| 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 | 46.7 | Very low | 41.8 | Very low | 204 Ų | 204 | 139.4 Ų | 139.4 | 100% | 1.005 | 67% | 0.666 | S | S | * | * | 0 | -52.5 | 0 | -92.7 | 177.3 | 175.6 | 0 | 0 | 113.6 | R3 V4 M5 | M1-R3 PolarHBondContact O-N 3Å; M1-V4 PolarHBondContact O-N 3.02Å; M1-V4 VanDerWaalsContact O-N 3.12Å; M1-M5 PolarHBondContact O-N 3.29Å | |||
| 2 | Y | 37.8 | Very low | 42.4 | Very low | 219 Ų | 219 | 135.4 Ų | 135.4 | 86% | 0.859 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -58.3 | -35.8 | -177.2 | -86.2 | -88.1 | 0 | 0 | 0 | 116.1 | V4 S6 | Y2-V4 PolarHBondContact O-N 3.03Å; Y2-S6 PolarHBondContact O-N 3.11Å |
| 3 | R | 41.1 | Very low | 42.8 | Very low | 231 Ų | 231 | 130 Ų | 130 | 87% | 0.872 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.5 | -25.7 | 176.4 | -85.4 | -176.5 | 175.5 | 177.6 | -1.1 | 114.5 | M1 | M1-R3 PolarHBondContact O-N 3Å |
| 4 | V | 43.3 | Very low | 43 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 58% | 0.576 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -81.4 | -36.4 | 179.8 | 179 | 0 | 0 | 0 | 0 | 110.6 | M1 Y2 L7 L8 | M1-V4 PolarHBondContact O-N 3.02Å; M1-V4 VanDerWaalsContact O-N 3.12Å; Y2-V4 PolarHBondContact O-N 3.03Å; V4-L7 PolarHBondContact O-N 3.49Å; V4-L8 HydrophobicContact CG1-CD1 4.06Å; V4-L8 PolarHBondContact O-N 3.23Å; V4-L8 VanDerWaalsContact O-N 3.14Å |
| 5 | M | 37.1 | Very low | 43.1 | Very low | 142 Ų | 142 | 124.9 Ų | 124.9 | 70% | 0.7 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.1 | -31.9 | 176.4 | -68.2 | -160.5 | 119.9 | 0 | 0 | 113.5 | M1 A9 | M1-M5 PolarHBondContact O-N 3.29Å; M5-A9 WeakPolarHBondContact O-CB 3.11Å; M5-A9 PolarHBondContact O-N 3.36Å; M5-A9 VanDerWaalsContact O-N 3.07Å |
| 6 | S | 41.6 | Very low | 43.2 | Very low | 65 Ų | 65 | 121.9 Ų | 121.9 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.5 | -34.3 | 173.4 | 177.3 | 0 | 0 | 0 | 0 | 113.1 | Y2 K10 | Y2-S6 PolarHBondContact O-N 3.11Å; S6-K10 PolarHBondContact O-N 3.28Å |
| 7 | L | 41.6 | Very low | 43.8 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 59% | 0.592 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.2 | -41 | 176.2 | -126.9 | 89.8 | 0 | 0 | 0 | 111.8 | V4 K10 Y11 | V4-L7 PolarHBondContact O-N 3.49Å; L7-K10 PolarHBondContact O-N 3.25Å; L7-Y11 PolarHBondContact O-N 3.4Å |
| 8 | L | 38 | Very low | 43.9 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 57% | 0.565 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.7 | -40.8 | 175.7 | -88.4 | 151.4 | 0 | 0 | 0 | 112.2 | V4 K10 Y11 T12 | V4-L8 HydrophobicContact CG1-CD1 4.06Å; V4-L8 PolarHBondContact O-N 3.23Å; V4-L8 VanDerWaalsContact O-N 3.14Å; L8-K10 PolarHBondContact O-N 3.34Å; L8-Y11 PolarHBondContact O-N 3.2Å; L8-T12 PolarHBondContact O-N 2.79Å; L8-T12 PolarHBondContact O-OG1 3.13Å |
| 9 | A | 45.1 | Very low | 43.9 | Very low | 58 Ų | 58 | 123.3 Ų | 123.3 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.8 | -33.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M5 T12 S13 | M5-A9 WeakPolarHBondContact O-CB 3.11Å; M5-A9 PolarHBondContact O-N 3.36Å; M5-A9 VanDerWaalsContact O-N 3.07Å; A9-T12 WeakPolarHBondContact CA-OG1 3.4Å; A9-T12 PolarHBondContact O-OG1 2.6Å; A9-S13 PolarHBondContact O-N 3.27Å |
| 10 | K | 44.9 | Very low | 43.8 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 60% | 0.6 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.9 | -37.1 | 173.4 | -74.4 | -177.8 | 179.5 | -176.1 | 0 | 112 | S6 L7 L8 S13 L14 | S6-K10 PolarHBondContact O-N 3.28Å; L7-K10 PolarHBondContact O-N 3.25Å; L8-K10 PolarHBondContact O-N 3.34Å; K10-S13 PolarHBondContact O-N 2.92Å; K10-L14 WeakPolarHBondContact O-CB 3.13Å; K10-L14 PolarHBondContact O-N 2.88Å |
| 11 | Y | 42.5 | Very low | 43.8 | Very low | 160 Ų | 160 | 122.6 Ų | 122.6 | 63% | 0.627 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.8 | -39.3 | 175.9 | -102.5 | -91.9 | 0 | 0 | 0 | 112.6 | L7 L8 C15 | L7-Y11 PolarHBondContact O-N 3.4Å; L8-Y11 PolarHBondContact O-N 3.2Å; Y11-C15 WeakPolarHBondContact O-CB 3Å; Y11-C15 PolarHBondContact O-N 3.27Å |
| 12 | T | 48.8 | Very low | 43.6 | Very low | 92 Ų | 92 | 115.6 Ų | 115.6 | 56% | 0.564 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.2 | -34.5 | 175.1 | 48.4 | 0 | 0 | 0 | 0 | 112.7 | L8 A9 S16 | L8-T12 PolarHBondContact O-N 2.79Å; L8-T12 PolarHBondContact O-OG1 3.13Å; A9-T12 WeakPolarHBondContact CA-OG1 3.4Å; A9-T12 PolarHBondContact O-OG1 2.6Å; T12-S16 WeakPolarHBondContact O-CB 3.16Å; T12-S16 PolarHBondContact O-N 3.04Å |
| 13 | S | 47.3 | Very low | 43.8 | Very low | 65 Ų | 65 | 112.1 Ų | 112.1 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.3 | -44 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 112 | A9 K10 S16 I17 | A9-S13 PolarHBondContact O-N 3.27Å; K10-S13 PolarHBondContact O-N 2.92Å; S13-S16 PolarHBondContact O-N 3.48Å; S13-I17 WeakPolarHBondContact O-CD1 3.48Å; S13-I17 VanDerWaalsContact O-CG1 3.27Å; S13-I17 WeakPolarHBondContact O-CG1 3.37Å; S13-I17 PolarHBondContact O-N 2.97Å |
| 14 | L | 46.4 | Very low | 44 | Very low | 112 Ų | 112 | 104.6 Ų | 104.6 | 59% | 0.586 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.8 | -42.2 | 174.6 | -79.2 | 159.7 | 0 | 0 | 0 | 112.2 | K10 S16 I17 Y18 | K10-L14 WeakPolarHBondContact O-CB 3.13Å; K10-L14 PolarHBondContact O-N 2.88Å; L14-S16 VanDerWaalsContact C-N 3.35Å; L14-S16 PolarHBondContact O-N 3.17Å; L14-I17 PolarHBondContact O-N 3.38Å; L14-Y18 VanDerWaalsContact O-CB 3.31Å; L14-Y18 WeakPolarHBondContact O-CB 3.42Å; L14-Y18 PolarHBondContact O-N 3.5Å |
| 15 | C | 44.6 | Very low | 43.7 | Very low | 72 Ų | 72 | 105.6 Ų | 105.6 | 49% | 0.486 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 173.4 | -93.3 | 0 | 0 | 0 | 0 | 112.3 | Y11 Y18 L19 | Y11-C15 WeakPolarHBondContact O-CB 3Å; Y11-C15 PolarHBondContact O-N 3.27Å; C15-Y18 PolarHBondContact O-N 3.02Å; C15-L19 VanDerWaalsContact O-CB 3.26Å; C15-L19 WeakPolarHBondContact O-CB 3.38Å; C15-L19 WeakPolarHBondContact O-CD1 3.36Å; C15-L19 PolarHBondContact O-N 3.13Å |
| 16 | S | 45.3 | Very low | 43.7 | Very low | 76 Ų | 76 | 105.1 Ų | 105.1 | 53% | 0.531 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 177.3 | -167.7 | 0 | 0 | 0 | 0 | 112 | T12 S13 L14 Y20 | T12-S16 WeakPolarHBondContact O-CB 3.16Å; T12-S16 PolarHBondContact O-N 3.04Å; S13-S16 PolarHBondContact O-N 3.48Å; L14-S16 VanDerWaalsContact C-N 3.35Å; L14-S16 PolarHBondContact O-N 3.17Å; S16-Y20 WeakPolarHBondContact O-CB 3.34Å; S16-Y20 PolarHBondContact O-N 3.28Å |
| 17 | I | 52.7 | Low | 43.5 | Very low | 96 Ų | 96 | 105.4 Ų | 105.4 | 49% | 0.492 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68 | -41.9 | 174.2 | -66.2 | 162.6 | 0 | 0 | 0 | 110.1 | S13 L14 Y20 V21 | S13-I17 WeakPolarHBondContact O-CD1 3.48Å; S13-I17 VanDerWaalsContact O-CG1 3.27Å; S13-I17 WeakPolarHBondContact O-CG1 3.37Å; S13-I17 PolarHBondContact O-N 2.97Å; L14-I17 PolarHBondContact O-N 3.38Å; I17-Y20 PolarHBondContact O-N 3.28Å; I17-V21 HydrophobicContact CG2-CG2 4.28Å; I17-V21 WeakPolarHBondContact O-CB 3.26Å; I17-V21 VanDerWaalsContact O-CG2 3.23Å; I17-V21 WeakPolarHBondContact O-CG2 3.49Å; I17-V21 PolarHBondContact O-N 3.12Å |
| 18 | Y | 44.8 | Very low | 43.5 | Very low | 175 Ų | 175 | 105.4 Ų | 105.4 | 69% | 0.686 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.3 | -42.8 | 178.3 | -142.5 | -91.7 | 0 | 0 | 0 | 111.7 | L14 C15 Y20 V21 V22 | L14-Y18 VanDerWaalsContact O-CB 3.31Å; L14-Y18 WeakPolarHBondContact O-CB 3.42Å; L14-Y18 PolarHBondContact O-N 3.5Å; C15-Y18 PolarHBondContact O-N 3.02Å; Y18-Y20 VanDerWaalsContact C-N 3.34Å; Y18-V21 PolarHBondContact O-N 3.14Å; Y18-V22 HydrophobicContact CD1-CG2 3.97Å; Y18-V22 HydrophobicContact CE1-CG2 4.18Å; Y18-V22 VanDerWaalsContact O-CB 3.23Å; Y18-V22 WeakPolarHBondContact O-CB 3.27Å; Y18-V22 WeakPolarHBondContact O-CG2 3.2Å; Y18-V22 PolarHBondContact O-N 3.36Å |
| 19 | L | 44.5 | Very low | 43.8 | Very low | 121 Ų | 121 | 109.8 Ų | 109.8 | 63% | 0.634 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.3 | -36.8 | 172.8 | -89 | 150.5 | 0 | 0 | 0 | 111.8 | C15 Y23 | C15-L19 VanDerWaalsContact O-CB 3.26Å; C15-L19 WeakPolarHBondContact O-CB 3.38Å; C15-L19 WeakPolarHBondContact O-CD1 3.36Å; C15-L19 PolarHBondContact O-N 3.13Å; L19-Y23 WeakPolarHBondContact O-CB 3.49Å; L19-Y23 PolarHBondContact O-N 3.25Å |
| 20 | Y | 42.7 | Very low | 43.6 | Very low | 160 Ų | 160 | 114.5 Ų | 114.5 | 63% | 0.627 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.6 | -39.6 | 177 | -156.8 | -98.3 | 0 | 0 | 0 | 112.2 | S16 I17 Y18 Y23 I24 | S16-Y20 WeakPolarHBondContact O-CB 3.34Å; S16-Y20 PolarHBondContact O-N 3.28Å; I17-Y20 PolarHBondContact O-N 3.28Å; Y18-Y20 VanDerWaalsContact C-N 3.34Å; Y20-Y23 PolarHBondContact O-N 3.35Å; Y20-I24 HydrophobicContact CD1-CD1 3.64Å; Y20-I24 HydrophobicContact CD1-CG1 4.33Å; Y20-I24 HydrophobicContact CE1-CD1 3.64Å; Y20-I24 HydrophobicContact CE1-CG1 4.36Å; Y20-I24 WeakPolarHBondContact O-CB 3.47Å; Y20-I24 VanDerWaalsContact O-CG1 3.28Å; Y20-I24 WeakPolarHBondContact O-CG1 3.46Å; Y20-I24 PolarHBondContact O-N 3.07Å |
| 21 | V | 43.3 | Very low | 43.5 | Very low | 73 Ų | 73 | 110.3 Ų | 110.3 | 44% | 0.442 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.9 | -43.3 | 173.9 | 171 | 0 | 0 | 0 | 0 | 110.7 | I17 Y18 Y23 I24 L25 | I17-V21 HydrophobicContact CG2-CG2 4.28Å; I17-V21 WeakPolarHBondContact O-CB 3.26Å; I17-V21 VanDerWaalsContact O-CG2 3.23Å; I17-V21 WeakPolarHBondContact O-CG2 3.49Å; I17-V21 PolarHBondContact O-N 3.12Å; Y18-V21 PolarHBondContact O-N 3.14Å; V21-Y23 VanDerWaalsContact C-N 3.34Å; V21-I24 PolarHBondContact O-N 3.29Å; V21-L25 HydrophobicContact CG1-CD1 3.95Å; V21-L25 WeakPolarHBondContact O-CB 3.28Å; V21-L25 VanDerWaalsContact O-CG 3.22Å; V21-L25 WeakPolarHBondContact O-CG 3.49Å; V21-L25 PolarHBondContact O-N 3.18Å |
| 22 | V | 42.8 | Very low | 43.9 | Very low | 57 Ų | 57 | 108 Ų | 108 | 35% | 0.345 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 174.7 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | Y18 L25 L26 | Y18-V22 HydrophobicContact CD1-CG2 3.97Å; Y18-V22 HydrophobicContact CE1-CG2 4.18Å; Y18-V22 VanDerWaalsContact O-CB 3.23Å; Y18-V22 WeakPolarHBondContact O-CB 3.27Å; Y18-V22 WeakPolarHBondContact O-CG2 3.2Å; Y18-V22 PolarHBondContact O-N 3.36Å; V22-L25 PolarHBondContact O-N 3.02Å; V22-L26 HydrophobicContact CG1-CD1 3.47Å; V22-L26 VanDerWaalsContact CG1-CD1 3.47Å; V22-L26 HydrophobicContact CG1-CG 4.32Å; V22-L26 VanDerWaalsContact O-CB 3.22Å; V22-L26 WeakPolarHBondContact O-CB 3.32Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 3.48Å |
| 23 | Y | 41.4 | Very low | 44.6 | Very low | 146 Ų | 146 | 107 Ų | 107 | 57% | 0.573 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71.1 | -35.3 | 174.9 | -172.9 | -95 | 0 | 0 | 0 | 112.8 | L19 Y20 V21 H27 | L19-Y23 WeakPolarHBondContact O-CB 3.49Å; L19-Y23 PolarHBondContact O-N 3.25Å; Y20-Y23 PolarHBondContact O-N 3.35Å; V21-Y23 VanDerWaalsContact C-N 3.34Å; Y23-H27 AromaticContact CD1-CD2 3.97Å; Y23-H27 AromaticContact CE1-CD2 3.4Å; Y23-H27 WeakPolarHBondContact CE1-CD2 3.22Å; Y23-H27 AromaticContact CE1-NE2 3.7Å; Y23-H27 AromaticContact CZ-CD2 3.88Å; Y23-H27 AromaticContact CZ-NE2 3.93Å; Y23-H27 WeakPolarHBondContact O-CB 3.05Å; Y23-H27 PolarHBondContact O-N 3.5Å |
| 24 | I | 44.6 | Very low | 45.7 | Very low | 73 Ų | 73 | 110.8 Ų | 110.8 | 37% | 0.374 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.7 | -43 | 170.4 | -72.1 | 168.5 | 0 | 0 | 0 | 110.4 | Y20 V21 L26 H27 Y30 | Y20-I24 HydrophobicContact CD1-CD1 3.64Å; Y20-I24 HydrophobicContact CD1-CG1 4.33Å; Y20-I24 HydrophobicContact CE1-CD1 3.64Å; Y20-I24 HydrophobicContact CE1-CG1 4.36Å; Y20-I24 WeakPolarHBondContact O-CB 3.47Å; Y20-I24 VanDerWaalsContact O-CG1 3.28Å; Y20-I24 WeakPolarHBondContact O-CG1 3.46Å; Y20-I24 PolarHBondContact O-N 3.07Å; V21-I24 PolarHBondContact O-N 3.29Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.32Å; I24-H27 PolarHBondContact O-N 3.35Å; I24-Y30 HydrophobicContact CG2-CD2 4.37Å; I24-Y30 WeakPolarHBondContact O-CB 3.34Å |
| 25 | L | 38 | Very low | 47.4 | Very low | 115 Ų | 115 | 107.3 Ų | 107.3 | 60% | 0.602 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.8 | -26.3 | 178.7 | -69.4 | 168.9 | 0 | 0 | 0 | 113.5 | V21 V22 | V21-L25 HydrophobicContact CG1-CD1 3.95Å; V21-L25 WeakPolarHBondContact O-CB 3.28Å; V21-L25 VanDerWaalsContact O-CG 3.22Å; V21-L25 WeakPolarHBondContact O-CG 3.49Å; V21-L25 PolarHBondContact O-N 3.18Å; V22-L25 PolarHBondContact O-N 3.02Å |
| 26 | L | 36.8 | Very low | 49.3 | Very low | 132 Ų | 132 | 108.4 Ų | 108.4 | 69% | 0.691 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -99.2 | -1.4 | 178.1 | -70.6 | 168.2 | 0 | 0 | 0 | 113.7 | V22 I24 | V22-L26 HydrophobicContact CG1-CD1 3.47Å; V22-L26 VanDerWaalsContact CG1-CD1 3.47Å; V22-L26 HydrophobicContact CG1-CG 4.32Å; V22-L26 VanDerWaalsContact O-CB 3.22Å; V22-L26 WeakPolarHBondContact O-CB 3.32Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 3.48Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.32Å |
| 27 | H | 37.4 | Very low | 51.4 | Low | 71 Ų | 71 | 107.1 Ų | 107.1 | 33% | 0.329 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -67.2 | 128.4 | 171.9 | -135.7 | -67.8 | 0 | 0 | 0 | 107.7 | Y23 I24 R29 Y30 A31 | Y23-H27 AromaticContact CD1-CD2 3.97Å; Y23-H27 AromaticContact CE1-CD2 3.4Å; Y23-H27 WeakPolarHBondContact CE1-CD2 3.22Å; Y23-H27 AromaticContact CE1-NE2 3.7Å; Y23-H27 AromaticContact CZ-CD2 3.88Å; Y23-H27 AromaticContact CZ-NE2 3.93Å; Y23-H27 WeakPolarHBondContact O-CB 3.05Å; Y23-H27 PolarHBondContact O-N 3.5Å; I24-H27 PolarHBondContact O-N 3.35Å; H27-R29 PolarHBondContact O-N 2.89Å; H27-Y30 HydrophobicContact CB-CD2 4.27Å; H27-Y30 PolarHBondContact O-N 3.23Å; H27-A31 PolarHBondContact O-N 3.42Å |
| 28 | P | 42.7 | Very low | 53.4 | Low | 114 Ų | 114 | 111.4 Ų | 111.4 | 74% | 0.74 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -2.7 | -177.8 | 20.4 | -31.8 | 0 | 0 | 0 | 114.6 | ||
| 29 | R | 42.9 | Very low | 55.8 | Low | 200 Ų | 200 | 107.5 Ų | 107.5 | 76% | 0.755 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -15.8 | 172 | -72.7 | -171.9 | 176.9 | 176.1 | 0.9 | 114.3 | H27 | H27-R29 PolarHBondContact O-N 2.89Š|
| 30 | Y | 41.5 | Very low | 58.3 | Low | 156 Ų | 156 | 102.3 Ų | 102.3 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | 1.9 | -179.1 | -62.9 | -73.6 | 0 | 0 | 0 | 113.4 | I24 H27 N32 | I24-Y30 HydrophobicContact CG2-CD2 4.37Å; I24-Y30 WeakPolarHBondContact O-CB 3.34Å; H27-Y30 HydrophobicContact CB-CD2 4.27Å; H27-Y30 PolarHBondContact O-N 3.23Å; Y30-N32 PolarHBondContact O-N 2.97Å |
| 31 | A | 42.8 | Very low | 60.8 | Low | 51 Ų | 51 | 97.3 Ų | 97.3 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -62.4 | 108.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107 | H27 V33 | H27-A31 PolarHBondContact O-N 3.42Å; A31-V33 VanDerWaalsContact C-N 3.26Å; A31-V33 PolarHBondContact O-N 2.96Å |
| 32 | N | 50.1 | Low | 63.2 | Low | 111 Ų | 111 | 102.8 Ų | 102.8 | 59% | 0.594 | 52% | 0.522 | S | S | * | . | trans | -57.6 | 98.1 | 167.3 | -76.1 | -32.9 | 0 | 0 | 0 | 106.7 | Y30 I34 | Y30-N32 PolarHBondContact O-N 2.97Å; N32-I34 PolarHBondContact O-N 3.49Å; N32-I34 VanDerWaalsContact O-N 3.13Å | ||
| 33 | V | 63.8 | Low | 65.5 | Low | 71 Ų | 71 | 100.4 Ų | 100.4 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | B | Isolated β-bridge | trans | -66 | 116.1 | 174.7 | 179.1 | 0 | 0 | 0 | 0 | 105 | A31 M35 F388 | A31-V33 VanDerWaalsContact C-N 3.26Å; A31-V33 PolarHBondContact O-N 2.96Å; V33-M35 PolarHBondContact O-N 3.29Å; V33-F388 WeakPolarHBondContact O-CA 3.28Å; V33-F388 WeakPolarHBondContact O-CB 3.11Å |
| 34 | I | 70.4 | Confident | 68.2 | Low | 145 Ų | 145 | 94.2 Ų | 94.2 | 74% | 0.744 | 49% | 0.485 | S | S | * | . | trans | -84.5 | 110.5 | 168.2 | -61.6 | 175.1 | 0 | 0 | 0 | 105.1 | N32 | N32-I34 PolarHBondContact O-N 3.49Å; N32-I34 VanDerWaalsContact O-N 3.13Å | ||
| 35 | M | 83.1 | Confident | 70.7 | Confident | 39 Ų | 39 | 94.3 Ų | 94.3 | 19% | 0.192 | 49% | 0.492 | C | S | . | . | trans | -85.2 | 129.3 | 176.1 | -163.6 | 172.7 | -171.6 | 0 | 0 | 108.3 | V33 S37 L386 F388 Y420 S421 L422 | V33-M35 PolarHBondContact O-N 3.29Å; M35-S37 PolarHBondContact O-N 3.42Å; M35-L386 HydrophobicContact CE-CD2 4.32Å; M35-L386 HydrophobicContact SD-CD2 3.97Å; M35-F388 HydrophobicContact CB-CB 3.97Å; M35-F388 HydrophobicContact CB-CD1 4.21Å; M35-F388 HydrophobicContact CB-CD2 3.97Å; M35-F388 HydrophobicContact CB-CE2 4.49Å; M35-F388 HydrophobicContact CB-CG 3.8Å; M35-F388 HydrophobicContact SD-CD1 3.84Å; M35-F388 HydrophobicContact SD-CE1 3.71Å; M35-F388 HydrophobicContact SD-CG 4.35Å; M35-F388 HydrophobicContact SD-CZ 4.1Å; M35-Y420 HydrophobicContact CB-CD1 3.83Å; M35-Y420 HydrophobicContact CB-CE1 4.14Å; M35-Y420 HydrophobicContact CG-CD1 3.89Å; M35-Y420 HydrophobicContact SD-CD1 4.01Å; M35-Y420 HydrophobicContact SD-CG 4.39Å; M35-S421 WeakPolarHBondContact CE-O 3.35Å; M35-L422 HydrophobicContact CE-CD2 4.26Å | ||
| 36 | A | 83.8 | Confident | 73.5 | Confident | 94 Ų | 94 | 89.6 Ų | 89.6 | 78% | 0.777 | 47% | 0.468 | S | S | * | . | trans | -64.4 | 124.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 37 | S | 90.2 | Very high | 76.4 | Confident | 50 Ų | 50 | 84.4 Ų | 84.4 | 35% | 0.35 | 44% | 0.442 | S | S | . | . | trans | -104.8 | 151.9 | 173.7 | 60.9 | 0 | 0 | 0 | 0 | 111.3 | M35 V419 | M35-S37 PolarHBondContact O-N 3.42Å; S37-V419 CarbonylContact C-O 3.58Å; S37-V419 VanDerWaalsContact CA-O 3.29Å; S37-V419 WeakPolarHBondContact CA-O 3.33Å | ||
| 38 | R | 94.3 | Very high | 79.3 | Confident | 186 Ų | 186 | 81 Ų | 81 | 70% | 0.702 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 130.8 | 161.5 | -63.5 | 179.2 | -175.2 | 162.9 | 4.8 | 107.7 | V419 | R38-V419 HydrophobicContact CB-CB 4.42Å; R38-V419 PolarHBondContact N-O 2.88Å; R38-V419 PolarHBondContact O-N 2.95Å |
| 39 | Q | 95.1 | Very high | 81.9 | Confident | 92 Ų | 92 | 77.5 Ų | 77.5 | 43% | 0.43 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.8 | 177.3 | -79 | -89.6 | -28.2 | 0 | 0 | 109.5 | L417 S418 | Q39-L417 CarbonylContact C-O 3.55Å; Q39-L417 WeakPolarHBondContact CA-O 3.43Å; Q39-S418 PolarHBondContact NE2-OG 2.82Å |
| 40 | W | 97.1 | Very high | 84.6 | Confident | 13 Ų | 13 | 68 Ų | 68 | 5% | 0.049 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.7 | 169.2 | -58.2 | -7.9 | 0 | 0 | 0 | 107.7 | L61 W73 N74 G77 L402 N416 L417 V419 | W40-L61 HydrophobicContact CH2-CD1 4.01Å; W40-L61 HydrophobicContact CH2-CD2 4.37Å; W40-L61 HydrophobicContact CZ3-CD1 4.12Å; W40-L61 HydrophobicContact CZ3-CD2 4.06Å; W40-L61 HydrophobicContact CZ3-CG 4.47Å; W40-W73 HydrophobicContact CB-CE3 4.16Å; W40-W73 HydrophobicContact CB-CH2 4.24Å; W40-W73 HydrophobicContact CB-CZ3 3.8Å; W40-W73 HydrophobicContact CE3-CB 4.22Å; W40-W73 HydrophobicContact CE3-CD2 4.13Å; W40-W73 HydrophobicContact CE3-CE3 4.17Å; W40-W73 HydrophobicContact CE3-CG 4.18Å; W40-W73 HydrophobicContact CZ3-CB 3.93Å; W40-W73 HydrophobicContact CZ3-CG 4.27Å; W40-N74 WeakPolarHBondContact CH2-O 3.48Å; W40-G77 VanDerWaalsContact CG-CA 3.47Å; W40-G77 VanDerWaalsContact CZ2-N 3.29Å; W40-L402 HydrophobicContact CH2-CD1 4.07Å; W40-L402 HydrophobicContact CH2-CD2 4.04Å; W40-L402 HydrophobicContact CZ2-CD1 3.94Å; W40-N416 WeakPolarHBondContact O-CA 3.39Å; W40-L417 HydrophobicContact CB-CB 4.19Å; W40-L417 HydrophobicContact CE3-CD1 4.19Å; W40-L417 PolarHBondContact N-O 3.29Å; W40-L417 PolarHBondContact O-N 2.7Å; W40-V419 HydrophobicContact CD2-CG2 3.7Å; W40-V419 VanDerWaalsContact CE2-CG2 3.41Å; W40-V419 HydrophobicContact CE3-CG2 4.27Å; W40-V419 HydrophobicContact CG-CG2 4.15Å; W40-V419 HydrophobicContact CH2-CG2 4.35Å; W40-V419 HydrophobicContact CZ2-CG2 3.79Å |
| 41 | C | 95.6 | Very high | 87.3 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 37% | 0.365 | 34% | 0.338 | S | S | . | . | trans | -123.1 | 179.2 | -169.9 | -58.6 | 0 | 0 | 0 | 0 | 110.6 | G43 W73 N416 | C41-G43 PolarHBondContact O-N 2.94Å; C41-G43 VanDerWaalsContact O-N 3.08Å; C41-W73 WeakPolarHBondContact O-CZ3 3.42Å; C41-N416 WeakPolarHBondContact CA-OD1 3.41Å; C41-N416 WeakPolarHBondContact CB-OD1 3.28Å; C41-N416 PolarHBondContact SG-OD1 3.39Å | ||
| 42 | E | 93.3 | Very high | 89.8 | Confident | 188 Ų | 188 | 58.7 Ų | 58.7 | 88% | 0.879 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 64.4 | 9 | 174.7 | -51.6 | -173 | 155.5 | 0 | 0 | 115.1 | ||
| 43 | G | 91.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 55 Ų | 55 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -88.7 | -28.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | C41 T71 W73 | C41-G43 PolarHBondContact O-N 2.94Å; C41-G43 VanDerWaalsContact O-N 3.08Å; G43-T71 PolarHBondContact O-OG1 2.79Å; G43-W73 VanDerWaalsContact CA-CH2 3.49Å |
| 44 | H | 96.7 | Very high | 93.3 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | trans | -140 | 158.6 | -176.8 | -61.5 | -72.2 | 0 | 0 | 0 | 111.3 | V48 S63 S65 E69 P415 | H44-V48 HydrophobicContact CB-CG2 4.43Å; H44-V48 VanDerWaalsContact CD2-CG2 3.43Å; H44-V48 WeakPolarHBondContact CD2-CG2 3.49Å; H44-S63 PolarHBondContact CE1-O 3.05Å; H44-S63 PolarHBondContact NE2-O 3.39Å; H44-S63 PolarHBondContact NE2-OG 3.44Å; H44-S65 PolarHBondContact ND1-OG 2.92Å; H44-E69 WeakPolarHBondContact CA-OE2 3.31Å; H44-E69 PolarHBondContact CE1-O 2.84Å; H44-P415 HydrophobicContact CB-CB 4.1Å; H44-P415 WeakPolarHBondContact O-CB 3.49Å | ||
| 45 | S | 96.8 | Very high | 93.6 | Very high | 74 Ų | 74 | 49.7 Ų | 49.7 | 52% | 0.517 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -102.8 | -16.7 | 173.7 | 57.7 | 0 | 0 | 0 | 0 | 113 | E69 R84 | S45-E69 PolarHBondContact N-OE2 3.27Å; S45-E69 VanDerWaalsContact OG-CD 3.27Å; S45-E69 PolarHBondContact OG-OE1 2.79Å; S45-E69 PolarHBondContact OG-OE2 2.95Å; S45-R84 PolarHBondContact OG-NH2 3.39Å |
| 46 | T | 97.4 | Very high | 93 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 10% | 0.104 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -128.8 | 165.8 | -175.6 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | V48 S65 E66 E67 P415 | T46-V48 PolarHBondContact O-N 2.89Å; T46-S65 WeakPolarHBondContact OG1-CB 3.32Å; T46-S65 PolarHBondContact OG1-OG 2.86Å; T46-E66 PolarHBondContact OG1-O 3.38Å; T46-E67 HydrophobicContact CG2-CB 4.48Å; T46-E67 HydrophobicContact CG2-CG 4.03Å; T46-P415 VanDerWaalsContact O-CA 3.24Å; T46-P415 WeakPolarHBondContact O-CA 3.26Å; T46-P415 VanDerWaalsContact O-CB 3.32Å; T46-P415 WeakPolarHBondContact O-CB 3.25Å |
| 47 | P | 97.8 | Very high | 92.2 | Very high | 23 Ų | 23 | 51.1 Ų | 51.1 | 15% | 0.149 | 31% | 0.309 | C | S | . | . | trans | -51.1 | 137.5 | -178.7 | -27.5 | 34.9 | 0 | 0 | 0 | 113.8 | S65 E66 Q413 S414 | P47-S65 VanDerWaalsContact O-CA 3.23Å; P47-S65 WeakPolarHBondContact O-CA 3.47Å; P47-S65 VanDerWaalsContact O-CB 3.26Å; P47-S65 WeakPolarHBondContact O-CB 3.35Å; P47-E66 WeakPolarHBondContact CD-OE2 3.35Å; P47-E66 PolarHBondContact O-N 3.3Å; P47-E66 VanDerWaalsContact O-N 3.13Å; P47-Q413 WeakPolarHBondContact CG-O 3.49Å; P47-S414 WeakPolarHBondContact CA-O 3.2Å | ||
| 48 | V | 98.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 125 | 176.1 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | H44 T46 V51 G64 N395 A411 S414 L417 | H44-V48 HydrophobicContact CB-CG2 4.43Å; H44-V48 VanDerWaalsContact CD2-CG2 3.43Å; H44-V48 WeakPolarHBondContact CD2-CG2 3.49Å; T46-V48 PolarHBondContact O-N 2.89Å; V48-V51 HydrophobicContact CG1-CG2 4.21Å; V48-G64 WeakPolarHBondContact CG1-O 3.4Å; V48-N395 PolarHBondContact O-ND2 2.8Å; V48-A411 HydrophobicContact CB-CB 3.89Å; V48-A411 HydrophobicContact CG1-CB 3.88Å; V48-S414 PolarHBondContact N-O 3.35Å; V48-L417 HydrophobicContact CB-CD2 4.3Å; V48-L417 HydrophobicContact CG1-CD2 3.89Å; V48-L417 HydrophobicContact CG2-CD2 4.36Å |
| 49 | L | 98.2 | Very high | 91 | Very high | 40 Ų | 40 | 44.4 Ų | 44.4 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -33.2 | -175.7 | -61.2 | 178.8 | 0 | 0 | 0 | 112.3 | G64 E66 D90 V91 W396 | L49-G64 PolarHBondContact N-O 2.94Å; L49-E66 HydrophobicContact CD1-CG 3.84Å; L49-E66 HydrophobicContact CD2-CG 3.99Å; L49-E66 HydrophobicContact CG-CG 4.04Å; L49-D90 HydrophobicContact CD1-CB 3.76Å; L49-V91 WeakPolarHBondContact CB-O 3.31Å; L49-W396 VanDerWaalsContact O-CE3 3.31Å |
| 50 | C | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 154.6 | -178.2 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | S63 G64 V91 T92 S93 W396 | C50-S63 VanDerWaalsContact O-CA 3.23Å; C50-S63 WeakPolarHBondContact O-CA 3.32Å; C50-G64 PolarHBondContact N-O 3.46Å; C50-G64 PolarHBondContact O-N 2.92Å; C50-G64 VanDerWaalsContact O-N 3.1Å; C50-V91 PolarHBondContact SG-O 3.32Å; C50-T92 WeakPolarHBondContact CB-O 3.23Å; C50-S93 VanDerWaalsContact SG-C 3.56Å; C50-S93 VanDerWaalsContact SG-CA 3.55Å; C50-S93 PolarHBondContact SG-N 2.85Å; C50-W396 HydrophobicContact CB-CD2 4.27Å; C50-W396 HydrophobicContact CB-CE3 4.1Å; C50-W396 HydrophobicContact CB-CH2 4.43Å; C50-W396 HydrophobicContact CB-CZ3 4.18Å |
| 51 | V | 98.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 123.5 | 173.3 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | V48 L61 A62 W396 C398 V409 A411 L417 | V48-V51 HydrophobicContact CG1-CG2 4.21Å; V51-L61 HydrophobicContact CG1-CD2 4.34Å; V51-A62 CarbonylContact C-O 3.56Å; V51-A62 WeakPolarHBondContact CA-O 3.33Å; V51-W396 PolarHBondContact O-NE1 3.05Å; V51-C398 HydrophobicContact CB-CB 3.87Å; V51-C398 HydrophobicContact CG1-CB 3.85Å; V51-V409 HydrophobicContact CG1-CG1 4.17Å; V51-A411 HydrophobicContact CG2-CB 4.21Å; V51-L417 HydrophobicContact CG2-CD2 3.57Å |
| 52 | G | 96.3 | Very high | 91 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 147.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L61 A62 A94 F96 | G52-L61 WeakPolarHBondContact O-CA 3.27Å; G52-A62 PolarHBondContact N-O 2.8Å; G52-A62 PolarHBondContact O-N 3.13Å; G52-A94 WeakPolarHBondContact CA-O 3.22Å; G52-F96 WeakPolarHBondContact O-CE2 3.49Å |
| 53 | A | 94.4 | Very high | 91.2 | Very high | 33 Ų | 33 | 28.5 Ų | 28.5 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 141.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L61 F96 T400 | A53-L61 HydrophobicContact CB-CG 4.34Å; A53-F96 VanDerWaalsContact C-CD2 3.41Å; A53-T400 WeakPolarHBondContact CB-OG1 3.45Å |
| 54 | S | 92.2 | Very high | 91.6 | Very high | 12 Ų | 12 | 28.1 Ų | 28.1 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | trans | -87 | 131.3 | 175.8 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | G56 L60 | S54-G56 PolarHBondContact O-N 3.05Å; S54-L60 WeakPolarHBondContact CB-O 3.37Å; S54-L60 PolarHBondContact N-O 3.48Å | ||
| 55 | G | 77.4 | Confident | 91.6 | Very high | 94 Ų | 94 | 27.3 Ų | 27.3 | 97% | 0.969 | 20% | 0.195 | S | C | * | . | trans | -79.5 | 10.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 56 | G | 71.1 | Confident | 91.6 | Very high | 26 Ų | 26 | 27 Ų | 27 | 27% | 0.268 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -96.4 | 173.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S54 E58 G59 | S54-G56 PolarHBondContact O-N 3.05Å; G56-E58 PolarHBondContact O-N 3.16Å; G56-G59 PolarHBondContact O-N 3.33Å |
| 57 | P | 66.6 | Low | 91.6 | Very high | 136 Ų | 136 | 30.7 Ų | 30.7 | 88% | 0.883 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -23.5 | -177.5 | 26.3 | -35 | 0 | 0 | 0 | 114 | G59 | P57-G59 VanDerWaalsContact C-N 3.29Š|
| 58 | E | 74.7 | Confident | 91.4 | Very high | 88 Ų | 88 | 29.6 Ų | 29.6 | 41% | 0.411 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -25.7 | 173.7 | -66.8 | -175.3 | 174.3 | 0 | 0 | 112.1 | G56 L60 Q75 R118 | G56-E58 PolarHBondContact O-N 3.16Å; E58-L60 VanDerWaalsContact C-N 3.27Å; E58-L60 HydrophobicContact CB-CG 4.14Å; E58-L60 PolarHBondContact O-N 3.33Å; E58-Q75 PolarHBondContact O-NE2 3.49Å; E58-R118 IonicContact OE1-CZ 3.29Å; E58-R118 VanDerWaalsContact OE1-CZ 3.28Å; E58-R118 IonicContact OE1-NE 2.75Å; E58-R118 PolarHBondContact OE1-NE 3.26Å; E58-R118 IonicContact OE1-NH2 2.6Å; E58-R118 PolarHBondContact OE1-NH2 2.78Å; E58-R118 IonicContact OE2-CZ 3.31Å; E58-R118 VanDerWaalsContact OE2-CZ 3.22Å; E58-R118 IonicContact OE2-NE 2.9Å; E58-R118 PolarHBondContact OE2-NE 3.02Å; E58-R118 IonicContact OE2-NH2 3.06Å; E58-R118 PolarHBondContact OE2-NH2 3.05Å |
| 59 | G | 84.6 | Confident | 91.4 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | trans | 48.2 | 45.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G56 P57 L61 Q75 | G56-G59 PolarHBondContact O-N 3.33Å; P57-G59 VanDerWaalsContact C-N 3.29Å; G59-L61 WeakPolarHBondContact O-CD1 3.35Å; G59-Q75 WeakPolarHBondContact O-CG 3.41Å | ||
| 60 | L | 93.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 29.2 Ų | 29.2 | 7% | 0.068 | 19% | 0.192 | C | C | . | . | trans | -66.7 | 146.7 | 175.7 | -59.8 | 178.6 | 0 | 0 | 0 | 110.6 | S54 E58 V72 L80 F96 P117 | S54-L60 WeakPolarHBondContact CB-O 3.37Å; S54-L60 PolarHBondContact N-O 3.48Å; E58-L60 VanDerWaalsContact C-N 3.27Å; E58-L60 HydrophobicContact CB-CG 4.14Å; E58-L60 PolarHBondContact O-N 3.33Å; L60-V72 HydrophobicContact CD2-CG1 4.47Å; L60-L80 HydrophobicContact CD2-CD1 3.63Å; L60-F96 HydrophobicContact CB-CE1 4.11Å; L60-F96 HydrophobicContact CB-CZ 4Å; L60-P117 HydrophobicContact CD1-CB 4.12Å; L60-P117 HydrophobicContact CD1-CG 4.12Å | ||
