| 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 | 37.9 | Very low | 40 | Very low | 242 Ų | 242 | 127.3 Ų | 127.3 | 100% | 1.192 | 72% | 0.721 | S | S | * | * | 0 | 88.1 | 0 | -75.4 | 159.4 | 164 | 0 | 0 | 106.4 | |||||
| 2 | S | 35.8 | Very low | 40.1 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | trans | -80.2 | 115.7 | -174.5 | 41.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | H | 36.6 | Very low | 40 | Very low | 178 Ų | 178 | 116.8 Ų | 116.8 | 82% | 0.824 | 66% | 0.661 | S | S | * | * | trans | -71.9 | 121.2 | 168.4 | -90.8 | -95.9 | 0 | 0 | 0 | 109.3 | ||||
| 4 | D | 36.2 | Very low | 40.4 | Very low | 168 Ų | 168 | 113.1 Ų | 113.1 | 90% | 0.898 | 63% | 0.634 | S | S | * | * | trans | -96.9 | 114.3 | 159.1 | -114.9 | -21.8 | 0 | 0 | 0 | 106.9 | ||||
| 5 | T | 39.3 | Very low | 40.6 | Very low | 114 Ų | 114 | 112.5 Ų | 112.5 | 70% | 0.699 | 63% | 0.634 | S | S | * | * | trans | -109.1 | 124.2 | 167.6 | 43.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 6 | P | 42 | Very low | 41.1 | Very low | 125 Ų | 125 | 107.2 Ų | 107.2 | 81% | 0.812 | 61% | 0.605 | S | S | * | * | trans | -72.6 | 140.8 | -177.5 | 30 | -31.9 | 0 | 0 | 0 | 110.6 | ||||
| 7 | A | 43.7 | Very low | 41 | Very low | 90 Ų | 90 | 103.8 Ų | 103.8 | 74% | 0.744 | 60% | 0.6 | S | S | * | * | trans | -54.8 | 136.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D9 | A7-D9 PolarHBondContact O-N 3.17Š| ||
| 8 | E | 42.8 | Very low | 41.1 | Very low | 179 Ų | 179 | 102.8 Ų | 102.8 | 84% | 0.836 | 59% | 0.592 | S | S | * | * | trans | -65.4 | 101.4 | 177.7 | -63.5 | -170.1 | 141.6 | 0 | 0 | 111 | S10 | E8-S10 PolarHBondContact O-N 3.02Š| ||
| 9 | D | 41.7 | Very low | 41.2 | Very low | 116 Ų | 116 | 103.1 Ų | 103.1 | 62% | 0.62 | 60% | 0.6 | S | S | * | * | trans | -71.7 | 94.5 | 171.3 | -85.5 | -33.5 | 0 | 0 | 0 | 110.3 | A7 V11 | A7-D9 PolarHBondContact O-N 3.17Å; D9-V11 PolarHBondContact O-N 3.35Å | ||
| 10 | S | 41 | Very low | 41.4 | Very low | 55 Ų | 55 | 99.7 Ų | 99.7 | 39% | 0.385 | 59% | 0.585 | S | S | . | * | trans | -67.3 | 122.2 | 176.3 | -78 | 0 | 0 | 0 | 0 | 112.7 | E8 L272 | E8-S10 PolarHBondContact O-N 3.02Å; S10-L272 WeakPolarHBondContact OG-CD2 3.47Å | ||
| 11 | V | 42.8 | Very low | 41.8 | Very low | 8 Ų | 8 | 96.9 Ų | 96.9 | 5% | 0.048 | 57% | 0.569 | C | S | . | * | trans | -83.1 | 130.2 | 163.8 | 174.3 | 0 | 0 | 0 | 0 | 108.1 | D9 L272 L273 F306 | D9-V11 PolarHBondContact O-N 3.35Å; V11-L272 VanDerWaalsContact O-CA 3.3Å; V11-L272 WeakPolarHBondContact O-CA 3.45Å; V11-L272 WeakPolarHBondContact O-CD2 3.3Å; V11-L273 HydrophobicContact CB-CB 4.12Å; V11-L273 WeakPolarHBondContact CB-O 3.45Å; V11-L273 HydrophobicContact CG1-CB 3.8Å; V11-L273 HydrophobicContact CG1-CD1 4.2Å; V11-L273 HydrophobicContact CG1-CG 4.34Å; V11-L273 WeakPolarHBondContact CG2-O 3.49Å; V11-F306 WeakPolarHBondContact CG1-O 3.3Å; V11-F306 HydrophobicContact CG2-CB 4.19Å | ||
| 12 | I | 41.7 | Very low | 42.2 | Very low | 90 Ų | 90 | 91.7 Ų | 91.7 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | trans | -107.6 | 121.6 | 178.5 | -59.8 | 171.6 | 0 | 0 | 0 | 109 | F14 | I12-F14 HydrophobicContact CG2-CD1 4.35Š| ||
| 13 | S | 38.7 | Very low | 42.6 | Very low | 28 Ų | 28 | 88.4 Ų | 88.4 | 20% | 0.196 | 52% | 0.522 | C | S | . | . | trans | -87.8 | 139.7 | 164.8 | 126.7 | 0 | 0 | 0 | 0 | 110.1 | N271 | S13-N271 PolarHBondContact N-O 2.86Å; S13-N271 PolarHBondContact O-OD1 2.84Å | ||
| 14 | F | 45.4 | Very low | 43 | Very low | 65 Ų | 65 | 81.5 Ų | 81.5 | 29% | 0.285 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.3 | 164.8 | 46.8 | -103.9 | 0 | 0 | 0 | 109.8 | I12 T16 I24 V307 | I12-F14 HydrophobicContact CG2-CD1 4.35Å; F14-T16 HydrophobicContact CD2-CG2 3.61Å; F14-T16 HydrophobicContact CE2-CG2 4.25Å; F14-T16 HydrophobicContact CG-CG2 4.46Å; F14-I24 HydrophobicContact CD2-CD1 4.07Å; F14-I24 HydrophobicContact CE2-CD1 3.28Å; F14-I24 HydrophobicContact CE2-CG1 4.37Å; F14-I24 HydrophobicContact CZ-CD1 3.84Å; F14-I24 HydrophobicContact CZ-CG2 4.49Å; F14-V307 HydrophobicContact CE1-CG1 3.64Å; F14-V307 HydrophobicContact CZ-CG1 3.63Å |
| 15 | V | 43.2 | Very low | 43.7 | Very low | 105 Ų | 105 | 75.8 Ų | 75.8 | 64% | 0.636 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 121.7 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | Y312 | V15-Y312 HydrophobicContact CG1-CD2 4.36Å; V15-Y312 HydrophobicContact CG1-CE2 4.32Å |
| 16 | T | 48.4 | Very low | 44.3 | Very low | 27 Ų | 27 | 74 Ų | 74 | 17% | 0.166 | 45% | 0.453 | C | S | . | . | trans | -130.3 | 139.2 | -177.5 | 52 | 0 | 0 | 0 | 0 | 111.7 | F14 A20 I24 | F14-T16 HydrophobicContact CD2-CG2 3.61Å; F14-T16 HydrophobicContact CE2-CG2 4.25Å; F14-T16 HydrophobicContact CG-CG2 4.46Å; T16-A20 HydrophobicContact CG2-CB 3.79Å; T16-I24 HydrophobicContact CG2-CD1 3.95Å | ||
| 17 | G | 39.1 | Very low | 44.4 | Very low | 50 Ų | 50 | 74.6 Ų | 74.6 | 52% | 0.515 | 45% | 0.445 | S | S | . | . | trans | -75.1 | 167.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S19 A20 V21 | G17-S19 PolarHBondContact O-N 2.86Å; G17-A20 PolarHBondContact O-N 3.41Å; G17-V21 PolarHBondContact O-N 3.39Å | ||
| 18 | N | 43.4 | Very low | 44.5 | Very low | 86 Ų | 86 | 72.4 Ų | 72.4 | 46% | 0.46 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -47.2 | -35.4 | -171.5 | -69.2 | 6.2 | 0 | 0 | 0 | 115.6 | V21 H22 | N18-V21 PolarHBondContact O-N 3.37Å; N18-H22 PolarHBondContact O-N 2.88Å |
| 19 | S | 42.2 | Very low | 45 | Very low | 107 Ų | 107 | 71.9 Ų | 71.9 | 75% | 0.748 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.6 | -38.7 | 178.8 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | G17 A23 | G17-S19 PolarHBondContact O-N 2.86Å; S19-A23 PolarHBondContact O-N 2.95Å |
| 20 | A | 46.5 | Very low | 45.2 | Very low | 36 Ų | 36 | 70.8 Ų | 70.8 | 30% | 0.298 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -77.3 | -25.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T16 G17 A23 I24 | T16-A20 HydrophobicContact CG2-CB 3.79Å; G17-A20 PolarHBondContact O-N 3.41Å; A20-A23 PolarHBondContact O-N 3.37Å; A20-I24 WeakPolarHBondContact O-CB 3.49Å; A20-I24 VanDerWaalsContact O-CD1 3.24Å; A20-I24 WeakPolarHBondContact O-CD1 3.33Å; A20-I24 WeakPolarHBondContact O-CG1 3.36Å; A20-I24 PolarHBondContact O-N 2.94Å |
| 21 | V | 49.6 | Very low | 45.2 | Very low | 41 Ų | 41 | 70.1 Ų | 70.1 | 25% | 0.248 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 172.7 | 179 | 0 | 0 | 0 | 0 | 111.8 | G17 N18 I24 A25 L311 | G17-V21 PolarHBondContact O-N 3.39Å; N18-V21 PolarHBondContact O-N 3.37Å; V21-I24 PolarHBondContact O-N 3.11Å; V21-A25 WeakPolarHBondContact O-CB 3.4Å; V21-A25 PolarHBondContact O-N 3.43Å; V21-L311 HydrophobicContact CG2-CD1 4Å |
| 22 | H | 47.2 | Very low | 45.3 | Very low | 132 Ų | 132 | 78.8 Ų | 78.8 | 61% | 0.611 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.2 | -46.5 | 172.6 | -90.3 | -74.2 | 0 | 0 | 0 | 111.3 | N18 I24 A25 D26 | N18-H22 PolarHBondContact O-N 2.88Å; H22-I24 VanDerWaalsContact C-N 3.32Å; H22-I24 PolarHBondContact O-N 3.05Å; H22-A25 PolarHBondContact O-N 3.05Å; H22-D26 VanDerWaalsContact O-CB 3.3Å; H22-D26 WeakPolarHBondContact O-CB 3.34Å; H22-D26 PolarHBondContact O-N 3.39Å |