| 61 | L | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 148.2 | 166.8 | -67.7 | 90.1 | 0 | 0 | 0 | 109.2 | W40 V51 G52 A53 G59 V72 W73 T400 L402 V409 | W40-L61 HydrophobicContact CH2-CD1 4.01Å; W40-L61 HydrophobicContact CH2-CD2 4.37Å; W40-L61 HydrophobicContact CZ3-CD1 4.12Å; W40-L61 HydrophobicContact CZ3-CD2 4.06Å; W40-L61 HydrophobicContact CZ3-CG 4.47Å; V51-L61 HydrophobicContact CG1-CD2 4.34Å; G52-L61 WeakPolarHBondContact O-CA 3.27Å; A53-L61 HydrophobicContact CB-CG 4.34Å; G59-L61 WeakPolarHBondContact O-CD1 3.35Å; L61-V72 CarbonylContact O-C 3.57Å; L61-V72 VanDerWaalsContact O-CA 3.3Å; L61-V72 WeakPolarHBondContact O-CA 3.22Å; L61-W73 HydrophobicContact CB-CB 4.3Å; L61-W73 PolarHBondContact N-O 3.06Å; L61-W73 VanDerWaalsContact N-O 3.08Å; L61-W73 PolarHBondContact O-N 3.44Å; L61-T400 HydrophobicContact CD2-CG2 4.21Å; L61-L402 HydrophobicContact CD1-CD2 3.56Å; L61-L402 HydrophobicContact CD2-CD2 4.39Å; L61-V409 HydrophobicContact CD2-CB 4.41Å; L61-V409 HydrophobicContact CD2-CG2 3.71Å |
| 62 | A | 97.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | V51 G52 T71 V72 F96 L104 | V51-A62 CarbonylContact C-O 3.56Å; V51-A62 WeakPolarHBondContact CA-O 3.33Å; G52-A62 PolarHBondContact N-O 2.8Å; G52-A62 PolarHBondContact O-N 3.13Å; A62-T71 CarbonylContact C-O 3.6Å; A62-T71 WeakPolarHBondContact CA-O 3.4Å; A62-V72 HydrophobicContact CB-CG2 4.39Å; A62-F96 HydrophobicContact CB-CE2 3.63Å; A62-F96 HydrophobicContact CB-CZ 3.62Å; A62-L104 HydrophobicContact CB-CD1 3.73Å; A62-L104 HydrophobicContact CB-CD2 3.52Å; A62-L104 HydrophobicContact CB-CG 4.28Å |
| 63 | S | 98.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 142.2 | 176.9 | 53.8 | 0 | 0 | 0 | 0 | 109.8 | H44 C50 V70 T71 W73 | H44-S63 PolarHBondContact CE1-O 3.05Å; H44-S63 PolarHBondContact NE2-O 3.39Å; H44-S63 PolarHBondContact NE2-OG 3.44Å; C50-S63 VanDerWaalsContact O-CA 3.23Å; C50-S63 WeakPolarHBondContact O-CA 3.32Å; S63-V70 WeakPolarHBondContact O-CA 3.41Å; S63-T71 PolarHBondContact N-O 2.77Å; S63-T71 PolarHBondContact O-N 3.05Å; S63-T71 PolarHBondContact OG-O 3.07Å; S63-W73 PolarHBondContact OG-NE1 2.97Å |
| 64 | G | 98.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 143.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V48 L49 C50 E69 V91 | V48-G64 WeakPolarHBondContact CG1-O 3.4Å; L49-G64 PolarHBondContact N-O 2.94Å; C50-G64 PolarHBondContact N-O 3.46Å; C50-G64 PolarHBondContact O-N 2.92Å; C50-G64 VanDerWaalsContact O-N 3.1Å; G64-E69 WeakPolarHBondContact CA-O 3.47Å; G64-V91 VanDerWaalsContact CA-CG1 3.49Å |
| 65 | S | 98.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 176.3 | 178.9 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | H44 T46 P47 E69 V91 | H44-S65 PolarHBondContact ND1-OG 2.92Å; T46-S65 WeakPolarHBondContact OG1-CB 3.32Å; T46-S65 PolarHBondContact OG1-OG 2.86Å; P47-S65 VanDerWaalsContact O-CA 3.23Å; P47-S65 WeakPolarHBondContact O-CA 3.47Å; P47-S65 VanDerWaalsContact O-CB 3.26Å; P47-S65 WeakPolarHBondContact O-CB 3.35Å; S65-E69 PolarHBondContact N-O 2.83Å; S65-E69 VanDerWaalsContact OG-CB 3.26Å; S65-E69 WeakPolarHBondContact OG-CB 3.31Å; S65-E69 PolarHBondContact OG-O 2.87Å; S65-V91 PolarHBondContact O-N 3.13Å |
| 66 | E | 97.1 | Very high | 92 | Very high | 68 Ų | 68 | 29.2 Ų | 29.2 | 32% | 0.318 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -57.2 | 155.9 | 159.9 | -62.2 | 174.5 | -177.7 | 0 | 0 | 110.6 | T46 P47 L49 G68 D90 | T46-E66 PolarHBondContact OG1-O 3.38Å; P47-E66 WeakPolarHBondContact CD-OE2 3.35Å; P47-E66 PolarHBondContact O-N 3.3Å; P47-E66 VanDerWaalsContact O-N 3.13Å; L49-E66 HydrophobicContact CD1-CG 3.84Å; L49-E66 HydrophobicContact CD2-CG 3.99Å; L49-E66 HydrophobicContact CG-CG 4.04Å; E66-G68 PolarHBondContact O-N 3.12Å; E66-D90 WeakPolarHBondContact CA-OD1 3.15Å |
| 67 | E | 95.6 | Very high | 93.1 | Very high | 93 Ų | 93 | 28.7 Ų | 28.7 | 44% | 0.435 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | 62.2 | 21.4 | -178.3 | -53.2 | -170.9 | 174.3 | 0 | 0 | 116.1 | T46 E69 R84 G88 D90 | T46-E67 HydrophobicContact CG2-CB 4.48Å; T46-E67 HydrophobicContact CG2-CG 4.03Å; E67-E69 PolarHBondContact O-N 2.81Å; E67-R84 IonicContact OE2-CZ 3.65Å; E67-R84 IonicContact OE2-NH1 2.84Å; E67-R84 PolarHBondContact OE2-NH1 2.91Å; E67-R84 IonicContact OE2-NH2 3.53Å; E67-G88 CarbonylContact C-O 3.51Å; E67-G88 WeakPolarHBondContact CA-O 3.23Å; E67-D90 PolarHBondContact N-OD1 2.95Å |
| 68 | G | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | 81.7 | 12.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | E66 L85 D89 | E66-G68 PolarHBondContact O-N 3.12Å; G68-L85 PolarHBondContact O-N 3.18Å; G68-D89 WeakPolarHBondContact CA-O 3.23Å; G68-D89 PolarHBondContact N-O 2.92Å; G68-D89 VanDerWaalsContact N-O 3.16Å |
| 69 | E | 97 | Very high | 95.5 | Very high | 33 Ų | 33 | 24.1 Ų | 24.1 | 15% | 0.154 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 131 | 178.7 | -43.5 | -167.8 | 124.4 | 0 | 0 | 111.5 | H44 S45 G64 S65 E67 R84 | H44-E69 WeakPolarHBondContact CA-OE2 3.31Å; H44-E69 PolarHBondContact CE1-O 2.84Å; S45-E69 PolarHBondContact N-OE2 3.27Å; S45-E69 VanDerWaalsContact OG-CD 3.27Å; S45-E69 PolarHBondContact OG-OE1 2.79Å; S45-E69 PolarHBondContact OG-OE2 2.95Å; G64-E69 WeakPolarHBondContact CA-O 3.47Å; S65-E69 PolarHBondContact N-O 2.83Å; S65-E69 VanDerWaalsContact OG-CB 3.26Å; S65-E69 WeakPolarHBondContact OG-CB 3.31Å; S65-E69 PolarHBondContact OG-O 2.87Å; E67-E69 PolarHBondContact O-N 2.81Å; E69-R84 VanDerWaalsContact CD-NH2 3.29Å; E69-R84 HydrophobicContact CG-CG 4.45Å; E69-R84 IonicContact OE1-CZ 3.37Å; E69-R84 IonicContact OE1-NE 3.29Å; E69-R84 PolarHBondContact OE1-NE 3Å; E69-R84 IonicContact OE1-NH2 2.7Å; E69-R84 PolarHBondContact OE1-NH2 2.72Å; E69-R84 IonicContact OE2-NH2 4Å |
| 70 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125 | 175.6 | -176.3 | 0 | 0 | 0 | 0 | 108 | S63 S82 L83 L85 V91 L104 V106 L115 | S63-V70 WeakPolarHBondContact O-CA 3.41Å; V70-S82 CarbonylContact O-C 3.6Å; V70-S82 VanDerWaalsContact O-CA 3.25Å; V70-S82 WeakPolarHBondContact O-CA 3.32Å; V70-L83 PolarHBondContact N-O 3.16Å; V70-L83 PolarHBondContact O-N 3.27Å; V70-L85 HydrophobicContact CG2-CD1 4.01Å; V70-L85 HydrophobicContact CG2-CG 4.14Å; V70-V91 HydrophobicContact CG2-CG1 4.34Å; V70-V91 HydrophobicContact CG2-CG2 3.9Å; V70-L104 HydrophobicContact CG1-CD2 4.39Å; V70-V106 HydrophobicContact CG1-CG2 4.3Å; V70-V106 HydrophobicContact CG2-CG1 3.8Å; V70-L115 HydrophobicContact CB-CD1 4.49Å; V70-L115 HydrophobicContact CG1-CD1 4.01Å |
| 71 | T | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 134.1 | 179.8 | -68.4 | 0 | 0 | 0 | 0 | 111 | G43 A62 S63 W73 V79 S82 | G43-T71 PolarHBondContact O-OG1 2.79Å; A62-T71 CarbonylContact C-O 3.6Å; A62-T71 WeakPolarHBondContact CA-O 3.4Å; S63-T71 PolarHBondContact N-O 2.77Å; S63-T71 PolarHBondContact O-N 3.05Å; S63-T71 PolarHBondContact OG-O 3.07Å; T71-W73 HydrophobicContact CG2-CD2 4.06Å; T71-W73 HydrophobicContact CG2-CH2 4.39Å; T71-W73 HydrophobicContact CG2-CZ2 3.72Å; T71-V79 HydrophobicContact CG2-CB 4.4Å; T71-V79 HydrophobicContact CG2-CG1 3.82Å; T71-V79 HydrophobicContact CG2-CG2 3.96Å; T71-S82 WeakPolarHBondContact CG2-OG 3.41Å; T71-S82 WeakPolarHBondContact OG1-CB 3.28Å; T71-S82 PolarHBondContact OG1-OG 3.11Å |
| 72 | V | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 109.6 | L60 L61 A62 L80 A81 L104 P117 L120 | L60-V72 HydrophobicContact CD2-CG1 4.47Å; L61-V72 CarbonylContact O-C 3.57Å; L61-V72 VanDerWaalsContact O-CA 3.3Å; L61-V72 WeakPolarHBondContact O-CA 3.22Å; A62-V72 HydrophobicContact CB-CG2 4.39Å; V72-L80 HydrophobicContact CG1-CB 4.47Å; V72-L80 HydrophobicContact CG1-CD1 4.4Å; V72-L80 PolarHBondContact O-N 3Å; V72-A81 PolarHBondContact N-O 3.4Å; V72-A81 PolarHBondContact O-N 3.13Å; V72-L104 HydrophobicContact CG2-CD2 4.36Å; V72-P117 HydrophobicContact CG1-CB 4.3Å; V72-P117 HydrophobicContact CG2-CB 3.98Å; V72-L120 HydrophobicContact CB-CD1 4.07Å; V72-L120 HydrophobicContact CG2-CD1 3.62Å; V72-L120 HydrophobicContact CG2-CG 4.36Å |
| 73 | W | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 149.7 | -175.6 | -45.7 | 79.8 | 0 | 0 | 0 | 110.7 | W40 C41 G43 L61 S63 T71 T78 V79 L417 | W40-W73 HydrophobicContact CB-CE3 4.16Å; W40-W73 HydrophobicContact CB-CH2 4.24Å; W40-W73 HydrophobicContact CB-CZ3 3.8Å; W40-W73 HydrophobicContact CE3-CB 4.22Å; W40-W73 HydrophobicContact CE3-CD2 4.13Å; W40-W73 HydrophobicContact CE3-CE3 4.17Å; W40-W73 HydrophobicContact CE3-CG 4.18Å; W40-W73 HydrophobicContact CZ3-CB 3.93Å; W40-W73 HydrophobicContact CZ3-CG 4.27Å; C41-W73 WeakPolarHBondContact O-CZ3 3.42Å; G43-W73 VanDerWaalsContact CA-CH2 3.49Å; L61-W73 HydrophobicContact CB-CB 4.3Å; L61-W73 PolarHBondContact N-O 3.06Å; L61-W73 VanDerWaalsContact N-O 3.08Å; L61-W73 PolarHBondContact O-N 3.44Å; S63-W73 PolarHBondContact OG-NE1 2.97Å; T71-W73 HydrophobicContact CG2-CD2 4.06Å; T71-W73 HydrophobicContact CG2-CH2 4.39Å; T71-W73 HydrophobicContact CG2-CZ2 3.72Å; W73-T78 WeakPolarHBondContact CA-O 3.29Å; W73-V79 HydrophobicContact CD2-CG2 4.45Å; W73-V79 HydrophobicContact CE3-CG2 3.73Å; W73-V79 HydrophobicContact CH2-CG2 3.86Å; W73-V79 HydrophobicContact CZ3-CG2 3.39Å; W73-L417 HydrophobicContact CZ2-CD1 4.08Å |
| 74 | N | 93.9 | Very high | 95.7 | Very high | 29 Ų | 29 | 39 Ų | 39 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | trans | -80.9 | 178.9 | 161 | 67.7 | 10.9 | 0 | 0 | 0 | 111 | W40 E76 G77 T78 L80 | W40-N74 WeakPolarHBondContact CH2-O 3.48Å; N74-E76 VanDerWaalsContact CB-OE2 3.31Å; N74-E76 WeakPolarHBondContact CB-OE2 3.48Å; N74-E76 PolarHBondContact ND2-OE2 2.95Å; N74-E76 PolarHBondContact O-N 3.4Å; N74-E76 WeakPolarHBondContact OD1-CA 3.39Å; N74-E76 WeakPolarHBondContact OD1-CB 3.21Å; N74-E76 PolarHBondContact OD1-N 2.85Å; N74-E76 VanDerWaalsContact OD1-N 3.08Å; N74-E76 PolarHBondContact OD1-OE2 3Å; N74-G77 PolarHBondContact O-N 2.79Å; N74-G77 PolarHBondContact OD1-N 2.84Å; N74-T78 PolarHBondContact N-O 3.41Å; N74-T78 VanDerWaalsContact N-O 3.08Å; N74-T78 VanDerWaalsContact ND2-CB 3.27Å; N74-T78 WeakPolarHBondContact ND2-CB 3.12Å; N74-T78 PolarHBondContact ND2-OG1 2.99Å; N74-T78 WeakPolarHBondContact OD1-CA 3.35Å; N74-T78 WeakPolarHBondContact OD1-CB 3.37Å; N74-T78 PolarHBondContact OD1-N 3.45Å; N74-T78 PolarHBondContact OD1-O 2.82Å; N74-T78 PolarHBondContact OD1-OG1 2.87Å; N74-L80 HydrophobicContact CB-CD1 3.98Å; N74-L80 HydrophobicContact CB-CD2 4.08Å; N74-L80 HydrophobicContact CB-CG 4.06Å | ||
| 75 | Q | 92.9 | Very high | 95.6 | Very high | 37 Ų | 37 | 39.3 Ų | 39.3 | 17% | 0.173 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -9.3 | -178.2 | -61.3 | 175.1 | 31.8 | 0 | 0 | 113.2 | E58 G59 L402 R403 | E58-Q75 PolarHBondContact O-NE2 3.49Å; G59-Q75 WeakPolarHBondContact O-CG 3.41Å; Q75-L402 HydrophobicContact CB-CD2 4.34Å; Q75-R403 HydrophobicContact CB-CG 4.06Å |
| 76 | E | 92.6 | Very high | 95.2 | Very high | 84 Ų | 84 | 45.3 Ų | 45.3 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -11.6 | 178.2 | -61.7 | 73.9 | -157.9 | 0 | 0 | 113.4 | N74 R403 | N74-E76 VanDerWaalsContact CB-OE2 3.31Å; N74-E76 WeakPolarHBondContact CB-OE2 3.48Å; N74-E76 PolarHBondContact ND2-OE2 2.95Å; N74-E76 PolarHBondContact O-N 3.4Å; N74-E76 WeakPolarHBondContact OD1-CA 3.39Å; N74-E76 WeakPolarHBondContact OD1-CB 3.21Å; N74-E76 PolarHBondContact OD1-N 2.85Å; N74-E76 VanDerWaalsContact OD1-N 3.08Å; N74-E76 PolarHBondContact OD1-OE2 3Å; E76-R403 VanDerWaalsContact CG-CZ 3.48Å; E76-R403 IonicContact OE1-CZ 3.37Å; E76-R403 IonicContact OE1-NE 3.72Å; E76-R403 PolarHBondContact OE1-NE 2.83Å; E76-R403 IonicContact OE1-NH2 3.99Å; E76-R403 PolarHBondContact OE1-NH2 2.85Å |
| 77 | G | 93.5 | Very high | 94.9 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 14% | 0.144 | 25% | 0.25 | C | C | . | . | S | Bend | trans | 84.6 | 18.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | W40 N74 | W40-G77 VanDerWaalsContact CG-CA 3.47Å; W40-G77 VanDerWaalsContact CZ2-N 3.29Å; N74-G77 PolarHBondContact O-N 2.79Å; N74-G77 PolarHBondContact OD1-N 2.84Å |
| 78 | T | 95.2 | Very high | 94.8 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 49% | 0.485 | 25% | 0.246 | S | C | . | . | trans | -81.2 | 131.7 | 167.5 | -41.3 | 0 | 0 | 0 | 0 | 109 | W73 N74 L80 | W73-T78 WeakPolarHBondContact CA-O 3.29Å; N74-T78 PolarHBondContact N-O 3.41Å; N74-T78 VanDerWaalsContact N-O 3.08Å; N74-T78 VanDerWaalsContact ND2-CB 3.27Å; N74-T78 WeakPolarHBondContact ND2-CB 3.12Å; N74-T78 PolarHBondContact ND2-OG1 2.99Å; N74-T78 WeakPolarHBondContact OD1-CA 3.35Å; N74-T78 WeakPolarHBondContact OD1-CB 3.37Å; N74-T78 PolarHBondContact OD1-N 3.45Å; N74-T78 PolarHBondContact OD1-O 2.82Å; N74-T78 PolarHBondContact OD1-OG1 2.87Å; T78-L80 PolarHBondContact O-N 2.79Å | ||
| 79 | V | 96.4 | Very high | 94.9 | Very high | 50 Ų | 50 | 45.2 Ų | 45.2 | 30% | 0.303 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 118.5 | 168.8 | 176.4 | 0 | 0 | 0 | 0 | 108.8 | T71 W73 S82 | T71-V79 HydrophobicContact CG2-CB 4.4Å; T71-V79 HydrophobicContact CG2-CG1 3.82Å; T71-V79 HydrophobicContact CG2-CG2 3.96Å; W73-V79 HydrophobicContact CD2-CG2 4.45Å; W73-V79 HydrophobicContact CE3-CG2 3.73Å; W73-V79 HydrophobicContact CH2-CG2 3.86Å; W73-V79 HydrophobicContact CZ3-CG2 3.39Å; V79-S82 WeakPolarHBondContact CG1-OG 3.49Å |
| 80 | L | 94.7 | Very high | 95 | Very high | 92 Ų | 92 | 46.8 Ų | 46.8 | 48% | 0.482 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -39.2 | 174.7 | -65.8 | -179.1 | 0 | 0 | 0 | 111.2 | L60 V72 N74 T78 | L60-L80 HydrophobicContact CD2-CD1 3.63Å; V72-L80 HydrophobicContact CG1-CB 4.47Å; V72-L80 HydrophobicContact CG1-CD1 4.4Å; V72-L80 PolarHBondContact O-N 3Å; N74-L80 HydrophobicContact CB-CD1 3.98Å; N74-L80 HydrophobicContact CB-CD2 4.08Å; N74-L80 HydrophobicContact CB-CG 4.06Å; T78-L80 PolarHBondContact O-N 2.79Å |
| 81 | A | 93.7 | Very high | 95 | Very high | 31 Ų | 31 | 46.8 Ų | 46.8 | 26% | 0.256 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 155.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V72 L120 | V72-A81 PolarHBondContact N-O 3.4Å; V72-A81 PolarHBondContact O-N 3.13Å; A81-L120 HydrophobicContact CB-CB 3.99Å; A81-L120 HydrophobicContact CB-CD1 3.67Å; A81-L120 HydrophobicContact CB-CG 4.23Å; A81-L120 WeakPolarHBondContact O-CD1 3.14Å |
| 82 | S | 94.8 | Very high | 95 | Very high | 62 Ų | 62 | 47.9 Ų | 47.9 | 43% | 0.434 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 148.2 | 175 | -59.3 | 0 | 0 | 0 | 0 | 110.1 | V70 T71 V79 | V70-S82 CarbonylContact O-C 3.6Å; V70-S82 VanDerWaalsContact O-CA 3.25Å; V70-S82 WeakPolarHBondContact O-CA 3.32Å; T71-S82 WeakPolarHBondContact CG2-OG 3.41Å; T71-S82 WeakPolarHBondContact OG1-CB 3.28Å; T71-S82 PolarHBondContact OG1-OG 3.11Å; V79-S82 WeakPolarHBondContact CG1-OG 3.49Å |
| 83 | L | 95.7 | Very high | 95.1 | Very high | 33 Ų | 33 | 48 Ų | 48 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 131.2 | 178.7 | 173.4 | 68.1 | 0 | 0 | 0 | 108.2 | V70 L85 L115 L120 | V70-L83 PolarHBondContact N-O 3.16Å; V70-L83 PolarHBondContact O-N 3.27Å; L83-L85 HydrophobicContact CD2-CD2 4.03Å; L83-L115 HydrophobicContact CD2-CD1 4.23Å; L83-L115 HydrophobicContact CD2-CD2 4.08Å; L83-L120 HydrophobicContact CB-CB 4.28Å; L83-L120 HydrophobicContact CB-CD2 4.27Å; L83-L120 HydrophobicContact CD2-CD2 4.27Å |
| 84 | R | 95.9 | Very high | 95.2 | Very high | 115 Ų | 115 | 48.1 Ų | 48.1 | 43% | 0.434 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.1 | 165 | -172.9 | 175.9 | -77.5 | -126.4 | 5.6 | 108.6 | S45 E67 E69 | S45-R84 PolarHBondContact OG-NH2 3.39Å; E67-R84 IonicContact OE2-CZ 3.65Å; E67-R84 IonicContact OE2-NH1 2.84Å; E67-R84 PolarHBondContact OE2-NH1 2.91Å; E67-R84 IonicContact OE2-NH2 3.53Å; E69-R84 VanDerWaalsContact CD-NH2 3.29Å; E69-R84 HydrophobicContact CG-CG 4.45Å; E69-R84 IonicContact OE1-CZ 3.37Å; E69-R84 IonicContact OE1-NE 3.29Å; E69-R84 PolarHBondContact OE1-NE 3Å; E69-R84 IonicContact OE1-NH2 2.7Å; E69-R84 PolarHBondContact OE1-NH2 2.72Å; E69-R84 IonicContact OE2-NH2 4Å |
| 85 | L | 94.9 | Very high | 95.3 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | trans | -68.6 | 143.6 | -179.9 | -65.4 | 172.8 | 0 | 0 | 0 | 110.4 | G68 V70 L83 S87 G88 V91 V106 H108 | G68-L85 PolarHBondContact O-N 3.18Å; V70-L85 HydrophobicContact CG2-CD1 4.01Å; V70-L85 HydrophobicContact CG2-CG 4.14Å; L83-L85 HydrophobicContact CD2-CD2 4.03Å; L85-S87 VanDerWaalsContact C-N 3.27Å; L85-S87 PolarHBondContact O-N 2.92Å; L85-G88 PolarHBondContact O-N 2.63Å; L85-V91 HydrophobicContact CD1-CG2 3.93Å; L85-V106 HydrophobicContact CD1-CG1 4.32Å; L85-H108 HydrophobicContact CD1-CB 3.95Å | ||
| 86 | P | 90.8 | Very high | 95.4 | Very high | 125 Ų | 125 | 47.2 Ų | 47.2 | 81% | 0.812 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27.3 | -174.2 | -24.7 | 34.7 | 0 | 0 | 0 | 115.2 | G88 | P86-G88 VanDerWaalsContact C-N 3.32Š|
| 87 | S | 90.9 | Very high | 95.5 | Very high | 54 Ų | 54 | 43.6 Ų | 43.6 | 38% | 0.378 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -35.6 | 177.9 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | L85 D89 H108 | L85-S87 VanDerWaalsContact C-N 3.27Å; L85-S87 PolarHBondContact O-N 2.92Å; S87-D89 WeakPolarHBondContact CB-OD2 3.42Å; S87-D89 PolarHBondContact O-N 3.37Å; S87-D89 PolarHBondContact OG-N 3.49Å; S87-H108 PolarHBondContact OG-ND1 3.5Å |
| 88 | G | 93.9 | Very high | 95.2 | Very high | 34 Ų | 34 | 46.7 Ų | 46.7 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | trans | 69.9 | 8.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E67 L85 P86 | E67-G88 CarbonylContact C-O 3.51Å; E67-G88 WeakPolarHBondContact CA-O 3.23Å; L85-G88 PolarHBondContact O-N 2.63Å; P86-G88 VanDerWaalsContact C-N 3.32Å | ||
| 89 | D | 97.4 | Very high | 94.8 | Very high | 72 Ų | 72 | 46.1 Ų | 46.1 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | trans | -72.6 | 153.1 | 174.3 | -61.6 | -33.4 | 0 | 0 | 0 | 110.1 | G68 S87 H108 | G68-D89 WeakPolarHBondContact CA-O 3.23Å; G68-D89 PolarHBondContact N-O 2.92Å; G68-D89 VanDerWaalsContact N-O 3.16Å; S87-D89 WeakPolarHBondContact CB-OD2 3.42Å; S87-D89 PolarHBondContact O-N 3.37Å; S87-D89 PolarHBondContact OG-N 3.49Å; D89-H108 HydrophobicContact CB-CB 4.18Å | ||
| 90 | D | 98.1 | Very high | 94.3 | Very high | 66 Ų | 66 | 45.4 Ų | 45.4 | 35% | 0.353 | 28% | 0.283 | S | S | . | . | trans | -64.1 | 140.8 | -174.9 | -70.7 | -14.3 | 0 | 0 | 0 | 112.5 | L49 E66 E67 T92 H108 | L49-D90 HydrophobicContact CD1-CB 3.76Å; E66-D90 WeakPolarHBondContact CA-OD1 3.15Å; E67-D90 PolarHBondContact N-OD1 2.95Å; D90-T92 HydrophobicContact CB-CG2 4.42Å; D90-T92 PolarHBondContact O-N 3.26Å; D90-H108 WeakPolarHBondContact O-CA 3.36Å | ||
| 91 | V | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -93.4 | 89.6 | 177.4 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | L49 C50 G64 S65 V70 L85 V106 S107 | L49-V91 WeakPolarHBondContact CB-O 3.31Å; C50-V91 PolarHBondContact SG-O 3.32Å; G64-V91 VanDerWaalsContact CA-CG1 3.49Å; S65-V91 PolarHBondContact O-N 3.13Å; V70-V91 HydrophobicContact CG2-CG1 4.34Å; V70-V91 HydrophobicContact CG2-CG2 3.9Å; L85-V91 HydrophobicContact CD1-CG2 3.93Å; V91-V106 HydrophobicContact CB-CG1 4.35Å; V91-V106 HydrophobicContact CG1-CG1 3.16Å; V91-V106 HydrophobicContact CG2-CG1 4.27Å; V91-S107 WeakPolarHBondContact CA-O 3.35Å | ||
| 92 | T | 98.3 | Very high | 93.1 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 14% | 0.135 | 28% | 0.278 | C | S | . | . | trans | -82 | -19.7 | -172.5 | 58 | 0 | 0 | 0 | 0 | 114.7 | C50 D90 S107 I135 | C50-T92 WeakPolarHBondContact CB-O 3.23Å; D90-T92 HydrophobicContact CB-CG2 4.42Å; D90-T92 PolarHBondContact O-N 3.26Å; T92-S107 PolarHBondContact OG1-OG 2.91Å; T92-I135 VanDerWaalsContact CB-O 3.32Å; T92-I135 WeakPolarHBondContact CB-O 3.44Å; T92-I135 WeakPolarHBondContact CG2-O 3.41Å; T92-I135 PolarHBondContact OG1-O 3.25Å | ||
| 93 | S | 98.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 139.2 | -177.4 | -153.5 | 0 | 0 | 0 | 0 | 112.8 | C50 V106 S107 L138 | C50-S93 VanDerWaalsContact SG-C 3.56Å; C50-S93 VanDerWaalsContact SG-CA 3.55Å; C50-S93 PolarHBondContact SG-N 2.85Å; S93-V106 WeakPolarHBondContact O-CA 3.34Å; S93-S107 WeakPolarHBondContact CA-OG 3.29Å; S93-S107 WeakPolarHBondContact CB-OG 3.09Å; S93-S107 PolarHBondContact N-OG 2.88Å; S93-S107 PolarHBondContact O-N 2.98Å; S93-S107 PolarHBondContact O-OG 2.83Å; S93-L138 PolarHBondContact OG-N 2.97Å; S93-L138 VanDerWaalsContact OG-N 3.08Å |
| 94 | A | 98 | Very high | 93.1 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.033 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 124.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G52 L104 Y105 | G52-A94 WeakPolarHBondContact CA-O 3.22Å; A94-L104 HydrophobicContact CB-CD1 4.36Å; A94-Y105 CarbonylContact C-O 3.51Å; A94-Y105 WeakPolarHBondContact CA-O 3.33Å |
| 95 | V | 97 | Very high | 93.2 | Very high | 33 Ų | 33 | 36.1 Ų | 36.1 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 125.3 | -176.5 | -174.7 | 0 | 0 | 0 | 0 | 110.9 | Y105 L138 L140 | V95-Y105 PolarHBondContact N-O 3.28Å; V95-Y105 PolarHBondContact O-N 3.33Å; V95-L138 HydrophobicContact CG2-CB 3.86Å; V95-L138 WeakPolarHBondContact CG2-O 3.46Å; V95-L140 HydrophobicContact CG1-CB 4.25Å; V95-L140 HydrophobicContact CG1-CD1 3.98Å; V95-L140 HydrophobicContact CG1-CG 4.11Å |
| 96 | F | 95.5 | Very high | 93.3 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 143.4 | 172.8 | -73.5 | -89.1 | 0 | 0 | 0 | 111.3 | G52 A53 L60 A62 P98 L104 P117 | G52-F96 WeakPolarHBondContact O-CE2 3.49Å; A53-F96 VanDerWaalsContact C-CD2 3.41Å; L60-F96 HydrophobicContact CB-CE1 4.11Å; L60-F96 HydrophobicContact CB-CZ 4Å; A62-F96 HydrophobicContact CB-CE2 3.63Å; A62-F96 HydrophobicContact CB-CZ 3.62Å; F96-P98 WeakPolarHBondContact O-CD 3.47Å; F96-L104 HydrophobicContact CD1-CB 4.41Å; F96-L104 HydrophobicContact CD1-CD1 4.12Å; F96-L104 HydrophobicContact CD2-CD1 3.99Å; F96-L104 HydrophobicContact CE1-CB 4.39Å; F96-L104 HydrophobicContact CE1-CD1 4.11Å; F96-L104 HydrophobicContact CE2-CD1 3.97Å; F96-L104 HydrophobicContact CG-CD1 4.08Å; F96-L104 HydrophobicContact CZ-CD1 4.04Å; F96-P117 HydrophobicContact CE1-CB 3.96Å; F96-P117 HydrophobicContact CE1-CG 3.96Å |
| 97 | S | 93.3 | Very high | 93.7 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | trans | -70.7 | 123.7 | 172.9 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | A99 A100 L103 | S97-A99 VanDerWaalsContact C-N 3.26Å; S97-A99 PolarHBondContact O-N 3.46Å; S97-A99 PolarHBondContact OG-N 2.99Å; S97-A100 WeakPolarHBondContact CB-O 3.39Å; S97-A100 CarbonylContact O-C 3.57Å; S97-A100 PolarHBondContact OG-N 3.03Å; S97-A100 VanDerWaalsContact OG-N 3.14Å; S97-L103 PolarHBondContact N-O 2.78Å | ||
| 98 | P | 87.8 | Confident | 94 | Very high | 79 Ų | 79 | 27.8 Ų | 27.8 | 51% | 0.513 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -69.6 | -27 | 174.5 | 28.4 | -33.5 | 0 | 0 | 0 | 112.1 | F96 | F96-P98 WeakPolarHBondContact O-CD 3.47Š|
| 99 | A | 86.5 | Confident | 94.2 | Very high | 67 Ų | 67 | 26.4 Ų | 26.4 | 55% | 0.554 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -90.6 | -25.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S97 T143 | S97-A99 VanDerWaalsContact C-N 3.26Å; S97-A99 PolarHBondContact O-N 3.46Å; S97-A99 PolarHBondContact OG-N 2.99Å; A99-T143 WeakPolarHBondContact CB-O 3.32Å |
| 100 | A | 86.4 | Confident | 94.2 | Very high | 35 Ų | 35 | 28 Ų | 28 | 29% | 0.289 | 18% | 0.176 | S | C | . | . | trans | -133.6 | 84.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S97 G102 L103 | S97-A100 WeakPolarHBondContact CB-O 3.39Å; S97-A100 CarbonylContact O-C 3.57Å; S97-A100 PolarHBondContact OG-N 3.03Å; S97-A100 VanDerWaalsContact OG-N 3.14Å; A100-G102 PolarHBondContact O-N 2.95Å; A100-L103 HydrophobicContact CB-CB 4.44Å; A100-L103 HydrophobicContact CB-CD1 3.88Å; A100-L103 HydrophobicContact CB-CG 4.06Å; A100-L103 PolarHBondContact O-N 2.85Å | ||
| 101 | P | 77.4 | Confident | 94.2 | Very high | 63 Ų | 63 | 26.2 Ų | 26.2 | 41% | 0.409 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -14.3 | -173.2 | -27.6 | 35.1 | 0 | 0 | 0 | 116.1 | ||
| 102 | G | 85.8 | Confident | 94.2 | Very high | 22 Ų | 22 | 26.2 Ų | 26.2 | 23% | 0.227 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 12.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A100 D116 P117 | A100-G102 PolarHBondContact O-N 2.95Å; G102-D116 WeakPolarHBondContact O-CA 3.44Å; G102-P117 VanDerWaalsContact O-CD 3.22Å; G102-P117 WeakPolarHBondContact O-CD 3.48Å |
| 103 | L | 93.6 | Very high | 94.2 | Very high | 48 Ų | 48 | 25.2 Ų | 25.2 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | trans | -119.8 | 131.1 | 175.1 | -62 | -178.9 | 0 | 0 | 0 | 110.9 | S97 A100 Y105 V114 L115 | S97-L103 PolarHBondContact N-O 2.78Å; A100-L103 HydrophobicContact CB-CB 4.44Å; A100-L103 HydrophobicContact CB-CD1 3.88Å; A100-L103 HydrophobicContact CB-CG 4.06Å; A100-L103 PolarHBondContact O-N 2.85Å; L103-Y105 HydrophobicContact CB-CE2 4.28Å; L103-V114 HydrophobicContact CB-CG1 4.3Å; L103-V114 HydrophobicContact CD2-CG1 3.97Å; L103-V114 HydrophobicContact CG-CG1 4.49Å; L103-L115 WeakPolarHBondContact CA-O 3.45Å | ||
| 104 | L | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 124.2 | 174 | 173.7 | 67.1 | 0 | 0 | 0 | 108.5 | A62 V70 V72 A94 F96 V106 V114 L115 P117 | A62-L104 HydrophobicContact CB-CD1 3.73Å; A62-L104 HydrophobicContact CB-CD2 3.52Å; A62-L104 HydrophobicContact CB-CG 4.28Å; V70-L104 HydrophobicContact CG1-CD2 4.39Å; V72-L104 HydrophobicContact CG2-CD2 4.36Å; A94-L104 HydrophobicContact CB-CD1 4.36Å; F96-L104 HydrophobicContact CD1-CB 4.41Å; F96-L104 HydrophobicContact CD1-CD1 4.12Å; F96-L104 HydrophobicContact CD2-CD1 3.99Å; F96-L104 HydrophobicContact CE1-CB 4.39Å; F96-L104 HydrophobicContact CE1-CD1 4.11Å; F96-L104 HydrophobicContact CE2-CD1 3.97Å; F96-L104 HydrophobicContact CG-CD1 4.08Å; F96-L104 HydrophobicContact CZ-CD1 4.04Å; L104-V106 HydrophobicContact CD1-CG2 4.47Å; L104-V106 HydrophobicContact CD2-CG2 3.87Å; L104-V106 HydrophobicContact CG-CG2 3.72Å; L104-V114 CarbonylContact O-C 3.51Å; L104-V114 WeakPolarHBondContact O-CA 3.25Å; L104-L115 HydrophobicContact CB-CB 4.39Å; L104-L115 HydrophobicContact CD2-CD1 4.46Å; L104-L115 PolarHBondContact N-O 3.01Å; L104-L115 PolarHBondContact O-N 2.82Å; L104-P117 HydrophobicContact CB-CB 4.47Å |
| 105 | Y | 97.9 | Very high | 94 | Very high | 6 Ų | 6 | 25 Ų | 25 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.5 | 174.7 | -63.8 | -94.7 | 0 | 0 | 0 | 109 | A94 V95 L103 V112 V114 L127 L140 L147 L161 | A94-Y105 CarbonylContact C-O 3.51Å; A94-Y105 WeakPolarHBondContact CA-O 3.33Å; V95-Y105 PolarHBondContact N-O 3.28Å; V95-Y105 PolarHBondContact O-N 3.33Å; L103-Y105 HydrophobicContact CB-CE2 4.28Å; Y105-V112 HydrophobicContact CD1-CG1 4.04Å; Y105-V114 HydrophobicContact CD1-CB 4.45Å; Y105-V114 HydrophobicContact CD1-CG1 4.26Å; Y105-V114 HydrophobicContact CD1-CG2 3.66Å; Y105-V114 HydrophobicContact CE1-CB 4.32Å; Y105-V114 HydrophobicContact CE1-CG1 3.89Å; Y105-V114 HydrophobicContact CE1-CG2 3.49Å; Y105-V114 VanDerWaalsContact CE1-CG2 3.49Å; Y105-L127 HydrophobicContact CD1-CD1 4.4Å; Y105-L127 HydrophobicContact CE1-CD1 4.35Å; Y105-L140 HydrophobicContact CD2-CD1 3.71Å; Y105-L140 HydrophobicContact CD2-CD2 4.48Å; Y105-L140 HydrophobicContact CD2-CG 4.48Å; Y105-L140 HydrophobicContact CE2-CD1 3.85Å; Y105-L140 HydrophobicContact CE2-CD2 4.35Å; Y105-L147 HydrophobicContact CD1-CD2 4.02Å; Y105-L161 HydrophobicContact CE1-CD1 3.89Å; Y105-L161 HydrophobicContact CE1-CD2 3.86Å; Y105-L161 HydrophobicContact CE2-CD1 4.28Å; Y105-L161 WeakPolarHBondContact OH-CD1 3.39Å |
| 106 | V | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.2 | -174.8 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | V70 L85 V91 S93 L104 V112 S113 L115 | V70-V106 HydrophobicContact CG1-CG2 4.3Å; V70-V106 HydrophobicContact CG2-CG1 3.8Å; L85-V106 HydrophobicContact CD1-CG1 4.32Å; V91-V106 HydrophobicContact CB-CG1 4.35Å; V91-V106 HydrophobicContact CG1-CG1 3.16Å; V91-V106 HydrophobicContact CG2-CG1 4.27Å; S93-V106 WeakPolarHBondContact O-CA 3.34Å; L104-V106 HydrophobicContact CD1-CG2 4.47Å; L104-V106 HydrophobicContact CD2-CG2 3.87Å; L104-V106 HydrophobicContact CG-CG2 3.72Å; V106-V112 CarbonylContact O-C 3.49Å; V106-V112 VanDerWaalsContact O-CA 3.31Å; V106-V112 WeakPolarHBondContact O-CA 3.47Å; V106-S113 PolarHBondContact N-O 3.29Å; V106-S113 PolarHBondContact O-N 2.89Å; V106-L115 HydrophobicContact CB-CD1 4.48Å; V106-L115 HydrophobicContact CG2-CD1 3.74Å; V106-L115 HydrophobicContact CG2-CG 4.23Å |
| 107 | S | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 143.6 | 174.2 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | V91 T92 S93 I135 | V91-S107 WeakPolarHBondContact CA-O 3.35Å; T92-S107 PolarHBondContact OG1-OG 2.91Å; S93-S107 WeakPolarHBondContact CA-OG 3.29Å; S93-S107 WeakPolarHBondContact CB-OG 3.09Å; S93-S107 PolarHBondContact N-OG 2.88Å; S93-S107 PolarHBondContact O-N 2.98Å; S93-S107 PolarHBondContact O-OG 2.83Å; S107-I135 VanDerWaalsContact CB-CG2 3.43Å |
| 108 | H | 97.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.046 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 129.3 | 168.3 | 61.1 | 101.8 | 0 | 0 | 0 | 108.3 | L85 S87 D89 D90 E110 T111 S113 | L85-H108 HydrophobicContact CD1-CB 3.95Å; S87-H108 PolarHBondContact OG-ND1 3.5Å; D89-H108 HydrophobicContact CB-CB 4.18Å; D90-H108 WeakPolarHBondContact O-CA 3.36Å; H108-E110 PolarHBondContact O-N 2.68Å; H108-T111 PolarHBondContact N-O 2.93Å; H108-T111 PolarHBondContact O-N 3.12Å; H108-S113 PolarHBondContact NE2-OG 2.95Å |
| 109 | G | 97.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -133 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T111 E134 I135 | G109-T111 VanDerWaalsContact C-N 3.32Å; G109-E134 WeakPolarHBondContact CA-OE1 3.01Å; G109-E134 VanDerWaalsContact CA-OE2 3.28Å; G109-E134 WeakPolarHBondContact CA-OE2 3.45Å; G109-E134 PolarHBondContact N-OE1 3.18Å; G109-I135 WeakPolarHBondContact O-CG1 2.94Å; G109-I135 PolarHBondContact O-N 3.18Å |
| 110 | E | 97.7 | Very high | 93.3 | Very high | 106 Ų | 106 | 28.1 Ų | 28.1 | 50% | 0.495 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 3.8 | 175.8 | -62.1 | 169.9 | -160 | 0 | 0 | 113.4 | H108 A130 G131 | H108-E110 PolarHBondContact O-N 2.68Å; E110-A130 PolarHBondContact O-N 2.85Å; E110-A130 VanDerWaalsContact O-N 3.12Å; E110-G131 PolarHBondContact O-N 2.95Å |
| 111 | T | 97.9 | Very high | 93.2 | Very high | 28 Ų | 28 | 35.5 Ų | 35.5 | 17% | 0.172 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 151.6 | -167.8 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | H108 G109 E126 I135 | H108-T111 PolarHBondContact N-O 2.93Å; H108-T111 PolarHBondContact O-N 3.12Å; G109-T111 VanDerWaalsContact C-N 3.32Å; T111-E126 HydrophobicContact CG2-CB 4.49Å; T111-I135 WeakPolarHBondContact O-CD1 3.04Å |
| 112 | V | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.6 | 165.5 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | Y105 V106 L127 A130 I135 L138 L147 | Y105-V112 HydrophobicContact CD1-CG1 4.04Å; V106-V112 CarbonylContact O-C 3.49Å; V106-V112 VanDerWaalsContact O-CA 3.31Å; V106-V112 WeakPolarHBondContact O-CA 3.47Å; V112-L127 HydrophobicContact CB-CB 4.18Å; V112-L127 HydrophobicContact CB-CD1 4.27Å; V112-L127 HydrophobicContact CB-CG 4.4Å; V112-L127 HydrophobicContact CG1-CD1 4.34Å; V112-L127 PolarHBondContact N-O 2.74Å; V112-L127 PolarHBondContact O-N 2.77Å; V112-A130 HydrophobicContact CB-CB 4.26Å; V112-A130 HydrophobicContact CG2-CB 3.72Å; V112-I135 HydrophobicContact CG2-CD1 3.82Å; V112-L138 HydrophobicContact CG1-CD1 4.09Å; V112-L138 HydrophobicContact CG2-CD1 4.16Å; V112-L138 HydrophobicContact CG2-CD2 3.72Å; V112-L147 HydrophobicContact CG1-CD2 4.05Å; V112-L147 HydrophobicContact CG2-CD2 4.33Å |
| 113 | S | 97.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 133.4 | 169.9 | -71.2 | 0 | 0 | 0 | 0 | 110.3 | V106 H108 | V106-S113 PolarHBondContact N-O 3.29Å; V106-S113 PolarHBondContact O-N 2.89Å; H108-S113 PolarHBondContact NE2-OG 2.95Å |
| 114 | V | 97.4 | Very high | 94 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 117.9 | 172.6 | -166.5 | 0 | 0 | 0 | 0 | 108 | L103 L104 Y105 A123 V124 E125 L127 | L103-V114 HydrophobicContact CB-CG1 4.3Å; L103-V114 HydrophobicContact CD2-CG1 3.97Å; L103-V114 HydrophobicContact CG-CG1 4.49Å; L104-V114 CarbonylContact O-C 3.51Å; L104-V114 WeakPolarHBondContact O-CA 3.25Å; Y105-V114 HydrophobicContact CD1-CB 4.45Å; Y105-V114 HydrophobicContact CD1-CG1 4.26Å; Y105-V114 HydrophobicContact CD1-CG2 3.66Å; Y105-V114 HydrophobicContact CE1-CB 4.32Å; Y105-V114 HydrophobicContact CE1-CG1 3.89Å; Y105-V114 HydrophobicContact CE1-CG2 3.49Å; Y105-V114 VanDerWaalsContact CE1-CG2 3.49Å; V114-A123 CarbonylContact O-C 3.56Å; V114-V124 PolarHBondContact O-N 2.97Å; V114-E125 HydrophobicContact CB-CB 3.96Å; V114-E125 HydrophobicContact CG2-CB 3.93Å; V114-E125 HydrophobicContact CG2-CG 4.45Å; V114-E125 PolarHBondContact N-O 2.98Å; V114-E125 PolarHBondContact O-N 2.89Å; V114-L127 HydrophobicContact CG2-CD1 4.37Å; V114-L127 HydrophobicContact CG2-CD2 4.28Å; V114-L127 HydrophobicContact CG2-CG 4.11Å |
| 115 | L | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 151 | -175 | -50.3 | -177.6 | 0 | 0 | 0 | 110.4 | V70 L83 L103 L104 V106 P117 L120 A123 | V70-L115 HydrophobicContact CB-CD1 4.49Å; V70-L115 HydrophobicContact CG1-CD1 4.01Å; L83-L115 HydrophobicContact CD2-CD1 4.23Å; L83-L115 HydrophobicContact CD2-CD2 4.08Å; L103-L115 WeakPolarHBondContact CA-O 3.45Å; L104-L115 HydrophobicContact CB-CB 4.39Å; L104-L115 HydrophobicContact CD2-CD1 4.46Å; L104-L115 PolarHBondContact N-O 3.01Å; L104-L115 PolarHBondContact O-N 2.82Å; V106-L115 HydrophobicContact CB-CD1 4.48Å; V106-L115 HydrophobicContact CG2-CD1 3.74Å; V106-L115 HydrophobicContact CG2-CG 4.23Å; L115-P117 WeakPolarHBondContact O-CD 3.47Å; L115-L120 HydrophobicContact CB-CD2 3.98Å; L115-L120 HydrophobicContact CD1-CD2 3.62Å; L115-L120 HydrophobicContact CG-CD2 4.33Å; L115-A123 HydrophobicContact CD2-CB 4.01Å |
| 116 | D | 94.2 | Very high | 93.8 | Very high | 51 Ų | 51 | 44.2 Ų | 44.2 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | trans | -90 | 109.9 | 161.1 | -178.5 | -12.8 | 0 | 0 | 0 | 108.3 | G102 R118 S119 L120 V124 | G102-D116 WeakPolarHBondContact O-CA 3.44Å; D116-R118 PolarHBondContact O-N 3.23Å; D116-R118 VanDerWaalsContact O-N 3.13Å; D116-R118 WeakPolarHBondContact OD1-CB 2.93Å; D116-R118 PolarHBondContact OD1-N 3.4Å; D116-S119 CarbonylContact O-C 3.47Å; D116-S119 PolarHBondContact O-N 3.47Å; D116-L120 PolarHBondContact O-N 3.13Å; D116-V124 HydrophobicContact CB-CG2 4.05Å | ||
| 117 | P | 92.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -15.5 | -176.9 | 29.7 | -35.1 | 0 | 0 | 0 | 112.9 | L60 V72 F96 G102 L104 L115 | L60-P117 HydrophobicContact CD1-CB 4.12Å; L60-P117 HydrophobicContact CD1-CG 4.12Å; V72-P117 HydrophobicContact CG1-CB 4.3Å; V72-P117 HydrophobicContact CG2-CB 3.98Å; F96-P117 HydrophobicContact CE1-CB 3.96Å; F96-P117 HydrophobicContact CE1-CG 3.96Å; G102-P117 VanDerWaalsContact O-CD 3.22Å; G102-P117 WeakPolarHBondContact O-CD 3.48Å; L104-P117 HydrophobicContact CB-CB 4.47Å; L115-P117 WeakPolarHBondContact O-CD 3.47Å |
| 118 | R | 87.9 | Confident | 93.6 | Very high | 145 Ų | 145 | 51.8 Ų | 51.8 | 55% | 0.547 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -14.7 | 175.1 | -57.8 | 175.9 | -176.8 | 163.3 | 1.4 | 112.5 | E58 D116 | E58-R118 IonicContact OE1-CZ 3.29Å; E58-R118 VanDerWaalsContact OE1-CZ 3.28Å; E58-R118 IonicContact OE1-NE 2.75Å; E58-R118 PolarHBondContact OE1-NE 3.26Å; E58-R118 IonicContact OE1-NH2 2.6Å; E58-R118 PolarHBondContact OE1-NH2 2.78Å; E58-R118 IonicContact OE2-CZ 3.31Å; E58-R118 VanDerWaalsContact OE2-CZ 3.22Å; E58-R118 IonicContact OE2-NE 2.9Å; E58-R118 PolarHBondContact OE2-NE 3.02Å; E58-R118 IonicContact OE2-NH2 3.06Å; E58-R118 PolarHBondContact OE2-NH2 3.05Å; D116-R118 PolarHBondContact O-N 3.23Å; D116-R118 VanDerWaalsContact O-N 3.13Å; D116-R118 WeakPolarHBondContact OD1-CB 2.93Å; D116-R118 PolarHBondContact OD1-N 3.4Å |
| 119 | S | 86.1 | Confident | 93.4 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 34% | 0.343 | 28% | 0.278 | S | S | . | . | trans | -147.8 | 76 | -179 | 175 | 0 | 0 | 0 | 0 | 110.6 | D116 K121 | D116-S119 CarbonylContact O-C 3.47Å; D116-S119 PolarHBondContact O-N 3.47Å; S119-K121 PolarHBondContact O-N 3.44Å | ||
| 120 | L | 85 | Confident | 93.3 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 9% | 0.089 | 28% | 0.277 | C | S | . | . | trans | -72.3 | 53.3 | 176.6 | -78.8 | 174.8 | 0 | 0 | 0 | 113.6 | V72 A81 L83 L115 D116 | V72-L120 HydrophobicContact CB-CD1 4.07Å; V72-L120 HydrophobicContact CG2-CD1 3.62Å; V72-L120 HydrophobicContact CG2-CG 4.36Å; A81-L120 HydrophobicContact CB-CB 3.99Å; A81-L120 HydrophobicContact CB-CD1 3.67Å; A81-L120 HydrophobicContact CB-CG 4.23Å; A81-L120 WeakPolarHBondContact O-CD1 3.14Å; L83-L120 HydrophobicContact CB-CB 4.28Å; L83-L120 HydrophobicContact CB-CD2 4.27Å; L83-L120 HydrophobicContact CD2-CD2 4.27Å; L115-L120 HydrophobicContact CB-CD2 3.98Å; L115-L120 HydrophobicContact CD1-CD2 3.62Å; L115-L120 HydrophobicContact CG-CD2 4.33Å; D116-L120 PolarHBondContact O-N 3.13Å | ||
| 121 | K | 83.3 | Confident | 93.3 | Very high | 190 Ų | 190 | 47.7 Ų | 47.7 | 83% | 0.826 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -84 | -14.7 | 176.2 | -67.3 | -178.4 | -178.8 | 176.5 | 0 | 113.2 | S119 | S119-K121 PolarHBondContact O-N 3.44Š|
| 122 | G | 86.8 | Confident | 93.3 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 158 | 178.4 | -176 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 123 | A | 91.9 | Very high | 93.3 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 35% | 0.347 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 132.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | V114 L115 E125 E126 | V114-A123 CarbonylContact O-C 3.56Å; L115-A123 HydrophobicContact CD2-CB 4.01Å; A123-E125 VanDerWaalsContact C-N 3.34Å; A123-E126 HydrophobicContact CB-CG 3.9Å |
| 124 | V | 94.2 | Very high | 93.3 | Very high | 99 Ų | 99 | 56 Ų | 56 | 60% | 0.6 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -34.7 | 170.2 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | V114 D116 | V114-V124 PolarHBondContact O-N 2.97Å; D116-V124 HydrophobicContact CB-CG2 4.05Å |
| 125 | E | 95.2 | Very high | 93.4 | Very high | 59 Ų | 59 | 55.9 Ų | 55.9 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 146.3 | 177.4 | -173.4 | -177.5 | -175.3 | 0 | 0 | 108.9 | V114 A123 L127 G163 | V114-E125 HydrophobicContact CB-CB 3.96Å; V114-E125 HydrophobicContact CG2-CB 3.93Å; V114-E125 HydrophobicContact CG2-CG 4.45Å; V114-E125 PolarHBondContact N-O 2.98Å; V114-E125 PolarHBondContact O-N 2.89Å; A123-E125 VanDerWaalsContact C-N 3.34Å; E125-L127 HydrophobicContact CG-CD2 3.81Å; E125-L127 WeakPolarHBondContact OE1-CD2 3.46Å; E125-G163 WeakPolarHBondContact OE1-CA 3.46Å; E125-G163 PolarHBondContact OE1-N 3.41Å |
| 126 | E | 96.2 | Very high | 93.5 | Very high | 94 Ų | 94 | 57.8 Ų | 57.8 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.8 | 170.3 | -70.6 | -173 | 166.9 | 0 | 0 | 109.6 | T111 A123 Q128 | T111-E126 HydrophobicContact CG2-CB 4.49Å; A123-E126 HydrophobicContact CB-CG 3.9Å; E126-Q128 HydrophobicContact CB-CG 4.46Å; E126-Q128 PolarHBondContact O-N 2.91Å |
| 127 | L | 97.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 80.5 | 176 | -45.2 | -174.5 | 0 | 0 | 0 | 108.1 | Y105 V112 V114 E125 A130 L147 L159 L161 | Y105-L127 HydrophobicContact CD1-CD1 4.4Å; Y105-L127 HydrophobicContact CE1-CD1 4.35Å; V112-L127 HydrophobicContact CB-CB 4.18Å; V112-L127 HydrophobicContact CB-CD1 4.27Å; V112-L127 HydrophobicContact CB-CG 4.4Å; V112-L127 HydrophobicContact CG1-CD1 4.34Å; V112-L127 PolarHBondContact N-O 2.74Å; V112-L127 PolarHBondContact O-N 2.77Å; V114-L127 HydrophobicContact CG2-CD1 4.37Å; V114-L127 HydrophobicContact CG2-CD2 4.28Å; V114-L127 HydrophobicContact CG2-CG 4.11Å; E125-L127 HydrophobicContact CG-CD2 3.81Å; E125-L127 WeakPolarHBondContact OE1-CD2 3.46Å; L127-A130 HydrophobicContact CB-CB 4.32Å; L127-A130 VanDerWaalsContact O-CB 3.28Å; L127-A130 WeakPolarHBondContact O-CB 3.48Å; L127-A130 PolarHBondContact O-N 2.71Å; L127-L147 HydrophobicContact CD1-CD2 4.11Å; L127-L159 HydrophobicContact CB-CD1 4.43Å; L127-L159 HydrophobicContact CD1-CD1 4.02Å; L127-L161 HydrophobicContact CD1-CD2 3.97Å |
| 128 | Q | 94.8 | Very high | 94 | Very high | 150 Ų | 150 | 56 Ų | 56 | 70% | 0.701 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 141.4 | 179.7 | -66.5 | -171 | -3.3 | 0 | 0 | 111.7 | E126 A130 | E126-Q128 HydrophobicContact CB-CG 4.46Å; E126-Q128 PolarHBondContact O-N 2.91Å; Q128-A130 PolarHBondContact O-N 2.93Å |
| 129 | G | 92.3 | Very high | 94.5 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 32% | 0.32 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 32.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G131 R157 | G129-G131 VanDerWaalsContact C-N 3.32Å; G129-G131 CarbonylContact C-O 3.58Å; G129-R157 PolarHBondContact O-NH1 2.91Å |
| 130 | A | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -64.6 | -40.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | E110 V112 L127 Q128 I135 V149 R157 L159 | E110-A130 PolarHBondContact O-N 2.85Å; E110-A130 VanDerWaalsContact O-N 3.12Å; V112-A130 HydrophobicContact CB-CB 4.26Å; V112-A130 HydrophobicContact CG2-CB 3.72Å; L127-A130 HydrophobicContact CB-CB 4.32Å; L127-A130 VanDerWaalsContact O-CB 3.28Å; L127-A130 WeakPolarHBondContact O-CB 3.48Å; L127-A130 PolarHBondContact O-N 2.71Å; Q128-A130 PolarHBondContact O-N 2.93Å; A130-I135 HydrophobicContact CB-CD1 4.08Å; A130-V149 HydrophobicContact CB-CG2 4.41Å; A130-R157 WeakPolarHBondContact O-CD 3.49Å; A130-L159 HydrophobicContact CB-CD1 3.81Å |
| 131 | G | 97.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -102.1 | 171.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E110 G129 | E110-G131 PolarHBondContact O-N 2.95Å; G129-G131 VanDerWaalsContact C-N 3.32Å; G129-G131 CarbonylContact C-O 3.58Å |
| 132 | E | 97.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 43.7 Ų | 43.7 | 24% | 0.243 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -96.6 | -23.7 | 166.2 | -75.4 | 172.9 | -151.6 | 0 | 0 | 113.4 | D151 R157 R171 | E132-D151 PolarHBondContact N-OD2 2.83Å; E132-R157 VanDerWaalsContact CD-NH2 3.29Å; E132-R157 VanDerWaalsContact CG-CZ 3.47Å; E132-R157 IonicContact OE1-CZ 3.95Å; E132-R157 VanDerWaalsContact OE1-CZ 3.31Å; E132-R157 IonicContact OE1-NE 3.95Å; E132-R157 PolarHBondContact OE1-NE 2.81Å; E132-R157 IonicContact OE1-NH2 3.55Å; E132-R157 PolarHBondContact OE1-NH2 3.33Å; E132-R171 IonicContact OE1-CZ 3.15Å; E132-R171 VanDerWaalsContact OE1-CZ 3.29Å; E132-R171 IonicContact OE1-NH1 2.7Å; E132-R171 IonicContact OE1-NH2 2.75Å; E132-R171 PolarHBondContact OE1-NH2 3.2Å; E132-R171 IonicContact OE2-CZ 2.9Å; E132-R171 IonicContact OE2-NH1 3.05Å; E132-R171 PolarHBondContact OE2-NH1 3.22Å; E132-R171 IonicContact OE2-NH2 3.67Å; E132-R171 PolarHBondContact OE2-NH2 2.85Å |
| 133 | E | 98.1 | Very high | 96 | Very high | 94 Ų | 94 | 46 Ų | 46 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -143 | -165.4 | 173.8 | -70 | -178.8 | -166.6 | 0 | 0 | 107.2 | I135 D152 S153 | E133-I135 PolarHBondContact O-N 2.96Å; E133-D152 HydrophobicContact CB-CB 3.92Å; E133-S153 PolarHBondContact OE2-N 2.98Å |
| 134 | E | 97.9 | Very high | 96.1 | Very high | 57 Ų | 57 | 44.5 Ų | 44.5 | 27% | 0.266 | 24% | 0.237 | S | C | . | . | trans | -49.6 | 127 | 178 | -170.1 | 64.3 | -137.1 | 0 | 0 | 111.2 | G109 D151 D152 | G109-E134 WeakPolarHBondContact CA-OE1 3.01Å; G109-E134 VanDerWaalsContact CA-OE2 3.28Å; G109-E134 WeakPolarHBondContact CA-OE2 3.45Å; G109-E134 PolarHBondContact N-OE1 3.18Å; E134-D151 CarbonylContact O-C 3.58Å; E134-D151 WeakPolarHBondContact O-CA 3.4Å; E134-D151 WeakPolarHBondContact O-CB 3.42Å; E134-D152 HydrophobicContact CB-CB 4.37Å; E134-D152 PolarHBondContact O-N 2.93Å | ||
| 135 | I | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 131.7 | 177.8 | -64.8 | 168.4 | 0 | 0 | 0 | 108.3 | T92 S107 G109 T111 V112 A130 E133 L138 V149 | T92-I135 VanDerWaalsContact CB-O 3.32Å; T92-I135 WeakPolarHBondContact CB-O 3.44Å; T92-I135 WeakPolarHBondContact CG2-O 3.41Å; T92-I135 PolarHBondContact OG1-O 3.25Å; S107-I135 VanDerWaalsContact CB-CG2 3.43Å; G109-I135 WeakPolarHBondContact O-CG1 2.94Å; G109-I135 PolarHBondContact O-N 3.18Å; T111-I135 WeakPolarHBondContact O-CD1 3.04Å; V112-I135 HydrophobicContact CG2-CD1 3.82Å; A130-I135 HydrophobicContact CB-CD1 4.08Å; E133-I135 PolarHBondContact O-N 2.96Å; I135-L138 HydrophobicContact CG2-CD2 3.96Å; I135-L138 HydrophobicContact CG2-CG 4.41Å; I135-V149 HydrophobicContact CB-CG1 4.27Å; I135-V149 HydrophobicContact CD1-CG1 3.64Å; I135-V149 HydrophobicContact CG1-CG1 3.59Å; I135-V149 HydrophobicContact CG2-CG1 3.72Å |
| 136 | N | 98.6 | Very high | 96.1 | Very high | 41 Ų | 41 | 40.1 Ų | 40.1 | 22% | 0.219 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -31.1 | 177.9 | -68.2 | -69.1 | 0 | 0 | 0 | 113.4 | A150 D152 I176 V177 | N136-A150 PolarHBondContact N-O 3.22Å; N136-D152 PolarHBondContact ND2-N 2.77Å; N136-D152 PolarHBondContact ND2-OD1 2.85Å; N136-D152 PolarHBondContact OD1-OD1 2.87Å; N136-I176 WeakPolarHBondContact ND2-CG2 3.48Å; N136-V177 WeakPolarHBondContact CB-O 3.49Å; N136-V177 PolarHBondContact ND2-O 3.23Å |
| 137 | S | 98.6 | Very high | 96.2 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 136.5 | -171.3 | -177.9 | 0 | 0 | 0 | 0 | 112.4 | A150 S178 V180 | S137-A150 PolarHBondContact N-O 3.26Å; S137-A150 PolarHBondContact O-N 2.89Å; S137-S178 WeakPolarHBondContact CB-O 2.82Å; S137-V180 PolarHBondContact OG-N 2.91Å |
| 138 | L | 98.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 143.6 | 173.3 | -63.9 | -178.6 | 0 | 0 | 0 | 110.5 | S93 V95 V112 I135 L147 A148 V149 | S93-L138 PolarHBondContact OG-N 2.97Å; S93-L138 VanDerWaalsContact OG-N 3.08Å; V95-L138 HydrophobicContact CG2-CB 3.86Å; V95-L138 WeakPolarHBondContact CG2-O 3.46Å; V112-L138 HydrophobicContact CG1-CD1 4.09Å; V112-L138 HydrophobicContact CG2-CD1 4.16Å; V112-L138 HydrophobicContact CG2-CD2 3.72Å; I135-L138 HydrophobicContact CG2-CD2 3.96Å; I135-L138 HydrophobicContact CG2-CG 4.41Å; L138-L147 HydrophobicContact CB-CD1 4.2Å; L138-L147 HydrophobicContact CD2-CD1 4.33Å; L138-L147 HydrophobicContact CD2-CD2 4.34Å; L138-L147 HydrophobicContact CD2-CG 4.44Å; L138-A148 WeakPolarHBondContact CA-O 3.37Å; L138-V149 HydrophobicContact CD2-CB 4.25Å; L138-V149 HydrophobicContact CD2-CG1 4.12Å; L138-V149 HydrophobicContact CD2-CG2 3.78Å |
| 139 | A | 98 | Very high | 96.5 | Very high | 11 Ų | 11 | 28.1 Ų | 28.1 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 129.3 | 168 | 0 | 0 | 0 | 0 | 0 | 111.5 | A148 V180 F182 | A139-A148 HydrophobicContact CB-CB 4.48Å; A139-A148 PolarHBondContact N-O 3.04Å; A139-A148 PolarHBondContact O-N 3Å; A139-V180 HydrophobicContact CB-CG1 4.14Å; A139-V180 WeakPolarHBondContact CB-O 3.3Å; A139-F182 HydrophobicContact CB-CD2 4.16Å; A139-F182 WeakPolarHBondContact O-CD2 3.28Å; A139-F182 VanDerWaalsContact O-CE2 3.23Å; A139-F182 WeakPolarHBondContact O-CE2 3.5Å |
| 140 | L | 96.2 | Very high | 96.8 | Very high | 23 Ų | 23 | 26.6 Ų | 26.6 | 12% | 0.12 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 144.7 | 170.5 | -76 | 173 | 0 | 0 | 0 | 111 | V95 Y105 L147 L161 | V95-L140 HydrophobicContact CG1-CB 4.25Å; V95-L140 HydrophobicContact CG1-CD1 3.98Å; V95-L140 HydrophobicContact CG1-CG 4.11Å; Y105-L140 HydrophobicContact CD2-CD1 3.71Å; Y105-L140 HydrophobicContact CD2-CD2 4.48Å; Y105-L140 HydrophobicContact CD2-CG 4.48Å; Y105-L140 HydrophobicContact CE2-CD1 3.85Å; Y105-L140 HydrophobicContact CE2-CD2 4.35Å; L140-L147 HydrophobicContact CD2-CB 3.91Å; L140-L147 HydrophobicContact CD2-CD1 3.68Å; L140-L147 HydrophobicContact CD2-CG 4.4Å; L140-L147 HydrophobicContact CG-CD1 3.89Å; L140-L161 HydrophobicContact CD2-CD1 3.44Å; L140-L161 VanDerWaalsContact CD2-CD1 3.44Å |
| 141 | N | 95.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | trans | -74.1 | 162.8 | 168.3 | 75.1 | -13.9 | 0 | 0 | 0 | 110.9 | T143 G144 S145 A146 F182 | N141-T143 PolarHBondContact ND2-OG1 3.45Å; N141-T143 PolarHBondContact O-N 3.35Å; N141-T143 VanDerWaalsContact O-N 3.08Å; N141-T143 PolarHBondContact OD1-OG1 2.95Å; N141-G144 PolarHBondContact O-N 2.91Å; N141-G144 WeakPolarHBondContact OD1-CA 3.37Å; N141-G144 PolarHBondContact OD1-N 2.89Å; N141-S145 PolarHBondContact ND2-OG 3.28Å; N141-S145 PolarHBondContact OD1-N 3.19Å; N141-A146 HydrophobicContact CB-CB 4.45Å; N141-A146 PolarHBondContact N-O 3.44Å; N141-A146 PolarHBondContact OD1-N 2.98Å; N141-A146 PolarHBondContact OD1-O 3.35Å; N141-F182 HydrophobicContact CB-CB 4.4Å; N141-F182 HydrophobicContact CB-CD1 3.82Å; N141-F182 HydrophobicContact CB-CD2 3.85Å; N141-F182 HydrophobicContact CB-CE1 3.97Å; N141-F182 HydrophobicContact CB-CE2 3.97Å; N141-F182 HydrophobicContact CB-CG 3.76Å; N141-F182 HydrophobicContact CB-CZ 4.04Å; N141-F182 VanDerWaalsContact N-CD2 3.28Å | ||
| 142 | E | 90.8 | Very high | 96.9 | Very high | 101 Ų | 101 | 28.8 Ų | 28.8 | 47% | 0.472 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -28.4 | -177 | -66.5 | 178.1 | 157 | 0 | 0 | 113.4 | G144 P184 L185 | E142-G144 VanDerWaalsContact C-N 3.33Å; E142-P184 WeakPolarHBondContact OE1-CA 3.43Å; E142-P184 VanDerWaalsContact OE1-CB 3.25Å; E142-P184 WeakPolarHBondContact OE1-CB 3.46Å; E142-L185 VanDerWaalsContact CD-N 3.32Å; E142-L185 PolarHBondContact OE1-N 2.78Å; E142-L185 PolarHBondContact OE2-N 2.94Å; E142-L185 VanDerWaalsContact OE2-N 3.12Å |
| 143 | T | 91.2 | Very high | 96.9 | Very high | 78 Ų | 78 | 28 Ų | 28 | 48% | 0.479 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -7 | 178.8 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | A99 N141 S145 | A99-T143 WeakPolarHBondContact CB-O 3.32Å; N141-T143 PolarHBondContact ND2-OG1 3.45Å; N141-T143 PolarHBondContact O-N 3.35Å; N141-T143 VanDerWaalsContact O-N 3.08Å; N141-T143 PolarHBondContact OD1-OG1 2.95Å; T143-S145 PolarHBondContact O-N 3.41Å; T143-S145 PolarHBondContact OG1-OG 2.86Å |
| 144 | G | 92.7 | Very high | 96.9 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 64.3 | 13.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N141 E142 | N141-G144 PolarHBondContact O-N 2.91Å; N141-G144 WeakPolarHBondContact OD1-CA 3.37Å; N141-G144 PolarHBondContact OD1-N 2.89Å; E142-G144 VanDerWaalsContact C-N 3.33Å |
| 145 | S | 94.4 | Very high | 96.9 | Very high | 57 Ų | 57 | 21.1 Ų | 21.1 | 40% | 0.399 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -96.6 | -10.7 | -175.1 | 70.9 | 0 | 0 | 0 | 0 | 113.4 | N141 T143 L161 | N141-S145 PolarHBondContact ND2-OG 3.28Å; N141-S145 PolarHBondContact OD1-N 3.19Å; T143-S145 PolarHBondContact O-N 3.41Å; T143-S145 PolarHBondContact OG1-OG 2.86Å; S145-L161 PolarHBondContact O-N 2.95Å |
| 146 | A | 96.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 21.1 Ų | 21.1 | 7% | 0.074 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 134.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N141 V158 L159 F182 | N141-A146 HydrophobicContact CB-CB 4.45Å; N141-A146 PolarHBondContact N-O 3.44Å; N141-A146 PolarHBondContact OD1-N 2.98Å; N141-A146 PolarHBondContact OD1-O 3.35Å; A146-V158 HydrophobicContact CB-CG1 4.09Å; A146-L159 CarbonylContact C-O 3.49Å; A146-L159 WeakPolarHBondContact CA-O 3.25Å; A146-F182 HydrophobicContact CB-CZ 3.97Å |
| 147 | L | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122 | 174.5 | -179.2 | 66.9 | 0 | 0 | 0 | 108.9 | Y105 V112 L127 L138 L140 V149 V158 L159 L161 | Y105-L147 HydrophobicContact CD1-CD2 4.02Å; V112-L147 HydrophobicContact CG1-CD2 4.05Å; V112-L147 HydrophobicContact CG2-CD2 4.33Å; L127-L147 HydrophobicContact CD1-CD2 4.11Å; L138-L147 HydrophobicContact CB-CD1 4.2Å; L138-L147 HydrophobicContact CD2-CD1 4.33Å; L138-L147 HydrophobicContact CD2-CD2 4.34Å; L138-L147 HydrophobicContact CD2-CG 4.44Å; L140-L147 HydrophobicContact CD2-CB 3.91Å; L140-L147 HydrophobicContact CD2-CD1 3.68Å; L140-L147 HydrophobicContact CD2-CG 4.4Å; L140-L147 HydrophobicContact CG-CD1 3.89Å; L147-V149 HydrophobicContact CD2-CG2 4.22Å; L147-V149 HydrophobicContact CG-CG2 4.1Å; L147-V158 CarbonylContact O-C 3.57Å; L147-V158 WeakPolarHBondContact O-CA 2.93Å; L147-L159 HydrophobicContact CB-CB 4.41Å; L147-L159 HydrophobicContact CD2-CD1 4.4Å; L147-L159 PolarHBondContact N-O 2.87Å; L147-L159 PolarHBondContact O-N 3.07Å; L147-L161 HydrophobicContact CB-CD1 3.91Å; L147-L161 HydrophobicContact CB-CG 4.28Å |
| 148 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 136.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109 | L138 A139 V156 R157 V180 F182 L190 | L138-A148 WeakPolarHBondContact CA-O 3.37Å; A139-A148 HydrophobicContact CB-CB 4.48Å; A139-A148 PolarHBondContact N-O 3.04Å; A139-A148 PolarHBondContact O-N 3Å; A148-V156 HydrophobicContact CB-CG1 4.43Å; A148-R157 CarbonylContact C-O 3.1Å; A148-R157 WeakPolarHBondContact CA-O 3.39Å; A148-V180 HydrophobicContact CB-CG1 4.1Å; A148-V180 HydrophobicContact CB-CG2 3.75Å; A148-F182 HydrophobicContact CB-CD2 4.25Å; A148-F182 HydrophobicContact CB-CE2 3.6Å; A148-F182 HydrophobicContact CB-CZ 4.07Å; A148-L190 HydrophobicContact CB-CD2 4.09Å |
| 149 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 120 | -176.9 | -176.7 | 0 | 0 | 0 | 0 | 107.1 | A130 I135 L138 L147 V156 R157 L159 | A130-V149 HydrophobicContact CB-CG2 4.41Å; I135-V149 HydrophobicContact CB-CG1 4.27Å; I135-V149 HydrophobicContact CD1-CG1 3.64Å; I135-V149 HydrophobicContact CG1-CG1 3.59Å; I135-V149 HydrophobicContact CG2-CG1 3.72Å; L138-V149 HydrophobicContact CD2-CB 4.25Å; L138-V149 HydrophobicContact CD2-CG1 4.12Å; L138-V149 HydrophobicContact CD2-CG2 3.78Å; L147-V149 HydrophobicContact CD2-CG2 4.22Å; L147-V149 HydrophobicContact CG-CG2 4.1Å; V149-V156 CarbonylContact O-C 3.56Å; V149-V156 VanDerWaalsContact O-CA 3.22Å; V149-V156 WeakPolarHBondContact O-CA 3.43Å; V149-R157 HydrophobicContact CB-CB 4.48Å; V149-R157 PolarHBondContact N-O 3.37Å; V149-R157 PolarHBondContact O-N 2.84Å; V149-L159 HydrophobicContact CG2-CD1 4.02Å; V149-L159 HydrophobicContact CG2-CG 4.28Å |
| 150 | A | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | N136 S137 V156 V177 V180 | N136-A150 PolarHBondContact N-O 3.22Å; S137-A150 PolarHBondContact N-O 3.26Å; S137-A150 PolarHBondContact O-N 2.89Å; A150-V156 HydrophobicContact CB-CG2 4.25Å; A150-V177 HydrophobicContact CB-CB 3.87Å; A150-V177 HydrophobicContact CB-CG1 3.62Å; A150-V180 HydrophobicContact CB-CB 3.97Å; A150-V180 HydrophobicContact CB-CG1 3.82Å |
| 151 | D | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 172 | -171.8 | 66.1 | 33.3 | 0 | 0 | 0 | 114.4 | E132 E134 S153 G154 V155 V177 | E132-D151 PolarHBondContact N-OD2 2.83Å; E134-D151 CarbonylContact O-C 3.58Å; E134-D151 WeakPolarHBondContact O-CA 3.4Å; E134-D151 WeakPolarHBondContact O-CB 3.42Å; D151-S153 VanDerWaalsContact C-N 3.27Å; D151-S153 PolarHBondContact O-N 3.26Å; D151-S153 WeakPolarHBondContact OD1-CB 3.3Å; D151-S153 PolarHBondContact OD1-N 2.8Å; D151-S153 VanDerWaalsContact OD1-N 3.16Å; D151-S153 PolarHBondContact OD1-OG 3.1Å; D151-G154 PolarHBondContact O-N 2.87Å; D151-V155 PolarHBondContact N-O 2.91Å; D151-V155 VanDerWaalsContact N-O 3.15Å; D151-V155 WeakPolarHBondContact OD1-CB 3.32Å; D151-V155 PolarHBondContact OD1-N 2.96Å; D151-V155 VanDerWaalsContact OD1-N 3.07Å; D151-V177 PolarHBondContact O-N 2.89Å |
| 152 | D | 98.6 | Very high | 96.6 | Very high | 48 Ų | 48 | 26 Ų | 26 | 26% | 0.257 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -27.1 | -179.2 | -89 | 3 | 0 | 0 | 0 | 114 | E133 E134 N136 G154 I176 | E133-D152 HydrophobicContact CB-CB 3.92Å; E134-D152 HydrophobicContact CB-CB 4.37Å; E134-D152 PolarHBondContact O-N 2.93Å; N136-D152 PolarHBondContact ND2-N 2.77Å; N136-D152 PolarHBondContact ND2-OD1 2.85Å; N136-D152 PolarHBondContact OD1-OD1 2.87Å; D152-G154 PolarHBondContact O-N 2.89Å; D152-I176 HydrophobicContact CB-CG1 4.14Å; D152-I176 WeakPolarHBondContact O-CA 3.42Å; D152-I176 WeakPolarHBondContact O-CG1 3.49Å; D152-I176 WeakPolarHBondContact OD1-CG2 3.48Å |
| 153 | S | 98.3 | Very high | 96.5 | Very high | 37 Ų | 37 | 23.4 Ų | 23.4 | 26% | 0.259 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -3.9 | -179.8 | 81 | 0 | 0 | 0 | 0 | 113.7 | E133 D151 V155 | E133-S153 PolarHBondContact OE2-N 2.98Å; D151-S153 VanDerWaalsContact C-N 3.27Å; D151-S153 PolarHBondContact O-N 3.26Å; D151-S153 WeakPolarHBondContact OD1-CB 3.3Å; D151-S153 PolarHBondContact OD1-N 2.8Å; D151-S153 VanDerWaalsContact OD1-N 3.16Å; D151-S153 PolarHBondContact OD1-OG 3.1Å; S153-V155 WeakPolarHBondContact OG-CB 3.25Å; S153-V155 WeakPolarHBondContact OG-CG2 3.36Å |
| 154 | G | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 83.9 | 21.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D151 D152 N175 | D151-G154 PolarHBondContact O-N 2.87Å; D152-G154 PolarHBondContact O-N 2.89Å; G154-N175 WeakPolarHBondContact CA-O 3.32Å |
| 155 | V | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 143 | -174.5 | -178.1 | 0 | 0 | 0 | 0 | 111 | D151 S153 R157 T169 R171 | D151-V155 PolarHBondContact N-O 2.91Å; D151-V155 VanDerWaalsContact N-O 3.15Å; D151-V155 WeakPolarHBondContact OD1-CB 3.32Å; D151-V155 PolarHBondContact OD1-N 2.96Å; D151-V155 VanDerWaalsContact OD1-N 3.07Å; S153-V155 WeakPolarHBondContact OG-CB 3.25Å; S153-V155 WeakPolarHBondContact OG-CG2 3.36Å; V155-R157 HydrophobicContact CG1-CG 4.07Å; V155-T169 HydrophobicContact CG1-CG2 3.49Å; V155-T169 VanDerWaalsContact CG1-CG2 3.49Å; V155-R171 HydrophobicContact CG1-CG 4.44Å; V155-R171 HydrophobicContact CG2-CG 4.23Å |