| 23 | A | 42.6 | Very low | 45.4 | Very low | 56 Ų | 56 | 80.6 Ų | 80.6 | 46% | 0.463 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S19 A20 Q27 | S19-A23 PolarHBondContact O-N 2.95Å; A20-A23 PolarHBondContact O-N 3.37Å; A23-Q27 WeakPolarHBondContact O-CB 3.34Å; A23-Q27 PolarHBondContact O-N 2.96Å |
| 24 | I | 45.9 | Very low | 45.2 | Very low | 33 Ų | 33 | 87.9 Ų | 87.9 | 17% | 0.169 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -73.5 | -40.4 | 176.9 | -66.9 | 156.8 | 0 | 0 | 0 | 110.9 | F14 T16 A20 V21 H22 D26 Q27 L28 | F14-I24 HydrophobicContact CD2-CD1 4.07Å; F14-I24 HydrophobicContact CE2-CD1 3.28Å; F14-I24 HydrophobicContact CE2-CG1 4.37Å; F14-I24 HydrophobicContact CZ-CD1 3.84Å; F14-I24 HydrophobicContact CZ-CG2 4.49Å; T16-I24 HydrophobicContact CG2-CD1 3.95Å; A20-I24 WeakPolarHBondContact O-CB 3.49Å; A20-I24 VanDerWaalsContact O-CD1 3.24Å; A20-I24 WeakPolarHBondContact O-CD1 3.33Å; A20-I24 WeakPolarHBondContact O-CG1 3.36Å; A20-I24 PolarHBondContact O-N 2.94Å; V21-I24 PolarHBondContact O-N 3.11Å; H22-I24 VanDerWaalsContact C-N 3.32Å; H22-I24 PolarHBondContact O-N 3.05Å; I24-D26 VanDerWaalsContact C-N 3.34Å; I24-Q27 PolarHBondContact O-N 3.47Å; I24-L28 HydrophobicContact CG2-CD1 3.85Å; I24-L28 HydrophobicContact CG2-CG 4.2Å; I24-L28 VanDerWaalsContact O-CB 3.25Å; I24-L28 WeakPolarHBondContact O-CB 3.38Å; I24-L28 WeakPolarHBondContact O-CG 3.36Å; I24-L28 PolarHBondContact O-N 3.49Å |
| 25 | A | 50.9 | Low | 44.8 | Very low | 48 Ų | 48 | 91.2 Ų | 91.2 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V21 H22 L28 R29 | V21-A25 WeakPolarHBondContact O-CB 3.4Å; V21-A25 PolarHBondContact O-N 3.43Å; H22-A25 PolarHBondContact O-N 3.05Å; A25-L28 PolarHBondContact O-N 3.37Å; A25-R29 WeakPolarHBondContact O-CB 3.4Å; A25-R29 PolarHBondContact O-N 2.89Å |
| 26 | D | 52.1 | Low | 44.4 | Very low | 78 Ų | 78 | 91.2 Ų | 91.2 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.6 | -44.8 | 175.6 | -68.4 | -22.2 | 0 | 0 | 0 | 110.4 | H22 I24 L28 R29 D30 | H22-D26 VanDerWaalsContact O-CB 3.3Å; H22-D26 WeakPolarHBondContact O-CB 3.34Å; H22-D26 PolarHBondContact O-N 3.39Å; I24-D26 VanDerWaalsContact C-N 3.34Å; D26-L28 VanDerWaalsContact C-N 3.33Å; D26-L28 PolarHBondContact O-N 3.14Å; D26-R29 CarbonylContact O-C 3.52Å; D26-R29 PolarHBondContact O-N 3.49Å; D26-R29 VanDerWaalsContact O-N 3.09Å; D26-D30 WeakPolarHBondContact O-CB 3.3Å; D26-D30 PolarHBondContact O-N 3.07Å |
| 27 | Q | 43.8 | Very low | 43.8 | Very low | 136 Ų | 136 | 92.2 Ų | 92.2 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -38.1 | 175.9 | -168.9 | 167.3 | 28.8 | 0 | 0 | 112.1 | A23 I24 S31 | A23-Q27 WeakPolarHBondContact O-CB 3.34Å; A23-Q27 PolarHBondContact O-N 2.96Å; I24-Q27 PolarHBondContact O-N 3.47Å; Q27-S31 VanDerWaalsContact O-CB 3.26Å; Q27-S31 WeakPolarHBondContact O-CB 3.15Å; Q27-S31 PolarHBondContact O-N 3.34Å; Q27-S31 PolarHBondContact O-OG 3.37Å |
| 28 | L | 44.7 | Very low | 43.5 | Very low | 44 Ų | 44 | 93.1 Ų | 93.1 | 23% | 0.23 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -72.2 | -31.6 | 173.8 | -71.2 | 174.8 | 0 | 0 | 0 | 112.3 | I24 A25 D26 R32 Y302 | I24-L28 HydrophobicContact CG2-CD1 3.85Å; I24-L28 HydrophobicContact CG2-CG 4.2Å; I24-L28 VanDerWaalsContact O-CB 3.25Å; I24-L28 WeakPolarHBondContact O-CB 3.38Å; I24-L28 WeakPolarHBondContact O-CG 3.36Å; I24-L28 PolarHBondContact O-N 3.49Å; A25-L28 PolarHBondContact O-N 3.37Å; D26-L28 VanDerWaalsContact C-N 3.33Å; D26-L28 PolarHBondContact O-N 3.14Å; L28-R32 WeakPolarHBondContact O-CG 3.38Å; L28-R32 PolarHBondContact O-N 3.24Å; L28-Y302 HydrophobicContact CD2-CD2 3.78Å; L28-Y302 HydrophobicContact CD2-CG 4.44Å |
| 29 | R | 53.6 | Low | 43 | Very low | 169 Ų | 169 | 97.4 Ų | 97.4 | 64% | 0.638 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.9 | -44.8 | 175.5 | -165.8 | 177.2 | -166 | 176.6 | 2.1 | 111.1 | A25 D26 S31 R32 L33 | A25-R29 WeakPolarHBondContact O-CB 3.4Å; A25-R29 PolarHBondContact O-N 2.89Å; D26-R29 CarbonylContact O-C 3.52Å; D26-R29 PolarHBondContact O-N 3.49Å; D26-R29 VanDerWaalsContact O-N 3.09Å; R29-S31 VanDerWaalsContact C-N 3.3Å; R29-S31 PolarHBondContact O-N 3.48Å; R29-R32 WeakPolarHBondContact O-CA 3.17Å; R29-R32 WeakPolarHBondContact O-CB 3.16Å; R29-R32 PolarHBondContact O-N 3.36Å; R29-L33 HydrophobicContact CG-CD1 4.5Å; R29-L33 WeakPolarHBondContact O-CG 3.29Å; R29-L33 PolarHBondContact O-N 2.98Å; R29-L33 VanDerWaalsContact O-N 3.08Å |
| 30 | D | 46.3 | Very low | 42.4 | Very low | 92 Ų | 92 | 98.4 Ų | 98.4 | 49% | 0.492 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 174.6 | -74.6 | -13.6 | 0 | 0 | 0 | 111.4 | D26 R32 L33 Y34 | D26-D30 WeakPolarHBondContact O-CB 3.3Å; D26-D30 PolarHBondContact O-N 3.07Å; D30-R32 PolarHBondContact O-N 2.88Å; D30-L33 CarbonylContact O-C 3.55Å; D30-L33 PolarHBondContact O-N 3.32Å; D30-L33 VanDerWaalsContact O-N 3.08Å; D30-Y34 PolarHBondContact O-N 3.1Å |
| 31 | S | 41.3 | Very low | 41.6 | Very low | 42 Ų | 42 | 102.5 Ų | 102.5 | 29% | 0.294 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.7 | -24.1 | 172.1 | -59.5 | 0 | 0 | 0 | 0 | 113.5 | Q27 R29 | Q27-S31 VanDerWaalsContact O-CB 3.26Å; Q27-S31 WeakPolarHBondContact O-CB 3.15Å; Q27-S31 PolarHBondContact O-N 3.34Å; Q27-S31 PolarHBondContact O-OG 3.37Å; R29-S31 VanDerWaalsContact C-N 3.3Å; R29-S31 PolarHBondContact O-N 3.48Å |
| 32 | R | 45 | Very low | 40.5 | Very low | 190 Ų | 190 | 108.3 Ų | 108.3 | 72% | 0.717 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -84.3 | -19.8 | 171.5 | -70.9 | 175.4 | -169 | 175.5 | 3.9 | 112.4 | L28 R29 D30 | L28-R32 WeakPolarHBondContact O-CG 3.38Å; L28-R32 PolarHBondContact O-N 3.24Å; R29-R32 WeakPolarHBondContact O-CA 3.17Å; R29-R32 WeakPolarHBondContact O-CB 3.16Å; R29-R32 PolarHBondContact O-N 3.36Å; D30-R32 PolarHBondContact O-N 2.88Å |
| 33 | L | 43.9 | Very low | 39.6 | Very low | 128 Ų | 128 | 110.7 Ų | 110.7 | 67% | 0.67 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -92.2 | -20 | 177.4 | -67.2 | 170.9 | 0 | 0 | 0 | 112.5 | R29 D30 | R29-L33 HydrophobicContact CG-CD1 4.5Å; R29-L33 WeakPolarHBondContact O-CG 3.29Å; R29-L33 PolarHBondContact O-N 2.98Å; R29-L33 VanDerWaalsContact O-N 3.08Å; D30-L33 CarbonylContact O-C 3.55Å; D30-L33 PolarHBondContact O-N 3.32Å; D30-L33 VanDerWaalsContact O-N 3.08Å |
| 34 | Y | 33.7 | Very low | 39.3 | Very low | 180 Ų | 180 | 114.2 Ų | 114.2 | 71% | 0.706 | 61% | 0.606 | S | S | * | * | trans | -107.5 | 63.2 | 169.1 | -80.6 | -87.5 | 0 | 0 | 0 | 111.5 | D30 S36 | D30-Y34 PolarHBondContact O-N 3.1Å; Y34-S36 VanDerWaalsContact C-N 3.27Å; Y34-S36 PolarHBondContact O-N 3.49Å | ||
| 35 | D | 37.7 | Very low | 38.7 | Very low | 135 Ų | 135 | 115.7 Ų | 115.7 | 72% | 0.722 | 63% | 0.629 | S | S | * | * | trans | -89.2 | 75.5 | 149.4 | -166.4 | 16.7 | 0 | 0 | 0 | 108.3 | G37 | D35-G37 PolarHBondContact O-N 3.46Å; D35-G37 WeakPolarHBondContact OD1-CA 3.41Å; D35-G37 PolarHBondContact OD1-N 3.27Å; D35-G37 VanDerWaalsContact OD1-N 3.12Å | ||