| 156 | V | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 114.4 | 162.4 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | A148 V149 A150 L170 V177 V180 L190 | A148-V156 HydrophobicContact CB-CG1 4.43Å; V149-V156 CarbonylContact O-C 3.56Å; V149-V156 VanDerWaalsContact O-CA 3.22Å; V149-V156 WeakPolarHBondContact O-CA 3.43Å; A150-V156 HydrophobicContact CB-CG2 4.25Å; V156-L170 HydrophobicContact CB-CB 4.16Å; V156-L170 HydrophobicContact CB-CD1 4.29Å; V156-L170 HydrophobicContact CG1-CD1 4.22Å; V156-L170 PolarHBondContact N-O 2.9Å; V156-L170 WeakPolarHBondContact O-CB 3.22Å; V156-L170 PolarHBondContact O-N 3.07Å; V156-V177 HydrophobicContact CG2-CB 4.36Å; V156-V177 HydrophobicContact CG2-CG1 3.73Å; V156-V177 HydrophobicContact CG2-CG2 4.22Å; V156-V180 HydrophobicContact CG1-CG2 3.99Å; V156-L190 HydrophobicContact CG1-CD1 4.4Å |
| 157 | R | 98.5 | Very high | 96.9 | Very high | 46 Ų | 46 | 31.7 Ų | 31.7 | 17% | 0.174 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 143.2 | 171 | -75.6 | 177.9 | 171.9 | -162.7 | 3.4 | 110 | G129 A130 E132 A148 V149 V155 L159 V166 R168 T169 | G129-R157 PolarHBondContact O-NH1 2.91Å; A130-R157 WeakPolarHBondContact O-CD 3.49Å; E132-R157 VanDerWaalsContact CD-NH2 3.29Å; E132-R157 VanDerWaalsContact CG-CZ 3.47Å; E132-R157 IonicContact OE1-CZ 3.95Å; E132-R157 VanDerWaalsContact OE1-CZ 3.31Å; E132-R157 IonicContact OE1-NE 3.95Å; E132-R157 PolarHBondContact OE1-NE 2.81Å; E132-R157 IonicContact OE1-NH2 3.55Å; E132-R157 PolarHBondContact OE1-NH2 3.33Å; A148-R157 CarbonylContact C-O 3.1Å; A148-R157 WeakPolarHBondContact CA-O 3.39Å; V149-R157 HydrophobicContact CB-CB 4.48Å; V149-R157 PolarHBondContact N-O 3.37Å; V149-R157 PolarHBondContact O-N 2.84Å; V155-R157 HydrophobicContact CG1-CG 4.07Å; R157-L159 HydrophobicContact CB-CD2 4.5Å; R157-V166 HydrophobicContact CG-CG1 4.49Å; R157-R168 WeakPolarHBondContact CA-O 3.29Å; R157-T169 HydrophobicContact CG-CG2 4.2Å |
| 158 | V | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 112.8 | 172.3 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | A146 L147 N167 R168 L170 F182 L190 L204 | A146-V158 HydrophobicContact CB-CG1 4.09Å; L147-V158 CarbonylContact O-C 3.57Å; L147-V158 WeakPolarHBondContact O-CA 2.93Å; V158-N167 WeakPolarHBondContact O-CA 3.5Å; V158-N167 WeakPolarHBondContact O-CB 3.32Å; V158-N167 PolarHBondContact O-N 2.82Å; V158-R168 HydrophobicContact CB-CB 4.14Å; V158-R168 HydrophobicContact CG2-CB 4.37Å; V158-R168 PolarHBondContact N-O 2.72Å; V158-R168 PolarHBondContact O-N 3.31Å; V158-L170 HydrophobicContact CG2-CD1 4.44Å; V158-F182 HydrophobicContact CG1-CZ 4.17Å; V158-L190 HydrophobicContact CG2-CD2 3.7Å; V158-L204 HydrophobicContact CG1-CD1 4.12Å; V158-L204 HydrophobicContact CG2-CD2 3.86Å |
| 159 | L | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 139.2 | -179.4 | -49 | -179.1 | 0 | 0 | 0 | 110 | L127 A130 A146 L147 V149 R157 Q165 V166 | L127-L159 HydrophobicContact CB-CD1 4.43Å; L127-L159 HydrophobicContact CD1-CD1 4.02Å; A130-L159 HydrophobicContact CB-CD1 3.81Å; A146-L159 CarbonylContact C-O 3.49Å; A146-L159 WeakPolarHBondContact CA-O 3.25Å; L147-L159 HydrophobicContact CB-CB 4.41Å; L147-L159 HydrophobicContact CD2-CD1 4.4Å; L147-L159 PolarHBondContact N-O 2.87Å; L147-L159 PolarHBondContact O-N 3.07Å; V149-L159 HydrophobicContact CG2-CD1 4.02Å; V149-L159 HydrophobicContact CG2-CG 4.28Å; R157-L159 HydrophobicContact CB-CD2 4.5Å; L159-Q165 CarbonylContact C-O 3.52Å; L159-Q165 VanDerWaalsContact CA-O 3.28Å; L159-Q165 WeakPolarHBondContact CA-O 3.35Å; L159-V166 HydrophobicContact CD2-CB 4.16Å; L159-V166 HydrophobicContact CD2-CG2 3.53Å |
| 160 | G | 96.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 136.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | G164 Q165 N167 | G160-G164 WeakPolarHBondContact O-CA 3.43Å; G160-G164 PolarHBondContact O-N 3.25Å; G160-Q165 PolarHBondContact N-O 2.97Å; G160-Q165 PolarHBondContact O-N 3Å; G160-N167 WeakPolarHBondContact CA-ND2 3.01Å; G160-N167 PolarHBondContact N-ND2 3.03Å |
| 161 | L | 95.1 | Very high | 96.6 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 146 | -179.9 | -63.6 | 176.3 | 0 | 0 | 0 | 111.6 | Y105 L127 L140 S145 L147 | Y105-L161 HydrophobicContact CE1-CD1 3.89Å; Y105-L161 HydrophobicContact CE1-CD2 3.86Å; Y105-L161 HydrophobicContact CE2-CD1 4.28Å; Y105-L161 WeakPolarHBondContact OH-CD1 3.39Å; L127-L161 HydrophobicContact CD1-CD2 3.97Å; L140-L161 HydrophobicContact CD2-CD1 3.44Å; L140-L161 VanDerWaalsContact CD2-CD1 3.44Å; S145-L161 PolarHBondContact O-N 2.95Å; L147-L161 HydrophobicContact CB-CD1 3.91Å; L147-L161 HydrophobicContact CB-CG 4.28Å |
| 162 | P | 91.3 | Very high | 96.5 | Very high | 117 Ų | 117 | 52.9 Ų | 52.9 | 76% | 0.76 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -73.5 | 169.9 | -7.1 | 33.1 | -36.4 | 0 | 0 | 0 | 112.5 | ||
| 163 | G | 88.9 | Confident | 96.5 | Very high | 46 Ų | 46 | 51.3 Ų | 51.3 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.5 | -12.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | E125 Q165 | E125-G163 WeakPolarHBondContact OE1-CA 3.46Å; E125-G163 PolarHBondContact OE1-N 3.41Å; G163-Q165 VanDerWaalsContact C-N 3.33Å; G163-Q165 PolarHBondContact O-N 3.26Å |
| 164 | G | 94.4 | Very high | 96.5 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 23.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | G160 V166 | G160-G164 WeakPolarHBondContact O-CA 3.43Å; G160-G164 PolarHBondContact O-N 3.25Å; G164-V166 PolarHBondContact O-N 2.8Å |
| 165 | Q | 96.1 | Very high | 96.5 | Very high | 152 Ų | 152 | 58.8 Ų | 58.8 | 71% | 0.71 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 128.8 | 179.7 | -76.9 | -162.4 | -13.5 | 0 | 0 | 111.7 | L159 G160 G163 N167 | L159-Q165 CarbonylContact C-O 3.52Å; L159-Q165 VanDerWaalsContact CA-O 3.28Å; L159-Q165 WeakPolarHBondContact CA-O 3.35Å; G160-Q165 PolarHBondContact N-O 2.97Å; G160-Q165 PolarHBondContact O-N 3Å; G163-Q165 VanDerWaalsContact C-N 3.33Å; G163-Q165 PolarHBondContact O-N 3.26Å; Q165-N167 PolarHBondContact O-N 3.34Å |
| 166 | V | 97.3 | Very high | 96.5 | Very high | 67 Ų | 67 | 60.6 Ų | 60.6 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 104.7 | 177.1 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | R157 L159 G164 | R157-V166 HydrophobicContact CG-CG1 4.49Å; L159-V166 HydrophobicContact CD2-CB 4.16Å; L159-V166 HydrophobicContact CD2-CG2 3.53Å; G164-V166 PolarHBondContact O-N 2.8Å |
| 167 | N | 95.2 | Very high | 96.5 | Very high | 95 Ų | 95 | 60.5 Ų | 60.5 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -35.3 | 176.4 | -74 | -27.6 | 0 | 0 | 0 | 111.9 | V158 G160 Q165 | V158-N167 WeakPolarHBondContact O-CA 3.5Å; V158-N167 WeakPolarHBondContact O-CB 3.32Å; V158-N167 PolarHBondContact O-N 2.82Å; G160-N167 WeakPolarHBondContact CA-ND2 3.01Å; G160-N167 PolarHBondContact N-ND2 3.03Å; Q165-N167 PolarHBondContact O-N 3.34Å |
| 168 | R | 96.9 | Very high | 96.5 | Very high | 107 Ų | 107 | 59.2 Ų | 59.2 | 40% | 0.404 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 149.8 | 179.9 | -65 | -65 | -175.8 | 174.3 | -0.1 | 111.5 | R157 V158 L170 L204 | R157-R168 WeakPolarHBondContact CA-O 3.29Å; V158-R168 HydrophobicContact CB-CB 4.14Å; V158-R168 HydrophobicContact CG2-CB 4.37Å; V158-R168 PolarHBondContact N-O 2.72Å; V158-R168 PolarHBondContact O-N 3.31Å; R168-L170 HydrophobicContact CB-CD2 4.35Å; R168-L204 HydrophobicContact CG-CD2 4.39Å; R168-L204 VanDerWaalsContact CZ-O 3.23Å; R168-L204 PolarHBondContact NE-O 2.89Å; R168-L204 PolarHBondContact NH2-O 2.97Å |
| 169 | T | 97.6 | Very high | 96.5 | Very high | 58 Ų | 58 | 59.6 Ų | 59.6 | 36% | 0.356 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 115.1 | 170 | -49 | 0 | 0 | 0 | 0 | 107.7 | V155 R157 R171 | V155-T169 HydrophobicContact CG1-CG2 3.49Å; V155-T169 VanDerWaalsContact CG1-CG2 3.49Å; R157-T169 HydrophobicContact CG-CG2 4.2Å; T169-R171 HydrophobicContact CG2-CG 3.96Å |
| 170 | L | 97.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 101.5 | -173.8 | -52.3 | 177.7 | 0 | 0 | 0 | 108.6 | V156 V158 R168 L190 W202 L204 | V156-L170 HydrophobicContact CB-CB 4.16Å; V156-L170 HydrophobicContact CB-CD1 4.29Å; V156-L170 HydrophobicContact CG1-CD1 4.22Å; V156-L170 PolarHBondContact N-O 2.9Å; V156-L170 WeakPolarHBondContact O-CB 3.22Å; V156-L170 PolarHBondContact O-N 3.07Å; V158-L170 HydrophobicContact CG2-CD1 4.44Å; R168-L170 HydrophobicContact CB-CD2 4.35Å; L170-L190 HydrophobicContact CD1-CD1 3.97Å; L170-L190 HydrophobicContact CD1-CD2 4.18Å; L170-L190 HydrophobicContact CD1-CG 4.43Å; L170-W202 HydrophobicContact CB-CD2 4.25Å; L170-W202 HydrophobicContact CB-CE3 4.08Å; L170-W202 HydrophobicContact CB-CH2 3.8Å; L170-W202 HydrophobicContact CB-CZ2 4.05Å; L170-W202 HydrophobicContact CB-CZ3 3.85Å; L170-W202 HydrophobicContact CD1-CB 4.07Å; L170-W202 HydrophobicContact CD1-CD2 3.8Å; L170-W202 HydrophobicContact CD1-CE3 4.07Å; L170-W202 HydrophobicContact CD1-CG 3.81Å; L170-W202 HydrophobicContact CD2-CD2 4.48Å; L170-W202 HydrophobicContact CD2-CE3 3.9Å; L170-W202 HydrophobicContact CD2-CZ3 4.13Å; L170-W202 HydrophobicContact CG-CD2 4.4Å; L170-W202 HydrophobicContact CG-CE3 4.24Å; L170-W202 HydrophobicContact CG-CZ3 4.43Å; L170-L204 HydrophobicContact CD1-CD2 4.35Å |
| 171 | R | 95.8 | Very high | 96.7 | Very high | 141 Ų | 141 | 59.9 Ų | 59.9 | 53% | 0.532 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 97 | -175.1 | -59.3 | -171.9 | 177.4 | -92.4 | 8 | 111 | E132 V155 T169 | E132-R171 IonicContact OE1-CZ 3.15Å; E132-R171 VanDerWaalsContact OE1-CZ 3.29Å; E132-R171 IonicContact OE1-NH1 2.7Å; E132-R171 IonicContact OE1-NH2 2.75Å; E132-R171 PolarHBondContact OE1-NH2 3.2Å; E132-R171 IonicContact OE2-CZ 2.9Å; E132-R171 IonicContact OE2-NH1 3.05Å; E132-R171 PolarHBondContact OE2-NH1 3.22Å; E132-R171 IonicContact OE2-NH2 3.67Å; E132-R171 PolarHBondContact OE2-NH2 2.85Å; V155-R171 HydrophobicContact CG1-CG 4.44Å; V155-R171 HydrophobicContact CG2-CG 4.23Å; T169-R171 HydrophobicContact CG2-CG 3.96Å |
| 172 | R | 97 | Very high | 96.8 | Very high | 132 Ų | 132 | 59.6 Ų | 59.6 | 50% | 0.498 | 32% | 0.318 | S | S | . | . | trans | -148.7 | -27.7 | 173.1 | -70.5 | -61.9 | -77.4 | 174 | -1.8 | 114.5 | M200 W202 P209 | R172-M200 HydrophobicContact CB-CE 3.79Å; R172-M200 HydrophobicContact CB-SD 3.66Å; R172-W202 HydrophobicContact CB-CH2 3.6Å; R172-W202 HydrophobicContact CB-CZ2 4.03Å; R172-W202 HydrophobicContact CG-CH2 3.42Å; R172-W202 VanDerWaalsContact CG-CH2 3.42Å; R172-W202 HydrophobicContact CG-CZ2 4.31Å; R172-W202 HydrophobicContact CG-CZ3 4.09Å; R172-P209 HydrophobicContact CG-CG 4.31Å | ||
| 173 | H | 98.1 | Very high | 97 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 7% | 0.069 | 28% | 0.282 | C | S | . | . | trans | -61.7 | 141.6 | 173.3 | -75.4 | -76.5 | 0 | 0 | 0 | 109.4 | V177 S192 D196 Q198 | H173-V177 HydrophobicContact CB-CG2 3.81Å; H173-S192 PolarHBondContact NE2-OG 3.48Å; H173-D196 WeakPolarHBondContact CA-OD2 3.42Å; H173-D196 WeakPolarHBondContact CB-OD2 3.44Å; H173-D196 IonicContact CE1-OD1 3.65Å; H173-D196 IonicContact CG-OD2 3.6Å; H173-D196 VanDerWaalsContact ND1-CG 3.29Å; H173-D196 IonicContact ND1-OD1 2.66Å; H173-D196 PolarHBondContact ND1-OD1 3.1Å; H173-D196 IonicContact ND1-OD2 3.76Å; H173-D196 PolarHBondContact ND1-OD2 3.06Å; H173-Q198 PolarHBondContact CE1-O 2.86Å | ||
| 174 | T | 98.1 | Very high | 97.2 | Very high | 121 Ų | 121 | 53 Ų | 53 | 74% | 0.742 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -101.7 | 4.1 | -179.1 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | D196 | T174-D196 PolarHBondContact N-OD2 3.3Å; T174-D196 WeakPolarHBondContact OG1-CB 3.38Å |
| 175 | N | 98.3 | Very high | 97.1 | Very high | 74 Ų | 74 | 57.9 Ų | 57.9 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -152.7 | 177.9 | 179.3 | -158.2 | -3.9 | 0 | 0 | 0 | 108.3 | G154 V177 L195 D196 | G154-N175 WeakPolarHBondContact CA-O 3.32Å; N175-V177 PolarHBondContact O-N 2.88Å; N175-L195 HydrophobicContact CB-CB 4.45Å; N175-L195 PolarHBondContact ND2-O 2.57Å; N175-L195 VanDerWaalsContact ND2-O 3.13Å; N175-D196 HydrophobicContact CB-CB 3.85Å |
| 176 | I | 98.6 | Very high | 96.9 | Very high | 41 Ų | 41 | 55.8 Ų | 55.8 | 21% | 0.21 | 27% | 0.273 | C | S | . | . | trans | -41.1 | 129.6 | 178.7 | -63.5 | 175.9 | 0 | 0 | 0 | 112.1 | N136 D152 G194 L195 | N136-I176 WeakPolarHBondContact ND2-CG2 3.48Å; D152-I176 HydrophobicContact CB-CG1 4.14Å; D152-I176 WeakPolarHBondContact O-CA 3.42Å; D152-I176 WeakPolarHBondContact O-CG1 3.49Å; D152-I176 WeakPolarHBondContact OD1-CG2 3.48Å; I176-G194 CarbonylContact O-C 3.57Å; I176-G194 WeakPolarHBondContact O-CA 3.16Å; I176-L195 HydrophobicContact CB-CB 4.39Å; I176-L195 HydrophobicContact CB-CD1 3.89Å; I176-L195 HydrophobicContact CB-CG 4.01Å; I176-L195 HydrophobicContact CD1-CD1 3.96Å; I176-L195 HydrophobicContact CG1-CD1 4.39Å; I176-L195 HydrophobicContact CG2-CD1 4.18Å; I176-L195 HydrophobicContact CG2-CG 4.27Å; I176-L195 PolarHBondContact O-N 3.36Å | ||
| 177 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -89.8 | 103.2 | 168.5 | -165.9 | 0 | 0 | 0 | 0 | 108.3 | N136 A150 D151 V156 H173 N175 A193 | N136-V177 WeakPolarHBondContact CB-O 3.49Å; N136-V177 PolarHBondContact ND2-O 3.23Å; A150-V177 HydrophobicContact CB-CB 3.87Å; A150-V177 HydrophobicContact CB-CG1 3.62Å; D151-V177 PolarHBondContact O-N 2.89Å; V156-V177 HydrophobicContact CG2-CB 4.36Å; V156-V177 HydrophobicContact CG2-CG1 3.73Å; V156-V177 HydrophobicContact CG2-CG2 4.22Å; H173-V177 HydrophobicContact CB-CG2 3.81Å; N175-V177 PolarHBondContact O-N 2.88Å; V177-A193 CarbonylContact C-O 3.49Å; V177-A193 WeakPolarHBondContact CG1-O 3.34Å | ||
| 178 | S | 98.6 | Very high | 96.2 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | trans | -76 | -29.6 | -176.1 | 54 | 0 | 0 | 0 | 0 | 113 | S137 A193 A238 H239 | S137-S178 WeakPolarHBondContact CB-O 2.82Å; S178-A193 PolarHBondContact N-O 2.98Å; S178-A193 PolarHBondContact OG-O 2.84Å; S178-A238 WeakPolarHBondContact CB-O 3.48Å; S178-A238 PolarHBondContact OG-O 2.66Å; S178-H239 WeakPolarHBondContact CB-O 3.21Å; S178-H239 PolarHBondContact OG-O 3.22Å | ||
| 179 | S | 98.8 | Very high | 96.1 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.063 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 144 | -172.4 | -172.7 | 0 | 0 | 0 | 0 | 113.7 | S192 A193 H239 V241 | S179-S192 WeakPolarHBondContact O-CA 3.39Å; S179-A193 PolarHBondContact N-O 2.8Å; S179-A193 PolarHBondContact O-N 3.24Å; S179-H239 WeakPolarHBondContact CB-O 3.43Å; S179-V241 WeakPolarHBondContact OG-CG2 3.46Å; S179-V241 PolarHBondContact OG-N 3.01Å |
| 180 | V | 98.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 144 | 174.4 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | S137 A139 A148 A150 V156 L190 V191 | S137-V180 PolarHBondContact OG-N 2.91Å; A139-V180 HydrophobicContact CB-CG1 4.14Å; A139-V180 WeakPolarHBondContact CB-O 3.3Å; A148-V180 HydrophobicContact CB-CG1 4.1Å; A148-V180 HydrophobicContact CB-CG2 3.75Å; A150-V180 HydrophobicContact CB-CB 3.97Å; A150-V180 HydrophobicContact CB-CG1 3.82Å; V156-V180 HydrophobicContact CG1-CG2 3.99Å; V180-L190 HydrophobicContact CG2-CD1 3.94Å; V180-V191 CarbonylContact C-O 3.52Å; V180-V191 WeakPolarHBondContact CA-O 3.38Å; V180-V191 WeakPolarHBondContact CG2-O 3.42Å |
| 181 | A | 98.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 12% | 0.116 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 131.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L190 V191 V241 V243 | A181-L190 CarbonylContact O-C 3.53Å; A181-L190 VanDerWaalsContact O-CA 3.28Å; A181-L190 WeakPolarHBondContact O-CA 3.44Å; A181-L190 WeakPolarHBondContact O-CB 3.28Å; A181-V191 PolarHBondContact N-O 3.15Å; A181-V191 PolarHBondContact O-N 2.76Å; A181-V241 HydrophobicContact CB-CG2 4.41Å; A181-V243 HydrophobicContact CB-CG2 4.03Å |
| 182 | F | 97.8 | Very high | 96.3 | Very high | 18 Ų | 18 | 40 Ų | 40 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 144.4 | 167.4 | -85.5 | -78.6 | 0 | 0 | 0 | 110.6 | A139 N141 A146 A148 V158 P184 L190 L204 | A139-F182 HydrophobicContact CB-CD2 4.16Å; A139-F182 WeakPolarHBondContact O-CD2 3.28Å; A139-F182 VanDerWaalsContact O-CE2 3.23Å; A139-F182 WeakPolarHBondContact O-CE2 3.5Å; N141-F182 HydrophobicContact CB-CB 4.4Å; N141-F182 HydrophobicContact CB-CD1 3.82Å; N141-F182 HydrophobicContact CB-CD2 3.85Å; N141-F182 HydrophobicContact CB-CE1 3.97Å; N141-F182 HydrophobicContact CB-CE2 3.97Å; N141-F182 HydrophobicContact CB-CG 3.76Å; N141-F182 HydrophobicContact CB-CZ 4.04Å; N141-F182 VanDerWaalsContact N-CD2 3.28Å; A146-F182 HydrophobicContact CB-CZ 3.97Å; A148-F182 HydrophobicContact CB-CD2 4.25Å; A148-F182 HydrophobicContact CB-CE2 3.6Å; A148-F182 HydrophobicContact CB-CZ 4.07Å; V158-F182 HydrophobicContact CG1-CZ 4.17Å; F182-P184 WeakPolarHBondContact O-CD 3.39Å; F182-L190 HydrophobicContact CD1-CB 3.99Å; F182-L190 HydrophobicContact CE1-CB 4.28Å; F182-L190 HydrophobicContact CE1-CD2 4.06Å; F182-L190 HydrophobicContact CG-CB 4.39Å; F182-L190 HydrophobicContact CZ-CD2 4.22Å; F182-L204 HydrophobicContact CE1-CD1 4.26Å |
| 183 | R | 96.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -83.2 | 119.5 | 176.5 | -177.6 | -178.5 | 172 | -170.6 | 1.2 | 109.6 | R186 N189 V243 G247 N248 S268 | R183-R186 HydrophobicContact CB-CB 4.36Å; R183-R186 HydrophobicContact CG-CB 4.11Å; R183-R186 CarbonylContact O-C 3.59Å; R183-R186 PolarHBondContact O-N 3.15Å; R183-N189 HydrophobicContact CB-CB 3.99Å; R183-N189 WeakPolarHBondContact CB-O 3.26Å; R183-N189 PolarHBondContact N-O 2.91Å; R183-N189 PolarHBondContact NH1-ND2 2.89Å; R183-V243 HydrophobicContact CG-CG1 4.31Å; R183-G247 WeakPolarHBondContact CD-O 3.39Å; R183-G247 WeakPolarHBondContact CG-O 3.3Å; R183-G247 PolarHBondContact NE-O 3.03Å; R183-G247 PolarHBondContact NH2-O 3.08Å; R183-N248 PolarHBondContact NH2-OD1 2.83Å; R183-S268 PolarHBondContact NH1-OG 3.14Å |
| 184 | P | 93.4 | Very high | 96.4 | Very high | 20 Ų | 20 | 33 Ų | 33 | 13% | 0.13 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 148.8 | 175.2 | -28.4 | 37.6 | 0 | 0 | 0 | 112.9 | E142 F182 R186 V243 | E142-P184 WeakPolarHBondContact OE1-CA 3.43Å; E142-P184 VanDerWaalsContact OE1-CB 3.25Å; E142-P184 WeakPolarHBondContact OE1-CB 3.46Å; F182-P184 WeakPolarHBondContact O-CD 3.39Å; P184-R186 PolarHBondContact O-N 3.13Å; P184-V243 HydrophobicContact CG-CB 4.49Å; P184-V243 HydrophobicContact CG-CG1 4.26Å |
| 185 | L | 91.3 | Very high | 96.4 | Very high | 117 Ų | 117 | 29 Ų | 29 | 61% | 0.613 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 5.5 | -178.1 | -47.2 | 174.4 | 0 | 0 | 0 | 114.5 | E142 | E142-L185 VanDerWaalsContact CD-N 3.32Å; E142-L185 PolarHBondContact OE1-N 2.78Å; E142-L185 PolarHBondContact OE2-N 2.94Å; E142-L185 VanDerWaalsContact OE2-N 3.12Å |
| 186 | R | 91.8 | Very high | 96.4 | Very high | 107 Ų | 107 | 26 Ų | 26 | 40% | 0.404 | 14% | 0.137 | S | C | . | . | trans | -144.2 | 71.7 | -175.8 | -65.3 | -61.5 | -122.1 | -79.9 | -0.6 | 110.1 | R183 P184 N188 N189 | R183-R186 HydrophobicContact CB-CB 4.36Å; R183-R186 HydrophobicContact CG-CB 4.11Å; R183-R186 CarbonylContact O-C 3.59Å; R183-R186 PolarHBondContact O-N 3.15Å; P184-R186 PolarHBondContact O-N 3.13Å; R186-N188 PolarHBondContact O-N 2.98Å; R186-N189 HydrophobicContact CB-CB 4.18Å; R186-N189 PolarHBondContact O-N 2.62Å | ||
| 187 | P | 86.1 | Confident | 96.4 | Very high | 52 Ų | 52 | 26.2 Ų | 26.2 | 34% | 0.338 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.1 | -169.7 | 24.1 | -35.7 | 0 | 0 | 0 | 115 | ||
| 188 | N | 91.1 | Very high | 96.3 | Very high | 79 Ų | 79 | 28.3 Ų | 28.3 | 42% | 0.422 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 9.6 | 176.6 | -70 | -25.7 | 0 | 0 | 0 | 113.8 | R186 S203 L204 | R186-N188 PolarHBondContact O-N 2.98Å; N188-S203 CarbonylContact O-C 3.48Å; N188-S203 WeakPolarHBondContact O-CA 3.43Å; N188-L204 WeakPolarHBondContact O-CG 3.08Å; N188-L204 PolarHBondContact O-N 3.08Å |
| 189 | N | 95.6 | Very high | 96.3 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.064 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.9 | 178.2 | -66.2 | -9.4 | 0 | 0 | 0 | 110 | R183 R186 W202 S203 | R183-N189 HydrophobicContact CB-CB 3.99Å; R183-N189 WeakPolarHBondContact CB-O 3.26Å; R183-N189 PolarHBondContact N-O 2.91Å; R183-N189 PolarHBondContact NH1-ND2 2.89Å; R186-N189 HydrophobicContact CB-CB 4.18Å; R186-N189 PolarHBondContact O-N 2.62Å; N189-W202 VanDerWaalsContact CA-O 3.26Å; N189-W202 WeakPolarHBondContact CA-O 3.45Å; N189-W202 WeakPolarHBondContact CB-O 3.18Å; N189-S203 PolarHBondContact OD1-OG 2.8Å |
| 190 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 160.3 | 174 | 62.9 | 84.1 | 0 | 0 | 0 | 109.6 | A148 V156 V158 L170 V180 A181 F182 W202 L204 | A148-L190 HydrophobicContact CB-CD2 4.09Å; V156-L190 HydrophobicContact CG1-CD1 4.4Å; V158-L190 HydrophobicContact CG2-CD2 3.7Å; L170-L190 HydrophobicContact CD1-CD1 3.97Å; L170-L190 HydrophobicContact CD1-CD2 4.18Å; L170-L190 HydrophobicContact CD1-CG 4.43Å; V180-L190 HydrophobicContact CG2-CD1 3.94Å; A181-L190 CarbonylContact O-C 3.53Å; A181-L190 VanDerWaalsContact O-CA 3.28Å; A181-L190 WeakPolarHBondContact O-CA 3.44Å; A181-L190 WeakPolarHBondContact O-CB 3.28Å; F182-L190 HydrophobicContact CD1-CB 3.99Å; F182-L190 HydrophobicContact CE1-CB 4.28Å; F182-L190 HydrophobicContact CE1-CD2 4.06Å; F182-L190 HydrophobicContact CG-CB 4.39Å; F182-L190 HydrophobicContact CZ-CD2 4.22Å; L190-W202 HydrophobicContact CD1-CB 3.9Å; L190-W202 VanDerWaalsContact CD1-CD1 3.45Å; L190-W202 HydrophobicContact CD1-CG 3.88Å; L190-W202 HydrophobicContact CG-CB 4.1Å; L190-W202 PolarHBondContact N-O 3.25Å; L190-W202 PolarHBondContact O-N 3.26Å; L190-L204 HydrophobicContact CD2-CD2 3.91Å |
| 191 | V | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.6 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | V180 A181 V199 M200 L201 V241 V243 L250 | V180-V191 CarbonylContact C-O 3.52Å; V180-V191 WeakPolarHBondContact CA-O 3.38Å; V180-V191 WeakPolarHBondContact CG2-O 3.42Å; A181-V191 PolarHBondContact N-O 3.15Å; A181-V191 PolarHBondContact O-N 2.76Å; V191-V199 HydrophobicContact CG1-CG1 3.59Å; V191-M200 CarbonylContact C-O 3.58Å; V191-M200 VanDerWaalsContact CA-O 3.28Å; V191-M200 WeakPolarHBondContact CA-O 3.29Å; V191-L201 HydrophobicContact CG2-CD1 3.59Å; V191-V241 HydrophobicContact CG1-CB 4.4Å; V191-V241 HydrophobicContact CG1-CG1 4.26Å; V191-V241 HydrophobicContact CG1-CG2 4.47Å; V191-V243 HydrophobicContact CG2-CG2 4.38Å; V191-L250 HydrophobicContact CG1-CD1 4.43Å; V191-L250 HydrophobicContact CG2-CD1 3.87Å; V191-L250 HydrophobicContact CG2-CD2 3.96Å |
| 192 | S | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 152.6 | 171.3 | 64.2 | 0 | 0 | 0 | 0 | 110.6 | H173 S179 V199 M200 W202 | H173-S192 PolarHBondContact NE2-OG 3.48Å; S179-S192 WeakPolarHBondContact O-CA 3.39Å; S192-V199 CarbonylContact O-C 3.53Å; S192-V199 WeakPolarHBondContact O-CA 3.33Å; S192-M200 PolarHBondContact N-O 3.26Å; S192-M200 PolarHBondContact O-N 2.69Å; S192-W202 PolarHBondContact OG-NE1 2.87Å |
| 193 | A | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 148.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | V177 S178 S179 Q198 V199 A238 V241 | V177-A193 CarbonylContact C-O 3.49Å; V177-A193 WeakPolarHBondContact CG1-O 3.34Å; S178-A193 PolarHBondContact N-O 2.98Å; S178-A193 PolarHBondContact OG-O 2.84Å; S179-A193 PolarHBondContact N-O 2.8Å; S179-A193 PolarHBondContact O-N 3.24Å; A193-Q198 WeakPolarHBondContact CA-O 3.37Å; A193-V199 HydrophobicContact CB-CG2 4.37Å; A193-A238 HydrophobicContact CB-CB 3.72Å; A193-V241 HydrophobicContact CB-CB 4.34Å; A193-V241 HydrophobicContact CB-CG1 3.31Å; A193-V241 HydrophobicContact CB-CG2 4.19Å |
| 194 | G | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -149.3 | 172.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I176 D196 M197 Q198 A238 | I176-G194 CarbonylContact O-C 3.57Å; I176-G194 WeakPolarHBondContact O-CA 3.16Å; G194-D196 PolarHBondContact O-N 3.19Å; G194-D196 VanDerWaalsContact O-N 3.1Å; G194-M197 PolarHBondContact O-N 2.89Å; G194-Q198 PolarHBondContact N-O 2.97Å; G194-A238 CarbonylContact C-O 3.36Å; G194-A238 WeakPolarHBondContact O-CB 3.33Å; G194-A238 PolarHBondContact O-N 2.79Å | ||
| 195 | L | 98.5 | Very high | 96.1 | Very high | 37 Ų | 37 | 32.5 Ų | 32.5 | 19% | 0.194 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 7.3 | 177.2 | -52.5 | -172.4 | 0 | 0 | 0 | 112.6 | N175 I176 L237 | N175-L195 HydrophobicContact CB-CB 4.45Å; N175-L195 PolarHBondContact ND2-O 2.57Å; N175-L195 VanDerWaalsContact ND2-O 3.13Å; I176-L195 HydrophobicContact CB-CB 4.39Å; I176-L195 HydrophobicContact CB-CD1 3.89Å; I176-L195 HydrophobicContact CB-CG 4.01Å; I176-L195 HydrophobicContact CD1-CD1 3.96Å; I176-L195 HydrophobicContact CG1-CD1 4.39Å; I176-L195 HydrophobicContact CG2-CD1 4.18Å; I176-L195 HydrophobicContact CG2-CG 4.27Å; I176-L195 PolarHBondContact O-N 3.36Å; L195-L237 HydrophobicContact CD2-CB 3.9Å; L195-L237 WeakPolarHBondContact O-CD2 3.43Å |
| 196 | D | 98.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 6% | 0.059 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 7.8 | 164 | 62.6 | -0.9 | 0 | 0 | 0 | 112.4 | H173 T174 N175 G194 Q198 | H173-D196 WeakPolarHBondContact CA-OD2 3.42Å; H173-D196 WeakPolarHBondContact CB-OD2 3.44Å; H173-D196 IonicContact CE1-OD1 3.65Å; H173-D196 IonicContact CG-OD2 3.6Å; H173-D196 VanDerWaalsContact ND1-CG 3.29Å; H173-D196 IonicContact ND1-OD1 2.66Å; H173-D196 PolarHBondContact ND1-OD1 3.1Å; H173-D196 IonicContact ND1-OD2 3.76Å; H173-D196 PolarHBondContact ND1-OD2 3.06Å; T174-D196 PolarHBondContact N-OD2 3.3Å; T174-D196 WeakPolarHBondContact OG1-CB 3.38Å; N175-D196 HydrophobicContact CB-CB 3.85Å; G194-D196 PolarHBondContact O-N 3.19Å; G194-D196 VanDerWaalsContact O-N 3.1Å; D196-Q198 PolarHBondContact O-N 3.25Å; D196-Q198 WeakPolarHBondContact OD1-CB 3.43Å; D196-Q198 PolarHBondContact OD1-N 2.87Å; D196-Q198 VanDerWaalsContact OD1-N 3.08Å |
| 197 | M | 98 | Very high | 96.1 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 23% | 0.227 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 65.1 | 19.6 | -178.9 | -49.6 | 165.5 | -72.3 | 0 | 0 | 112.6 | G194 L215 Q216 P235 P236 L237 | G194-M197 PolarHBondContact O-N 2.89Å; M197-L215 WeakPolarHBondContact O-CB 3.36Å; M197-L215 WeakPolarHBondContact O-CG 3.36Å; M197-L215 PolarHBondContact O-N 2.88Å; M197-Q216 HydrophobicContact CE-CB 4.3Å; M197-Q216 HydrophobicContact SD-CB 3.84Å; M197-Q216 HydrophobicContact SD-CG 4.35Å; M197-P235 HydrophobicContact SD-CB 3.87Å; M197-P236 HydrophobicContact CB-CG 4.5Å; M197-P236 HydrophobicContact CG-CG 4.46Å; M197-P236 HydrophobicContact SD-CG 4.45Å; M197-L237 HydrophobicContact CG-CD2 3.88Å |
| 198 | Q | 98.3 | Very high | 96.5 | Very high | 44 Ų | 44 | 39.2 Ų | 39.2 | 21% | 0.206 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 141.8 | -178.9 | -57.5 | -166.9 | -3 | 0 | 0 | 111.8 | H173 A193 G194 D196 M200 T212 L213 | H173-Q198 PolarHBondContact CE1-O 2.86Å; A193-Q198 WeakPolarHBondContact CA-O 3.37Å; G194-Q198 PolarHBondContact N-O 2.97Å; D196-Q198 PolarHBondContact O-N 3.25Å; D196-Q198 WeakPolarHBondContact OD1-CB 3.43Å; D196-Q198 PolarHBondContact OD1-N 2.87Å; D196-Q198 VanDerWaalsContact OD1-N 3.08Å; Q198-M200 HydrophobicContact CB-CE 4.09Å; Q198-T212 HydrophobicContact CB-CG2 4.16Å; Q198-T212 HydrophobicContact CG-CG2 4.27Å; Q198-L213 CarbonylContact C-O 3.57Å; Q198-L213 VanDerWaalsContact CA-O 3.3Å; Q198-L213 WeakPolarHBondContact CA-O 3.38Å |
| 199 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.3 | 163.4 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | V191 S192 A193 W211 T212 L213 L215 V241 C252 M262 | V191-V199 HydrophobicContact CG1-CG1 3.59Å; S192-V199 CarbonylContact O-C 3.53Å; S192-V199 WeakPolarHBondContact O-CA 3.33Å; A193-V199 HydrophobicContact CB-CG2 4.37Å; V199-W211 HydrophobicContact CG1-CH2 4.38Å; V199-W211 HydrophobicContact CG1-CZ3 4.26Å; V199-W211 WeakPolarHBondContact O-CZ3 3.45Å; V199-T212 WeakPolarHBondContact O-CA 3.21Å; V199-L213 PolarHBondContact N-O 3.29Å; V199-L213 PolarHBondContact O-N 2.92Å; V199-L215 HydrophobicContact CG2-CD1 4.18Å; V199-L215 HydrophobicContact CG2-CD2 4.11Å; V199-L215 HydrophobicContact CG2-CG 4.27Å; V199-V241 HydrophobicContact CG1-CG1 4.29Å; V199-C252 HydrophobicContact CG2-CB 4.01Å; V199-C252 VanDerWaalsContact CG2-SG 3.58Å; V199-M262 HydrophobicContact CB-CE 4.12Å; V199-M262 HydrophobicContact CG1-CE 3.67Å; V199-M262 HydrophobicContact CG2-CE 4.11Å |
| 200 | M | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.1 | -177 | -60.8 | -169.9 | -168.9 | 0 | 0 | 111.1 | R172 V191 S192 Q198 W202 P209 T212 | R172-M200 HydrophobicContact CB-CE 3.79Å; R172-M200 HydrophobicContact CB-SD 3.66Å; V191-M200 CarbonylContact C-O 3.58Å; V191-M200 VanDerWaalsContact CA-O 3.28Å; V191-M200 WeakPolarHBondContact CA-O 3.29Å; S192-M200 PolarHBondContact N-O 3.26Å; S192-M200 PolarHBondContact O-N 2.69Å; Q198-M200 HydrophobicContact CB-CE 4.09Å; M200-W202 HydrophobicContact CB-CZ2 4.2Å; M200-W202 HydrophobicContact SD-CH2 4.17Å; M200-W202 HydrophobicContact SD-CZ2 3.45Å; M200-W202 WeakPolarHBondContact SD-CZ2 3.46Å; M200-P209 HydrophobicContact CB-CB 4.2Å; M200-P209 HydrophobicContact SD-CB 4.37Å; M200-P209 HydrophobicContact SD-CG 4.19Å; M200-T212 HydrophobicContact CE-CG2 4.04Å; M200-T212 HydrophobicContact CG-CG2 4.03Å |
| 201 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128.7 | 165.6 | 179.3 | 71.4 | 0 | 0 | 0 | 109.7 | V191 P209 V210 W211 V264 S268 | V191-L201 HydrophobicContact CG2-CD1 3.59Å; L201-P209 CarbonylContact O-C 3.55Å; L201-P209 WeakPolarHBondContact O-CA 3.43Å; L201-V210 HydrophobicContact CD2-CB 4.29Å; L201-V210 HydrophobicContact CD2-CG1 4.43Å; L201-V210 HydrophobicContact CG-CB 4.35Å; L201-V210 WeakPolarHBondContact O-CB 3.37Å; L201-V210 PolarHBondContact O-N 3.04Å; L201-W211 HydrophobicContact CB-CD2 3.75Å; L201-W211 HydrophobicContact CB-CE3 4.27Å; L201-W211 HydrophobicContact CB-CG 4.27Å; L201-W211 HydrophobicContact CB-CH2 3.93Å; L201-W211 HydrophobicContact CB-CZ2 3.38Å; L201-W211 HydrophobicContact CB-CZ3 4.35Å; L201-W211 HydrophobicContact CD2-CZ2 4.06Å; L201-W211 HydrophobicContact CG-CZ2 4.24Å; L201-W211 PolarHBondContact N-O 3.41Å; L201-W211 VanDerWaalsContact N-O 3.1Å; L201-V264 HydrophobicContact CD2-CG1 4.05Å; L201-V264 HydrophobicContact CD2-CG2 4.45Å; L201-S268 WeakPolarHBondContact CD2-O 3.5Å |
| 202 | W | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 152.3 | 179.8 | -58.6 | 88.9 | 0 | 0 | 0 | 111.5 | L170 R172 N189 L190 S192 M200 P209 | L170-W202 HydrophobicContact CB-CD2 4.25Å; L170-W202 HydrophobicContact CB-CE3 4.08Å; L170-W202 HydrophobicContact CB-CH2 3.8Å; L170-W202 HydrophobicContact CB-CZ2 4.05Å; L170-W202 HydrophobicContact CB-CZ3 3.85Å; L170-W202 HydrophobicContact CD1-CB 4.07Å; L170-W202 HydrophobicContact CD1-CD2 3.8Å; L170-W202 HydrophobicContact CD1-CE3 4.07Å; L170-W202 HydrophobicContact CD1-CG 3.81Å; L170-W202 HydrophobicContact CD2-CD2 4.48Å; L170-W202 HydrophobicContact CD2-CE3 3.9Å; L170-W202 HydrophobicContact CD2-CZ3 4.13Å; L170-W202 HydrophobicContact CG-CD2 4.4Å; L170-W202 HydrophobicContact CG-CE3 4.24Å; L170-W202 HydrophobicContact CG-CZ3 4.43Å; R172-W202 HydrophobicContact CB-CH2 3.6Å; R172-W202 HydrophobicContact CB-CZ2 4.03Å; R172-W202 HydrophobicContact CG-CH2 3.42Å; R172-W202 VanDerWaalsContact CG-CH2 3.42Å; R172-W202 HydrophobicContact CG-CZ2 4.31Å; R172-W202 HydrophobicContact CG-CZ3 4.09Å; N189-W202 VanDerWaalsContact CA-O 3.26Å; N189-W202 WeakPolarHBondContact CA-O 3.45Å; N189-W202 WeakPolarHBondContact CB-O 3.18Å; L190-W202 HydrophobicContact CD1-CB 3.9Å; L190-W202 VanDerWaalsContact CD1-CD1 3.45Å; L190-W202 HydrophobicContact CD1-CG 3.88Å; L190-W202 HydrophobicContact CG-CB 4.1Å; L190-W202 PolarHBondContact N-O 3.25Å; L190-W202 PolarHBondContact O-N 3.26Å; S192-W202 PolarHBondContact OG-NE1 2.87Å; M200-W202 HydrophobicContact CB-CZ2 4.2Å; M200-W202 HydrophobicContact SD-CH2 4.17Å; M200-W202 HydrophobicContact SD-CZ2 3.45Å; M200-W202 WeakPolarHBondContact SD-CZ2 3.46Å; W202-P209 HydrophobicContact CD2-CB 4.07Å; W202-P209 HydrophobicContact CE3-CB 3.97Å; W202-P209 HydrophobicContact CH2-CB 4.4Å; W202-P209 HydrophobicContact CH2-CG 4.39Å; W202-P209 HydrophobicContact CZ2-CB 4.42Å; W202-P209 HydrophobicContact CZ3-CB 4.15Å; W202-P209 HydrophobicContact CZ3-CG 4.31Å |
| 203 | S | 95.9 | Very high | 96.7 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 8% | 0.077 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.4 | 161.8 | 179.6 | 0 | 0 | 0 | 0 | 107 | N188 N189 Q205 K206 | N188-S203 CarbonylContact O-C 3.48Å; N188-S203 WeakPolarHBondContact O-CA 3.43Å; N189-S203 PolarHBondContact OD1-OG 2.8Å; S203-Q205 PolarHBondContact O-N 2.97Å; S203-K206 PolarHBondContact O-N 2.95Å |
| 204 | L | 94.7 | Very high | 96.7 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -5.5 | -178.7 | -57.6 | -175.2 | 0 | 0 | 0 | 113.4 | V158 R168 L170 F182 N188 L190 | V158-L204 HydrophobicContact CG1-CD1 4.12Å; V158-L204 HydrophobicContact CG2-CD2 3.86Å; R168-L204 HydrophobicContact CG-CD2 4.39Å; R168-L204 VanDerWaalsContact CZ-O 3.23Å; R168-L204 PolarHBondContact NE-O 2.89Å; R168-L204 PolarHBondContact NH2-O 2.97Å; L170-L204 HydrophobicContact CD1-CD2 4.35Å; F182-L204 HydrophobicContact CE1-CD1 4.26Å; N188-L204 WeakPolarHBondContact O-CG 3.08Å; N188-L204 PolarHBondContact O-N 3.08Å; L190-L204 HydrophobicContact CD2-CD2 3.91Å |
| 205 | Q | 93.5 | Very high | 96.5 | Very high | 143 Ų | 143 | 44.4 Ų | 44.4 | 67% | 0.668 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -12.5 | 172.7 | -62.6 | -179.8 | -19.5 | 0 | 0 | 112.9 | S203 | S203-Q205 PolarHBondContact O-N 2.97Š|
| 206 | K | 92.8 | Very high | 96.3 | Very high | 116 Ų | 116 | 44.9 Ų | 44.9 | 50% | 0.504 | 22% | 0.221 | S | C | . | . | trans | -116.3 | 152.1 | -177.2 | -61.7 | -177.3 | -177.7 | 179 | 0 | 110.2 | S203 | S203-K206 PolarHBondContact O-N 2.95Š| ||
| 207 | T | 89.4 | Confident | 96 | Very high | 123 Ų | 123 | 49.6 Ų | 49.6 | 76% | 0.755 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -84.2 | -24.2 | 177.2 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 208 | R | 94.1 | Very high | 95.6 | Very high | 178 Ų | 178 | 47.8 Ų | 47.8 | 67% | 0.672 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -108.4 | 153.5 | 178.5 | -66.7 | -173.1 | -179.5 | -150 | -0 | 110.1 | ||
| 209 | P | 96.9 | Very high | 95 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 14% | 0.143 | 23% | 0.225 | C | C | . | . | trans | -57.7 | 146.1 | 170.9 | 25.7 | -33.9 | 0 | 0 | 0 | 109.4 | R172 M200 L201 W202 W211 T212 | R172-P209 HydrophobicContact CG-CG 4.31Å; M200-P209 HydrophobicContact CB-CB 4.2Å; M200-P209 HydrophobicContact SD-CB 4.37Å; M200-P209 HydrophobicContact SD-CG 4.19Å; L201-P209 CarbonylContact O-C 3.55Å; L201-P209 WeakPolarHBondContact O-CA 3.43Å; W202-P209 HydrophobicContact CD2-CB 4.07Å; W202-P209 HydrophobicContact CE3-CB 3.97Å; W202-P209 HydrophobicContact CH2-CB 4.4Å; W202-P209 HydrophobicContact CH2-CG 4.39Å; W202-P209 HydrophobicContact CZ2-CB 4.42Å; W202-P209 HydrophobicContact CZ3-CB 4.15Å; W202-P209 HydrophobicContact CZ3-CG 4.31Å; P209-W211 VanDerWaalsContact C-N 3.26Å; P209-T212 WeakPolarHBondContact CG-OG1 3.07Å | ||
| 210 | V | 96.9 | Very high | 94.3 | Very high | 40 Ų | 40 | 49.4 Ų | 49.4 | 24% | 0.242 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -62.5 | -40.9 | 174.5 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | L201 S268 | L201-V210 HydrophobicContact CD2-CB 4.29Å; L201-V210 HydrophobicContact CD2-CG1 4.43Å; L201-V210 HydrophobicContact CG-CB 4.35Å; L201-V210 WeakPolarHBondContact O-CB 3.37Å; L201-V210 PolarHBondContact O-N 3.04Å; V210-S268 WeakPolarHBondContact CG1-O 3.28Å |
| 211 | W | 97.7 | Very high | 93.6 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 160.4 | 168.7 | 51 | -103.2 | 0 | 0 | 0 | 109.9 | V199 L201 P209 L213 L250 V264 S268 L270 | V199-W211 HydrophobicContact CG1-CH2 4.38Å; V199-W211 HydrophobicContact CG1-CZ3 4.26Å; V199-W211 WeakPolarHBondContact O-CZ3 3.45Å; L201-W211 HydrophobicContact CB-CD2 3.75Å; L201-W211 HydrophobicContact CB-CE3 4.27Å; L201-W211 HydrophobicContact CB-CG 4.27Å; L201-W211 HydrophobicContact CB-CH2 3.93Å; L201-W211 HydrophobicContact CB-CZ2 3.38Å; L201-W211 HydrophobicContact CB-CZ3 4.35Å; L201-W211 HydrophobicContact CD2-CZ2 4.06Å; L201-W211 HydrophobicContact CG-CZ2 4.24Å; L201-W211 PolarHBondContact N-O 3.41Å; L201-W211 VanDerWaalsContact N-O 3.1Å; P209-W211 VanDerWaalsContact C-N 3.26Å; W211-L213 HydrophobicContact CE3-CB 4.33Å; W211-L213 HydrophobicContact CZ3-CB 4.15Å; W211-L250 HydrophobicContact CH2-CD1 3.71Å; W211-L250 HydrophobicContact CZ2-CD1 3.77Å; W211-V264 HydrophobicContact CZ2-CG2 3.9Å; W211-S268 PolarHBondContact NE1-O 3.2Å; W211-L270 HydrophobicContact CD2-CB 4.19Å; W211-L270 HydrophobicContact CG-CB 4.2Å; W211-L270 HydrophobicContact CZ2-CD1 4.46Å |
| 212 | T | 97.8 | Very high | 92.5 | Very high | 61 Ų | 61 | 55.4 Ų | 55.4 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.8 | 174.2 | -62.1 | 0 | 0 | 0 | 0 | 107 | Q198 V199 M200 P209 | Q198-T212 HydrophobicContact CB-CG2 4.16Å; Q198-T212 HydrophobicContact CG-CG2 4.27Å; V199-T212 WeakPolarHBondContact O-CA 3.21Å; M200-T212 HydrophobicContact CE-CG2 4.04Å; M200-T212 HydrophobicContact CG-CG2 4.03Å; P209-T212 WeakPolarHBondContact CG-OG1 3.07Å |
| 213 | L | 97.8 | Very high | 91.5 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124 | 174.8 | 179.5 | 62.5 | 0 | 0 | 0 | 108.9 | Q198 V199 W211 L215 V218 M262 L270 | Q198-L213 CarbonylContact C-O 3.57Å; Q198-L213 VanDerWaalsContact CA-O 3.3Å; Q198-L213 WeakPolarHBondContact CA-O 3.38Å; V199-L213 PolarHBondContact N-O 3.29Å; V199-L213 PolarHBondContact O-N 2.92Å; W211-L213 HydrophobicContact CE3-CB 4.33Å; W211-L213 HydrophobicContact CZ3-CB 4.15Å; L213-L215 HydrophobicContact CD2-CD2 4.13Å; L213-L215 HydrophobicContact CG-CD2 4.33Å; L213-V218 HydrophobicContact CD1-CG2 3.62Å; L213-V218 HydrophobicContact CG-CG2 4.2Å; L213-M262 HydrophobicContact CD2-CG 3.74Å; L213-M262 HydrophobicContact CD2-SD 4.16Å; L213-L270 HydrophobicContact CB-CD2 4.47Å; L213-L270 HydrophobicContact CD1-CD2 4.21Å; L213-L270 HydrophobicContact CD2-CD2 4.35Å |
| 214 | N | 97.3 | Very high | 90.5 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 17% | 0.171 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 112 | 174.4 | -177 | -16.8 | 0 | 0 | 0 | 109.3 | Q216 E217 V218 | N214-Q216 VanDerWaalsContact C-N 3.26Å; N214-Q216 PolarHBondContact O-N 2.77Å; N214-Q216 WeakPolarHBondContact OD1-CB 3.38Å; N214-Q216 PolarHBondContact OD1-N 3.44Å; N214-E217 HydrophobicContact CB-CB 4.21Å; N214-E217 HydrophobicContact CB-CG 4.02Å; N214-E217 PolarHBondContact ND2-OE1 2.91Å; N214-E217 PolarHBondContact O-N 3.26Å; N214-V218 WeakPolarHBondContact O-CG2 3.05Å; N214-V218 PolarHBondContact O-N 3.08Å |
| 215 | L | 95.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66 | -29.8 | -175.3 | -58.9 | -176.9 | 0 | 0 | 0 | 112.5 | M197 V199 L213 V218 A219 P236 A238 A254 H260 | M197-L215 WeakPolarHBondContact O-CB 3.36Å; M197-L215 WeakPolarHBondContact O-CG 3.36Å; M197-L215 PolarHBondContact O-N 2.88Å; V199-L215 HydrophobicContact CG2-CD1 4.18Å; V199-L215 HydrophobicContact CG2-CD2 4.11Å; V199-L215 HydrophobicContact CG2-CG 4.27Å; L213-L215 HydrophobicContact CD2-CD2 4.13Å; L213-L215 HydrophobicContact CG-CD2 4.33Å; L215-V218 PolarHBondContact O-N 2.83Å; L215-A219 PolarHBondContact O-N 2.81Å; L215-P236 HydrophobicContact CB-CB 3.86Å; L215-P236 HydrophobicContact CB-CG 3.74Å; L215-A238 HydrophobicContact CD1-CB 3.99Å; L215-A254 HydrophobicContact CD1-CB 4.27Å; L215-H260 HydrophobicContact CD2-CB 4.01Å |
| 216 | Q | 93.6 | Very high | 87.8 | Confident | 47 Ų | 47 | 67.8 Ų | 67.8 | 22% | 0.22 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 175.9 | -178.2 | 62.5 | 39.5 | 0 | 0 | 111.1 | M197 N214 V218 A219 E220 P236 | M197-Q216 HydrophobicContact CE-CB 4.3Å; M197-Q216 HydrophobicContact SD-CB 3.84Å; M197-Q216 HydrophobicContact SD-CG 4.35Å; N214-Q216 VanDerWaalsContact C-N 3.26Å; N214-Q216 PolarHBondContact O-N 2.77Å; N214-Q216 WeakPolarHBondContact OD1-CB 3.38Å; N214-Q216 PolarHBondContact OD1-N 3.44Å; Q216-V218 VanDerWaalsContact C-N 3.3Å; Q216-V218 PolarHBondContact O-N 3.45Å; Q216-A219 PolarHBondContact O-N 3.2Å; Q216-E220 WeakPolarHBondContact CG-OE1 3.39Å; Q216-E220 PolarHBondContact NE2-OE1 2.87Å; Q216-E220 WeakPolarHBondContact O-CG 3.18Å; Q216-E220 PolarHBondContact O-N 3.22Å; Q216-P236 HydrophobicContact CB-CG 4.22Å |
| 217 | E | 91.6 | Very high | 86.4 | Confident | 111 Ų | 111 | 70.8 Ų | 70.8 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 177.1 | -70.1 | 169.8 | -151.4 | 0 | 0 | 111.3 | N214 E221 | N214-E217 HydrophobicContact CB-CB 4.21Å; N214-E217 HydrophobicContact CB-CG 4.02Å; N214-E217 PolarHBondContact ND2-OE1 2.91Å; N214-E217 PolarHBondContact O-N 3.26Å; E217-E221 WeakPolarHBondContact O-CG 3.32Å; E217-E221 PolarHBondContact O-N 3.01Å |
| 218 | V | 89.3 | Confident | 84.9 | Confident | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 175.4 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | L213 N214 L215 Q216 E220 E221 E222 | L213-V218 HydrophobicContact CD1-CG2 3.62Å; L213-V218 HydrophobicContact CG-CG2 4.2Å; N214-V218 WeakPolarHBondContact O-CG2 3.05Å; N214-V218 PolarHBondContact O-N 3.08Å; L215-V218 PolarHBondContact O-N 2.83Å; Q216-V218 VanDerWaalsContact C-N 3.3Å; Q216-V218 PolarHBondContact O-N 3.45Å; V218-E220 VanDerWaalsContact C-N 3.34Å; V218-E220 PolarHBondContact O-N 3.03Å; V218-E221 PolarHBondContact O-N 3.45Å; V218-E222 WeakPolarHBondContact O-CG 3.09Å; V218-E222 PolarHBondContact O-N 3.24Å; V218-E222 VanDerWaalsContact O-N 3.13Å |
| 219 | A | 85.8 | Confident | 82.7 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 3% | 0.033 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L215 Q216 E221 E222 E223 | L215-A219 PolarHBondContact O-N 2.81Å; Q216-A219 PolarHBondContact O-N 3.2Å; A219-E221 PolarHBondContact O-N 3.04Å; A219-E222 PolarHBondContact O-N 2.83Å; A219-E223 WeakPolarHBondContact O-CG 3.44Å; A219-E223 PolarHBondContact O-N 2.95Å |
| 220 | E | 85.1 | Confident | 80.5 | Confident | 75 Ų | 75 | 71 Ų | 71 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 178.3 | -71.3 | 176.1 | -168.8 | 0 | 0 | 113.3 | Q216 V218 R224 | Q216-E220 WeakPolarHBondContact CG-OE1 3.39Å; Q216-E220 PolarHBondContact NE2-OE1 2.87Å; Q216-E220 WeakPolarHBondContact O-CG 3.18Å; Q216-E220 PolarHBondContact O-N 3.22Å; V218-E220 VanDerWaalsContact C-N 3.34Å; V218-E220 PolarHBondContact O-N 3.03Å; E220-R224 WeakPolarHBondContact O-CG 3.4Å; E220-R224 PolarHBondContact O-N 3.29Å; E220-R224 IonicContact OE2-NH1 2.63Å |
| 221 | E | 82.8 | Confident | 78.4 | Confident | 93 Ų | 93 | 77 Ų | 77 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 173.5 | -78.7 | -179 | 173.4 | 0 | 0 | 111.2 | E217 V218 A219 E223 R224 H225 | E217-E221 WeakPolarHBondContact O-CG 3.32Å; E217-E221 PolarHBondContact O-N 3.01Å; V218-E221 PolarHBondContact O-N 3.45Å; A219-E221 PolarHBondContact O-N 3.04Å; E221-E223 PolarHBondContact O-N 3.28Å; E221-R224 PolarHBondContact O-N 2.8Å; E221-H225 PolarHBondContact O-CD2 2.86Å; E221-H225 PolarHBondContact O-N 2.82Å; E221-H225 VanDerWaalsContact O-N 3.13Å |
| 222 | E | 76.5 | Confident | 76.1 | Confident | 34 Ų | 34 | 84.4 Ų | 84.4 | 16% | 0.159 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 178.5 | -70 | -178.6 | 176 | 0 | 0 | 112.7 | V218 A219 H225 Q226 R258 | V218-E222 WeakPolarHBondContact O-CG 3.09Å; V218-E222 PolarHBondContact O-N 3.24Å; V218-E222 VanDerWaalsContact O-N 3.13Å; A219-E222 PolarHBondContact O-N 2.83Å; E222-H225 PolarHBondContact O-N 2.84Å; E222-Q226 VanDerWaalsContact O-CG 3.32Å; E222-Q226 WeakPolarHBondContact O-CG 3.49Å; E222-Q226 PolarHBondContact O-N 3.13Å; E222-R258 IonicContact OE2-CZ 3.27Å; E222-R258 IonicContact OE2-NH1 3.02Å; E222-R258 PolarHBondContact OE2-NH1 2.87Å |
| 223 | E | 75.9 | Confident | 74.5 | Confident | 47 Ų | 47 | 85.8 Ų | 85.8 | 22% | 0.22 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 177.4 | -76.6 | 175.6 | -157.8 | 0 | 0 | 113.1 | A219 E221 H225 Q226 H227 F233 | A219-E223 WeakPolarHBondContact O-CG 3.44Å; A219-E223 PolarHBondContact O-N 2.95Å; E221-E223 PolarHBondContact O-N 3.28Å; E223-H225 PolarHBondContact O-N 3.17Å; E223-Q226 CarbonylContact O-C 3.54Å; E223-Q226 PolarHBondContact O-N 3.1Å; E223-H227 PolarHBondContact O-N 3.35Å; E223-H227 VanDerWaalsContact O-N 3.16Å; E223-F233 WeakPolarHBondContact OE1-CD2 3.35Å; E223-F233 WeakPolarHBondContact OE1-CE2 3.23Å; E223-F233 WeakPolarHBondContact OE1-CZ 3.37Å |
| 224 | R | 74.8 | Confident | 73.8 | Confident | 147 Ų | 147 | 88.7 Ų | 88.7 | 56% | 0.555 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58 | -38.9 | 173.9 | -77.1 | -171.6 | -65.2 | -98.4 | 6.5 | 111.1 | E220 E221 Q226 | E220-R224 WeakPolarHBondContact O-CG 3.4Å; E220-R224 PolarHBondContact O-N 3.29Å; E220-R224 IonicContact OE2-NH1 2.63Å; E221-R224 PolarHBondContact O-N 2.8Å; R224-Q226 VanDerWaalsContact C-N 3.35Å |
| 225 | H | 68.4 | Low | 73.4 | Confident | 155 Ų | 155 | 89.5 Ų | 89.5 | 72% | 0.718 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.9 | -30 | 175.3 | -72.4 | -55.5 | 0 | 0 | 0 | 113.3 | E221 E222 E223 | E221-H225 PolarHBondContact O-CD2 2.86Å; E221-H225 PolarHBondContact O-N 2.82Å; E221-H225 VanDerWaalsContact O-N 3.13Å; E222-H225 PolarHBondContact O-N 2.84Å; E223-H225 PolarHBondContact O-N 3.17Å |
| 226 | Q | 64.9 | Low | 73.4 | Confident | 87 Ų | 87 | 89.6 Ų | 89.6 | 41% | 0.407 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -87.6 | 0.7 | -179.4 | -70 | 179.3 | 30.2 | 0 | 0 | 114.6 | E222 E223 R224 K228 | E222-Q226 VanDerWaalsContact O-CG 3.32Å; E222-Q226 WeakPolarHBondContact O-CG 3.49Å; E222-Q226 PolarHBondContact O-N 3.13Å; E223-Q226 CarbonylContact O-C 3.54Å; E223-Q226 PolarHBondContact O-N 3.1Å; R224-Q226 VanDerWaalsContact C-N 3.35Å; Q226-K228 PolarHBondContact O-N 2.74Å |
| 227 | H | 61.8 | Low | 73.6 | Confident | 178 Ų | 178 | 89.5 Ų | 89.5 | 82% | 0.824 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 30.2 | -178.6 | -69.3 | -71.4 | 0 | 0 | 0 | 114.1 | E223 | E223-H227 PolarHBondContact O-N 3.35Å; E223-H227 VanDerWaalsContact O-N 3.16Å |
| 228 | K | 58.6 | Low | 73.9 | Confident | 149 Ų | 149 | 84.2 Ų | 84.2 | 65% | 0.648 | 44% | 0.435 | S | S | * | . | trans | -95.9 | 104.2 | 175.6 | -74.8 | 179.4 | -179.2 | 170.3 | 0 | 108.8 | Q226 | Q226-K228 PolarHBondContact O-N 2.74Š| ||
| 229 | A | 46.9 | Very low | 74.4 | Confident | 105 Ų | 105 | 86.5 Ų | 86.5 | 87% | 0.868 | 45% | 0.446 | S | S | * | . | trans | -92 | 123.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 230 | G | 51.9 | Low | 75 | Confident | 75 Ų | 75 | 86.6 Ų | 86.6 | 77% | 0.773 | 45% | 0.446 | S | S | * | . | trans | 96.9 | 86.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 231 | Q | 52.1 | Low | 75.6 | Confident | 164 Ų | 164 | 83.3 Ų | 83.3 | 77% | 0.766 | 43% | 0.431 | S | S | * | . | trans | -152.2 | 132.8 | 142.7 | -111.1 | 166.8 | -3.1 | 0 | 0 | 107.6 | F233 | Q231-F233 WeakPolarHBondContact O-CD2 3.45Å; Q231-F233 PolarHBondContact O-N 2.78Å | ||
| 232 | L | 49.8 | Very low | 76.3 | Confident | 186 Ų | 186 | 79.6 Ų | 79.6 | 97% | 0.974 | 42% | 0.415 | S | S | * | . | trans | -61.1 | 99.7 | 171.3 | -86.4 | 122.7 | 0 | 0 | 0 | 107.4 | ||||
| 233 | F | 64.6 | Low | 77.3 | Confident | 90 Ų | 90 | 78.7 Ų | 78.7 | 40% | 0.395 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 135.5 | 178.5 | -99.2 | -91.7 | 0 | 0 | 0 | 109.6 | E223 Q231 | E223-F233 WeakPolarHBondContact OE1-CD2 3.35Å; E223-F233 WeakPolarHBondContact OE1-CE2 3.23Å; E223-F233 WeakPolarHBondContact OE1-CZ 3.37Å; Q231-F233 WeakPolarHBondContact O-CD2 3.45Å; Q231-F233 PolarHBondContact O-N 2.78Å |
| 234 | N | 81.5 | Confident | 78.3 | Confident | 76 Ų | 76 | 76.5 Ų | 76.5 | 41% | 0.406 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 122.1 | 159.8 | -155 | 15.6 | 0 | 0 | 0 | 106.4 | E255 D256 | N234-E255 WeakPolarHBondContact ND2-CG 3.35Å; N234-E255 PolarHBondContact ND2-O 3.39Å; N234-E255 PolarHBondContact ND2-OE1 2.97Å; N234-D256 WeakPolarHBondContact O-CB 3.45Å |
| 235 | P | 90.9 | Very high | 79.2 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 32% | 0.318 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 144.9 | -178.6 | 22.7 | -32.3 | 0 | 0 | 0 | 109.9 | M197 L237 E255 | M197-P235 HydrophobicContact SD-CB 3.87Å; P235-L237 HydrophobicContact CB-CD2 4.25Å; P235-L237 HydrophobicContact CB-CG 4.39Å; P235-L237 HydrophobicContact CG-CD2 4.22Å; P235-L237 HydrophobicContact CG-CG 4.12Å; P235-L237 PolarHBondContact O-N 2.84Å; P235-E255 WeakPolarHBondContact O-CB 3.49Å |
| 236 | P | 94.9 | Very high | 80.3 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.013 | 37% | 0.37 | C | S | . | . | trans | -78.3 | 61.8 | 179.9 | 33.9 | -34.8 | 0 | 0 | 0 | 110.3 | M197 L215 Q216 A238 A254 D256 | M197-P236 HydrophobicContact CB-CG 4.5Å; M197-P236 HydrophobicContact CG-CG 4.46Å; M197-P236 HydrophobicContact SD-CG 4.45Å; L215-P236 HydrophobicContact CB-CB 3.86Å; L215-P236 HydrophobicContact CB-CG 3.74Å; Q216-P236 HydrophobicContact CB-CG 4.22Å; P236-A238 PolarHBondContact O-N 3.17Å; P236-A254 HydrophobicContact CB-CB 4.11Å; P236-D256 HydrophobicContact CB-CB 4.17Å | ||
| 237 | L | 97.7 | Very high | 81.7 | Confident | 46 Ų | 46 | 62.6 Ų | 62.6 | 24% | 0.241 | 35% | 0.351 | C | S | . | . | trans | -59.7 | 124.6 | 171.6 | -51.8 | 178.4 | 0 | 0 | 0 | 107.6 | L195 M197 P235 A254 E255 | L195-L237 HydrophobicContact CD2-CB 3.9Å; L195-L237 WeakPolarHBondContact O-CD2 3.43Å; M197-L237 HydrophobicContact CG-CD2 3.88Å; P235-L237 HydrophobicContact CB-CD2 4.25Å; P235-L237 HydrophobicContact CB-CG 4.39Å; P235-L237 HydrophobicContact CG-CD2 4.22Å; P235-L237 HydrophobicContact CG-CG 4.12Å; P235-L237 PolarHBondContact O-N 2.84Å; L237-A254 CarbonylContact O-C 3.55Å; L237-A254 WeakPolarHBondContact O-CA 3.44Å; L237-E255 HydrophobicContact CB-CB 3.8Å; L237-E255 HydrophobicContact CD1-CB 4.48Å; L237-E255 HydrophobicContact CD1-CG 4.31Å; L237-E255 HydrophobicContact CG-CB 4.21Å; L237-E255 HydrophobicContact CG-CG 4.48Å; L237-E255 PolarHBondContact O-N 2.81Å | ||
| 238 | A | 98.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 128.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S178 A193 G194 L215 P236 C252 | S178-A238 WeakPolarHBondContact CB-O 3.48Å; S178-A238 PolarHBondContact OG-O 2.66Å; A193-A238 HydrophobicContact CB-CB 3.72Å; G194-A238 CarbonylContact C-O 3.36Å; G194-A238 WeakPolarHBondContact O-CB 3.33Å; G194-A238 PolarHBondContact O-N 2.79Å; L215-A238 HydrophobicContact CD1-CB 3.99Å; P236-A238 PolarHBondContact O-N 3.17Å; A238-C252 VanDerWaalsContact CB-SG 3.59Å |
| 239 | H | 98.4 | Very high | 85 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 26% | 0.255 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -40.5 | -173.8 | -74 | -55.8 | 0 | 0 | 0 | 113.8 | S178 S179 A253 E255 | S178-H239 WeakPolarHBondContact CB-O 3.21Å; S178-H239 PolarHBondContact OG-O 3.22Å; S179-H239 WeakPolarHBondContact CB-O 3.43Å; H239-A253 PolarHBondContact N-O 3.26Å; H239-E255 IonicContact CD2-OE2 3.28Å; H239-E255 IonicContact CE1-OE2 3.43Å; H239-E255 IonicContact NE2-OE2 2.79Å; H239-E255 PolarHBondContact NE2-OE2 3.08Å |
| 240 | C | 98.6 | Very high | 87.4 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.034 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 129.7 | -173.9 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | C252 A253 S284 Q285 | C240-C252 CarbonylContact O-C 3.55Å; C240-C252 WeakPolarHBondContact O-CA 3.41Å; C240-A253 HydrophobicContact CB-CB 4.09Å; C240-A253 PolarHBondContact O-N 3.08Å; C240-S284 WeakPolarHBondContact CB-O 3.27Å; C240-Q285 PolarHBondContact SG-OE1 2.58Å |
| 241 | V | 98.6 | Very high | 89.6 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 139 | 168.8 | -76 | 0 | 0 | 0 | 0 | 112 | S179 A181 V191 A193 V199 A251 C252 | S179-V241 WeakPolarHBondContact OG-CG2 3.46Å; S179-V241 PolarHBondContact OG-N 3.01Å; A181-V241 HydrophobicContact CB-CG2 4.41Å; V191-V241 HydrophobicContact CG1-CB 4.4Å; V191-V241 HydrophobicContact CG1-CG1 4.26Å; V191-V241 HydrophobicContact CG1-CG2 4.47Å; A193-V241 HydrophobicContact CB-CB 4.34Å; A193-V241 HydrophobicContact CB-CG1 3.31Å; A193-V241 HydrophobicContact CB-CG2 4.19Å; V199-V241 HydrophobicContact CG1-CG1 4.29Å; V241-A251 VanDerWaalsContact CA-O 3.32Å; V241-A251 WeakPolarHBondContact CA-O 3.48Å; V241-C252 HydrophobicContact CG1-CB 3.98Å |
| 242 | S | 98.1 | Very high | 91.8 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 11% | 0.105 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149.5 | 172.9 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | L250 A251 A286 F288 | S242-L250 WeakPolarHBondContact O-CA 3.41Å; S242-A251 PolarHBondContact N-O 3.13Å; S242-A251 PolarHBondContact O-N 2.86Å; S242-A286 WeakPolarHBondContact CB-O 3.46Å; S242-F288 PolarHBondContact OG-N 2.85Å |
| 243 | V | 97.4 | Very high | 94.1 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 10% | 0.097 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.9 | -179.7 | -172.2 | 0 | 0 | 0 | 0 | 109 | A181 R183 P184 V191 L250 | A181-V243 HydrophobicContact CB-CG2 4.03Å; R183-V243 HydrophobicContact CG-CG1 4.31Å; P184-V243 HydrophobicContact CG-CB 4.49Å; P184-V243 HydrophobicContact CG-CG1 4.26Å; V191-V243 HydrophobicContact CG2-CG2 4.38Å; V243-L250 HydrophobicContact CB-CD2 3.98Å; V243-L250 HydrophobicContact CG1-CD2 3.57Å; V243-L250 HydrophobicContact CG2-CD2 3.55Å |
| 244 | A | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -59.2 | 150.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | C246 G247 V249 F288 P295 | A244-C246 PolarHBondContact O-N 3.42Å; A244-G247 WeakPolarHBondContact O-CA 3.37Å; A244-G247 PolarHBondContact O-N 3.37Å; A244-V249 HydrophobicContact CB-CB 4.05Å; A244-V249 WeakPolarHBondContact CB-O 3.31Å; A244-V249 PolarHBondContact N-O 3.19Å; A244-F288 HydrophobicContact CB-CD1 4.01Å; A244-F288 HydrophobicContact CB-CD2 3.96Å; A244-F288 HydrophobicContact CB-CE1 4.2Å; A244-F288 HydrophobicContact CB-CE2 4.12Å; A244-F288 HydrophobicContact CB-CG 3.9Å; A244-F288 HydrophobicContact CB-CZ 4.26Å; A244-P295 WeakPolarHBondContact CB-O 3.49Å | ||
| 245 | T | 93.6 | Very high | 96.4 | Very high | 65 Ų | 65 | 18.5 Ų | 18.5 | 40% | 0.399 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.6 | -178.2 | 50.5 | 0 | 0 | 0 | 0 | 114.6 | G247 P295 | T245-G247 PolarHBondContact O-N 2.78Å; T245-P295 WeakPolarHBondContact OG1-CB 3.42Å |
| 246 | C | 92.2 | Very high | 96.6 | Very high | 32 Ų | 32 | 16.5 Ų | 16.5 | 22% | 0.216 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -9.3 | 171.3 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | A244 N248 P295 | A244-C246 PolarHBondContact O-N 3.42Å; C246-N248 PolarHBondContact O-N 3.23Å; C246-N248 VanDerWaalsContact O-N 3.16Å; C246-P295 HydrophobicContact CB-CG 4.32Å |
| 247 | G | 93.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 72.7 | -2.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | R183 A244 T245 | R183-G247 WeakPolarHBondContact CD-O 3.39Å; R183-G247 WeakPolarHBondContact CG-O 3.3Å; R183-G247 PolarHBondContact NE-O 3.03Å; R183-G247 PolarHBondContact NH2-O 3.08Å; A244-G247 WeakPolarHBondContact O-CA 3.37Å; A244-G247 PolarHBondContact O-N 3.37Å; T245-G247 PolarHBondContact O-N 2.78Å |
| 248 | N | 93.2 | Very high | 96.5 | Very high | 58 Ų | 58 | 15.7 Ų | 15.7 | 31% | 0.31 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -115.4 | -3.6 | -170.3 | -64.7 | -24.1 | 0 | 0 | 0 | 114.1 | R183 C246 R263 V264 | R183-N248 PolarHBondContact NH2-OD1 2.83Å; C246-N248 PolarHBondContact O-N 3.23Å; C246-N248 VanDerWaalsContact O-N 3.16Å; N248-R263 CarbonylContact O-C 3.59Å; N248-R263 VanDerWaalsContact O-CA 3.27Å; N248-R263 WeakPolarHBondContact O-CA 3.33Å; N248-V264 PolarHBondContact O-N 3.17Å |
| 249 | V | 95.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 130.7 | 176.6 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | A244 M262 F288 Y296 P316 | A244-V249 HydrophobicContact CB-CB 4.05Å; A244-V249 WeakPolarHBondContact CB-O 3.31Å; A244-V249 PolarHBondContact N-O 3.19Å; V249-M262 CarbonylContact C-O 3.28Å; V249-M262 WeakPolarHBondContact CA-O 3.33Å; V249-F288 HydrophobicContact CG1-CE1 4.38Å; V249-F288 HydrophobicContact CG1-CZ 3.83Å; V249-Y296 HydrophobicContact CB-CD1 4.37Å; V249-Y296 HydrophobicContact CB-CE1 4.1Å; V249-Y296 HydrophobicContact CG2-CD1 4.16Å; V249-Y296 HydrophobicContact CG2-CE1 3.54Å; V249-P316 HydrophobicContact CG2-CB 4.24Å |
| 250 | L | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 145.6 | -177.6 | -44.9 | 176 | 0 | 0 | 0 | 108.3 | V191 W211 S242 V243 L261 M262 V264 | V191-L250 HydrophobicContact CG1-CD1 4.43Å; V191-L250 HydrophobicContact CG2-CD1 3.87Å; V191-L250 HydrophobicContact CG2-CD2 3.96Å; W211-L250 HydrophobicContact CH2-CD1 3.71Å; W211-L250 HydrophobicContact CZ2-CD1 3.77Å; S242-L250 WeakPolarHBondContact O-CA 3.41Å; V243-L250 HydrophobicContact CB-CD2 3.98Å; V243-L250 HydrophobicContact CG1-CD2 3.57Å; V243-L250 HydrophobicContact CG2-CD2 3.55Å; L250-L261 WeakPolarHBondContact O-CA 3.22Å; L250-M262 HydrophobicContact CB-CB 4.19Å; L250-M262 HydrophobicContact CB-CE 4.08Å; L250-M262 HydrophobicContact CD1-CB 4.26Å; L250-M262 HydrophobicContact CD1-CE 4.48Å; L250-M262 HydrophobicContact CG-CB 4.48Å; L250-M262 PolarHBondContact N-O 3.07Å; L250-M262 PolarHBondContact O-N 3.15Å; L250-V264 HydrophobicContact CD1-CG2 3.7Å; L250-V264 HydrophobicContact CG-CG2 4.11Å |
| 251 | A | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 142.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | V241 S242 V259 H260 L261 A286 F288 L298 | V241-A251 VanDerWaalsContact CA-O 3.32Å; V241-A251 WeakPolarHBondContact CA-O 3.48Å; S242-A251 PolarHBondContact N-O 3.13Å; S242-A251 PolarHBondContact O-N 2.86Å; A251-V259 HydrophobicContact CB-CG1 3.89Å; A251-H260 CarbonylContact C-O 3.54Å; A251-H260 WeakPolarHBondContact CA-O 3.41Å; A251-L261 HydrophobicContact CB-CD2 3.94Å; A251-A286 HydrophobicContact CB-CB 4.27Å; A251-F288 HydrophobicContact CB-CD2 4.45Å; A251-F288 HydrophobicContact CB-CE2 3.56Å; A251-F288 HydrophobicContact CB-CZ 3.77Å; A251-L298 HydrophobicContact CB-CD1 3.77Å; A251-L298 HydrophobicContact CB-CD2 4.34Å |