| 36 | S | 34.2 | Very low | 37.6 | Very low | 106 Ų | 106 | 116.5 Ų | 116.5 | 74% | 0.741 | 64% | 0.643 | S | S | * | * | trans | -76.5 | 44.9 | 160.2 | -45.8 | 0 | 0 | 0 | 0 | 109.4 | Y34 G38 | Y34-S36 VanDerWaalsContact C-N 3.27Å; Y34-S36 PolarHBondContact O-N 3.49Å; S36-G38 PolarHBondContact O-N 3.18Å | ||
| 37 | G | 36.4 | Very low | 36.8 | Very low | 48 Ų | 48 | 119.2 Ų | 119.2 | 50% | 0.495 | 66% | 0.664 | S | S | . | * | trans | -82.8 | 100.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | D35 K39 | D35-G37 PolarHBondContact O-N 3.46Å; D35-G37 WeakPolarHBondContact OD1-CA 3.41Å; D35-G37 PolarHBondContact OD1-N 3.27Å; D35-G37 VanDerWaalsContact OD1-N 3.12Å; G37-K39 PolarHBondContact O-N 2.78Å | ||
| 38 | G | 32 | Very low | 36.2 | Very low | 69 Ų | 69 | 115.9 Ų | 115.9 | 71% | 0.711 | 67% | 0.666 | S | S | * | * | trans | -43.6 | 130.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S36 | S36-G38 PolarHBondContact O-N 3.18Š| ||
| 39 | K | 32.9 | Very low | 35.7 | Very low | 176 Ų | 176 | 122.5 Ų | 122.5 | 77% | 0.765 | 70% | 0.701 | S | S | * | * | trans | -39.8 | 130.5 | 159.3 | -87.3 | 177.9 | 170 | 178.4 | 0 | 108.8 | G37 N41 | G37-K39 PolarHBondContact O-N 2.78Å; K39-N41 PolarHBondContact O-N 2.83Å | ||
| 40 | P | 29.8 | Very low | 34.7 | Very low | 128 Ų | 128 | 118.1 Ų | 118.1 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | trans | -63.1 | 91.6 | 151.8 | 27.4 | -29.6 | 0 | 0 | 0 | 106.6 | L42 | P40-L42 VanDerWaalsContact C-N 3.33Å; P40-L42 PolarHBondContact O-N 3.43Å | ||
| 41 | N | 29 | Very low | 34.1 | Very low | 121 Ų | 121 | 121.9 Ų | 121.9 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | trans | -64.8 | 100.5 | 163.2 | -77 | -21.4 | 0 | 0 | 0 | 105.8 | K39 F43 | K39-N41 PolarHBondContact O-N 2.83Å; N41-F43 PolarHBondContact O-N 2.78Å | ||
| 42 | L | 28.3 | Very low | 33.9 | Very low | 164 Ų | 164 | 127.5 Ų | 127.5 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | -70.4 | 86.5 | 164.5 | -154.9 | 82.8 | 0 | 0 | 0 | 106.8 | P40 V44 | P40-L42 VanDerWaalsContact C-N 3.33Å; P40-L42 PolarHBondContact O-N 3.43Å; L42-V44 PolarHBondContact O-N 2.99Å | ||
| 43 | F | 27.7 | Very low | 33.5 | Very low | 181 Ų | 181 | 126.1 Ų | 126.1 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | -88.1 | 95.3 | 177.5 | -147.2 | -92.2 | 0 | 0 | 0 | 107.5 | N41 G45 | N41-F43 PolarHBondContact O-N 2.78Å; F43-G45 PolarHBondContact O-N 2.86Å | ||
| 44 | V | 36.5 | Very low | 33.2 | Very low | 130 Ų | 130 | 125 Ų | 125 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | trans | -90.9 | 96.1 | 167.6 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | L42 | L42-V44 PolarHBondContact O-N 2.99Š| ||
| 45 | G | 32.9 | Very low | 33.3 | Very low | 65 Ų | 65 | 126.2 Ų | 126.2 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | trans | 40.5 | 110.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | F43 | F43-G45 PolarHBondContact O-N 2.86Š| ||
| 46 | G | 28 | Very low | 33.2 | Very low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | -73.8 | -162 | 154.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 47 | P | 36 | Very low | 33.3 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | cis | -135.2 | 171.4 | 13.5 | 40.3 | -22.6 | 0 | 0 | 0 | 115.7 | ||||
| 48 | G | 30.8 | Very low | 33.6 | Very low | 66 Ų | 66 | 136.3 Ų | 136.3 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | 105.1 | 107.3 | 136.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 49 | L | 32.7 | Very low | 34.6 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | 40 | 115.8 | 129 | -58.4 | 172.6 | 0 | 0 | 0 | 118.4 | |||||
| 50 | G | 33.1 | Very low | 36 | Very low | 78 Ų | 78 | 135.1 Ų | 135.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 161.2 | 84.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D52 | G50-D52 PolarHBondContact O-N 2.79Š| ||
| 51 | L | 35.1 | Very low | 38.3 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -60.3 | 112.9 | 153.6 | -73.2 | 159.3 | 0 | 0 | 0 | 106.6 | ||||
| 52 | D | 36.3 | Very low | 41.1 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -168.1 | 144.5 | 142.6 | -94.4 | -27 | 0 | 0 | 0 | 111.9 | G50 | G50-D52 PolarHBondContact O-N 2.79Š| ||
| 53 | I | 37.4 | Very low | 44.1 | Very low | 162 Ų | 162 | 124.9 Ų | 124.9 | 83% | 0.831 | 73% | 0.733 | S | S | * | * | trans | -70.8 | 126.5 | -171.2 | -67.6 | 152 | 0 | 0 | 0 | 110.3 | ||||
| 54 | S | 36.7 | Very low | 47.2 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | -160.4 | 109 | 159.6 | -60.3 | 0 | 0 | 0 | 0 | 109.6 | E56 | S54-E56 VanDerWaalsContact C-N 3.31Å; S54-E56 PolarHBondContact O-N 2.85Å | ||
| 55 | E | 36.6 | Very low | 50 | Low | 206 Ų | 206 | 114.1 Ų | 114.1 | 96% | 0.963 | 68% | 0.684 | S | S | * | * | trans | -66.4 | 88.8 | 162.5 | -74.8 | -174 | 135.5 | 0 | 0 | 108.9 | ||||
| 56 | E | 34 | Very low | 53 | Low | 172 Ų | 172 | 115.7 Ų | 115.7 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -149.3 | 100.1 | 172.5 | -154.5 | 159.9 | -179.8 | 0 | 0 | 111.6 | S54 | S54-E56 VanDerWaalsContact C-N 3.31Å; S54-E56 PolarHBondContact O-N 2.85Å | ||
| 57 | N | 36.7 | Very low | 56.3 | Low | 152 Ų | 152 | 112.8 Ų | 112.8 | 81% | 0.813 | 65% | 0.649 | S | S | * | * | trans | 52.3 | 69.3 | 152.5 | -139.2 | 19.5 | 0 | 0 | 0 | 117.3 | ||||
| 58 | Q | 42.2 | Very low | 59.2 | Low | 176 Ų | 176 | 111.3 Ų | 111.3 | 82% | 0.822 | 63% | 0.629 | S | S | * | * | trans | -62.1 | 130.4 | 158.9 | -76 | -158.1 | 2.2 | 0 | 0 | 108.8 | V60 | Q58-V60 PolarHBondContact O-N 2.86Š| ||
| 59 | P | 54.4 | Low | 62.3 | Low | 118 Ų | 118 | 109 Ų | 109 | 77% | 0.766 | 60% | 0.6 | S | S | * | * | trans | -58.7 | 117.9 | 175.2 | 24.5 | -31.7 | 0 | 0 | 0 | 107.8 | Q61 | P59-Q61 PolarHBondContact O-N 3.31Š| ||
| 60 | V | 62.4 | Low | 65.2 | Low | 102 Ų | 102 | 103.6 Ų | 103.6 | 62% | 0.618 | 57% | 0.572 | S | S | * | * | trans | -58.9 | 105.2 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 107.3 | Q58 S62 P107 | Q58-V60 PolarHBondContact O-N 2.86Å; V60-S62 PolarHBondContact O-N 2.79Å; V60-S62 PolarHBondContact O-OG 3.22Å; V60-P107 HydrophobicContact CG1-CB 3.54Å; V60-P107 HydrophobicContact CG1-CG 3.77Å | ||
| 61 | Q | 77.6 | Confident | 68 | Low | 131 Ų | 131 | 102.5 Ų | 102.5 | 61% | 0.612 | 56% | 0.561 | S | S | * | * | trans | -62.2 | 106.3 | -178.1 | -173 | 174.4 | -0.5 | 0 | 0 | 107.8 | P59 V63 | P59-Q61 PolarHBondContact O-N 3.31Å; Q61-V63 HydrophobicContact CG-CG1 4.4Å | ||
| 62 | S | 88.9 | Confident | 70.7 | Confident | 57 Ų | 57 | 95.1 Ų | 95.1 | 40% | 0.399 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 144.3 | 175.1 | -58.6 | 0 | 0 | 0 | 0 | 108.4 | V60 L106 | V60-S62 PolarHBondContact O-N 2.79Å; V60-S62 PolarHBondContact O-OG 3.22Å; S62-L106 CarbonylContact C-O 3.53Å; S62-L106 VanDerWaalsContact CA-O 3.26Å; S62-L106 WeakPolarHBondContact CA-O 3.3Å |
| 63 | V | 90.2 | Very high | 73.3 | Confident | 11 Ų | 11 | 88.8 Ų | 88.8 | 7% | 0.067 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 141.2 | -170.3 | -68.4 | 0 | 0 | 0 | 0 | 110.4 | Q61 T65 D105 L106 L108 V143 F148 | Q61-V63 HydrophobicContact CG-CG1 4.4Å; V63-T65 PolarHBondContact O-N 2.82Å; V63-T65 VanDerWaalsContact O-N 3.11Å; V63-T65 PolarHBondContact O-OG1 3.46Å; V63-D105 WeakPolarHBondContact O-CA 3.32Å; V63-L106 WeakPolarHBondContact CG2-O 3.4Å; V63-L106 PolarHBondContact N-O 3.14Å; V63-L106 PolarHBondContact O-N 3.34Å; V63-L108 HydrophobicContact CG2-CD2 4.09Å; V63-V143 HydrophobicContact CG2-CG1 3.28Å; V63-F148 HydrophobicContact CB-CD1 4.04Å; V63-F148 HydrophobicContact CB-CD2 3.94Å; V63-F148 HydrophobicContact CB-CE1 3.57Å; V63-F148 HydrophobicContact CB-CE2 3.48Å; V63-F148 VanDerWaalsContact CB-CE2 3.48Å; V63-F148 HydrophobicContact CB-CG 4.22Å; V63-F148 HydrophobicContact CB-CZ 3.29Å; V63-F148 HydrophobicContact CG1-CD1 4.46Å; V63-F148 HydrophobicContact CG1-CD2 4.03Å; V63-F148 HydrophobicContact CG1-CE1 4.45Å; V63-F148 HydrophobicContact CG1-CE2 4.05Å; V63-F148 HydrophobicContact CG1-CG 4.27Å; V63-F148 HydrophobicContact CG1-CZ 4.27Å; V63-F148 HydrophobicContact CG2-CD2 3.97Å; V63-F148 HydrophobicContact CG2-CE1 4.04Å; V63-F148 HydrophobicContact CG2-CE2 3.16Å; V63-F148 HydrophobicContact CG2-CZ 3.21Å |
| 64 | P | 93.9 | Very high | 75.9 | Confident | 73 Ų | 73 | 89.3 Ų | 89.3 | 47% | 0.474 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 111.9 | -171.8 | 25.8 | -34 | 0 | 0 | 0 | 110.8 | I103 D105 F148 | P64-I103 HydrophobicContact CB-CG2 3.82Å; P64-D105 VanDerWaalsContact CA-OD1 3.31Å; P64-D105 WeakPolarHBondContact CA-OD1 3.31Å; P64-F148 HydrophobicContact CG-CE1 4.14Å; P64-F148 WeakPolarHBondContact O-CE1 3.5Å |
| 65 | T | 95.1 | Very high | 78.7 | Confident | 12 Ų | 12 | 88.8 Ų | 88.8 | 7% | 0.074 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.3 | -177.2 | -54.8 | 0 | 0 | 0 | 0 | 110.3 | V63 F67 I103 I104 L106 I141 V143 | V63-T65 PolarHBondContact O-N 2.82Å; V63-T65 VanDerWaalsContact O-N 3.11Å; V63-T65 PolarHBondContact O-OG1 3.46Å; T65-F67 HydrophobicContact CG2-CE2 3.9Å; T65-F67 HydrophobicContact CG2-CZ 4.13Å; T65-I103 WeakPolarHBondContact O-CA 3.44Å; T65-I104 WeakPolarHBondContact CB-O 3.38Å; T65-I104 PolarHBondContact N-O 2.97Å; T65-I104 PolarHBondContact O-N 2.93Å; T65-L106 HydrophobicContact CG2-CD1 4.08Å; T65-I141 HydrophobicContact CG2-CD1 3.61Å; T65-V143 HydrophobicContact CG2-CG2 4.33Å |
| 66 | V | 95.8 | Very high | 81.6 | Confident | 97 Ų | 97 | 79.2 Ų | 79.2 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 125.8 | -178.2 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | I103 | V66-I103 HydrophobicContact CG2-CG1 4.3Å |
| 67 | F | 97 | Very high | 84.6 | Confident | 4 Ų | 4 | 73.4 Ų | 73.4 | 2% | 0.018 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.6 | 169.1 | -68.8 | -87.9 | 0 | 0 | 0 | 109.7 | T65 I78 F82 Y101 T102 I104 L106 Y113 I141 | T65-F67 HydrophobicContact CG2-CE2 3.9Å; T65-F67 HydrophobicContact CG2-CZ 4.13Å; F67-I78 HydrophobicContact CB-CD1 3.69Å; F67-I78 HydrophobicContact CD1-CD1 3.38Å; F67-I78 HydrophobicContact CD2-CD1 4.16Å; F67-I78 HydrophobicContact CE1-CD1 4.02Å; F67-I78 HydrophobicContact CG-CD1 3.45Å; F67-I78 VanDerWaalsContact CG-CD1 3.45Å; F67-F82 HydrophobicContact CZ-CE1 4.26Å; F67-Y101 CarbonylContact O-C 3.56Å; F67-Y101 WeakPolarHBondContact O-CA 3.46Å; F67-T102 HydrophobicContact CB-CG2 4.09Å; F67-T102 PolarHBondContact N-O 3.38Å; F67-T102 PolarHBondContact O-N 3.24Å; F67-I104 HydrophobicContact CD2-CB 4.33Å; F67-I104 HydrophobicContact CD2-CD1 3.97Å; F67-I104 HydrophobicContact CD2-CG1 4.19Å; F67-I104 HydrophobicContact CE2-CB 4.15Å; F67-I104 HydrophobicContact CE2-CD1 4.15Å; F67-I104 HydrophobicContact CE2-CG1 4.42Å; F67-L106 HydrophobicContact CE2-CD1 3.74Å; F67-L106 HydrophobicContact CZ-CD1 3.63Å; F67-Y113 HydrophobicContact CD1-CD1 4.36Å; F67-Y113 AromaticContact CD1-CD2 3.92Å; F67-Y113 HydrophobicContact CD1-CD2 3.92Å; F67-Y113 HydrophobicContact CD1-CE1 4.33Å; F67-Y113 AromaticContact CD1-CE2 3.87Å; F67-Y113 HydrophobicContact CD1-CE2 3.87Å; F67-Y113 HydrophobicContact CD1-CG 4.15Å; F67-Y113 AromaticContact CE1-CD1 3.64Å; F67-Y113 HydrophobicContact CE1-CD1 3.64Å; F67-Y113 AromaticContact CE1-CD2 3.98Å; F67-Y113 HydrophobicContact CE1-CD2 3.98Å; F67-Y113 AromaticContact CE1-CE1 3.79Å; F67-Y113 HydrophobicContact CE1-CE1 3.79Å; F67-Y113 HydrophobicContact CE1-CE2 4.11Å; F67-Y113 AromaticContact CE1-CG 3.73Å; F67-Y113 HydrophobicContact CE1-CG 3.73Å; F67-I141 HydrophobicContact CE1-CG2 4.05Å; F67-I141 HydrophobicContact CZ-CG2 3.99Å |
| 68 | K | 96.1 | Very high | 87.6 | Confident | 103 Ų | 103 | 66.2 Ų | 66.2 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.4 | -176.5 | -174.4 | 176.8 | 177.8 | -114.9 | 0 | 110.3 | D70 F100 F115 | K68-D70 WeakPolarHBondContact CE-OD1 3.43Å; K68-D70 WeakPolarHBondContact CG-OD1 3.48Å; K68-D70 IonicContact NZ-OD1 2.85Å; K68-D70 PolarHBondContact NZ-OD1 2.85Å; K68-D70 IonicContact NZ-OD2 2.71Å; K68-D70 PolarHBondContact NZ-OD2 3.08Å; K68-F100 CarbonylContact C-O 3.55Å; K68-F100 WeakPolarHBondContact CA-O 3.44Å; K68-F115 WeakPolarHBondContact O-CZ 3.33Å |
| 69 | W | 96.4 | Very high | 90.2 | Very high | 17 Ų | 17 | 57.9 Ų | 57.9 | 6% | 0.064 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 120 | 174.4 | 173.4 | -102.3 | 0 | 0 | 0 | 109.8 | G72 V76 M91 N99 F100 F115 V117 K122 D124 | W69-G72 PolarHBondContact NE1-O 3.03Å; W69-V76 HydrophobicContact CB-CG1 4.31Å; W69-V76 HydrophobicContact CG-CG1 4.15Å; W69-M91 HydrophobicContact CB-CE 3.99Å; W69-M91 HydrophobicContact CB-SD 4.37Å; W69-N99 CarbonylContact O-C 3.56Å; W69-N99 VanDerWaalsContact O-CA 3.28Å; W69-N99 WeakPolarHBondContact O-CA 3.42Å; W69-F100 HydrophobicContact CB-CB 4.3Å; W69-F100 PolarHBondContact N-O 2.86Å; W69-F100 PolarHBondContact O-N 3.35Å; W69-F115 HydrophobicContact CB-CD1 4.12Å; W69-F115 HydrophobicContact CB-CE1 3.97Å; W69-F115 HydrophobicContact CB-CZ 4.28Å; W69-F115 HydrophobicContact CD2-CD2 4.36Å; W69-F115 HydrophobicContact CD2-CG 4.27Å; W69-F115 HydrophobicContact CE3-CB 4.17Å; W69-F115 HydrophobicContact CE3-CD1 4.37Å; W69-F115 AromaticContact CE3-CD2 3.4Å; W69-F115 HydrophobicContact CE3-CD2 3.4Å; W69-F115 VanDerWaalsContact CE3-CD2 3.4Å; W69-F115 AromaticContact CE3-CE2 3.78Å; W69-F115 HydrophobicContact CE3-CE2 3.78Å; W69-F115 AromaticContact CE3-CG 3.72Å; W69-F115 HydrophobicContact CE3-CG 3.72Å; W69-F115 HydrophobicContact CE3-CZ 4.41Å; W69-F115 HydrophobicContact CZ3-CB 4.45Å; W69-F115 AromaticContact CZ3-CD2 3.8Å; W69-F115 HydrophobicContact CZ3-CD2 3.8Å; W69-F115 HydrophobicContact CZ3-CE2 4.39Å; W69-F115 HydrophobicContact CZ3-CG 4.31Å; W69-V117 HydrophobicContact CD2-CG2 4.22Å; W69-V117 HydrophobicContact CH2-CG2 4.44Å; W69-V117 HydrophobicContact CZ2-CG2 3.75Å; W69-K122 HydrophobicContact CH2-CB 3.84Å; W69-K122 HydrophobicContact CH2-CD 4.04Å; W69-K122 HydrophobicContact CZ2-CB 4.44Å; W69-K122 HydrophobicContact CZ2-CD 3.96Å; W69-K122 HydrophobicContact CZ3-CB 4.38Å; W69-D124 HydrophobicContact CE3-CB 4.34Å; W69-D124 HydrophobicContact CZ3-CB 4.13Å |
| 70 | D | 93.4 | Very high | 92.2 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | trans | -103 | -0.8 | -175.7 | -67.8 | -21.9 | 0 | 0 | 0 | 113.5 | K68 G72 N99 | K68-D70 WeakPolarHBondContact CE-OD1 3.43Å; K68-D70 WeakPolarHBondContact CG-OD1 3.48Å; K68-D70 IonicContact NZ-OD1 2.85Å; K68-D70 PolarHBondContact NZ-OD1 2.85Å; K68-D70 IonicContact NZ-OD2 2.71Å; K68-D70 PolarHBondContact NZ-OD2 3.08Å; D70-G72 VanDerWaalsContact C-N 3.31Å; D70-G72 PolarHBondContact O-N 2.82Å; D70-N99 VanDerWaalsContact CG-ND2 3.34Å; D70-N99 WeakPolarHBondContact OD1-CB 3.45Å; D70-N99 PolarHBondContact OD1-ND2 2.84Å | ||