| 252 | C | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 112.3 | 174.7 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | V199 A238 C240 V241 V259 H260 M262 | V199-C252 HydrophobicContact CG2-CB 4.01Å; V199-C252 VanDerWaalsContact CG2-SG 3.58Å; A238-C252 VanDerWaalsContact CB-SG 3.59Å; C240-C252 CarbonylContact O-C 3.55Å; C240-C252 WeakPolarHBondContact O-CA 3.41Å; V241-C252 HydrophobicContact CG1-CB 3.98Å; C252-V259 CarbonylContact O-C 3.59Å; C252-V259 VanDerWaalsContact O-CA 3.31Å; C252-V259 WeakPolarHBondContact O-CA 3.18Å; C252-H260 HydrophobicContact CB-CB 4.34Å; C252-H260 PolarHBondContact N-O 2.96Å; C252-H260 PolarHBondContact O-N 2.98Å; C252-M262 HydrophobicContact CB-CE 4.07Å |
| 253 | A | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 135.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | H239 C240 V259 A283 A286 | H239-A253 PolarHBondContact N-O 3.26Å; C240-A253 HydrophobicContact CB-CB 4.09Å; C240-A253 PolarHBondContact O-N 3.08Å; A253-V259 HydrophobicContact CB-CG2 4.41Å; A253-A283 CarbonylContact C-O 3.48Å; A253-A283 HydrophobicContact CB-CB 3.99Å; A253-A283 WeakPolarHBondContact CB-O 3.5Å; A253-A286 HydrophobicContact CB-CB 3.85Å |
| 254 | A | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 155.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L215 P236 L237 D256 G257 R258 A283 | L215-A254 HydrophobicContact CD1-CB 4.27Å; P236-A254 HydrophobicContact CB-CB 4.11Å; L237-A254 CarbonylContact O-C 3.55Å; L237-A254 WeakPolarHBondContact O-CA 3.44Å; A254-D256 WeakPolarHBondContact CB-OD1 3.38Å; A254-D256 PolarHBondContact O-N 3.41Å; A254-D256 VanDerWaalsContact O-N 3.15Å; A254-G257 PolarHBondContact O-N 2.98Å; A254-R258 PolarHBondContact N-O 2.79Å; A254-A283 PolarHBondContact N-O 2.89Å; A254-A283 PolarHBondContact O-N 3.25Å |
| 255 | E | 96.9 | Very high | 95.6 | Very high | 36 Ų | 36 | 15.2 Ų | 15.2 | 17% | 0.168 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.3 | -176.4 | -173.7 | 51.1 | -137.4 | 0 | 0 | 113.6 | N234 P235 L237 H239 G257 G282 | N234-E255 WeakPolarHBondContact ND2-CG 3.35Å; N234-E255 PolarHBondContact ND2-O 3.39Å; N234-E255 PolarHBondContact ND2-OE1 2.97Å; P235-E255 WeakPolarHBondContact O-CB 3.49Å; L237-E255 HydrophobicContact CB-CB 3.8Å; L237-E255 HydrophobicContact CD1-CB 4.48Å; L237-E255 HydrophobicContact CD1-CG 4.31Å; L237-E255 HydrophobicContact CG-CB 4.21Å; L237-E255 HydrophobicContact CG-CG 4.48Å; L237-E255 PolarHBondContact O-N 2.81Å; H239-E255 IonicContact CD2-OE2 3.28Å; H239-E255 IonicContact CE1-OE2 3.43Å; H239-E255 IonicContact NE2-OE2 2.79Å; H239-E255 PolarHBondContact NE2-OE2 3.08Å; E255-G257 PolarHBondContact O-N 3.41Å; E255-G282 WeakPolarHBondContact O-CA 3.47Å |
| 256 | D | 93.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 17.1 Ų | 17.1 | 4% | 0.037 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 1.2 | 171.4 | 77.7 | -21.3 | 0 | 0 | 0 | 113.7 | N234 P236 A254 R258 H260 K277 | N234-D256 WeakPolarHBondContact O-CB 3.45Å; P236-D256 HydrophobicContact CB-CB 4.17Å; A254-D256 WeakPolarHBondContact CB-OD1 3.38Å; A254-D256 PolarHBondContact O-N 3.41Å; A254-D256 VanDerWaalsContact O-N 3.15Å; D256-R258 VanDerWaalsContact C-N 3.3Å; D256-R258 VanDerWaalsContact OD1-CB 3.29Å; D256-R258 WeakPolarHBondContact OD1-CB 3.39Å; D256-R258 PolarHBondContact OD1-N 2.88Å; D256-R258 WeakPolarHBondContact OD2-CD 3.47Å; D256-R258 VanDerWaalsContact OD2-CG 3.29Å; D256-R258 WeakPolarHBondContact OD2-CG 3.45Å; D256-R258 IonicContact OD2-NE 3.84Å; D256-R258 PolarHBondContact OD2-NE 2.88Å; D256-H260 IonicContact OD2-NE2 2.97Å; D256-K277 PolarHBondContact O-NZ 3.27Å |
| 257 | G | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 79.4 | 10.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A254 E255 A278 H279 Q281 | A254-G257 PolarHBondContact O-N 2.98Å; E255-G257 PolarHBondContact O-N 3.41Å; G257-A278 PolarHBondContact O-N 2.95Å; G257-H279 PolarHBondContact O-N 2.8Å; G257-Q281 WeakPolarHBondContact CA-O 3.44Å |
| 258 | R | 95.8 | Very high | 94.7 | Very high | 31 Ų | 31 | 19.1 Ų | 19.1 | 12% | 0.117 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 157.5 | 175.4 | -57.4 | -175.2 | -169 | -163.4 | 4.9 | 111 | E222 A254 D256 A275 I276 K277 | E222-R258 IonicContact OE2-CZ 3.27Å; E222-R258 IonicContact OE2-NH1 3.02Å; E222-R258 PolarHBondContact OE2-NH1 2.87Å; A254-R258 PolarHBondContact N-O 2.79Å; D256-R258 VanDerWaalsContact C-N 3.3Å; D256-R258 VanDerWaalsContact OD1-CB 3.29Å; D256-R258 WeakPolarHBondContact OD1-CB 3.39Å; D256-R258 PolarHBondContact OD1-N 2.88Å; D256-R258 WeakPolarHBondContact OD2-CD 3.47Å; D256-R258 VanDerWaalsContact OD2-CG 3.29Å; D256-R258 WeakPolarHBondContact OD2-CG 3.45Å; D256-R258 IonicContact OD2-NE 3.84Å; D256-R258 PolarHBondContact OD2-NE 2.88Å; R258-A275 HydrophobicContact CB-CB 4.45Å; R258-I276 CarbonylContact C-O 3.49Å; R258-I276 WeakPolarHBondContact CA-O 3.5Å; R258-I276 WeakPolarHBondContact CB-O 3.21Å; R258-K277 HydrophobicContact CG-CD 4.03Å |
| 259 | V | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 115 | 160.9 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | A251 C252 A253 L261 A275 I276 A278 A283 A286 L298 T300 | A251-V259 HydrophobicContact CB-CG1 3.89Å; C252-V259 CarbonylContact O-C 3.59Å; C252-V259 VanDerWaalsContact O-CA 3.31Å; C252-V259 WeakPolarHBondContact O-CA 3.18Å; A253-V259 HydrophobicContact CB-CG2 4.41Å; V259-L261 HydrophobicContact CG1-CD2 4.38Å; V259-A275 WeakPolarHBondContact O-CA 3.42Å; V259-I276 HydrophobicContact CB-CD1 4.31Å; V259-I276 HydrophobicContact CB-CG1 3.9Å; V259-I276 PolarHBondContact N-O 2.76Å; V259-I276 PolarHBondContact O-N 2.91Å; V259-A278 HydrophobicContact CG2-CB 3.97Å; V259-A283 HydrophobicContact CG2-CB 4.28Å; V259-A286 HydrophobicContact CG1-CB 3.94Å; V259-A286 HydrophobicContact CG2-CB 4.18Å; V259-L298 HydrophobicContact CG1-CD2 4.06Å; V259-T300 HydrophobicContact CG2-CG2 3.76Å |
| 260 | H | 96.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 130.6 | 176.1 | -64.6 | -97.6 | 0 | 0 | 0 | 109.5 | L215 A251 C252 D256 M262 G274 | L215-H260 HydrophobicContact CD2-CB 4.01Å; A251-H260 CarbonylContact C-O 3.54Å; A251-H260 WeakPolarHBondContact CA-O 3.41Å; C252-H260 HydrophobicContact CB-CB 4.34Å; C252-H260 PolarHBondContact N-O 2.96Å; C252-H260 PolarHBondContact O-N 2.98Å; D256-H260 IonicContact OD2-NE2 2.97Å; H260-M262 HydrophobicContact CB-SD 4.01Å; H260-G274 CarbonylContact C-O 3.55Å; H260-G274 WeakPolarHBondContact CA-O 3.45Å |
| 261 | L | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.4 | -178.6 | -63.5 | 173.2 | 0 | 0 | 0 | 109.3 | L250 A251 V259 Q273 G274 I276 L298 L312 V318 | L250-L261 WeakPolarHBondContact O-CA 3.22Å; A251-L261 HydrophobicContact CB-CD2 3.94Å; V259-L261 HydrophobicContact CG1-CD2 4.38Å; L261-Q273 CarbonylContact O-C 3.46Å; L261-Q273 VanDerWaalsContact O-CA 3.23Å; L261-Q273 WeakPolarHBondContact O-CA 3.44Å; L261-G274 PolarHBondContact N-O 2.86Å; L261-G274 PolarHBondContact O-N 2.8Å; L261-I276 HydrophobicContact CD1-CG2 4.33Å; L261-L298 HydrophobicContact CD2-CD2 4.39Å; L261-L312 HydrophobicContact CD1-CD1 3.85Å; L261-L312 HydrophobicContact CD2-CD1 4.07Å; L261-V318 HydrophobicContact CD1-CG2 4.25Å |
| 262 | M | 96.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.9 | -179.7 | -62.5 | 80.1 | 76.9 | 0 | 0 | 110.4 | V199 L213 V249 L250 C252 H260 L270 Q273 | V199-M262 HydrophobicContact CB-CE 4.12Å; V199-M262 HydrophobicContact CG1-CE 3.67Å; V199-M262 HydrophobicContact CG2-CE 4.11Å; L213-M262 HydrophobicContact CD2-CG 3.74Å; L213-M262 HydrophobicContact CD2-SD 4.16Å; V249-M262 CarbonylContact C-O 3.28Å; V249-M262 WeakPolarHBondContact CA-O 3.33Å; L250-M262 HydrophobicContact CB-CB 4.19Å; L250-M262 HydrophobicContact CB-CE 4.08Å; L250-M262 HydrophobicContact CD1-CB 4.26Å; L250-M262 HydrophobicContact CD1-CE 4.48Å; L250-M262 HydrophobicContact CG-CB 4.48Å; L250-M262 PolarHBondContact N-O 3.07Å; L250-M262 PolarHBondContact O-N 3.15Å; C252-M262 HydrophobicContact CB-CE 4.07Å; H260-M262 HydrophobicContact CB-SD 4.01Å; M262-L270 HydrophobicContact CB-CD1 3.73Å; M262-L270 HydrophobicContact CG-CD1 4.04Å; M262-Q273 HydrophobicContact CG-CB 4.37Å |
| 263 | R | 95.4 | Very high | 93.5 | Very high | 68 Ų | 68 | 39.4 Ų | 39.4 | 26% | 0.257 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.1 | 170.8 | 176.5 | 167.3 | -72.3 | -108.6 | -7.6 | 110.6 | N248 D271 R272 V317 | N248-R263 CarbonylContact O-C 3.59Å; N248-R263 VanDerWaalsContact O-CA 3.27Å; N248-R263 WeakPolarHBondContact O-CA 3.33Å; R263-D271 PolarHBondContact O-N 2.9Å; R263-R272 HydrophobicContact CB-CB 4.3Å; R263-R272 PolarHBondContact N-O 3.43Å; R263-R272 PolarHBondContact O-N 3.2Å; R263-V317 HydrophobicContact CB-CG2 3.56Å |
| 264 | V | 94.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.5 | 175.7 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | L201 W211 N248 L250 K269 | L201-V264 HydrophobicContact CD2-CG1 4.05Å; L201-V264 HydrophobicContact CD2-CG2 4.45Å; W211-V264 HydrophobicContact CZ2-CG2 3.9Å; N248-V264 PolarHBondContact O-N 3.17Å; L250-V264 HydrophobicContact CD1-CG2 3.7Å; L250-V264 HydrophobicContact CG-CG2 4.11Å; V264-K269 CarbonylContact C-O 3.58Å; V264-K269 WeakPolarHBondContact CA-O 3.34Å |
| 265 | G | 90.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 40 Ų | 40 | 13% | 0.134 | 22% | 0.215 | C | C | . | . | trans | -87.5 | -166.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | S268 K269 D271 | G265-S268 PolarHBondContact O-N 2.85Å; G265-S268 VanDerWaalsContact O-N 3.13Å; G265-K269 PolarHBondContact N-O 2.84Å; G265-D271 WeakPolarHBondContact CA-OD1 3.34Å; G265-D271 WeakPolarHBondContact CA-OD2 3.45Å | ||
| 266 | S | 86.1 | Confident | 92.7 | Very high | 105 Ų | 105 | 39.1 Ų | 39.1 | 73% | 0.734 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -55.5 | 138.5 | 171.9 | 70.8 | 0 | 0 | 0 | 0 | 111.2 | S268 | S266-S268 PolarHBondContact O-N 2.93Š|
| 267 | G | 84.6 | Confident | 92.6 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 62% | 0.619 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | 67.6 | 15.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K269 | G267-K269 VanDerWaalsContact C-N 3.3Å; G267-K269 PolarHBondContact O-N 2.78Å |
| 268 | S | 89.3 | Confident | 92.6 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | 67.3 | 24.3 | 179.7 | -55.4 | 0 | 0 | 0 | 0 | 114.7 | R183 L201 V210 W211 G265 S266 | R183-S268 PolarHBondContact NH1-OG 3.14Å; L201-S268 WeakPolarHBondContact CD2-O 3.5Å; V210-S268 WeakPolarHBondContact CG1-O 3.28Å; W211-S268 PolarHBondContact NE1-O 3.2Å; G265-S268 PolarHBondContact O-N 2.85Å; G265-S268 VanDerWaalsContact O-N 3.13Å; S266-S268 PolarHBondContact O-N 2.93Å |
| 269 | K | 92.3 | Very high | 92.5 | Very high | 145 Ų | 145 | 43.9 Ų | 43.9 | 63% | 0.63 | 24% | 0.236 | S | C | * | . | trans | -78.1 | 151.6 | 173.6 | -64.7 | -178 | 179.8 | 179.9 | 0 | 110.7 | V264 G265 G267 D271 | V264-K269 CarbonylContact C-O 3.58Å; V264-K269 WeakPolarHBondContact CA-O 3.34Å; G265-K269 PolarHBondContact N-O 2.84Å; G267-K269 VanDerWaalsContact C-N 3.3Å; G267-K269 PolarHBondContact O-N 2.78Å; K269-D271 PolarHBondContact O-N 2.82Å | ||
| 270 | L | 94.1 | Very high | 92.4 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 27% | 0.272 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 113.4 | 168.6 | -178.9 | 60.9 | 0 | 0 | 0 | 108.1 | W211 L213 M262 | W211-L270 HydrophobicContact CD2-CB 4.19Å; W211-L270 HydrophobicContact CG-CB 4.2Å; W211-L270 HydrophobicContact CZ2-CD1 4.46Å; L213-L270 HydrophobicContact CB-CD2 4.47Å; L213-L270 HydrophobicContact CD1-CD2 4.21Å; L213-L270 HydrophobicContact CD2-CD2 4.35Å; M262-L270 HydrophobicContact CB-CD1 3.73Å; M262-L270 HydrophobicContact CG-CD1 4.04Å |
| 271 | D | 90.1 | Very high | 92.3 | Very high | 92 Ų | 92 | 53.3 Ų | 53.3 | 49% | 0.492 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -45.3 | -175.3 | -83.2 | 11.8 | 0 | 0 | 0 | 112 | R263 G265 K269 | R263-D271 PolarHBondContact O-N 2.9Å; G265-D271 WeakPolarHBondContact CA-OD1 3.34Å; G265-D271 WeakPolarHBondContact CA-OD2 3.45Å; K269-D271 PolarHBondContact O-N 2.82Å |
| 272 | R | 90.1 | Very high | 92.3 | Very high | 137 Ų | 137 | 53.3 Ų | 53.3 | 52% | 0.517 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 152 | -178.8 | -57.1 | -176.4 | 87.2 | -176.4 | 2.8 | 109.6 | R263 V317 | R263-R272 HydrophobicContact CB-CB 4.3Å; R263-R272 PolarHBondContact N-O 3.43Å; R263-R272 PolarHBondContact O-N 3.2Å; R272-V317 HydrophobicContact CB-CG1 4.15Å |
| 273 | Q | 92.5 | Very high | 92.3 | Very high | 61 Ų | 61 | 53.3 Ų | 53.3 | 29% | 0.285 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 160.8 | 171.8 | 71.2 | -168.8 | 19.3 | 0 | 0 | 110.3 | L261 M262 V317 | L261-Q273 CarbonylContact O-C 3.46Å; L261-Q273 VanDerWaalsContact O-CA 3.23Å; L261-Q273 WeakPolarHBondContact O-CA 3.44Å; M262-Q273 HydrophobicContact CG-CB 4.37Å; Q273-V317 VanDerWaalsContact C-CG1 3.41Å |
| 274 | G | 90.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.9 | -176.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | H260 L261 V318 | H260-G274 CarbonylContact C-O 3.55Å; H260-G274 WeakPolarHBondContact CA-O 3.45Å; L261-G274 PolarHBondContact N-O 2.86Å; L261-G274 PolarHBondContact O-N 2.8Å; G274-V318 VanDerWaalsContact CA-O 3.32Å; G274-V318 WeakPolarHBondContact CA-O 3.46Å |
| 275 | A | 92.1 | Very high | 92.7 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 151.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R258 V259 V318 | R258-A275 HydrophobicContact CB-CB 4.45Å; V259-A275 WeakPolarHBondContact O-CA 3.42Å; A275-V318 PolarHBondContact N-O 2.91Å |
| 276 | I | 92.6 | Very high | 93 | Very high | 16 Ų | 16 | 50.8 Ų | 50.8 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.1 | 168.9 | 57.1 | 172.4 | 0 | 0 | 0 | 108.9 | R258 V259 L261 A278 L298 W310 V318 | R258-I276 CarbonylContact C-O 3.49Å; R258-I276 WeakPolarHBondContact CA-O 3.5Å; R258-I276 WeakPolarHBondContact CB-O 3.21Å; V259-I276 HydrophobicContact CB-CD1 4.31Å; V259-I276 HydrophobicContact CB-CG1 3.9Å; V259-I276 PolarHBondContact N-O 2.76Å; V259-I276 PolarHBondContact O-N 2.91Å; L261-I276 HydrophobicContact CD1-CG2 4.33Å; I276-A278 HydrophobicContact CG1-CB 4.5Å; I276-A278 PolarHBondContact O-N 3.21Å; I276-A278 VanDerWaalsContact O-N 3.11Å; I276-L298 HydrophobicContact CD1-CD2 4.39Å; I276-W310 HydrophobicContact CD1-CD2 3.63Å; I276-W310 HydrophobicContact CD1-CE3 3.75Å; I276-W310 HydrophobicContact CD1-CG 4.11Å; I276-W310 HydrophobicContact CD1-CH2 4.28Å; I276-W310 HydrophobicContact CD1-CZ2 4.2Å; I276-W310 HydrophobicContact CD1-CZ3 4.06Å; I276-V318 HydrophobicContact CG2-CB 3.89Å; I276-V318 HydrophobicContact CG2-CG1 4.26Å; I276-V318 HydrophobicContact CG2-CG2 3.81Å |
| 277 | K | 93.1 | Very high | 93.6 | Very high | 117 Ų | 117 | 47.5 Ų | 47.5 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 93.7 | 169.5 | -176 | 56.7 | 168.5 | 160.7 | 0 | 107.6 | D256 R258 H279 | D256-K277 PolarHBondContact O-NZ 3.27Å; R258-K277 HydrophobicContact CG-CD 4.03Å; K277-H279 WeakPolarHBondContact CD-O 3.46Å; K277-H279 WeakPolarHBondContact CE-O 3.07Å; K277-H279 PolarHBondContact NZ-O 2.85Å |
| 278 | A | 93.6 | Very high | 94.2 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 15% | 0.149 | 23% | 0.227 | C | C | . | . | trans | -87.1 | -36.9 | -173 | 0 | 0 | 0 | 0 | 0 | 112.3 | G257 V259 I276 W310 | G257-A278 PolarHBondContact O-N 2.95Å; V259-A278 HydrophobicContact CG2-CB 3.97Å; I276-A278 HydrophobicContact CG1-CB 4.5Å; I276-A278 PolarHBondContact O-N 3.21Å; I276-A278 VanDerWaalsContact O-N 3.11Å; A278-W310 HydrophobicContact CB-CH2 4.29Å; A278-W310 HydrophobicContact CB-CZ2 3.58Å | ||
| 279 | H | 95.4 | Very high | 94.4 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.019 | 22% | 0.223 | C | C | . | . | trans | -130.7 | 149.6 | -173.6 | -65.5 | -80.6 | 0 | 0 | 0 | 111.4 | G257 K277 Q281 T300 G301 G302 D304 M306 | G257-H279 PolarHBondContact O-N 2.8Å; K277-H279 WeakPolarHBondContact CD-O 3.46Å; K277-H279 WeakPolarHBondContact CE-O 3.07Å; K277-H279 PolarHBondContact NZ-O 2.85Å; H279-Q281 CarbonylContact C-O 3.58Å; H279-Q281 VanDerWaalsContact CB-O 3.25Å; H279-Q281 WeakPolarHBondContact CB-O 3.44Å; H279-T300 WeakPolarHBondContact NE2-CB 3.41Å; H279-T300 PolarHBondContact NE2-OG1 3.21Å; H279-G301 VanDerWaalsContact CE1-C 3.5Å; H279-G302 PolarHBondContact CE1-N 3.33Å; H279-G302 VanDerWaalsContact CE1-N 3.33Å; H279-D304 WeakPolarHBondContact CA-OD2 3.32Å; H279-D304 WeakPolarHBondContact CB-OD2 3.39Å; H279-D304 IonicContact CE1-OD1 3.13Å; H279-D304 IonicContact CG-OD1 2.74Å; H279-D304 IonicContact CG-OD2 3.45Å; H279-D304 IonicContact ND1-OD1 3.1Å; H279-D304 PolarHBondContact ND1-OD1 3.33Å; H279-D304 IonicContact ND1-OD2 2.89Å; H279-M306 PolarHBondContact CE1-O 3.01Å | ||
| 280 | S | 94.1 | Very high | 94.2 | Very high | 94 Ų | 94 | 41.7 Ų | 41.7 | 66% | 0.657 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -74.6 | -30.6 | 176.6 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | D304 | S280-D304 PolarHBondContact N-OD2 2.92Å; S280-D304 WeakPolarHBondContact OG-CB 3.47Å; S280-D304 PolarHBondContact OG-OD2 3.25Å |
| 281 | Q | 95.3 | Very high | 93.8 | Very high | 106 Ų | 106 | 41.8 Ų | 41.8 | 50% | 0.495 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -108.6 | -171.2 | 167.7 | -60.2 | -175.7 | 40.4 | 0 | 0 | 110 | G257 H279 N303 D304 | G257-Q281 WeakPolarHBondContact CA-O 3.44Å; H279-Q281 CarbonylContact C-O 3.58Å; H279-Q281 VanDerWaalsContact CB-O 3.25Å; H279-Q281 WeakPolarHBondContact CB-O 3.44Å; Q281-N303 HydrophobicContact CB-CB 4Å; Q281-N303 PolarHBondContact OE1-O 3.33Å; Q281-D304 HydrophobicContact CB-CB 4.09Å; Q281-D304 HydrophobicContact CG-CB 4.09Å |
| 282 | G | 96.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | trans | -53.6 | 137.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E255 G302 N303 | E255-G282 WeakPolarHBondContact O-CA 3.47Å; G282-G302 WeakPolarHBondContact O-CA 3.21Å; G282-N303 PolarHBondContact O-N 2.78Å | ||
| 283 | A | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 114.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | A253 A254 V259 | A253-A283 CarbonylContact C-O 3.48Å; A253-A283 HydrophobicContact CB-CB 3.99Å; A253-A283 WeakPolarHBondContact CB-O 3.5Å; A254-A283 PolarHBondContact N-O 2.89Å; A254-A283 PolarHBondContact O-N 3.25Å; V259-A283 HydrophobicContact CG2-CB 4.28Å |
| 284 | S | 97.6 | Very high | 92.8 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -33.8 | -175.3 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | C240 G301 V394 | C240-S284 WeakPolarHBondContact CB-O 3.27Å; S284-G301 PolarHBondContact N-O 3.08Å; S284-G301 PolarHBondContact OG-O 3.27Å; S284-G301 VanDerWaalsContact OG-O 3.13Å; S284-V394 WeakPolarHBondContact CB-O 3.43Å; S284-V394 PolarHBondContact OG-O 3.23Å |
| 285 | Q | 98.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142.1 | -171.8 | -67 | -67.7 | -12.6 | 0 | 0 | 112.2 | C240 H287 T300 G301 N395 V397 | C240-Q285 PolarHBondContact SG-OE1 2.58Å; Q285-H287 PolarHBondContact OE1-NE2 3.21Å; Q285-T300 VanDerWaalsContact O-CA 3.25Å; Q285-T300 WeakPolarHBondContact O-CA 3.42Å; Q285-G301 PolarHBondContact N-O 2.78Å; Q285-G301 VanDerWaalsContact N-O 3.15Å; Q285-G301 PolarHBondContact O-N 3.19Å; Q285-N395 WeakPolarHBondContact CG-O 3.38Å; Q285-N395 PolarHBondContact NE2-O 2.84Å; Q285-V397 HydrophobicContact CB-CB 4.21Å; Q285-V397 HydrophobicContact CB-CG2 4Å; Q285-V397 HydrophobicContact CG-CG2 4.48Å |
| 286 | A | 98.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 111.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S242 A251 A253 V259 L298 A299 T300 | S242-A286 WeakPolarHBondContact CB-O 3.46Å; A251-A286 HydrophobicContact CB-CB 4.27Å; A253-A286 HydrophobicContact CB-CB 3.85Å; V259-A286 HydrophobicContact CG1-CB 3.94Å; V259-A286 HydrophobicContact CG2-CB 4.18Å; A286-L298 HydrophobicContact CB-CD1 4.28Å; A286-A299 CarbonylContact C-O 3.59Å; A286-A299 WeakPolarHBondContact CA-O 3.43Å; A286-T300 HydrophobicContact CB-CG2 4.35Å |
| 287 | H | 97.9 | Very high | 92.7 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 17% | 0.167 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130 | -175.6 | -70.1 | -73.1 | 0 | 0 | 0 | 112.2 | Q285 L289 A299 V397 P399 | Q285-H287 PolarHBondContact OE1-NE2 3.21Å; H287-L289 WeakPolarHBondContact O-CD1 3.23Å; H287-A299 PolarHBondContact N-O 3.49Å; H287-A299 PolarHBondContact O-N 3.3Å; H287-V397 PolarHBondContact CD2-O 3.42Å; H287-V397 PolarHBondContact NE2-O 3.38Å; H287-P399 HydrophobicContact CB-CG 3.82Å |
| 288 | F | 96.8 | Very high | 92.8 | Very high | 21 Ų | 21 | 33.9 Ų | 33.9 | 9% | 0.092 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 140.8 | 174 | -73.7 | -76.2 | 0 | 0 | 0 | 111.8 | S242 A244 V249 A251 W297 L298 | S242-F288 PolarHBondContact OG-N 2.85Å; A244-F288 HydrophobicContact CB-CD1 4.01Å; A244-F288 HydrophobicContact CB-CD2 3.96Å; A244-F288 HydrophobicContact CB-CE1 4.2Å; A244-F288 HydrophobicContact CB-CE2 4.12Å; A244-F288 HydrophobicContact CB-CG 3.9Å; A244-F288 HydrophobicContact CB-CZ 4.26Å; V249-F288 HydrophobicContact CG1-CE1 4.38Å; V249-F288 HydrophobicContact CG1-CZ 3.83Å; A251-F288 HydrophobicContact CB-CD2 4.45Å; A251-F288 HydrophobicContact CB-CE2 3.56Å; A251-F288 HydrophobicContact CB-CZ 3.77Å; F288-W297 CarbonylContact C-O 3.49Å; F288-W297 VanDerWaalsContact CA-O 3.29Å; F288-W297 WeakPolarHBondContact CA-O 3.34Å; F288-W297 WeakPolarHBondContact CD1-O 3.34Å; F288-L298 HydrophobicContact CD1-CB 4.31Å; F288-L298 HydrophobicContact CD1-CD1 3.99Å; F288-L298 HydrophobicContact CD2-CD1 4.26Å; F288-L298 HydrophobicContact CE1-CB 4.28Å; F288-L298 HydrophobicContact CE1-CD1 3.97Å; F288-L298 HydrophobicContact CE2-CD1 4.26Å; F288-L298 HydrophobicContact CG-CD1 4.13Å; F288-L298 HydrophobicContact CZ-CD1 4.11Å |
| 289 | L | 94.3 | Very high | 93 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | trans | -97.4 | 104.5 | 178.6 | -69.1 | 79.9 | 0 | 0 | 0 | 109.3 | H287 F291 L292 W297 A299 L309 P399 L408 L422 | H287-L289 WeakPolarHBondContact O-CD1 3.23Å; L289-F291 HydrophobicContact CB-CE2 4.37Å; L289-F291 HydrophobicContact CB-CZ 4.28Å; L289-F291 HydrophobicContact CD2-CE2 3.98Å; L289-F291 HydrophobicContact CD2-CZ 3.92Å; L289-F291 HydrophobicContact CG-CE2 4.5Å; L289-F291 HydrophobicContact CG-CZ 4.16Å; L289-L292 HydrophobicContact CB-CB 4.46Å; L289-L292 HydrophobicContact CB-CD1 3.9Å; L289-L292 HydrophobicContact CB-CG 4.07Å; L289-L292 HydrophobicContact CD2-CD1 3.55Å; L289-L292 HydrophobicContact CD2-CG 4.22Å; L289-L292 HydrophobicContact CG-CD1 4.31Å; L289-W297 HydrophobicContact CB-CB 3.9Å; L289-W297 HydrophobicContact CD1-CB 4.38Å; L289-W297 PolarHBondContact N-O 3.39Å; L289-A299 HydrophobicContact CD1-CB 3.74Å; L289-A299 VanDerWaalsContact CD1-N 3.29Å; L289-L309 HydrophobicContact CD1-CD2 4.24Å; L289-L309 HydrophobicContact CD2-CD2 4.26Å; L289-P399 HydrophobicContact CD1-CB 4.29Å; L289-P399 HydrophobicContact CD1-CG 4.13Å; L289-P399 HydrophobicContact CD2-CB 4.05Å; L289-P399 HydrophobicContact CG-CB 3.64Å; L289-P399 HydrophobicContact CG-CG 4.02Å; L289-L408 HydrophobicContact CD2-CD2 4.31Å; L289-L422 HydrophobicContact CD2-CD1 3.71Å | ||
| 290 | S | 86.6 | Confident | 93.2 | Very high | 75 Ų | 75 | 32.8 Ų | 32.8 | 52% | 0.524 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -24.7 | -176.4 | 56.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 291 | F | 86.1 | Confident | 93.4 | Very high | 55 Ų | 55 | 28.3 Ų | 28.3 | 24% | 0.241 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -4.7 | -174.1 | 49.1 | -101.7 | 0 | 0 | 0 | 114 | L289 P399 L401 P406 | L289-F291 HydrophobicContact CB-CE2 4.37Å; L289-F291 HydrophobicContact CB-CZ 4.28Å; L289-F291 HydrophobicContact CD2-CE2 3.98Å; L289-F291 HydrophobicContact CD2-CZ 3.92Å; L289-F291 HydrophobicContact CG-CE2 4.5Å; L289-F291 HydrophobicContact CG-CZ 4.16Å; F291-P399 HydrophobicContact CE1-CB 3.99Å; F291-P399 HydrophobicContact CZ-CB 3.81Å; F291-L401 HydrophobicContact CB-CD1 3.93Å; F291-L401 HydrophobicContact CB-CD2 4.02Å; F291-L401 HydrophobicContact CB-CG 4Å; F291-L401 HydrophobicContact CD1-CD2 4.47Å; F291-L401 HydrophobicContact CD1-CG 4.13Å; F291-L401 HydrophobicContact CD2-CD2 3.77Å; F291-L401 HydrophobicContact CD2-CG 4.32Å; F291-L401 HydrophobicContact CE2-CD2 4.38Å; F291-L401 HydrophobicContact CG-CD1 4.37Å; F291-L401 HydrophobicContact CG-CD2 3.83Å; F291-L401 HydrophobicContact CG-CG 3.89Å; F291-P406 HydrophobicContact CD2-CB 4.15Å; F291-P406 HydrophobicContact CD2-CG 4.27Å; F291-P406 HydrophobicContact CE2-CB 3.83Å; F291-P406 HydrophobicContact CE2-CG 4.44Å |
| 292 | L | 85.8 | Confident | 93.5 | Very high | 17 Ų | 17 | 23.3 Ų | 23.3 | 9% | 0.089 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -85.5 | 164.9 | 174.2 | -68.7 | -175.2 | 0 | 0 | 0 | 111.1 | L289 H294 W297 P406 | L289-L292 HydrophobicContact CB-CB 4.46Å; L289-L292 HydrophobicContact CB-CD1 3.9Å; L289-L292 HydrophobicContact CB-CG 4.07Å; L289-L292 HydrophobicContact CD2-CD1 3.55Å; L289-L292 HydrophobicContact CD2-CG 4.22Å; L289-L292 HydrophobicContact CG-CD1 4.31Å; L292-H294 PolarHBondContact O-N 3.12Å; L292-W297 HydrophobicContact CB-CB 4.2Å; L292-W297 HydrophobicContact CB-CG 3.91Å; L292-W297 HydrophobicContact CD1-CB 3.74Å; L292-W297 HydrophobicContact CD1-CD2 3.71Å; L292-W297 HydrophobicContact CD1-CE3 4.22Å; L292-W297 HydrophobicContact CD1-CG 3.49Å; L292-W297 VanDerWaalsContact CD1-CG 3.49Å; L292-W297 HydrophobicContact CG-CG 4.36Å; L292-P406 HydrophobicContact CD2-CB 4.09Å; L292-P406 HydrophobicContact CD2-CG 4.07Å |
| 293 | P | 81.3 | Confident | 93.6 | Very high | 123 Ų | 123 | 25 Ų | 25 | 80% | 0.799 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -57.6 | -20.2 | -164.8 | -29.1 | 36.2 | 0 | 0 | 0 | 116.8 | ||
| 294 | H | 85.4 | Confident | 93.5 | Very high | 37 Ų | 37 | 26.7 Ų | 26.7 | 17% | 0.171 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -142.4 | 157.1 | 175 | 69.1 | 78.6 | 0 | 0 | 0 | 110.3 | L292 Y296 W297 D311 | L292-H294 PolarHBondContact O-N 3.12Å; H294-Y296 VanDerWaalsContact CE1-C 3.43Å; H294-Y296 WeakPolarHBondContact ND1-CA 3.35Å; H294-Y296 WeakPolarHBondContact ND1-CB 3.32Å; H294-Y296 AromaticContact ND1-CD2 3.93Å; H294-Y296 PolarHBondContact ND1-N 2.72Å; H294-Y296 VanDerWaalsContact ND1-N 3.12Å; H294-Y296 PolarHBondContact O-N 2.93Å; H294-W297 AromaticContact CD2-CD1 3.77Å; H294-W297 AromaticContact CD2-NE1 3.66Å; H294-W297 AromaticContact CE1-CD1 3.41Å; H294-W297 VanDerWaalsContact CE1-CD1 3.41Å; H294-W297 AromaticContact CE1-NE1 3.72Å; H294-W297 AromaticContact NE2-CD1 3.23Å; H294-W297 AromaticContact NE2-CE2 3.95Å; H294-W297 AromaticContact NE2-NE1 3.07Å; H294-W297 PolarHBondContact NE2-NE1 2.96Å; H294-D311 IonicContact CE1-OD1 2.69Å; H294-D311 PolarHBondContact CE1-OD1 2.92Å; H294-D311 VanDerWaalsContact CE1-OD1 3.27Å; H294-D311 IonicContact NE2-OD1 3.69Å; H294-D311 PolarHBondContact NE2-OD1 2.8Å |
| 295 | P | 86.6 | Confident | 93.4 | Very high | 34 Ų | 34 | 26 Ų | 26 | 22% | 0.221 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 12.8 | -169.1 | 34.9 | -40 | 0 | 0 | 0 | 114.2 | A244 T245 C246 | A244-P295 WeakPolarHBondContact CB-O 3.49Å; T245-P295 WeakPolarHBondContact OG1-CB 3.42Å; C246-P295 HydrophobicContact CB-CG 4.32Å |
| 296 | Y | 91.1 | Very high | 93.4 | Very high | 45 Ų | 45 | 26.8 Ų | 26.8 | 18% | 0.176 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 20.3 | -170.9 | -49.3 | -56.5 | 0 | 0 | 0 | 112.3 | V249 H294 L312 P316 | V249-Y296 HydrophobicContact CB-CD1 4.37Å; V249-Y296 HydrophobicContact CB-CE1 4.1Å; V249-Y296 HydrophobicContact CG2-CD1 4.16Å; V249-Y296 HydrophobicContact CG2-CE1 3.54Å; H294-Y296 VanDerWaalsContact CE1-C 3.43Å; H294-Y296 WeakPolarHBondContact ND1-CA 3.35Å; H294-Y296 WeakPolarHBondContact ND1-CB 3.32Å; H294-Y296 AromaticContact ND1-CD2 3.93Å; H294-Y296 PolarHBondContact ND1-N 2.72Å; H294-Y296 VanDerWaalsContact ND1-N 3.12Å; H294-Y296 PolarHBondContact O-N 2.93Å; Y296-L312 WeakPolarHBondContact O-CB 3.3Å; Y296-L312 PolarHBondContact O-N 3.32Å; Y296-P316 HydrophobicContact CD1-CB 3.92Å; Y296-P316 HydrophobicContact CD2-CB 4.28Å; Y296-P316 HydrophobicContact CE1-CB 4.07Å; Y296-P316 HydrophobicContact CE2-CB 4.39Å; Y296-P316 HydrophobicContact CG-CB 4.03Å |