| 71 | G | 91.8 | Very high | 93.8 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 57% | 0.567 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -84 | 9.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 72 | G | 90.9 | Very high | 94.6 | Very high | 17 Ų | 17 | 46.5 Ų | 46.5 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | trans | 66.7 | -174.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | W69 D70 H98 | W69-G72 PolarHBondContact NE1-O 3.03Å; D70-G72 VanDerWaalsContact C-N 3.31Å; D70-G72 PolarHBondContact O-N 2.82Å; G72-H98 WeakPolarHBondContact CA-O 3.44Å | ||
| 73 | G | 91.9 | Very high | 94.8 | Very high | 26 Ų | 26 | 45 Ų | 45 | 27% | 0.268 | 25% | 0.254 | S | S | . | . | trans | 142.9 | 169.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | F100 | G73-F100 VanDerWaalsContact O-CZ 3.29Å; G73-F100 WeakPolarHBondContact O-CZ 3.4Å | ||
| 74 | K | 92.6 | Very high | 95 | Very high | 172 Ų | 172 | 45.9 Ų | 45.9 | 75% | 0.748 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -95.6 | -54 | 168.3 | -61 | -179.8 | -178.5 | 179.5 | 0 | 110 | D118 | K74-D118 WeakPolarHBondContact CA-OD1 3.24Å; K74-D118 WeakPolarHBondContact CB-OD1 3.2Å; K74-D118 PolarHBondContact N-OD1 3.19Å |
| 75 | D | 94.5 | Very high | 95.1 | Very high | 94 Ų | 94 | 46.7 Ų | 46.7 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -119.2 | 113.6 | -179.8 | -62.2 | -60.9 | 0 | 0 | 0 | 109.6 | Y77 D118 | D75-Y77 HydrophobicContact CB-CE2 3.91Å; D75-D118 PolarHBondContact N-OD1 3.39Å; D75-D118 PolarHBondContact O-N 2.88Å |
| 76 | V | 97.5 | Very high | 94.9 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.3 | -177.5 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | W69 M91 F100 I116 V117 | W69-V76 HydrophobicContact CB-CG1 4.31Å; W69-V76 HydrophobicContact CG-CG1 4.15Å; V76-M91 HydrophobicContact CB-CB 4.39Å; V76-M91 HydrophobicContact CG1-CB 4.29Å; V76-M91 HydrophobicContact CG1-CG 4.28Å; V76-M91 HydrophobicContact CG1-SD 3.54Å; V76-M91 VanDerWaalsContact CG1-SD 3.54Å; V76-M91 PolarHBondContact O-N 3.14Å; V76-F100 HydrophobicContact CB-CB 4.22Å; V76-F100 HydrophobicContact CB-CD1 3.68Å; V76-F100 HydrophobicContact CB-CD2 4.32Å; V76-F100 HydrophobicContact CB-CE1 4.03Å; V76-F100 HydrophobicContact CB-CG 3.83Å; V76-F100 HydrophobicContact CG1-CB 4.19Å; V76-F100 HydrophobicContact CG1-CG 4.27Å; V76-F100 HydrophobicContact CG2-CB 4.5Å; V76-F100 HydrophobicContact CG2-CD1 3.7Å; V76-F100 HydrophobicContact CG2-CD2 3.7Å; V76-F100 HydrophobicContact CG2-CE1 3.67Å; V76-F100 HydrophobicContact CG2-CE2 3.7Å; V76-F100 HydrophobicContact CG2-CG 3.71Å; V76-F100 HydrophobicContact CG2-CZ 3.67Å; V76-I116 WeakPolarHBondContact CA-O 3.42Å; V76-V117 HydrophobicContact CG1-CG2 4.2Å; V76-V117 HydrophobicContact CG2-CG1 4.32Å; V76-V117 HydrophobicContact CG2-CG2 4.5Å |
| 77 | Y | 98.2 | Very high | 94.8 | Very high | 50 Ų | 50 | 55 Ų | 55 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 163.1 | 175.1 | -49.5 | -98.8 | 0 | 0 | 0 | 110.8 | D75 K88 I89 P90 F115 I116 | D75-Y77 HydrophobicContact CB-CE2 3.91Å; Y77-K88 HydrophobicContact CD1-CB 3.94Å; Y77-K88 HydrophobicContact CD1-CD 3.76Å; Y77-K88 HydrophobicContact CD1-CG 3.69Å; Y77-K88 HydrophobicContact CD2-CD 4.03Å; Y77-K88 HydrophobicContact CE1-CD 3.89Å; Y77-K88 HydrophobicContact CE1-CG 4.1Å; Y77-K88 HydrophobicContact CE2-CD 4.11Å; Y77-K88 HydrophobicContact CG-CB 3.95Å; Y77-K88 HydrophobicContact CG-CD 3.86Å; Y77-K88 HydrophobicContact CG-CG 4.06Å; Y77-I89 CarbonylContact C-O 3.58Å; Y77-I89 WeakPolarHBondContact CA-O 3.25Å; Y77-I89 WeakPolarHBondContact CB-O 3.12Å; Y77-P90 VanDerWaalsContact CD1-CA 3.5Å; Y77-P90 HydrophobicContact CD1-CB 3.94Å; Y77-P90 HydrophobicContact CE1-CB 3.94Å; Y77-F115 CarbonylContact O-C 3.54Å; Y77-F115 WeakPolarHBondContact O-CA 3.49Å; Y77-I116 PolarHBondContact N-O 3.49Å; Y77-I116 PolarHBondContact O-N 3.31Å |
| 78 | I | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147.1 | 169.9 | -171.6 | 173.8 | 0 | 0 | 0 | 110.2 | F67 F82 I89 M91 T102 I104 Y113 F115 | F67-I78 HydrophobicContact CB-CD1 3.69Å; F67-I78 HydrophobicContact CD1-CD1 3.38Å; F67-I78 HydrophobicContact CD2-CD1 4.16Å; F67-I78 HydrophobicContact CE1-CD1 4.02Å; F67-I78 HydrophobicContact CG-CD1 3.45Å; F67-I78 VanDerWaalsContact CG-CD1 3.45Å; I78-F82 HydrophobicContact CD1-CZ 4.34Å; I78-F82 HydrophobicContact CG1-CZ 4.29Å; I78-I89 HydrophobicContact CG2-CB 3.9Å; I78-I89 HydrophobicContact CG2-CG2 4.35Å; I78-I89 PolarHBondContact N-O 3.36Å; I78-I89 PolarHBondContact O-N 3Å; I78-M91 HydrophobicContact CB-SD 4.21Å; I78-M91 HydrophobicContact CG2-CG 4.3Å; I78-T102 HydrophobicContact CG2-CG2 3.75Å; I78-I104 HydrophobicContact CG2-CD1 4.03Å; I78-Y113 HydrophobicContact CD1-CD2 3.71Å; I78-Y113 HydrophobicContact CD1-CE2 4.48Å; I78-Y113 HydrophobicContact CD1-CG 4.21Å; I78-Y113 HydrophobicContact CG1-CD2 4.25Å; I78-F115 HydrophobicContact CB-CD1 4.21Å; I78-F115 HydrophobicContact CB-CE1 4.35Å; I78-F115 HydrophobicContact CD1-CE1 3.99Å; I78-F115 HydrophobicContact CD1-CZ 4.46Å; I78-F115 HydrophobicContact CG1-CD1 4.34Å; I78-F115 HydrophobicContact CG1-CE1 4.28Å |
| 79 | S | 97.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 153.4 | 171.3 | -161.3 | 0 | 0 | 0 | 0 | 109.1 | N83 W85 S87 Y113 K114 | S79-N83 PolarHBondContact OG-OD1 3.1Å; S79-W85 WeakPolarHBondContact O-CZ3 3.5Å; S79-S87 WeakPolarHBondContact CB-O 3.43Å; S79-S87 PolarHBondContact OG-O 2.88Å; S79-Y113 CarbonylContact O-C 3.48Å; S79-Y113 VanDerWaalsContact O-CA 3.29Å; S79-Y113 WeakPolarHBondContact O-CA 3.46Å; S79-K114 PolarHBondContact N-O 2.99Å; S79-K114 PolarHBondContact O-N 2.91Å |
| 80 | G | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.6 | -173 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F82 N83 G84 W85 Q112 | G80-F82 PolarHBondContact O-N 3.29Å; G80-N83 PolarHBondContact N-OD1 3.13Å; G80-N83 PolarHBondContact O-N 3.46Å; G80-N83 PolarHBondContact O-OD1 3.05Å; G80-G84 PolarHBondContact O-N 3.39Å; G80-W85 PolarHBondContact O-N 3.31Å; G80-Q112 CarbonylContact C-O 3.56Å; G80-Q112 WeakPolarHBondContact CA-O 3.49Å |
| 81 | T | 96 | Very high | 95 | Very high | 60 Ų | 60 | 58.2 Ų | 58.2 | 37% | 0.368 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -60.2 | -36.1 | 176.5 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | N83 G84 W85 H111 Q112 | T81-N83 VanDerWaalsContact C-N 3.26Å; T81-N83 PolarHBondContact O-N 3.32Å; T81-G84 PolarHBondContact O-N 3.48Å; T81-W85 HydrophobicContact CG2-CZ2 4.39Å; T81-H111 WeakPolarHBondContact OG1-CA 3.15Å; T81-Q112 HydrophobicContact CG2-CB 3.89Å; T81-Q112 PolarHBondContact N-O 2.98Å; T81-Q112 PolarHBondContact OG1-N 3.14Å; T81-Q112 VanDerWaalsContact OG1-N 3.13Å; T81-Q112 PolarHBondContact OG1-O 2.85Å |
| 82 | F | 94.3 | Very high | 95.2 | Very high | 51 Ų | 51 | 59.4 Ų | 59.4 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -62.9 | -24.2 | -179.6 | 51.2 | -103.7 | 0 | 0 | 0 | 114.9 | F67 I78 G80 I89 I104 L106 | F67-F82 HydrophobicContact CZ-CE1 4.26Å; I78-F82 HydrophobicContact CD1-CZ 4.34Å; I78-F82 HydrophobicContact CG1-CZ 4.29Å; G80-F82 PolarHBondContact O-N 3.29Å; F82-I89 HydrophobicContact CD2-CD1 4.33Å; F82-I89 HydrophobicContact CE2-CD1 3.71Å; F82-I104 HydrophobicContact CD2-CD1 4.32Å; F82-I104 HydrophobicContact CD2-CG2 4.17Å; F82-I104 HydrophobicContact CE1-CD1 4.36Å; F82-I104 HydrophobicContact CE2-CD1 3.62Å; F82-I104 HydrophobicContact CE2-CG2 4.5Å; F82-I104 HydrophobicContact CG-CG2 4.43Å; F82-I104 HydrophobicContact CZ-CD1 3.63Å; F82-L106 HydrophobicContact CB-CD2 3.28Å; F82-L106 HydrophobicContact CD1-CD1 4.38Å; F82-L106 HydrophobicContact CD1-CD2 3.6Å; F82-L106 HydrophobicContact CD2-CD2 4.47Å; F82-L106 HydrophobicContact CG-CD2 3.54Å |
| 83 | N | 93.2 | Very high | 95.3 | Very high | 27 Ų | 27 | 63.7 Ų | 63.7 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -114.1 | 16.3 | 172.5 | 73 | -16 | 0 | 0 | 0 | 112.3 | S79 G80 T81 W85 R86 S87 | S79-N83 PolarHBondContact OG-OD1 3.1Å; G80-N83 PolarHBondContact N-OD1 3.13Å; G80-N83 PolarHBondContact O-N 3.46Å; G80-N83 PolarHBondContact O-OD1 3.05Å; T81-N83 VanDerWaalsContact C-N 3.26Å; T81-N83 PolarHBondContact O-N 3.32Å; N83-W85 PolarHBondContact O-N 3.22Å; N83-W85 VanDerWaalsContact O-N 3.15Å; N83-W85 PolarHBondContact OD1-N 3.09Å; N83-R86 PolarHBondContact O-N 3.26Å; N83-R86 VanDerWaalsContact O-N 3.17Å; N83-S87 PolarHBondContact ND2-O 3.09Å; N83-S87 PolarHBondContact ND2-OG 3.01Å |
| 84 | G | 94.3 | Very high | 95.2 | Very high | 28 Ų | 28 | 64 Ų | 64 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 25.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G80 T81 R86 | G80-G84 PolarHBondContact O-N 3.39Å; T81-G84 PolarHBondContact O-N 3.48Å; G84-R86 PolarHBondContact O-N 3.32Å |
| 85 | W | 94.3 | Very high | 94.6 | Very high | 91 Ų | 91 | 62.4 Ų | 62.4 | 35% | 0.345 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 15.7 | -175.7 | -52.8 | 95.7 | 0 | 0 | 0 | 114.9 | S79 G80 T81 N83 Q112 K114 W121 N138 | S79-W85 WeakPolarHBondContact O-CZ3 3.5Å; G80-W85 PolarHBondContact O-N 3.31Å; T81-W85 HydrophobicContact CG2-CZ2 4.39Å; N83-W85 PolarHBondContact O-N 3.22Å; N83-W85 VanDerWaalsContact O-N 3.15Å; N83-W85 PolarHBondContact OD1-N 3.09Å; W85-Q112 HydrophobicContact CZ2-CB 4.07Å; W85-Q112 WeakPolarHBondContact CZ2-O 3.1Å; W85-K114 HydrophobicContact CH2-CB 4.22Å; W85-K114 HydrophobicContact CZ3-CB 3.92Å; W85-W121 HydrophobicContact CE3-CH2 4.46Å; W85-W121 HydrophobicContact CZ3-CZ3 4.3Å; W85-N138 HydrophobicContact CH2-CB 4.34Å |
| 86 | R | 91.5 | Very high | 93.7 | Very high | 220 Ų | 220 | 62.8 Ų | 62.8 | 83% | 0.83 | 34% | 0.338 | S | S | * | . | trans | -83 | -25.1 | -172.5 | -74.4 | -177.7 | -98.8 | -99.3 | 4.4 | 113.6 | N83 G84 | N83-R86 PolarHBondContact O-N 3.26Å; N83-R86 VanDerWaalsContact O-N 3.17Å; G84-R86 PolarHBondContact O-N 3.32Å | ||
| 87 | S | 93 | Very high | 92.6 | Very high | 64 Ų | 64 | 69.1 Ų | 69.1 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -135 | 164.2 | -176.2 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | S79 N83 | S79-S87 WeakPolarHBondContact CB-O 3.43Å; S79-S87 PolarHBondContact OG-O 2.88Å; N83-S87 PolarHBondContact ND2-O 3.09Å; N83-S87 PolarHBondContact ND2-OG 3.01Å |
| 88 | K | 95.6 | Very high | 91.8 | Very high | 117 Ų | 117 | 73.6 Ų | 73.6 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | trans | -105.5 | 124.2 | 170.1 | 63.3 | 180 | -177.5 | 169.5 | 0 | 108.5 | Y77 I116 | Y77-K88 HydrophobicContact CD1-CB 3.94Å; Y77-K88 HydrophobicContact CD1-CD 3.76Å; Y77-K88 HydrophobicContact CD1-CG 3.69Å; Y77-K88 HydrophobicContact CD2-CD 4.03Å; Y77-K88 HydrophobicContact CE1-CD 3.89Å; Y77-K88 HydrophobicContact CE1-CG 4.1Å; Y77-K88 HydrophobicContact CE2-CD 4.11Å; Y77-K88 HydrophobicContact CG-CB 3.95Å; Y77-K88 HydrophobicContact CG-CD 3.86Å; Y77-K88 HydrophobicContact CG-CG 4.06Å; K88-I116 HydrophobicContact CB-CD1 3.74Å | ||
| 89 | I | 97.3 | Very high | 91.5 | Very high | 43 Ų | 43 | 75.1 Ų | 75.1 | 22% | 0.221 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.3 | 178.5 | -58.2 | 178.4 | 0 | 0 | 0 | 107.6 | Y77 I78 F82 I104 | Y77-I89 CarbonylContact C-O 3.58Å; Y77-I89 WeakPolarHBondContact CA-O 3.25Å; Y77-I89 WeakPolarHBondContact CB-O 3.12Å; I78-I89 HydrophobicContact CG2-CB 3.9Å; I78-I89 HydrophobicContact CG2-CG2 4.35Å; I78-I89 PolarHBondContact N-O 3.36Å; I78-I89 PolarHBondContact O-N 3Å; F82-I89 HydrophobicContact CD2-CD1 4.33Å; F82-I89 HydrophobicContact CE2-CD1 3.71Å; I89-I104 HydrophobicContact CD1-CD1 3.87Å |
| 90 | P | 97.2 | Very high | 91.4 | Very high | 84 Ų | 84 | 75.2 Ų | 75.2 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 138.4 | -178.9 | 28 | -33.7 | 0 | 0 | 0 | 111.1 | Y77 | Y77-P90 VanDerWaalsContact CD1-CA 3.5Å; Y77-P90 HydrophobicContact CD1-CB 3.94Å; Y77-P90 HydrophobicContact CE1-CB 3.94Å |
| 91 | M | 97.5 | Very high | 91.4 | Very high | 16 Ų | 16 | 80.4 Ų | 80.4 | 8% | 0.079 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -98.2 | 143.9 | 175.9 | -61.2 | -177.9 | 69.9 | 0 | 0 | 111.1 | W69 V76 I78 F100 T102 F115 | W69-M91 HydrophobicContact CB-CE 3.99Å; W69-M91 HydrophobicContact CB-SD 4.37Å; V76-M91 HydrophobicContact CB-CB 4.39Å; V76-M91 HydrophobicContact CG1-CB 4.29Å; V76-M91 HydrophobicContact CG1-CG 4.28Å; V76-M91 HydrophobicContact CG1-SD 3.54Å; V76-M91 VanDerWaalsContact CG1-SD 3.54Å; V76-M91 PolarHBondContact O-N 3.14Å; I78-M91 HydrophobicContact CB-SD 4.21Å; I78-M91 HydrophobicContact CG2-CG 4.3Å; M91-F100 HydrophobicContact CB-CB 3.93Å; M91-F100 HydrophobicContact CE-CB 4.13Å; M91-F100 WeakPolarHBondContact CE-O 3.47Å; M91-T102 HydrophobicContact CG-CG2 4.21Å; M91-F115 HydrophobicContact CE-CD1 4.28Å; M91-F115 HydrophobicContact CE-CE1 3.68Å; M91-F115 HydrophobicContact SD-CD1 3.54Å; M91-F115 VanDerWaalsContact SD-CD1 3.54Å; M91-F115 HydrophobicContact SD-CE1 3.53Å; M91-F115 VanDerWaalsContact SD-CE1 3.53Å |
| 92 | V | 95.5 | Very high | 91.4 | Very high | 81 Ų | 81 | 78.5 Ų | 78.5 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 128.2 | 178.4 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | F100 Y101 | V92-F100 CarbonylContact O-C 3.55Å; V92-F100 VanDerWaalsContact O-CA 3.25Å; V92-F100 WeakPolarHBondContact O-CA 3.32Å; V92-Y101 HydrophobicContact CB-CE1 4.47Å; V92-Y101 HydrophobicContact CB-CE2 4.43Å; V92-Y101 HydrophobicContact CG1-CE1 4.34Å; V92-Y101 PolarHBondContact N-O 2.75Å; V92-Y101 PolarHBondContact O-N 3.46Å |
| 93 | K | 94.6 | Very high | 91.5 | Very high | 107 Ų | 107 | 80.9 Ų | 80.9 | 47% | 0.465 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 130.8 | 174.2 | -168.6 | 174.8 | -177.6 | 171.7 | 0 | 110.4 | F100 | K93-F100 HydrophobicContact CB-CD1 3.8Å; K93-F100 HydrophobicContact CB-CE1 3.53Å; K93-F100 HydrophobicContact CB-CZ 4.09Å; K93-F100 HydrophobicContact CD-CE1 3.93Å; K93-F100 HydrophobicContact CD-CE2 4.47Å; K93-F100 HydrophobicContact CD-CZ 3.69Å; K93-F100 HydrophobicContact CG-CD1 4.19Å; K93-F100 HydrophobicContact CG-CE1 3.71Å; K93-F100 HydrophobicContact CG-CE2 4.22Å; K93-F100 HydrophobicContact CG-CZ 3.71Å |