| 297 | W | 94.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 26.8 Ų | 26.8 | 5% | 0.049 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 130.3 | 163.4 | -84.6 | 96.8 | 0 | 0 | 0 | 109.4 | F288 L289 L292 H294 L309 W310 D311 K385 L425 | F288-W297 CarbonylContact C-O 3.49Å; F288-W297 VanDerWaalsContact CA-O 3.29Å; F288-W297 WeakPolarHBondContact CA-O 3.34Å; F288-W297 WeakPolarHBondContact CD1-O 3.34Å; L289-W297 HydrophobicContact CB-CB 3.9Å; L289-W297 HydrophobicContact CD1-CB 4.38Å; L289-W297 PolarHBondContact N-O 3.39Å; L292-W297 HydrophobicContact CB-CB 4.2Å; L292-W297 HydrophobicContact CB-CG 3.91Å; L292-W297 HydrophobicContact CD1-CB 3.74Å; L292-W297 HydrophobicContact CD1-CD2 3.71Å; L292-W297 HydrophobicContact CD1-CE3 4.22Å; L292-W297 HydrophobicContact CD1-CG 3.49Å; L292-W297 VanDerWaalsContact CD1-CG 3.49Å; L292-W297 HydrophobicContact CG-CG 4.36Å; H294-W297 AromaticContact CD2-CD1 3.77Å; H294-W297 AromaticContact CD2-NE1 3.66Å; H294-W297 AromaticContact CE1-CD1 3.41Å; H294-W297 VanDerWaalsContact CE1-CD1 3.41Å; H294-W297 AromaticContact CE1-NE1 3.72Å; H294-W297 AromaticContact NE2-CD1 3.23Å; H294-W297 AromaticContact NE2-CE2 3.95Å; H294-W297 AromaticContact NE2-NE1 3.07Å; H294-W297 PolarHBondContact NE2-NE1 2.96Å; W297-L309 HydrophobicContact CE3-CB 4.37Å; W297-L309 HydrophobicContact CZ3-CB 4.04Å; W297-W310 VanDerWaalsContact CA-O 3.31Å; W297-W310 WeakPolarHBondContact CA-O 3.49Å; W297-D311 HydrophobicContact CD2-CB 4.3Å; W297-D311 HydrophobicContact CE3-CB 4.33Å; W297-D311 HydrophobicContact CH2-CB 3.9Å; W297-D311 HydrophobicContact CZ2-CB 3.82Å; W297-D311 HydrophobicContact CZ3-CB 4.13Å; W297-K385 HydrophobicContact CH2-CB 3.8Å; W297-K385 HydrophobicContact CH2-CG 3.7Å; W297-K385 HydrophobicContact CZ3-CB 3.88Å; W297-K385 HydrophobicContact CZ3-CG 3.99Å; W297-L425 HydrophobicContact CH2-CD2 4.16Å |
| 298 | L | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.4 | -179.1 | -177.7 | 75.5 | 0 | 0 | 0 | 109.2 | A251 V259 L261 I276 A286 F288 T300 L309 W310 L312 | A251-L298 HydrophobicContact CB-CD1 3.77Å; A251-L298 HydrophobicContact CB-CD2 4.34Å; V259-L298 HydrophobicContact CG1-CD2 4.06Å; L261-L298 HydrophobicContact CD2-CD2 4.39Å; I276-L298 HydrophobicContact CD1-CD2 4.39Å; A286-L298 HydrophobicContact CB-CD1 4.28Å; F288-L298 HydrophobicContact CD1-CB 4.31Å; F288-L298 HydrophobicContact CD1-CD1 3.99Å; F288-L298 HydrophobicContact CD2-CD1 4.26Å; F288-L298 HydrophobicContact CE1-CB 4.28Å; F288-L298 HydrophobicContact CE1-CD1 3.97Å; F288-L298 HydrophobicContact CE2-CD1 4.26Å; F288-L298 HydrophobicContact CG-CD1 4.13Å; F288-L298 HydrophobicContact CZ-CD1 4.11Å; L298-T300 HydrophobicContact CD2-CG2 3.8Å; L298-T300 HydrophobicContact CG-CG2 3.97Å; L298-L309 CarbonylContact O-C 3.56Å; L298-L309 WeakPolarHBondContact O-CA 3.47Å; L298-W310 HydrophobicContact CB-CB 4.27Å; L298-W310 PolarHBondContact N-O 3.26Å; L298-W310 PolarHBondContact O-N 2.93Å; L298-L312 HydrophobicContact CB-CD1 4.18Å; L298-L312 HydrophobicContact CD2-CD1 4.18Å |
| 299 | A | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 137.6 | 165 | 0 | 0 | 0 | 0 | 0 | 109.8 | A286 H287 L289 A308 L309 V397 P399 L408 | A286-A299 CarbonylContact C-O 3.59Å; A286-A299 WeakPolarHBondContact CA-O 3.43Å; H287-A299 PolarHBondContact N-O 3.49Å; H287-A299 PolarHBondContact O-N 3.3Å; L289-A299 HydrophobicContact CD1-CB 3.74Å; L289-A299 VanDerWaalsContact CD1-N 3.29Å; A299-A308 CarbonylContact C-O 3.53Å; A299-A308 WeakPolarHBondContact CA-O 3.46Å; A299-L309 HydrophobicContact CB-CD2 3.64Å; A299-V397 HydrophobicContact CB-CG1 3.96Å; A299-P399 HydrophobicContact CB-CG 4.32Å; A299-L408 HydrophobicContact CB-CD1 4.43Å; A299-L408 HydrophobicContact CB-CD2 3.9Å |
| 300 | T | 98.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142.3 | 175.9 | 67.8 | 0 | 0 | 0 | 0 | 110.4 | V259 H279 Q285 A286 L298 V307 A308 W310 | V259-T300 HydrophobicContact CG2-CG2 3.76Å; H279-T300 WeakPolarHBondContact NE2-CB 3.41Å; H279-T300 PolarHBondContact NE2-OG1 3.21Å; Q285-T300 VanDerWaalsContact O-CA 3.25Å; Q285-T300 WeakPolarHBondContact O-CA 3.42Å; A286-T300 HydrophobicContact CB-CG2 4.35Å; L298-T300 HydrophobicContact CD2-CG2 3.8Å; L298-T300 HydrophobicContact CG-CG2 3.97Å; T300-V307 WeakPolarHBondContact O-CA 3.22Å; T300-A308 PolarHBondContact N-O 2.89Å; T300-A308 PolarHBondContact O-N 2.87Å; T300-W310 PolarHBondContact OG1-NE1 3.48Å |
| 301 | G | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 148.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | H279 S284 Q285 | H279-G301 VanDerWaalsContact CE1-C 3.5Å; S284-G301 PolarHBondContact N-O 3.08Å; S284-G301 PolarHBondContact OG-O 3.27Å; S284-G301 VanDerWaalsContact OG-O 3.13Å; Q285-G301 PolarHBondContact N-O 2.78Å; Q285-G301 VanDerWaalsContact N-O 3.15Å; Q285-G301 PolarHBondContact O-N 3.19Å |
| 302 | G | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 166.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H279 G282 D304 G305 M306 V394 | H279-G302 PolarHBondContact CE1-N 3.33Å; H279-G302 VanDerWaalsContact CE1-N 3.33Å; G282-G302 WeakPolarHBondContact O-CA 3.21Å; G302-D304 PolarHBondContact O-N 3.5Å; G302-G305 PolarHBondContact O-N 3.26Å; G302-G305 VanDerWaalsContact O-N 3.07Å; G302-M306 PolarHBondContact N-O 2.82Å; G302-V394 PolarHBondContact O-N 3.1Å |
| 303 | N | 97.5 | Very high | 93.7 | Very high | 37 Ų | 37 | 22.4 Ų | 22.4 | 20% | 0.198 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -7.2 | 175.1 | -67.3 | -14.2 | 0 | 0 | 0 | 112.6 | Q281 G282 | Q281-N303 HydrophobicContact CB-CB 4Å; Q281-N303 PolarHBondContact OE1-O 3.33Å; G282-N303 PolarHBondContact O-N 2.78Å |
| 304 | D | 96.4 | Very high | 93.8 | Very high | 35 Ų | 35 | 24.3 Ų | 24.3 | 19% | 0.187 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 3.7 | 169.5 | 61.6 | -1.4 | 0 | 0 | 0 | 113.6 | H279 S280 Q281 G302 M306 | H279-D304 WeakPolarHBondContact CA-OD2 3.32Å; H279-D304 WeakPolarHBondContact CB-OD2 3.39Å; H279-D304 IonicContact CE1-OD1 3.13Å; H279-D304 IonicContact CG-OD1 2.74Å; H279-D304 IonicContact CG-OD2 3.45Å; H279-D304 IonicContact ND1-OD1 3.1Å; H279-D304 PolarHBondContact ND1-OD1 3.33Å; H279-D304 IonicContact ND1-OD2 2.89Å; S280-D304 PolarHBondContact N-OD2 2.92Å; S280-D304 WeakPolarHBondContact OG-CB 3.47Å; S280-D304 PolarHBondContact OG-OD2 3.25Å; Q281-D304 HydrophobicContact CB-CB 4.09Å; Q281-D304 HydrophobicContact CG-CB 4.09Å; G302-D304 PolarHBondContact O-N 3.5Å; D304-M306 PolarHBondContact O-N 3.48Å; D304-M306 WeakPolarHBondContact OD1-CB 3.19Å; D304-M306 PolarHBondContact OD1-N 2.84Å |
| 305 | G | 96.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 67.8 | 21.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G302 H390 G391 D392 | G302-G305 PolarHBondContact O-N 3.26Å; G302-G305 VanDerWaalsContact O-N 3.07Å; G305-H390 WeakPolarHBondContact O-CB 3.38Å; G305-H390 PolarHBondContact O-N 2.98Å; G305-G391 PolarHBondContact O-N 2.85Å; G305-D392 WeakPolarHBondContact CA-O 3.32Å |
| 306 | M | 97.2 | Very high | 92.9 | Very high | 31 Ų | 31 | 25.7 Ų | 25.7 | 15% | 0.153 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 147.6 | 174.4 | -61.3 | -64.2 | -69.5 | 0 | 0 | 110.6 | H279 G302 D304 S387 S389 | H279-M306 PolarHBondContact CE1-O 3.01Å; G302-M306 PolarHBondContact N-O 2.82Å; D304-M306 PolarHBondContact O-N 3.48Å; D304-M306 WeakPolarHBondContact OD1-CB 3.19Å; D304-M306 PolarHBondContact OD1-N 2.84Å; M306-S387 WeakPolarHBondContact CE-OG 3.41Å; M306-S389 VanDerWaalsContact SD-CA 3.55Å |
| 307 | V | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 139.3 | 165.6 | 177.2 | 0 | 0 | 0 | 0 | 108 | T300 S387 F388 H390 V394 L408 V410 | T300-V307 WeakPolarHBondContact O-CA 3.22Å; V307-S387 WeakPolarHBondContact O-CA 3.49Å; V307-S387 PolarHBondContact O-OG 2.64Å; V307-F388 HydrophobicContact CB-CD2 4.23Å; V307-F388 HydrophobicContact CB-CE1 4.07Å; V307-F388 HydrophobicContact CB-CE2 3.64Å; V307-F388 HydrophobicContact CB-CZ 3.56Å; V307-F388 HydrophobicContact CG1-CE1 3.88Å; V307-F388 HydrophobicContact CG1-CE2 4.1Å; V307-F388 HydrophobicContact CG1-CZ 3.48Å; V307-F388 VanDerWaalsContact CG1-CZ 3.48Å; V307-F388 HydrophobicContact CG2-CE2 4.13Å; V307-F388 HydrophobicContact CG2-CZ 4.33Å; V307-F388 PolarHBondContact N-O 3.49Å; V307-F388 PolarHBondContact O-N 3.45Å; V307-H390 HydrophobicContact CG2-CB 4.28Å; V307-V394 HydrophobicContact CG2-CG2 3.83Å; V307-L408 HydrophobicContact CG1-CD1 4.03Å; V307-V410 HydrophobicContact CG2-CG1 4.3Å; V307-V410 HydrophobicContact CG2-CG2 4.32Å |
| 308 | A | 96.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 146.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | A299 T300 W310 P384 L386 | A299-A308 CarbonylContact C-O 3.53Å; A299-A308 WeakPolarHBondContact CA-O 3.46Å; T300-A308 PolarHBondContact N-O 2.89Å; T300-A308 PolarHBondContact O-N 2.87Å; A308-W310 HydrophobicContact CB-CZ2 4.05Å; A308-P384 HydrophobicContact CB-CB 4.05Å; A308-L386 CarbonylContact C-O 3.58Å; A308-L386 WeakPolarHBondContact CA-O 3.5Å |
| 309 | L | 95.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133 | 173.9 | -71.6 | 179.5 | 0 | 0 | 0 | 110.8 | L289 W297 L298 A299 P384 K385 L386 L408 L422 L425 | L289-L309 HydrophobicContact CD1-CD2 4.24Å; L289-L309 HydrophobicContact CD2-CD2 4.26Å; W297-L309 HydrophobicContact CE3-CB 4.37Å; W297-L309 HydrophobicContact CZ3-CB 4.04Å; L298-L309 CarbonylContact O-C 3.56Å; L298-L309 WeakPolarHBondContact O-CA 3.47Å; A299-L309 HydrophobicContact CB-CD2 3.64Å; L309-P384 CarbonylContact O-C 3.56Å; L309-P384 WeakPolarHBondContact O-CA 3.38Å; L309-P384 WeakPolarHBondContact O-CB 3.49Å; L309-K385 PolarHBondContact O-N 3.25Å; L309-L386 HydrophobicContact CB-CB 4.25Å; L309-L386 HydrophobicContact CD1-CB 4.49Å; L309-L386 HydrophobicContact CD1-CD2 4.14Å; L309-L386 PolarHBondContact N-O 2.79Å; L309-L386 PolarHBondContact O-N 3.13Å; L309-L408 HydrophobicContact CD1-CD1 4.47Å; L309-L408 HydrophobicContact CD2-CD1 4.01Å; L309-L408 HydrophobicContact CG-CD1 4.31Å; L309-L422 HydrophobicContact CD1-CD1 3.74Å; L309-L422 HydrophobicContact CD1-CD2 3.6Å; L309-L422 HydrophobicContact CD1-CG 4.26Å; L309-L422 HydrophobicContact CD2-CD1 4.42Å; L309-L425 HydrophobicContact CD1-CD1 3.51Å |
| 310 | W | 94.6 | Very high | 86 | Confident | 18 Ų | 18 | 32.4 Ų | 32.4 | 7% | 0.068 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126 | -174.4 | -48.6 | 79.6 | 0 | 0 | 0 | 109.7 | I276 A278 W297 L298 T300 A308 L312 P384 | I276-W310 HydrophobicContact CD1-CD2 3.63Å; I276-W310 HydrophobicContact CD1-CE3 3.75Å; I276-W310 HydrophobicContact CD1-CG 4.11Å; I276-W310 HydrophobicContact CD1-CH2 4.28Å; I276-W310 HydrophobicContact CD1-CZ2 4.2Å; I276-W310 HydrophobicContact CD1-CZ3 4.06Å; A278-W310 HydrophobicContact CB-CH2 4.29Å; A278-W310 HydrophobicContact CB-CZ2 3.58Å; W297-W310 VanDerWaalsContact CA-O 3.31Å; W297-W310 WeakPolarHBondContact CA-O 3.49Å; L298-W310 HydrophobicContact CB-CB 4.27Å; L298-W310 PolarHBondContact N-O 3.26Å; L298-W310 PolarHBondContact O-N 2.93Å; T300-W310 PolarHBondContact OG1-NE1 3.48Å; A308-W310 HydrophobicContact CB-CZ2 4.05Å; W310-L312 HydrophobicContact CB-CD2 4.06Å; W310-L312 HydrophobicContact CB-CG 4.14Å; W310-P384 HydrophobicContact CD2-CB 3.99Å; W310-P384 HydrophobicContact CE3-CB 4.04Å; W310-P384 HydrophobicContact CH2-CB 4.14Å; W310-P384 HydrophobicContact CH2-CG 4.19Å; W310-P384 HydrophobicContact CZ2-CB 4.05Å; W310-P384 HydrophobicContact CZ2-CG 4.36Å; W310-P384 HydrophobicContact CZ3-CB 4.13Å; W310-P384 HydrophobicContact CZ3-CG 4.41Å |
| 311 | D | 92 | Very high | 82.9 | Confident | 46 Ų | 46 | 39 Ų | 39 | 25% | 0.246 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 104.7 | 167.1 | 169.1 | 1.2 | 0 | 0 | 0 | 108 | H294 W297 S313 K385 | H294-D311 IonicContact CE1-OD1 2.69Å; H294-D311 PolarHBondContact CE1-OD1 2.92Å; H294-D311 VanDerWaalsContact CE1-OD1 3.27Å; H294-D311 IonicContact NE2-OD1 3.69Å; H294-D311 PolarHBondContact NE2-OD1 2.8Å; W297-D311 HydrophobicContact CD2-CB 4.3Å; W297-D311 HydrophobicContact CE3-CB 4.33Å; W297-D311 HydrophobicContact CH2-CB 3.9Å; W297-D311 HydrophobicContact CZ2-CB 3.82Å; W297-D311 HydrophobicContact CZ3-CB 4.13Å; D311-S313 WeakPolarHBondContact OD1-CB 3.35Å; D311-S313 PolarHBondContact OD1-N 2.54Å; D311-S313 PolarHBondContact OD1-OG 3.49Å; D311-K385 HydrophobicContact CB-CD 4.13Å; D311-K385 HydrophobicContact CB-CG 3.54Å; D311-K385 WeakPolarHBondContact OD2-CE 3.22Å; D311-K385 IonicContact OD2-NZ 3.27Å; D311-K385 PolarHBondContact OD2-NZ 3.08Å |
| 312 | L | 90.8 | Very high | 79.7 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | trans | -100.4 | 22.5 | -179.8 | -50.6 | 172.6 | 0 | 0 | 0 | 111.6 | L261 Y296 L298 W310 Q314 N315 P316 V318 | L261-L312 HydrophobicContact CD1-CD1 3.85Å; L261-L312 HydrophobicContact CD2-CD1 4.07Å; Y296-L312 WeakPolarHBondContact O-CB 3.3Å; Y296-L312 PolarHBondContact O-N 3.32Å; L298-L312 HydrophobicContact CB-CD1 4.18Å; L298-L312 HydrophobicContact CD2-CD1 4.18Å; W310-L312 HydrophobicContact CB-CD2 4.06Å; W310-L312 HydrophobicContact CB-CG 4.14Å; L312-Q314 VanDerWaalsContact C-N 3.33Å; L312-Q314 PolarHBondContact O-N 2.72Å; L312-N315 CarbonylContact O-C 3.56Å; L312-N315 VanDerWaalsContact O-C 3.28Å; L312-N315 PolarHBondContact O-N 3.44Å; L312-P316 WeakPolarHBondContact O-CA 3.46Å; L312-P316 WeakPolarHBondContact O-CB 3.13Å; L312-P316 WeakPolarHBondContact O-CD 3.45Å; L312-V318 HydrophobicContact CD2-CG2 4.25Å | ||
| 313 | S | 87.1 | Confident | 76.6 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 26% | 0.259 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -59.8 | -41 | -177.5 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | D311 | D311-S313 WeakPolarHBondContact OD1-CB 3.35Å; D311-S313 PolarHBondContact OD1-N 2.54Å; D311-S313 PolarHBondContact OD1-OG 3.49Å |
| 314 | Q | 82.5 | Confident | 73.4 | Confident | 163 Ų | 163 | 57 Ų | 57 | 76% | 0.762 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -76.2 | -42 | -177.8 | -59.2 | -58.1 | -42.9 | 0 | 0 | 111.5 | L312 | L312-Q314 VanDerWaalsContact C-N 3.33Å; L312-Q314 PolarHBondContact O-N 2.72Å |
| 315 | N | 80.9 | Confident | 70.2 | Confident | 80 Ų | 80 | 64.1 Ų | 64.1 | 43% | 0.428 | 34% | 0.339 | S | S | . | . | trans | -134.2 | 78.8 | -178 | -74.7 | -40.9 | 0 | 0 | 0 | 110.2 | L312 V317 | L312-N315 CarbonylContact O-C 3.56Å; L312-N315 VanDerWaalsContact O-C 3.28Å; L312-N315 PolarHBondContact O-N 3.44Å; N315-V317 PolarHBondContact O-N 2.81Å; N315-V317 VanDerWaalsContact O-N 3.13Å | ||
| 316 | P | 71.5 | Confident | 67 | Low | 20 Ų | 20 | 70 Ų | 70 | 13% | 0.13 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -67.7 | -13 | -176.7 | 24.7 | -34.8 | 0 | 0 | 0 | 113.8 | V249 Y296 L312 | V249-P316 HydrophobicContact CG2-CB 4.24Å; Y296-P316 HydrophobicContact CD1-CB 3.92Å; Y296-P316 HydrophobicContact CD2-CB 4.28Å; Y296-P316 HydrophobicContact CE1-CB 4.07Å; Y296-P316 HydrophobicContact CE2-CB 4.39Å; Y296-P316 HydrophobicContact CG-CB 4.03Å; L312-P316 WeakPolarHBondContact O-CA 3.46Å; L312-P316 WeakPolarHBondContact O-CB 3.13Å; L312-P316 WeakPolarHBondContact O-CD 3.45Å |
| 317 | V | 76.1 | Confident | 63.8 | Low | 7 Ų | 7 | 77.8 Ų | 77.8 | 4% | 0.042 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -128 | 110.5 | 161.7 | 179 | 0 | 0 | 0 | 0 | 106 | R263 R272 Q273 N315 T319 | R263-V317 HydrophobicContact CB-CG2 3.56Å; R272-V317 HydrophobicContact CB-CG1 4.15Å; Q273-V317 VanDerWaalsContact C-CG1 3.41Å; N315-V317 PolarHBondContact O-N 2.81Å; N315-V317 VanDerWaalsContact O-N 3.13Å; V317-T319 PolarHBondContact O-N 3.02Å |
| 318 | V | 62.8 | Low | 60.7 | Low | 38 Ų | 38 | 82.4 Ų | 82.4 | 23% | 0.23 | 45% | 0.451 | C | S | . | . | trans | -79.5 | 98.7 | 177.8 | -177 | 0 | 0 | 0 | 0 | 107.9 | L261 G274 A275 I276 L312 | L261-V318 HydrophobicContact CD1-CG2 4.25Å; G274-V318 VanDerWaalsContact CA-O 3.32Å; G274-V318 WeakPolarHBondContact CA-O 3.46Å; A275-V318 PolarHBondContact N-O 2.91Å; I276-V318 HydrophobicContact CG2-CB 3.89Å; I276-V318 HydrophobicContact CG2-CG1 4.26Å; I276-V318 HydrophobicContact CG2-CG2 3.81Å; L312-V318 HydrophobicContact CD2-CG2 4.25Å | ||
| 319 | T | 53.1 | Low | 57.5 | Low | 59 Ų | 59 | 86 Ų | 86 | 36% | 0.362 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -80 | 124.5 | 162.4 | 52.1 | 0 | 0 | 0 | 0 | 107.2 | V317 E321 | V317-T319 PolarHBondContact O-N 3.02Å; T319-E321 PolarHBondContact O-N 3.4Å |
| 320 | V | 42.4 | Very low | 54.4 | Low | 94 Ų | 94 | 92.1 Ų | 92.1 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 116.3 | 167.1 | -179.5 | 0 | 0 | 0 | 0 | 106.7 | D322 | V320-D322 PolarHBondContact O-N 2.9Š|
| 321 | E | 34.2 | Very low | 51.3 | Low | 140 Ų | 140 | 97.6 Ų | 97.6 | 65% | 0.654 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 124 | -175.9 | -75.1 | -173.9 | 158.8 | 0 | 0 | 110.6 | T319 K323 | T319-E321 PolarHBondContact O-N 3.4Å; E321-K323 PolarHBondContact O-N 3.38Å |
| 322 | D | 31.7 | Very low | 48.3 | Very low | 142 Ų | 142 | 104 Ų | 104 | 76% | 0.759 | 58% | 0.584 | S | S | * | * | trans | -61.8 | 115.3 | 165.1 | -167.2 | 16.5 | 0 | 0 | 0 | 107.6 | V320 G324 | V320-D322 PolarHBondContact O-N 2.9Å; D322-G324 PolarHBondContact O-N 3.13Å | ||
| 323 | K | 31.3 | Very low | 45.4 | Very low | 207 Ų | 207 | 115.3 Ų | 115.3 | 90% | 0.9 | 63% | 0.626 | S | S | * | * | trans | -68 | 87.8 | 169.7 | -77.9 | -171.2 | 176.9 | -177.1 | 0 | 108.2 | E321 | E321-K323 PolarHBondContact O-N 3.38Š| ||
| 324 | G | 30.3 | Very low | 42.6 | Very low | 64 Ų | 64 | 124.8 Ų | 124.8 | 66% | 0.66 | 66% | 0.656 | S | S | * | * | trans | 28.5 | 106.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | D322 | D322-G324 PolarHBondContact O-N 3.13Š| ||
| 325 | K | 29.3 | Very low | 40 | Very low | 185 Ų | 185 | 128.3 Ų | 128.3 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | trans | -91 | 130.2 | 140.6 | -82.5 | 178.8 | 179.6 | 170.5 | 0 | 109 | Q327 | K325-Q327 PolarHBondContact O-N 2.89Š| ||
| 326 | P | 29.7 | Very low | 37.6 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | -61.2 | 131.3 | 174.2 | 23.5 | -29.8 | 0 | 0 | 0 | 109.6 | A328 | P326-A328 PolarHBondContact O-N 3.16Å; P326-A328 VanDerWaalsContact O-N 3.11Å | ||
| 327 | Q | 29.6 | Very low | 35.6 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 91% | 0.907 | 72% | 0.716 | S | S | * | * | trans | -57.2 | 115.4 | 172.9 | -80.9 | 178.5 | -6.5 | 0 | 0 | 109.3 | K325 A329 | K325-Q327 PolarHBondContact O-N 2.89Å; Q327-A329 PolarHBondContact O-N 2.6Å | ||
| 328 | A | 32.5 | Very low | 33.3 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | -68.7 | 124.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | P326 | P326-A328 PolarHBondContact O-N 3.16Å; P326-A328 VanDerWaalsContact O-N 3.11Å | ||
| 329 | A | 30.7 | Very low | 31.7 | Very low | 78 Ų | 78 | 151.6 Ų | 151.6 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | trans | -51.9 | 150.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q327 V331 | Q327-A329 PolarHBondContact O-N 2.6Å; A329-V331 PolarHBondContact O-N 2.9Å | ||
| 330 | P | 28.7 | Very low | 30.6 | Very low | 129 Ų | 129 | 153.1 Ų | 153.1 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -65.5 | 110.3 | -174.7 | 25.5 | -32.1 | 0 | 0 | 0 | 110.9 | H332 | P330-H332 PolarHBondContact O-N 2.79Š| ||
| 331 | V | 30.2 | Very low | 30 | Very low | 132 Ų | 132 | 158.7 Ų | 158.7 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | -71.5 | 116 | 170.3 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | A329 R333 | A329-V331 PolarHBondContact O-N 2.9Å; V331-R333 PolarHBondContact O-N 2.89Å | ||
| 332 | H | 30 | Very low | 29.7 | Very low | 182 Ų | 182 | 157 Ų | 157 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | -50.1 | 108 | 169.8 | -86.7 | -69.6 | 0 | 0 | 0 | 110.9 | P330 R334 | P330-H332 PolarHBondContact O-N 2.79Å; H332-R334 PolarHBondContact O-N 2.75Å | ||
| 333 | R | 29.5 | Very low | 29.5 | Very low | 247 Ų | 247 | 160 Ų | 160 | 93% | 0.932 | 84% | 0.838 | S | S | * | * | trans | -69.6 | 99.7 | 168.4 | -85.2 | -176.2 | 173 | 178.5 | -1 | 109.5 | V331 R335 | V331-R333 PolarHBondContact O-N 2.89Å; R333-R335 PolarHBondContact O-N 3.06Å | ||
| 334 | R | 28.4 | Very low | 29.3 | Very low | 236 Ų | 236 | 158.8 Ų | 158.8 | 89% | 0.891 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -63 | 126.7 | 158.8 | -83.6 | -179.9 | 159.6 | 179.1 | -5.1 | 109 | H332 | H332-R334 PolarHBondContact O-N 2.75Š|
| 335 | R | 26.4 | Very low | 29.1 | Very low | 237 Ų | 237 | 164.6 Ų | 164.6 | 89% | 0.894 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 135.4 | 170.3 | -72.8 | 179.2 | 172.2 | -178.5 | -2.7 | 110.2 | R333 | R333-R335 PolarHBondContact O-N 3.06Š|
| 336 | P | 31.6 | Very low | 29.1 | Very low | 125 Ų | 125 | 160.8 Ų | 160.8 | 81% | 0.812 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 130.2 | 157.7 | -0.7 | 20.5 | 0 | 0 | 0 | 110.1 | ||
| 337 | N | 28.5 | Very low | 28.9 | Very low | 162 Ų | 162 | 164 Ų | 164 | 87% | 0.866 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 147.4 | 172.6 | -81.9 | -25.3 | 0 | 0 | 0 | 112.1 | ||
| 338 | A | 28.1 | Very low | 28.8 | Very low | 101 Ų | 101 | 159.7 Ų | 159.7 | 84% | 0.835 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 137.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 339 | R | 30.5 | Very low | 28.5 | Very low | 247 Ų | 247 | 164.6 Ų | 164.6 | 93% | 0.932 | 86% | 0.858 | S | S | * | * | trans | -157.7 | 120.3 | 145.6 | -129.6 | 175.9 | -179.6 | -178.3 | -0.7 | 113.5 | ||||
| 340 | A | 29.6 | Very low | 28.8 | Very low | 90 Ų | 90 | 166 Ų | 166 | 74% | 0.744 | 86% | 0.861 | S | S | * | * | trans | 19.7 | 126.1 | 150.1 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 341 | K | 28.6 | Very low | 28.8 | Very low | 211 Ų | 211 | 168.5 Ų | 168.5 | 92% | 0.917 | 86% | 0.861 | S | S | * | * | trans | 29 | 125.7 | 131.1 | -71.5 | -179.1 | 176.2 | 176 | 0 | 120.6 | ||||
| 342 | A | 28.2 | Very low | 28.6 | Very low | 105 Ų | 105 | 171 Ų | 171 | 87% | 0.868 | 87% | 0.865 | S | S | * | * | -158 | 137.3 | 124.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 343 | K | 27.3 | Very low | 28.3 | Very low | 206 Ų | 206 | 166.2 Ų | 166.2 | 90% | 0.896 | 86% | 0.856 | S | S | * | * | trans | -78.7 | 146.8 | 172.2 | -77.9 | 175.2 | 170.4 | -179.6 | 0 | 110.1 | ||||
| 344 | L | 28.7 | Very low | 28.1 | Very low | 180 Ų | 180 | 163.6 Ų | 163.6 | 94% | 0.942 | 85% | 0.851 | S | S | * | * | trans | -161.1 | 130.9 | 138 | -107.7 | 147.4 | 0 | 0 | 0 | 110.6 | ||||
| 345 | Q | 25.1 | Very low | 28 | Very low | 186 Ų | 186 | 160.8 Ų | 160.8 | 87% | 0.869 | 85% | 0.848 | S | S | * | * | trans | -82.4 | 147.6 | 173.1 | -70 | 166.5 | -31.3 | 0 | 0 | 109.8 | ||||
| 346 | A | 29.1 | Very low | 27.9 | Very low | 105 Ų | 105 | 157.8 Ų | 157.8 | 87% | 0.868 | 85% | 0.845 | S | S | * | * | trans | -169.4 | 136.9 | 136.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 347 | Q | 25.8 | Very low | 27.7 | Very low | 193 Ų | 193 | 158.6 Ų | 158.6 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | trans | -78.5 | 153.5 | 174.7 | -67.6 | 163.5 | -33.2 | 0 | 0 | 111.4 | ||||
| 348 | A | 27.3 | Very low | 27.5 | Very low | 104 Ų | 104 | 160.7 Ų | 160.7 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | 147.9 | 129.1 | 129.5 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 349 | K | 25.4 | Very low | 27.4 | Very low | 200 Ų | 200 | 165.8 Ų | 165.8 | 87% | 0.87 | 85% | 0.852 | S | S | * | * | trans | -102.8 | -178.6 | 162.1 | -101.3 | -175.1 | 179.6 | -178.8 | 0 | 107.2 | ||||
| 350 | P | 38.7 | Very low | 27.1 | Very low | 108 Ų | 108 | 162.7 Ų | 162.7 | 70% | 0.701 | 85% | 0.848 | S | S | * | * | cis | -136.5 | 175.6 | -35.8 | 36.4 | -19.2 | 0 | 0 | 0 | 112.4 | ||||
| 351 | Q | 28.1 | Very low | 26.8 | Very low | 182 Ų | 182 | 170.2 Ų | 170.2 | 85% | 0.85 | 86% | 0.857 | S | S | * | * | trans | 175.7 | 113.9 | 147.4 | -98.9 | 162.6 | 17.4 | 0 | 0 | 108.3 | ||||
| 352 | Q | 24.8 | Very low | 26.6 | Very low | 185 Ų | 185 | 168.5 Ų | 168.5 | 86% | 0.864 | 85% | 0.852 | S | S | * | * | 81.8 | 119.3 | 86.8 | -98.8 | -171.4 | -3.2 | 0 | 0 | 116.1 | |||||
| 353 | A | 25.4 | Very low | 26.4 | Very low | 80 Ų | 80 | 172 Ų | 172 | 66% | 0.661 | 85% | 0.851 | S | S | * | * | trans | 87.4 | 121 | 137.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 354 | K | 24.8 | Very low | 26.3 | Very low | 192 Ų | 192 | 167.8 Ų | 167.8 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | 70.3 | 142.2 | 143.3 | -64 | 176 | 177.6 | -172.8 | 0 | 115.2 | ||||
| 355 | E | 26.3 | Very low | 26.1 | Very low | 178 Ų | 178 | 168.1 Ų | 168.1 | 83% | 0.832 | 84% | 0.839 | S | S | * | * | cis | -166.4 | 168.2 | 42.1 | -149.2 | 160.2 | -144.7 | 0 | 0 | 110 | ||||
| 356 | E | 25 | Very low | 26 | Very low | 174 Ų | 174 | 168.4 Ų | 168.4 | 81% | 0.813 | 84% | 0.84 | S | S | * | * | trans | -67.3 | 151.4 | -173.3 | -63.2 | 158.2 | 156.2 | 0 | 0 | 114.2 | ||||
| 357 | T | 26.3 | Very low | 25.7 | Very low | 141 Ų | 141 | 166.9 Ų | 166.9 | 87% | 0.865 | 83% | 0.834 | S | S | * | * | -169.3 | 115.6 | 118.6 | 10.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 358 | K | 24.8 | Very low | 25.6 | Very low | 207 Ų | 207 | 163.1 Ų | 163.1 | 90% | 0.9 | 83% | 0.83 | S | S | * | * | trans | -66.5 | 136 | 159.2 | -88.3 | 175.2 | 168.1 | 179.9 | 0 | 108.9 | ||||
| 359 | K | 26.6 | Very low | 25.5 | Very low | 208 Ų | 208 | 163 Ų | 163 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | trans | -128.5 | 123.6 | 153.7 | -101.8 | -175 | 177.7 | 179.7 | 0 | 109.1 | ||||
| 360 | E | 23.1 | Very low | 25.5 | Very low | 181 Ų | 181 | 159.5 Ų | 159.5 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -61.4 | 143.3 | 173.1 | -65.6 | 157.3 | 157.2 | 0 | 0 | 111 | ||||
| 361 | R | 24.1 | Very low | 24.8 | Very low | 249 Ų | 249 | 162.3 Ų | 162.3 | 94% | 0.94 | 83% | 0.827 | S | S | * | * | trans | -142.7 | 113.2 | 144.7 | -82.3 | -167.4 | 173.5 | 177.5 | -4.3 | 107.9 | ||||
| 362 | E | 23.6 | Very low | 24.7 | Very low | 174 Ų | 174 | 162.1 Ų | 162.1 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | -74.7 | 175 | 163.7 | -69.3 | -179.9 | 135.4 | 0 | 0 | 110.8 | ||||
| 363 | E | 23.5 | Very low | 24.7 | Very low | 178 Ų | 178 | 158.4 Ų | 158.4 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | 83.3 | 130 | 161.3 | -73.2 | -171.8 | -175.3 | 0 | 0 | 115.4 | ||||
| 364 | V | 25.4 | Very low | 24.8 | Very low | 119 Ų | 119 | 160.9 Ų | 160.9 | 72% | 0.721 | 83% | 0.829 | S | S | * | * | cis | -154.3 | 148 | 19.5 | 173 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 365 | E | 24.4 | Very low | 24.7 | Very low | 186 Ų | 186 | 155.1 Ų | 155.1 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | -67.8 | 130 | 163.5 | -70.4 | -179.5 | 140.5 | 0 | 0 | 112.5 | ||||
| 366 | E | 24.5 | Very low | 24.7 | Very low | 193 Ų | 193 | 153.5 Ų | 153.5 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -131.6 | 117.7 | 152 | -80.9 | -170.8 | 163.3 | 0 | 0 | 109.8 | ||||
| 367 | G | 22.2 | Very low | 24.9 | Very low | 72 Ų | 72 | 154.3 Ų | 154.3 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | trans | -87.3 | 161.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 368 | S | 23.4 | Very low | 25 | Very low | 115 Ų | 115 | 156.1 Ų | 156.1 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -175.4 | 141.5 | 139.9 | 41.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 369 | S | 24.7 | Very low | 25.2 | Very low | 101 Ų | 101 | 150.9 Ų | 150.9 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | trans | 49.3 | 105.3 | 153.7 | 55.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 370 | V | 26.4 | Very low | 25.6 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | 44.1 | 90.8 | 71.1 | -167.2 | 0 | 0 | 0 | 0 | 112.2 | Q372 | V370-Q372 HydrophobicContact CG1-CG 4.28Š| |||
| 371 | D | 24.4 | Very low | 26.5 | Very low | 166 Ų | 166 | 147 Ų | 147 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -123.5 | 112.3 | 155.2 | -137.8 | -4.6 | 0 | 0 | 0 | 107.4 | ||||
| 372 | Q | 25.4 | Very low | 28.4 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -93.9 | 118.4 | 176.3 | -74.2 | -178.5 | -13 | 0 | 0 | 107.9 | V370 | V370-Q372 HydrophobicContact CG1-CG 4.28Š| ||
| 373 | S | 25.1 | Very low | 31.1 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -124.2 | 137.4 | 157.5 | 55.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 374 | P | 26.8 | Very low | 34.3 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | trans | -71.3 | 139.6 | -156.2 | 27.7 | -33.2 | 0 | 0 | 0 | 112.4 | ||||
| 375 | G | 23.2 | Very low | 37.4 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | -66.8 | 136.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E377 | G375-E377 VanDerWaalsContact C-N 3.3Å; G375-E377 PolarHBondContact O-N 2.6Å | ||
| 376 | T | 24.9 | Very low | 40.6 | Very low | 144 Ų | 144 | 121.4 Ų | 121.4 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | trans | -73.6 | 87 | 148.1 | 42.2 | 0 | 0 | 0 | 0 | 108.4 | E378 | T376-E378 VanDerWaalsContact C-N 3.3Å; T376-E378 PolarHBondContact O-N 2.75Å | ||
| 377 | E | 30.9 | Very low | 43.9 | Very low | 190 Ų | 190 | 114 Ų | 114 | 89% | 0.888 | 69% | 0.692 | S | S | * | * | trans | -76.7 | 84.7 | 158 | -88 | -170.3 | 151.9 | 0 | 0 | 108.9 | G375 | G375-E377 VanDerWaalsContact C-N 3.3Å; G375-E377 PolarHBondContact O-N 2.6Å | ||