| 94 | S | 89.2 | Confident | 91.6 | Very high | 32 Ų | 32 | 80.6 Ų | 80.6 | 22% | 0.224 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 136.7 | 171.9 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | S96 N99 | S94-S96 VanDerWaalsContact C-N 3.3Å; S94-S96 PolarHBondContact O-N 2.83Å; S94-N99 WeakPolarHBondContact CB-O 3.49Å; S94-N99 PolarHBondContact N-O 3.41Å |
| 95 | S | 80.4 | Confident | 91.6 | Very high | 138 Ų | 138 | 84.5 Ų | 84.5 | 97% | 0.965 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -72.1 | -23 | 179.4 | -54.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 96 | S | 75.9 | Confident | 91.6 | Very high | 103 Ų | 103 | 80.1 Ų | 80.1 | 72% | 0.72 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -103.6 | -20.6 | -173.6 | 59.9 | 0 | 0 | 0 | 0 | 114 | S94 | S94-S96 VanDerWaalsContact C-N 3.3Å; S94-S96 PolarHBondContact O-N 2.83Å |
| 97 | K | 73.2 | Confident | 91.8 | Very high | 138 Ų | 138 | 71.7 Ų | 71.7 | 60% | 0.6 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -135.5 | 151.1 | -176.3 | -65.9 | -178 | 179.1 | 179.5 | 0 | 109.4 | N99 | K97-N99 HydrophobicContact CB-CB 4.43Å; K97-N99 PolarHBondContact O-N 2.8Å |
| 98 | H | 82.5 | Confident | 91.8 | Very high | 143 Ų | 143 | 72.3 Ų | 72.3 | 66% | 0.662 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -73.2 | 32.7 | 177.8 | -66.7 | -61.8 | 0 | 0 | 0 | 113.7 | G72 | G72-H98 WeakPolarHBondContact CA-O 3.44Š|
| 99 | N | 90.8 | Very high | 91.7 | Very high | 32 Ų | 32 | 67.8 Ų | 67.8 | 17% | 0.171 | 37% | 0.373 | C | S | . | . | trans | -112.2 | 150.7 | -170.9 | -50.7 | 21.8 | 0 | 0 | 0 | 108.5 | W69 D70 S94 K97 | W69-N99 CarbonylContact O-C 3.56Å; W69-N99 VanDerWaalsContact O-CA 3.28Å; W69-N99 WeakPolarHBondContact O-CA 3.42Å; D70-N99 VanDerWaalsContact CG-ND2 3.34Å; D70-N99 WeakPolarHBondContact OD1-CB 3.45Å; D70-N99 PolarHBondContact OD1-ND2 2.84Å; S94-N99 WeakPolarHBondContact CB-O 3.49Å; S94-N99 PolarHBondContact N-O 3.41Å; K97-N99 HydrophobicContact CB-CB 4.43Å; K97-N99 PolarHBondContact O-N 2.8Å | ||
| 100 | F | 96.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 71 Ų | 71 | 2% | 0.022 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 147 | -179.1 | -65.4 | -105.4 | 0 | 0 | 0 | 109.1 | K68 W69 G73 V76 M91 V92 K93 | K68-F100 CarbonylContact C-O 3.55Å; K68-F100 WeakPolarHBondContact CA-O 3.44Å; W69-F100 HydrophobicContact CB-CB 4.3Å; W69-F100 PolarHBondContact N-O 2.86Å; W69-F100 PolarHBondContact O-N 3.35Å; G73-F100 VanDerWaalsContact O-CZ 3.29Å; G73-F100 WeakPolarHBondContact O-CZ 3.4Å; V76-F100 HydrophobicContact CB-CB 4.22Å; V76-F100 HydrophobicContact CB-CD1 3.68Å; V76-F100 HydrophobicContact CB-CD2 4.32Å; V76-F100 HydrophobicContact CB-CE1 4.03Å; V76-F100 HydrophobicContact CB-CG 3.83Å; V76-F100 HydrophobicContact CG1-CB 4.19Å; V76-F100 HydrophobicContact CG1-CG 4.27Å; V76-F100 HydrophobicContact CG2-CB 4.5Å; V76-F100 HydrophobicContact CG2-CD1 3.7Å; V76-F100 HydrophobicContact CG2-CD2 3.7Å; V76-F100 HydrophobicContact CG2-CE1 3.67Å; V76-F100 HydrophobicContact CG2-CE2 3.7Å; V76-F100 HydrophobicContact CG2-CG 3.71Å; V76-F100 HydrophobicContact CG2-CZ 3.67Å; M91-F100 HydrophobicContact CB-CB 3.93Å; M91-F100 HydrophobicContact CE-CB 4.13Å; M91-F100 WeakPolarHBondContact CE-O 3.47Å; V92-F100 CarbonylContact O-C 3.55Å; V92-F100 VanDerWaalsContact O-CA 3.25Å; V92-F100 WeakPolarHBondContact O-CA 3.32Å; K93-F100 HydrophobicContact CB-CD1 3.8Å; K93-F100 HydrophobicContact CB-CE1 3.53Å; K93-F100 HydrophobicContact CB-CZ 4.09Å; K93-F100 HydrophobicContact CD-CE1 3.93Å; K93-F100 HydrophobicContact CD-CE2 4.47Å; K93-F100 HydrophobicContact CD-CZ 3.69Å; K93-F100 HydrophobicContact CG-CD1 4.19Å; K93-F100 HydrophobicContact CG-CE1 3.71Å; K93-F100 HydrophobicContact CG-CE2 4.22Å; K93-F100 HydrophobicContact CG-CZ 3.71Å |
| 101 | Y | 96.2 | Very high | 91.7 | Very high | 108 Ų | 108 | 67.8 Ų | 67.8 | 42% | 0.424 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 158.5 | 177.5 | 64.3 | -85.2 | 0 | 0 | 0 | 112.6 | F67 V92 | F67-Y101 CarbonylContact O-C 3.56Å; F67-Y101 WeakPolarHBondContact O-CA 3.46Å; V92-Y101 HydrophobicContact CB-CE1 4.47Å; V92-Y101 HydrophobicContact CB-CE2 4.43Å; V92-Y101 HydrophobicContact CG1-CE1 4.34Å; V92-Y101 PolarHBondContact N-O 2.75Å; V92-Y101 PolarHBondContact O-N 3.46Å |
| 102 | T | 96.6 | Very high | 91.7 | Very high | 20 Ų | 20 | 69.5 Ų | 69.5 | 12% | 0.123 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158.8 | 165.1 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | F67 I78 M91 I104 | F67-T102 HydrophobicContact CB-CG2 4.09Å; F67-T102 PolarHBondContact N-O 3.38Å; F67-T102 PolarHBondContact O-N 3.24Å; I78-T102 HydrophobicContact CG2-CG2 3.75Å; M91-T102 HydrophobicContact CG-CG2 4.21Å; T102-I104 HydrophobicContact CG2-CD1 4.03Å; T102-I104 HydrophobicContact CG2-CG1 4.04Å |
| 103 | I | 95.9 | Very high | 91.9 | Very high | 102 Ų | 102 | 65.9 Ų | 65.9 | 52% | 0.523 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.5 | 173.2 | -55.1 | 178.4 | 0 | 0 | 0 | 106.7 | P64 T65 V66 | P64-I103 HydrophobicContact CB-CG2 3.82Å; T65-I103 WeakPolarHBondContact O-CA 3.44Å; V66-I103 HydrophobicContact CG2-CG1 4.3Å |
| 104 | I | 95.8 | Very high | 92 | Very high | 21 Ų | 21 | 62.6 Ų | 62.6 | 11% | 0.108 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 127.4 | 179.5 | -56.5 | 176.2 | 0 | 0 | 0 | 107.4 | T65 F67 I78 F82 I89 T102 L106 | T65-I104 WeakPolarHBondContact CB-O 3.38Å; T65-I104 PolarHBondContact N-O 2.97Å; T65-I104 PolarHBondContact O-N 2.93Å; F67-I104 HydrophobicContact CD2-CB 4.33Å; F67-I104 HydrophobicContact CD2-CD1 3.97Å; F67-I104 HydrophobicContact CD2-CG1 4.19Å; F67-I104 HydrophobicContact CE2-CB 4.15Å; F67-I104 HydrophobicContact CE2-CD1 4.15Å; F67-I104 HydrophobicContact CE2-CG1 4.42Å; I78-I104 HydrophobicContact CG2-CD1 4.03Å; F82-I104 HydrophobicContact CD2-CD1 4.32Å; F82-I104 HydrophobicContact CD2-CG2 4.17Å; F82-I104 HydrophobicContact CE1-CD1 4.36Å; F82-I104 HydrophobicContact CE2-CD1 3.62Å; F82-I104 HydrophobicContact CE2-CG2 4.5Å; F82-I104 HydrophobicContact CG-CG2 4.43Å; F82-I104 HydrophobicContact CZ-CD1 3.63Å; I89-I104 HydrophobicContact CD1-CD1 3.87Å; T102-I104 HydrophobicContact CG2-CD1 4.03Å; T102-I104 HydrophobicContact CG2-CG1 4.04Å; I104-L106 HydrophobicContact CB-CD2 4.48Å; I104-L106 HydrophobicContact CG2-CD2 3.67Å; I104-L106 HydrophobicContact CG2-CG 4.17Å; I104-L106 PolarHBondContact O-N 3.09Å |
| 105 | D | 94.4 | Very high | 92.4 | Very high | 109 Ų | 109 | 61 Ų | 61 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 118.7 | 172.6 | -63.3 | -31.7 | 0 | 0 | 0 | 109 | V63 P64 | V63-D105 WeakPolarHBondContact O-CA 3.32Å; P64-D105 VanDerWaalsContact CA-OD1 3.31Å; P64-D105 WeakPolarHBondContact CA-OD1 3.31Å |