| 378 | E | 27.7 | Very low | 47.3 | Very low | 179 Ų | 179 | 110.6 Ų | 110.6 | 84% | 0.836 | 66% | 0.657 | S | S | * | * | trans | -117.2 | 76.1 | 151 | -80.2 | -165.8 | 151.6 | 0 | 0 | 107.8 | T376 L380 | T376-E378 VanDerWaalsContact C-N 3.3Å; T376-E378 PolarHBondContact O-N 2.75Å; E378-L380 PolarHBondContact O-N 3.35Å; E378-L380 VanDerWaalsContact O-N 3.13Å | ||
| 379 | A | 29 | Very low | 50.8 | Low | 98 Ų | 98 | 107.2 Ų | 107.2 | 81% | 0.81 | 63% | 0.633 | S | S | * | * | trans | -62 | 110.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | K381 | A379-K381 PolarHBondContact O-N 2.7Š| ||
| 380 | L | 34.4 | Very low | 54.1 | Low | 107 Ų | 107 | 103.5 Ų | 103.5 | 56% | 0.56 | 60% | 0.604 | S | S | * | * | trans | -53.2 | 131 | 179.2 | -89.1 | 97.5 | 0 | 0 | 0 | 111.4 | E378 S382 | E378-L380 PolarHBondContact O-N 3.35Å; E378-L380 VanDerWaalsContact O-N 3.13Å; L380-S382 VanDerWaalsContact C-N 3.32Å; L380-S382 PolarHBondContact O-N 3.07Å | ||
| 381 | K | 43.4 | Very low | 57.3 | Low | 199 Ų | 199 | 100.1 Ų | 100.1 | 87% | 0.865 | 60% | 0.595 | S | S | * | * | trans | -64.7 | 73.9 | 177.8 | -65.9 | 169.5 | 177.6 | 171 | 0 | 112.1 | A379 | A379-K381 PolarHBondContact O-N 2.7Š| ||
| 382 | S | 62.2 | Low | 60.6 | Low | 105 Ų | 105 | 96.8 Ų | 96.8 | 73% | 0.734 | 58% | 0.577 | S | S | * | * | trans | -105.6 | 34.5 | -169.8 | 74.3 | 0 | 0 | 0 | 0 | 115.5 | L380 | L380-S382 VanDerWaalsContact C-N 3.32Å; L380-S382 PolarHBondContact O-N 3.07Å | ||
| 383 | G | 80.8 | Confident | 64 | Low | 51 Ų | 51 | 93.2 Ų | 93.2 | 53% | 0.526 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -101.2 | 169.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 384 | P | 90.9 | Very high | 67.5 | Low | 51 Ų | 51 | 88.1 Ų | 88.1 | 33% | 0.331 | 52% | 0.523 | S | S | . | . | trans | -58.1 | 147.5 | 170 | 27.6 | -33.9 | 0 | 0 | 0 | 109.9 | A308 L309 W310 L386 | A308-P384 HydrophobicContact CB-CB 4.05Å; L309-P384 CarbonylContact O-C 3.56Å; L309-P384 WeakPolarHBondContact O-CA 3.38Å; L309-P384 WeakPolarHBondContact O-CB 3.49Å; W310-P384 HydrophobicContact CD2-CB 3.99Å; W310-P384 HydrophobicContact CE3-CB 4.04Å; W310-P384 HydrophobicContact CH2-CB 4.14Å; W310-P384 HydrophobicContact CH2-CG 4.19Å; W310-P384 HydrophobicContact CZ2-CB 4.05Å; W310-P384 HydrophobicContact CZ2-CG 4.36Å; W310-P384 HydrophobicContact CZ3-CB 4.13Å; W310-P384 HydrophobicContact CZ3-CG 4.41Å; P384-L386 VanDerWaalsContact C-N 3.3Å | ||
| 385 | K | 91.1 | Very high | 70.8 | Confident | 129 Ų | 129 | 83.2 Ų | 83.2 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -68 | -36.2 | 174.2 | -73.3 | -73.4 | -170 | 159.2 | 0 | 111.4 | W297 L309 D311 | W297-K385 HydrophobicContact CH2-CB 3.8Å; W297-K385 HydrophobicContact CH2-CG 3.7Å; W297-K385 HydrophobicContact CZ3-CB 3.88Å; W297-K385 HydrophobicContact CZ3-CG 3.99Å; L309-K385 PolarHBondContact O-N 3.25Å; D311-K385 HydrophobicContact CB-CD 4.13Å; D311-K385 HydrophobicContact CB-CG 3.54Å; D311-K385 WeakPolarHBondContact OD2-CE 3.22Å; D311-K385 IonicContact OD2-NZ 3.27Å; D311-K385 PolarHBondContact OD2-NZ 3.08Å |
| 386 | L | 91.8 | Very high | 74.4 | Confident | 33 Ų | 33 | 81.7 Ų | 81.7 | 17% | 0.173 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 138.2 | 175.2 | 176.2 | 66.6 | 0 | 0 | 0 | 108.4 | M35 A308 L309 P384 F388 L425 | M35-L386 HydrophobicContact CE-CD2 4.32Å; M35-L386 HydrophobicContact SD-CD2 3.97Å; A308-L386 CarbonylContact C-O 3.58Å; A308-L386 WeakPolarHBondContact CA-O 3.5Å; L309-L386 HydrophobicContact CB-CB 4.25Å; L309-L386 HydrophobicContact CD1-CB 4.49Å; L309-L386 HydrophobicContact CD1-CD2 4.14Å; L309-L386 PolarHBondContact N-O 2.79Å; L309-L386 PolarHBondContact O-N 3.13Å; P384-L386 VanDerWaalsContact C-N 3.3Å; L386-F388 HydrophobicContact CD2-CD1 4.04Å; L386-F388 HydrophobicContact CD2-CE1 4.16Å; L386-F388 HydrophobicContact CG-CD1 4.04Å; L386-L425 HydrophobicContact CD2-CD1 4.09Å |
| 387 | S | 93.4 | Very high | 77.9 | Confident | 39 Ų | 39 | 74.9 Ų | 74.9 | 27% | 0.273 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 138.4 | 167.7 | -178.9 | 0 | 0 | 0 | 0 | 109 | M306 V307 | M306-S387 WeakPolarHBondContact CE-OG 3.41Å; V307-S387 WeakPolarHBondContact O-CA 3.49Å; V307-S387 PolarHBondContact O-OG 2.64Å |
| 388 | F | 94.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 155.4 | -177.9 | 58.1 | -91.2 | 0 | 0 | 0 | 111.1 | V33 M35 V307 L386 L408 Y420 | V33-F388 WeakPolarHBondContact O-CA 3.28Å; V33-F388 WeakPolarHBondContact O-CB 3.11Å; M35-F388 HydrophobicContact CB-CB 3.97Å; M35-F388 HydrophobicContact CB-CD1 4.21Å; M35-F388 HydrophobicContact CB-CD2 3.97Å; M35-F388 HydrophobicContact CB-CE2 4.49Å; M35-F388 HydrophobicContact CB-CG 3.8Å; M35-F388 HydrophobicContact SD-CD1 3.84Å; M35-F388 HydrophobicContact SD-CE1 3.71Å; M35-F388 HydrophobicContact SD-CG 4.35Å; M35-F388 HydrophobicContact SD-CZ 4.1Å; V307-F388 HydrophobicContact CB-CD2 4.23Å; V307-F388 HydrophobicContact CB-CE1 4.07Å; V307-F388 HydrophobicContact CB-CE2 3.64Å; V307-F388 HydrophobicContact CB-CZ 3.56Å; V307-F388 HydrophobicContact CG1-CE1 3.88Å; V307-F388 HydrophobicContact CG1-CE2 4.1Å; V307-F388 HydrophobicContact CG1-CZ 3.48Å; V307-F388 VanDerWaalsContact CG1-CZ 3.48Å; V307-F388 HydrophobicContact CG2-CE2 4.13Å; V307-F388 HydrophobicContact CG2-CZ 4.33Å; V307-F388 PolarHBondContact N-O 3.49Å; V307-F388 PolarHBondContact O-N 3.45Å; L386-F388 HydrophobicContact CD2-CD1 4.04Å; L386-F388 HydrophobicContact CD2-CE1 4.16Å; L386-F388 HydrophobicContact CG-CD1 4.04Å; F388-L408 HydrophobicContact CZ-CD1 4.4Å; F388-Y420 HydrophobicContact CD2-CD1 4.19Å; F388-Y420 AromaticContact CD2-CE1 3.84Å; F388-Y420 HydrophobicContact CD2-CE1 3.84Å; F388-Y420 AromaticContact CE2-CD1 3.57Å; F388-Y420 HydrophobicContact CE2-CD1 3.57Å; F388-Y420 AromaticContact CE2-CD2 3.88Å; F388-Y420 HydrophobicContact CE2-CD2 3.88Å; F388-Y420 AromaticContact CE2-CE1 3.41Å; F388-Y420 HydrophobicContact CE2-CE1 3.41Å; F388-Y420 VanDerWaalsContact CE2-CE1 3.41Å; F388-Y420 AromaticContact CE2-CE2 3.77Å; F388-Y420 HydrophobicContact CE2-CE2 3.77Å; F388-Y420 AromaticContact CE2-CG 3.79Å; F388-Y420 HydrophobicContact CE2-CG 3.79Å; F388-Y420 AromaticContact CE2-CZ 3.54Å; F388-Y420 AromaticContact CZ-CD1 3.95Å; F388-Y420 HydrophobicContact CZ-CD1 3.95Å; F388-Y420 HydrophobicContact CZ-CD2 4.01Å; F388-Y420 HydrophobicContact CZ-CE1 4.25Å; F388-Y420 HydrophobicContact CZ-CE2 4.34Å; F388-Y420 AromaticContact CZ-CG 3.81Å; F388-Y420 HydrophobicContact CZ-CG 3.81Å |
| 389 | S | 95.4 | Very high | 84.3 | Confident | 43 Ų | 43 | 59 Ų | 59 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 124.6 | 175.8 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | M306 | M306-S389 VanDerWaalsContact SD-CA 3.55Å |
| 390 | H | 95.3 | Very high | 87.4 | Confident | 24 Ų | 24 | 55 Ų | 55 | 11% | 0.111 | 31% | 0.314 | C | S | . | . | trans | -84.8 | -33.7 | 169.9 | -177.6 | 17.1 | 0 | 0 | 0 | 111.5 | G305 V307 V410 D412 S418 Y420 | G305-H390 WeakPolarHBondContact O-CB 3.38Å; G305-H390 PolarHBondContact O-N 2.98Å; V307-H390 HydrophobicContact CG2-CB 4.28Å; H390-V410 WeakPolarHBondContact CD2-CG1 3.34Å; H390-V410 WeakPolarHBondContact NE2-CG1 3.26Å; H390-D412 IonicContact CE1-OD2 3.22Å; H390-D412 PolarHBondContact CE1-OD2 3.41Å; H390-D412 WeakPolarHBondContact NE2-CB 3.44Å; H390-D412 IonicContact NE2-OD2 2.88Å; H390-D412 PolarHBondContact NE2-OD2 2.69Å; H390-D412 VanDerWaalsContact NE2-OD2 3.13Å; H390-S418 PolarHBondContact CE1-OG 3.16Å; H390-Y420 PolarHBondContact ND1-OH 2.81Å | ||
| 391 | G | 91.8 | Very high | 90.2 | Very high | 56 Ų | 56 | 53.3 Ų | 53.3 | 58% | 0.577 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 113.9 | -47.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | G305 | G305-G391 PolarHBondContact O-N 2.85Š|
| 392 | D | 94.9 | Very high | 92.5 | Very high | 95 Ų | 95 | 44.5 Ų | 44.5 | 51% | 0.508 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -115.9 | 166 | 179.5 | -80 | -54.3 | 0 | 0 | 0 | 112.3 | G305 V394 D412 | G305-D392 WeakPolarHBondContact CA-O 3.32Å; D392-V394 PolarHBondContact O-N 3.47Å; D392-D412 HydrophobicContact CB-CB 4.02Å |
| 393 | K | 97.1 | Very high | 93.8 | Very high | 103 Ų | 103 | 47.5 Ų | 47.5 | 45% | 0.448 | 26% | 0.263 | S | S | . | . | trans | -54.9 | 127.6 | 178.6 | -63.5 | -176 | 179.2 | 177.7 | 0 | 110.2 | N395 D412 Q413 | K393-N395 PolarHBondContact O-N 2.92Å; K393-D412 VanDerWaalsContact O-CA 3.3Å; K393-D412 WeakPolarHBondContact O-CA 3.45Å; K393-D412 WeakPolarHBondContact O-CB 3.23Å; K393-Q413 HydrophobicContact CB-CG 4.16Å | ||
| 394 | V | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -78.6 | 114.1 | 179.9 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | S284 G302 V307 D392 V397 V410 | S284-V394 WeakPolarHBondContact CB-O 3.43Å; S284-V394 PolarHBondContact OG-O 3.23Å; G302-V394 PolarHBondContact O-N 3.1Å; V307-V394 HydrophobicContact CG2-CG2 3.83Å; D392-V394 PolarHBondContact O-N 3.47Å; V394-V397 HydrophobicContact CG1-CG2 3.46Å; V394-V397 VanDerWaalsContact CG1-CG2 3.46Å; V394-V410 HydrophobicContact CG1-CG1 3.8Å; V394-V410 HydrophobicContact CG2-CG1 4.25Å | ||
| 395 | N | 96.9 | Very high | 94.2 | Very high | 29 Ų | 29 | 50.2 Ų | 50.2 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | trans | -81.6 | -45.3 | 174.5 | -72.6 | -4.9 | 0 | 0 | 0 | 111 | V48 Q285 K393 A411 D412 Q413 | V48-N395 PolarHBondContact O-ND2 2.8Å; Q285-N395 WeakPolarHBondContact CG-O 3.38Å; Q285-N395 PolarHBondContact NE2-O 2.84Å; K393-N395 PolarHBondContact O-N 2.92Å; N395-A411 PolarHBondContact N-O 3.4Å; N395-D412 PolarHBondContact ND2-O 3.12Å; N395-Q413 PolarHBondContact ND2-NE2 3.26Å; N395-Q413 PolarHBondContact OD1-NE2 3.06Å | ||
| 396 | W | 98.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 45.6 Ų | 45.6 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 144.1 | -175.7 | -157 | -92.2 | 0 | 0 | 0 | 111.8 | L49 C50 V51 V410 A411 | L49-W396 VanDerWaalsContact O-CE3 3.31Å; C50-W396 HydrophobicContact CB-CD2 4.27Å; C50-W396 HydrophobicContact CB-CE3 4.1Å; C50-W396 HydrophobicContact CB-CH2 4.43Å; C50-W396 HydrophobicContact CB-CZ3 4.18Å; V51-W396 PolarHBondContact O-NE1 3.05Å; W396-V410 WeakPolarHBondContact O-CA 3.48Å; W396-A411 HydrophobicContact CB-CB 3.95Å; W396-A411 PolarHBondContact N-O 3Å; W396-A411 PolarHBondContact O-N 3.31Å |
| 397 | V | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 120.5 | 169.9 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | Q285 H287 A299 V394 L408 | Q285-V397 HydrophobicContact CB-CB 4.21Å; Q285-V397 HydrophobicContact CB-CG2 4Å; Q285-V397 HydrophobicContact CG-CG2 4.48Å; H287-V397 PolarHBondContact CD2-O 3.42Å; H287-V397 PolarHBondContact NE2-O 3.38Å; A299-V397 HydrophobicContact CB-CG1 3.96Å; V394-V397 HydrophobicContact CG1-CG2 3.46Å; V394-V397 VanDerWaalsContact CG1-CG2 3.46Å; V397-L408 HydrophobicContact CG1-CD2 4.13Å |
| 398 | C | 97.4 | Very high | 94.6 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 8% | 0.081 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 98 | 178.8 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | V51 V409 | V51-C398 HydrophobicContact CB-CB 3.87Å; V51-C398 HydrophobicContact CG1-CB 3.85Å; C398-V409 HydrophobicContact CB-CB 4.32Å; C398-V409 PolarHBondContact N-O 2.8Å; C398-V409 PolarHBondContact O-N 2.82Å |
| 399 | P | 95.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 130.2 | 169.8 | -13 | 27.9 | 0 | 0 | 0 | 110.9 | H287 L289 F291 A299 L408 | H287-P399 HydrophobicContact CB-CG 3.82Å; L289-P399 HydrophobicContact CD1-CB 4.29Å; L289-P399 HydrophobicContact CD1-CG 4.13Å; L289-P399 HydrophobicContact CD2-CB 4.05Å; L289-P399 HydrophobicContact CG-CB 3.64Å; L289-P399 HydrophobicContact CG-CG 4.02Å; F291-P399 HydrophobicContact CE1-CB 3.99Å; F291-P399 HydrophobicContact CZ-CB 3.81Å; A299-P399 HydrophobicContact CB-CG 4.32Å; P399-L408 HydrophobicContact CB-CD2 3.75Å; P399-L408 HydrophobicContact CG-CD2 3.84Å |
| 400 | T | 94.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 8% | 0.08 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 169.3 | -177.2 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | A53 L61 L402 S407 V409 | A53-T400 WeakPolarHBondContact CB-OG1 3.45Å; L61-T400 HydrophobicContact CD2-CG2 4.21Å; T400-L402 HydrophobicContact CG2-CD2 3.87Å; T400-L402 HydrophobicContact CG2-CG 3.92Å; T400-S407 PolarHBondContact N-O 2.76Å; T400-S407 PolarHBondContact O-N 3.27Å; T400-V409 HydrophobicContact CG2-CG2 3.98Å |
| 401 | L | 92.9 | Very high | 95 | Very high | 72 Ų | 72 | 39.2 Ų | 39.2 | 38% | 0.377 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 113.8 | 169.9 | -68 | 174.4 | 0 | 0 | 0 | 108.8 | F291 E405 P406 | F291-L401 HydrophobicContact CB-CD1 3.93Å; F291-L401 HydrophobicContact CB-CD2 4.02Å; F291-L401 HydrophobicContact CB-CG 4Å; F291-L401 HydrophobicContact CD1-CD2 4.47Å; F291-L401 HydrophobicContact CD1-CG 4.13Å; F291-L401 HydrophobicContact CD2-CD2 3.77Å; F291-L401 HydrophobicContact CD2-CG 4.32Å; F291-L401 HydrophobicContact CE2-CD2 4.38Å; F291-L401 HydrophobicContact CG-CD1 4.37Å; F291-L401 HydrophobicContact CG-CD2 3.83Å; F291-L401 HydrophobicContact CG-CG 3.89Å; L401-E405 WeakPolarHBondContact CA-O 3.39Å; L401-P406 HydrophobicContact CD2-CG 4.06Å |
| 402 | L | 92 | Very high | 95.3 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 7% | 0.068 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 116.2 | 172.5 | -61.8 | 179.2 | 0 | 0 | 0 | 108.2 | W40 L61 Q75 T400 G404 E405 V409 V419 | W40-L402 HydrophobicContact CH2-CD1 4.07Å; W40-L402 HydrophobicContact CH2-CD2 4.04Å; W40-L402 HydrophobicContact CZ2-CD1 3.94Å; L61-L402 HydrophobicContact CD1-CD2 3.56Å; L61-L402 HydrophobicContact CD2-CD2 4.39Å; Q75-L402 HydrophobicContact CB-CD2 4.34Å; T400-L402 HydrophobicContact CG2-CD2 3.87Å; T400-L402 HydrophobicContact CG2-CG 3.92Å; L402-G404 PolarHBondContact O-N 3Å; L402-E405 PolarHBondContact N-O 3.31Å; L402-E405 WeakPolarHBondContact O-CB 3.32Å; L402-E405 PolarHBondContact O-N 2.94Å; L402-V409 HydrophobicContact CD1-CG2 4.32Å; L402-V419 HydrophobicContact CD1-CG1 3.38Å |
| 403 | R | 89.6 | Confident | 95.3 | Very high | 169 Ų | 169 | 37.1 Ų | 37.1 | 64% | 0.638 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 33.3 | -174.4 | -62.4 | 175.6 | 163.3 | -168.6 | -10 | 113.4 | Q75 E76 E405 | Q75-R403 HydrophobicContact CB-CG 4.06Å; E76-R403 VanDerWaalsContact CG-CZ 3.48Å; E76-R403 IonicContact OE1-CZ 3.37Å; E76-R403 IonicContact OE1-NE 3.72Å; E76-R403 PolarHBondContact OE1-NE 2.83Å; E76-R403 IonicContact OE1-NH2 3.99Å; E76-R403 PolarHBondContact OE1-NH2 2.85Å; R403-E405 PolarHBondContact O-N 2.99Å |
| 404 | G | 88.3 | Confident | 95.3 | Very high | 59 Ų | 59 | 33.4 Ų | 33.4 | 61% | 0.608 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -0.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L402 | L402-G404 PolarHBondContact O-N 3Š|
| 405 | E | 91.2 | Very high | 95.3 | Very high | 100 Ų | 100 | 35.2 Ų | 35.2 | 47% | 0.467 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.7 | 175.9 | -63.8 | -171.1 | 170.8 | 0 | 0 | 111.5 | L401 L402 R403 S407 | L401-E405 WeakPolarHBondContact CA-O 3.39Å; L402-E405 PolarHBondContact N-O 3.31Å; L402-E405 WeakPolarHBondContact O-CB 3.32Å; L402-E405 PolarHBondContact O-N 2.94Å; R403-E405 PolarHBondContact O-N 2.99Å; E405-S407 PolarHBondContact O-N 2.92Å; E405-S407 PolarHBondContact O-OG 3.4Å |
| 406 | P | 93.4 | Very high | 95.3 | Very high | 31 Ų | 31 | 35.7 Ų | 35.7 | 20% | 0.201 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.9 | 124.1 | 169 | -31.2 | 39.4 | 0 | 0 | 0 | 111.8 | F291 L292 L401 L422 | F291-P406 HydrophobicContact CD2-CB 4.15Å; F291-P406 HydrophobicContact CD2-CG 4.27Å; F291-P406 HydrophobicContact CE2-CB 3.83Å; F291-P406 HydrophobicContact CE2-CG 4.44Å; L292-P406 HydrophobicContact CD2-CB 4.09Å; L292-P406 HydrophobicContact CD2-CG 4.07Å; L401-P406 HydrophobicContact CD2-CG 4.06Å; P406-L422 HydrophobicContact CB-CB 3.88Å; P406-L422 WeakPolarHBondContact O-CA 3.37Å; P406-L422 WeakPolarHBondContact O-CB 3.08Å; P406-L422 PolarHBondContact O-N 2.9Å |
| 407 | S | 94.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 154.6 | -178.1 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | T400 E405 Y420 | T400-S407 PolarHBondContact N-O 2.76Å; T400-S407 PolarHBondContact O-N 3.27Å; E405-S407 PolarHBondContact O-N 2.92Å; E405-S407 PolarHBondContact O-OG 3.4Å; S407-Y420 CarbonylContact C-O 3.56Å; S407-Y420 VanDerWaalsContact CA-O 3.3Å; S407-Y420 WeakPolarHBondContact CA-O 3.03Å |
| 408 | L | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123.5 | 166.7 | -64.6 | 175.6 | 0 | 0 | 0 | 109 | L289 A299 V307 L309 F388 V397 P399 V410 V419 Y420 L422 | L289-L408 HydrophobicContact CD2-CD2 4.31Å; A299-L408 HydrophobicContact CB-CD1 4.43Å; A299-L408 HydrophobicContact CB-CD2 3.9Å; V307-L408 HydrophobicContact CG1-CD1 4.03Å; L309-L408 HydrophobicContact CD1-CD1 4.47Å; L309-L408 HydrophobicContact CD2-CD1 4.01Å; L309-L408 HydrophobicContact CG-CD1 4.31Å; F388-L408 HydrophobicContact CZ-CD1 4.4Å; V397-L408 HydrophobicContact CG1-CD2 4.13Å; P399-L408 HydrophobicContact CB-CD2 3.75Å; P399-L408 HydrophobicContact CG-CD2 3.84Å; L408-V410 HydrophobicContact CB-CG2 4.36Å; L408-V419 WeakPolarHBondContact O-CA 3.31Å; L408-Y420 PolarHBondContact N-O 3.49Å; L408-Y420 PolarHBondContact O-N 3.38Å; L408-L422 HydrophobicContact CD1-CD1 4.25Å; L408-L422 HydrophobicContact CD1-CD2 3.99Å; L408-L422 HydrophobicContact CD1-CG 4.5Å; L408-L422 HydrophobicContact CD2-CD1 4.17Å; L408-L422 HydrophobicContact CG-CD1 3.79Å; L408-L422 HydrophobicContact CG-CD2 4.05Å; L408-L422 HydrophobicContact CG-CG 4.06Å |
| 409 | V | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.6 | 166.1 | -175.5 | 0 | 0 | 0 | 0 | 107.6 | V51 L61 C398 T400 L402 L417 S418 V419 | V51-V409 HydrophobicContact CG1-CG1 4.17Å; L61-V409 HydrophobicContact CD2-CB 4.41Å; L61-V409 HydrophobicContact CD2-CG2 3.71Å; C398-V409 HydrophobicContact CB-CB 4.32Å; C398-V409 PolarHBondContact N-O 2.8Å; C398-V409 PolarHBondContact O-N 2.82Å; T400-V409 HydrophobicContact CG2-CG2 3.98Å; L402-V409 HydrophobicContact CD1-CG2 4.32Å; V409-L417 HydrophobicContact CG1-CB 4.03Å; V409-L417 HydrophobicContact CG1-CD1 4.13Å; V409-L417 HydrophobicContact CG1-CD2 4.21Å; V409-L417 HydrophobicContact CG1-CG 4.37Å; V409-S418 CarbonylContact C-O 3.47Å; V409-S418 WeakPolarHBondContact CA-O 3.24Å; V409-V419 HydrophobicContact CG1-CG2 4.35Å; V409-V419 HydrophobicContact CG2-CG1 4.48Å; V409-V419 HydrophobicContact CG2-CG2 4.02Å |
| 410 | V | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 130.1 | -174.8 | -173.3 | 0 | 0 | 0 | 0 | 108.3 | V307 H390 V394 W396 L408 S418 Y420 | V307-V410 HydrophobicContact CG2-CG1 4.3Å; V307-V410 HydrophobicContact CG2-CG2 4.32Å; H390-V410 WeakPolarHBondContact CD2-CG1 3.34Å; H390-V410 WeakPolarHBondContact NE2-CG1 3.26Å; V394-V410 HydrophobicContact CG1-CG1 3.8Å; V394-V410 HydrophobicContact CG2-CG1 4.25Å; W396-V410 WeakPolarHBondContact O-CA 3.48Å; L408-V410 HydrophobicContact CB-CG2 4.36Å; V410-S418 PolarHBondContact N-O 3.29Å; V410-S418 PolarHBondContact O-N 3.47Å; V410-Y420 HydrophobicContact CB-CD2 4.49Å; V410-Y420 HydrophobicContact CB-CE2 4.07Å; V410-Y420 HydrophobicContact CG2-CD2 3.79Å; V410-Y420 HydrophobicContact CG2-CE2 3.76Å |
| 411 | A | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 141.5 | 170 | 0 | 0 | 0 | 0 | 0 | 109.1 | V48 V51 N395 W396 L417 | V48-A411 HydrophobicContact CB-CB 3.89Å; V48-A411 HydrophobicContact CG1-CB 3.88Å; V51-A411 HydrophobicContact CG2-CB 4.21Å; N395-A411 PolarHBondContact N-O 3.4Å; W396-A411 HydrophobicContact CB-CB 3.95Å; W396-A411 PolarHBondContact N-O 3Å; W396-A411 PolarHBondContact O-N 3.31Å; A411-L417 HydrophobicContact CB-CD2 3.86Å |
| 412 | D | 96.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | trans | -126.8 | -161.7 | 176.7 | 57.6 | 24.2 | 0 | 0 | 0 | 109.9 | H390 D392 K393 N395 S414 | H390-D412 IonicContact CE1-OD2 3.22Å; H390-D412 PolarHBondContact CE1-OD2 3.41Å; H390-D412 WeakPolarHBondContact NE2-CB 3.44Å; H390-D412 IonicContact NE2-OD2 2.88Å; H390-D412 PolarHBondContact NE2-OD2 2.69Å; H390-D412 VanDerWaalsContact NE2-OD2 3.13Å; D392-D412 HydrophobicContact CB-CB 4.02Å; K393-D412 VanDerWaalsContact O-CA 3.3Å; K393-D412 WeakPolarHBondContact O-CA 3.45Å; K393-D412 WeakPolarHBondContact O-CB 3.23Å; N395-D412 PolarHBondContact ND2-O 3.12Å; D412-S414 PolarHBondContact O-N 3.44Å; D412-S414 VanDerWaalsContact O-N 3.12Å; D412-S414 WeakPolarHBondContact OD1-CA 3.45Å; D412-S414 WeakPolarHBondContact OD1-CB 3.44Å; D412-S414 PolarHBondContact OD1-N 2.71Å; D412-S414 PolarHBondContact OD1-OG 2.78Å | ||
| 413 | Q | 95.6 | Very high | 94.8 | Very high | 99 Ų | 99 | 33.4 Ų | 33.4 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -72.2 | 5.8 | 178.5 | -61.4 | -74.8 | -54.2 | 0 | 0 | 113.4 | P47 K393 N395 | P47-Q413 WeakPolarHBondContact CG-O 3.49Å; K393-Q413 HydrophobicContact CB-CG 4.16Å; N395-Q413 PolarHBondContact ND2-NE2 3.26Å; N395-Q413 PolarHBondContact OD1-NE2 3.06Å |
| 414 | S | 97.1 | Very high | 94.1 | Very high | 25 Ų | 25 | 29.5 Ų | 29.5 | 18% | 0.175 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -100.8 | 163.6 | 177.1 | 85.8 | 0 | 0 | 0 | 0 | 111.6 | P47 V48 D412 N416 | P47-S414 WeakPolarHBondContact CA-O 3.2Å; V48-S414 PolarHBondContact N-O 3.35Å; D412-S414 PolarHBondContact O-N 3.44Å; D412-S414 VanDerWaalsContact O-N 3.12Å; D412-S414 WeakPolarHBondContact OD1-CA 3.45Å; D412-S414 WeakPolarHBondContact OD1-CB 3.44Å; D412-S414 PolarHBondContact OD1-N 2.71Å; D412-S414 PolarHBondContact OD1-OG 2.78Å; S414-N416 PolarHBondContact O-N 2.68Å; S414-N416 PolarHBondContact OG-N 3.15Å |
| 415 | P | 97.5 | Very high | 93.2 | Very high | 38 Ų | 38 | 31.8 Ų | 31.8 | 25% | 0.247 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -75.2 | 6.5 | 173.8 | 31.9 | -36.8 | 0 | 0 | 0 | 114 | H44 T46 | H44-P415 HydrophobicContact CB-CB 4.1Å; H44-P415 WeakPolarHBondContact O-CB 3.49Å; T46-P415 VanDerWaalsContact O-CA 3.24Å; T46-P415 WeakPolarHBondContact O-CA 3.26Å; T46-P415 VanDerWaalsContact O-CB 3.32Å; T46-P415 WeakPolarHBondContact O-CB 3.25Å |
| 416 | N | 97.5 | Very high | 93.3 | Very high | 39 Ų | 39 | 28.4 Ų | 28.4 | 21% | 0.209 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -109 | 159.1 | -173.1 | -53.8 | -57.9 | 0 | 0 | 0 | 111.8 | W40 C41 S414 | W40-N416 WeakPolarHBondContact O-CA 3.39Å; C41-N416 WeakPolarHBondContact CA-OD1 3.41Å; C41-N416 WeakPolarHBondContact CB-OD1 3.28Å; C41-N416 PolarHBondContact SG-OD1 3.39Å; S414-N416 PolarHBondContact O-N 2.68Å; S414-N416 PolarHBondContact OG-N 3.15Å |
| 417 | L | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.5 | 170.1 | -62.2 | 174.4 | 0 | 0 | 0 | 110.4 | Q39 W40 V48 V51 W73 V409 A411 | Q39-L417 CarbonylContact C-O 3.55Å; Q39-L417 WeakPolarHBondContact CA-O 3.43Å; W40-L417 HydrophobicContact CB-CB 4.19Å; W40-L417 HydrophobicContact CE3-CD1 4.19Å; W40-L417 PolarHBondContact N-O 3.29Å; W40-L417 PolarHBondContact O-N 2.7Å; V48-L417 HydrophobicContact CB-CD2 4.3Å; V48-L417 HydrophobicContact CG1-CD2 3.89Å; V48-L417 HydrophobicContact CG2-CD2 4.36Å; V51-L417 HydrophobicContact CG2-CD2 3.57Å; W73-L417 HydrophobicContact CZ2-CD1 4.08Å; V409-L417 HydrophobicContact CG1-CB 4.03Å; V409-L417 HydrophobicContact CG1-CD1 4.13Å; V409-L417 HydrophobicContact CG1-CD2 4.21Å; V409-L417 HydrophobicContact CG1-CG 4.37Å; A411-L417 HydrophobicContact CB-CD2 3.86Å |
| 418 | S | 98 | Very high | 93.2 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.2 | 171.5 | -71.5 | 0 | 0 | 0 | 0 | 110.9 | Q39 H390 V409 V410 | Q39-S418 PolarHBondContact NE2-OG 2.82Å; H390-S418 PolarHBondContact CE1-OG 3.16Å; V409-S418 CarbonylContact C-O 3.47Å; V409-S418 WeakPolarHBondContact CA-O 3.24Å; V410-S418 PolarHBondContact N-O 3.29Å; V410-S418 PolarHBondContact O-N 3.47Å |
| 419 | V | 97.5 | Very high | 93 | Very high | 10 Ų | 10 | 31.2 Ų | 31.2 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.2 | 178.3 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | S37 R38 W40 L402 L408 V409 | S37-V419 CarbonylContact C-O 3.58Å; S37-V419 VanDerWaalsContact CA-O 3.29Å; S37-V419 WeakPolarHBondContact CA-O 3.33Å; R38-V419 HydrophobicContact CB-CB 4.42Å; R38-V419 PolarHBondContact N-O 2.88Å; R38-V419 PolarHBondContact O-N 2.95Å; W40-V419 HydrophobicContact CD2-CG2 3.7Å; W40-V419 VanDerWaalsContact CE2-CG2 3.41Å; W40-V419 HydrophobicContact CE3-CG2 4.27Å; W40-V419 HydrophobicContact CG-CG2 4.15Å; W40-V419 HydrophobicContact CH2-CG2 4.35Å; W40-V419 HydrophobicContact CZ2-CG2 3.79Å; L402-V419 HydrophobicContact CD1-CG1 3.38Å; L408-V419 WeakPolarHBondContact O-CA 3.31Å; V409-V419 HydrophobicContact CG1-CG2 4.35Å; V409-V419 HydrophobicContact CG2-CG1 4.48Å; V409-V419 HydrophobicContact CG2-CG2 4.02Å |
| 420 | Y | 96.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122 | 176.8 | -58.2 | -89 | 0 | 0 | 0 | 109.6 | M35 F388 H390 S407 L408 V410 | M35-Y420 HydrophobicContact CB-CD1 3.83Å; M35-Y420 HydrophobicContact CB-CE1 4.14Å; M35-Y420 HydrophobicContact CG-CD1 3.89Å; M35-Y420 HydrophobicContact SD-CD1 4.01Å; M35-Y420 HydrophobicContact SD-CG 4.39Å; F388-Y420 HydrophobicContact CD2-CD1 4.19Å; F388-Y420 AromaticContact CD2-CE1 3.84Å; F388-Y420 HydrophobicContact CD2-CE1 3.84Å; F388-Y420 AromaticContact CE2-CD1 3.57Å; F388-Y420 HydrophobicContact CE2-CD1 3.57Å; F388-Y420 AromaticContact CE2-CD2 3.88Å; F388-Y420 HydrophobicContact CE2-CD2 3.88Å; F388-Y420 AromaticContact CE2-CE1 3.41Å; F388-Y420 HydrophobicContact CE2-CE1 3.41Å; F388-Y420 VanDerWaalsContact CE2-CE1 3.41Å; F388-Y420 AromaticContact CE2-CE2 3.77Å; F388-Y420 HydrophobicContact CE2-CE2 3.77Å; F388-Y420 AromaticContact CE2-CG 3.79Å; F388-Y420 HydrophobicContact CE2-CG 3.79Å; F388-Y420 AromaticContact CE2-CZ 3.54Å; F388-Y420 AromaticContact CZ-CD1 3.95Å; F388-Y420 HydrophobicContact CZ-CD1 3.95Å; F388-Y420 HydrophobicContact CZ-CD2 4.01Å; F388-Y420 HydrophobicContact CZ-CE1 4.25Å; F388-Y420 HydrophobicContact CZ-CE2 4.34Å; F388-Y420 AromaticContact CZ-CG 3.81Å; F388-Y420 HydrophobicContact CZ-CG 3.81Å; H390-Y420 PolarHBondContact ND1-OH 2.81Å; S407-Y420 CarbonylContact C-O 3.56Å; S407-Y420 VanDerWaalsContact CA-O 3.3Å; S407-Y420 WeakPolarHBondContact CA-O 3.03Å; L408-Y420 PolarHBondContact N-O 3.49Å; L408-Y420 PolarHBondContact O-N 3.38Å; V410-Y420 HydrophobicContact CB-CD2 4.49Å; V410-Y420 HydrophobicContact CB-CE2 4.07Å; V410-Y420 HydrophobicContact CG2-CD2 3.79Å; V410-Y420 HydrophobicContact CG2-CE2 3.76Å |
| 421 | S | 93.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 35.4 Ų | 35.4 | 33% | 0.329 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 125.4 | 175.2 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | M35 A423 | M35-S421 WeakPolarHBondContact CE-O 3.35Å; S421-A423 VanDerWaalsContact C-N 3.26Å; S421-A423 WeakPolarHBondContact OG-CB 3.34Å; S421-A423 PolarHBondContact OG-N 2.84Å |
| 422 | L | 91 | Very high | 91.8 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | trans | -91.6 | 14.9 | 173.8 | -55.9 | -172.1 | 0 | 0 | 0 | 112.3 | M35 L289 L309 P406 L408 G424 L425 | M35-L422 HydrophobicContact CE-CD2 4.26Å; L289-L422 HydrophobicContact CD2-CD1 3.71Å; L309-L422 HydrophobicContact CD1-CD1 3.74Å; L309-L422 HydrophobicContact CD1-CD2 3.6Å; L309-L422 HydrophobicContact CD1-CG 4.26Å; L309-L422 HydrophobicContact CD2-CD1 4.42Å; P406-L422 HydrophobicContact CB-CB 3.88Å; P406-L422 WeakPolarHBondContact O-CA 3.37Å; P406-L422 WeakPolarHBondContact O-CB 3.08Å; P406-L422 PolarHBondContact O-N 2.9Å; L408-L422 HydrophobicContact CD1-CD1 4.25Å; L408-L422 HydrophobicContact CD1-CD2 3.99Å; L408-L422 HydrophobicContact CD1-CG 4.5Å; L408-L422 HydrophobicContact CD2-CD1 4.17Å; L408-L422 HydrophobicContact CG-CD1 3.79Å; L408-L422 HydrophobicContact CG-CD2 4.05Å; L408-L422 HydrophobicContact CG-CG 4.06Å; L422-G424 PolarHBondContact O-N 3.21Å; L422-L425 HydrophobicContact CB-CD1 3.99Å; L422-L425 HydrophobicContact CD2-CD1 4Å; L422-L425 HydrophobicContact CG-CD1 4.43Å; L422-L425 PolarHBondContact O-N 3.25Å | ||
| 423 | A | 84.4 | Confident | 91.5 | Very high | 61 Ų | 61 | 40.2 Ų | 40.2 | 50% | 0.504 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 126.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S421 | S421-A423 VanDerWaalsContact C-N 3.26Å; S421-A423 WeakPolarHBondContact OG-CB 3.34Å; S421-A423 PolarHBondContact OG-N 2.84Å |
| 424 | G | 73.5 | Confident | 91.1 | Very high | 88 Ų | 88 | 35.3 Ų | 35.3 | 91% | 0.907 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.1 | -0.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L422 | L422-G424 PolarHBondContact O-N 3.21Š|
| 425 | L | 69 | Low | 90.6 | Very high | 106 Ų | 106 | 36.3 Ų | 36.3 | 56% | 0.555 | 26% | 0.26 | S | S | * | . | trans | -79.6 | 0 | 166.3 | -86.2 | 159.4 | 0 | 0 | 0 | 113.3 | W297 L309 L386 L422 | W297-L425 HydrophobicContact CH2-CD2 4.16Å; L309-L425 HydrophobicContact CD1-CD1 3.51Å; L386-L425 HydrophobicContact CD2-CD1 4.09Å; L422-L425 HydrophobicContact CB-CD1 3.99Å; L422-L425 HydrophobicContact CD2-CD1 4Å; L422-L425 HydrophobicContact CG-CD1 4.43Å; L422-L425 PolarHBondContact O-N 3.25Å |
Retrieved 425 of 425 residues in 243.2 ms
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