| 106 | L | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.7 | -176.3 | -66.3 | -174.3 | 0 | 0 | 0 | 111.2 | S62 V63 T65 F67 F82 I104 H111 V143 | S62-L106 CarbonylContact C-O 3.53Å; S62-L106 VanDerWaalsContact CA-O 3.26Å; S62-L106 WeakPolarHBondContact CA-O 3.3Å; V63-L106 WeakPolarHBondContact CG2-O 3.4Å; V63-L106 PolarHBondContact N-O 3.14Å; V63-L106 PolarHBondContact O-N 3.34Å; T65-L106 HydrophobicContact CG2-CD1 4.08Å; F67-L106 HydrophobicContact CE2-CD1 3.74Å; F67-L106 HydrophobicContact CZ-CD1 3.63Å; F82-L106 HydrophobicContact CB-CD2 3.28Å; F82-L106 HydrophobicContact CD1-CD1 4.38Å; F82-L106 HydrophobicContact CD1-CD2 3.6Å; F82-L106 HydrophobicContact CD2-CD2 4.47Å; F82-L106 HydrophobicContact CG-CD2 3.54Å; I104-L106 HydrophobicContact CB-CD2 4.48Å; I104-L106 HydrophobicContact CG2-CD2 3.67Å; I104-L106 HydrophobicContact CG2-CG 4.17Å; I104-L106 PolarHBondContact O-N 3.09Å; L106-H111 HydrophobicContact CD1-CB 4.24Å; L106-V143 HydrophobicContact CB-CG2 4.18Å; L106-V143 HydrophobicContact CD1-CG2 4.1Å |
| 107 | P | 94.5 | Very high | 94.3 | Very high | 43 Ų | 43 | 50.6 Ų | 50.6 | 28% | 0.279 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 152.8 | 163.4 | -30 | 38.1 | 0 | 0 | 0 | 112.6 | V60 H111 | V60-P107 HydrophobicContact CG1-CB 3.54Å; V60-P107 HydrophobicContact CG1-CG 3.77Å; P107-H111 PolarHBondContact O-NE2 3.4Å |
| 108 | L | 93.3 | Very high | 95.4 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 40% | 0.403 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -57.5 | 139.9 | 167.1 | -58 | -175.6 | 0 | 0 | 0 | 110.6 | V63 V143 E145 | V63-L108 HydrophobicContact CG2-CD2 4.09Å; L108-V143 HydrophobicContact CD2-CG1 4.04Å; L108-E145 HydrophobicContact CD1-CB 4.18Å |
| 109 | G | 94.9 | Very high | 96 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 22% | 0.216 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 130.1 | -170.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q142 V143 | G109-Q142 VanDerWaalsContact C-NE2 3.33Å; G109-V143 PolarHBondContact N-O 3.11Å; G109-V143 PolarHBondContact O-N 3.08Å |
| 110 | E | 97 | Very high | 96.3 | Very high | 111 Ų | 111 | 48.1 Ų | 48.1 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 132.4 | 177.2 | -171.6 | -176 | 112.2 | 0 | 0 | 110.4 | Q112 V140 I141 | E110-Q112 PolarHBondContact OE1-NE2 3.32Å; E110-V140 HydrophobicContact CG-CG2 3.33Å; E110-I141 WeakPolarHBondContact CA-O 3.43Å |
| 111 | H | 97.2 | Very high | 96.4 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135.3 | 170.9 | -62.2 | -87.3 | 0 | 0 | 0 | 110.6 | T81 L106 P107 V140 I141 | T81-H111 WeakPolarHBondContact OG1-CA 3.15Å; L106-H111 HydrophobicContact CD1-CB 4.24Å; P107-H111 PolarHBondContact O-NE2 3.4Å; H111-V140 WeakPolarHBondContact O-CA 3.38Å; H111-I141 HydrophobicContact CB-CG2 3.96Å; H111-I141 PolarHBondContact N-O 3.18Å; H111-I141 PolarHBondContact O-N 3.07Å |
| 112 | Q | 97.6 | Very high | 96.4 | Very high | 51 Ų | 51 | 53.2 Ų | 53.2 | 24% | 0.238 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 140.8 | 173.9 | -62.2 | -178.9 | 18.8 | 0 | 0 | 109.9 | G80 T81 W85 E110 N138 N139 | G80-Q112 CarbonylContact C-O 3.56Å; G80-Q112 WeakPolarHBondContact CA-O 3.49Å; T81-Q112 HydrophobicContact CG2-CB 3.89Å; T81-Q112 PolarHBondContact N-O 2.98Å; T81-Q112 PolarHBondContact OG1-N 3.14Å; T81-Q112 VanDerWaalsContact OG1-N 3.13Å; T81-Q112 PolarHBondContact OG1-O 2.85Å; W85-Q112 HydrophobicContact CZ2-CB 4.07Å; W85-Q112 WeakPolarHBondContact CZ2-O 3.1Å; E110-Q112 PolarHBondContact OE1-NE2 3.32Å; Q112-N138 HydrophobicContact CB-CB 4.12Å; Q112-N138 PolarHBondContact OE1-ND2 2.93Å; Q112-N139 CarbonylContact C-O 3.54Å; Q112-N139 VanDerWaalsContact CA-O 3.29Å; Q112-N139 WeakPolarHBondContact CA-O 3.41Å |
| 113 | Y | 98.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 163.3 | -177 | 69.4 | -81.4 | 0 | 0 | 0 | 111.5 | F67 I78 S79 F115 N139 I141 | F67-Y113 HydrophobicContact CD1-CD1 4.36Å; F67-Y113 AromaticContact CD1-CD2 3.92Å; F67-Y113 HydrophobicContact CD1-CD2 3.92Å; F67-Y113 HydrophobicContact CD1-CE1 4.33Å; F67-Y113 AromaticContact CD1-CE2 3.87Å; F67-Y113 HydrophobicContact CD1-CE2 3.87Å; F67-Y113 HydrophobicContact CD1-CG 4.15Å; F67-Y113 AromaticContact CE1-CD1 3.64Å; F67-Y113 HydrophobicContact CE1-CD1 3.64Å; F67-Y113 AromaticContact CE1-CD2 3.98Å; F67-Y113 HydrophobicContact CE1-CD2 3.98Å; F67-Y113 AromaticContact CE1-CE1 3.79Å; F67-Y113 HydrophobicContact CE1-CE1 3.79Å; F67-Y113 HydrophobicContact CE1-CE2 4.11Å; F67-Y113 AromaticContact CE1-CG 3.73Å; F67-Y113 HydrophobicContact CE1-CG 3.73Å; I78-Y113 HydrophobicContact CD1-CD2 3.71Å; I78-Y113 HydrophobicContact CD1-CE2 4.48Å; I78-Y113 HydrophobicContact CD1-CG 4.21Å; I78-Y113 HydrophobicContact CG1-CD2 4.25Å; S79-Y113 CarbonylContact O-C 3.48Å; S79-Y113 VanDerWaalsContact O-CA 3.29Å; S79-Y113 WeakPolarHBondContact O-CA 3.46Å; Y113-F115 HydrophobicContact CD2-CE2 4.12Å; Y113-F115 HydrophobicContact CD2-CZ 4.19Å; Y113-F115 HydrophobicContact CE2-CD2 4.4Å; Y113-F115 AromaticContact CE2-CE2 3.55Å; Y113-F115 HydrophobicContact CE2-CE2 3.55Å; Y113-F115 AromaticContact CE2-CZ 3.69Å; Y113-F115 HydrophobicContact CE2-CZ 3.69Å; Y113-N139 HydrophobicContact CD1-CB 3.94Å; Y113-N139 HydrophobicContact CD2-CB 4.04Å; Y113-N139 HydrophobicContact CE1-CB 3.49Å; Y113-N139 VanDerWaalsContact CE1-CB 3.49Å; Y113-N139 HydrophobicContact CE2-CB 3.59Å; Y113-N139 HydrophobicContact CG-CB 4.21Å; Y113-N139 PolarHBondContact N-O 3.05Å; Y113-N139 PolarHBondContact O-N 3.35Å; Y113-I141 HydrophobicContact CD1-CG2 4.21Å; Y113-I141 HydrophobicContact CE1-CB 4.11Å; Y113-I141 HydrophobicContact CE1-CG2 4.16Å |
| 114 | K | 97.8 | Very high | 96.5 | Very high | 37 Ų | 37 | 49.9 Ų | 49.9 | 16% | 0.161 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 147 | 174.6 | -158.9 | 168.6 | -168.7 | 164.2 | 0 | 110.3 | S79 W85 W121 K122 L123 Q137 | S79-K114 PolarHBondContact N-O 2.99Å; S79-K114 PolarHBondContact O-N 2.91Å; W85-K114 HydrophobicContact CH2-CB 4.22Å; W85-K114 HydrophobicContact CZ3-CB 3.92Å; K114-W121 HydrophobicContact CB-CE3 3.79Å; K114-W121 HydrophobicContact CB-CZ3 3.93Å; K114-W121 HydrophobicContact CD-CB 4.14Å; K114-W121 HydrophobicContact CD-CD2 4.43Å; K114-W121 HydrophobicContact CD-CE3 3.83Å; K114-W121 HydrophobicContact CG-CE3 3.8Å; K114-W121 HydrophobicContact CG-CZ3 4.44Å; K114-K122 WeakPolarHBondContact CG-O 3.18Å; K114-L123 HydrophobicContact CD-CD2 4.34Å; K114-L123 HydrophobicContact CG-CD2 4.15Å; K114-Q137 WeakPolarHBondContact CE-O 3.35Å; K114-Q137 PolarHBondContact NZ-O 3.42Å |
| 115 | F | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 148 | 177.1 | -62.1 | -77.2 | 0 | 0 | 0 | 110.8 | K68 W69 Y77 I78 M91 Y113 V117 W121 K122 D124 | K68-F115 WeakPolarHBondContact O-CZ 3.33Å; W69-F115 HydrophobicContact CB-CD1 4.12Å; W69-F115 HydrophobicContact CB-CE1 3.97Å; W69-F115 HydrophobicContact CB-CZ 4.28Å; W69-F115 HydrophobicContact CD2-CD2 4.36Å; W69-F115 HydrophobicContact CD2-CG 4.27Å; W69-F115 HydrophobicContact CE3-CB 4.17Å; W69-F115 HydrophobicContact CE3-CD1 4.37Å; W69-F115 AromaticContact CE3-CD2 3.4Å; W69-F115 HydrophobicContact CE3-CD2 3.4Å; W69-F115 VanDerWaalsContact CE3-CD2 3.4Å; W69-F115 AromaticContact CE3-CE2 3.78Å; W69-F115 HydrophobicContact CE3-CE2 3.78Å; W69-F115 AromaticContact CE3-CG 3.72Å; W69-F115 HydrophobicContact CE3-CG 3.72Å; W69-F115 HydrophobicContact CE3-CZ 4.41Å; W69-F115 HydrophobicContact CZ3-CB 4.45Å; W69-F115 AromaticContact CZ3-CD2 3.8Å; W69-F115 HydrophobicContact CZ3-CD2 3.8Å; W69-F115 HydrophobicContact CZ3-CE2 4.39Å; W69-F115 HydrophobicContact CZ3-CG 4.31Å; Y77-F115 CarbonylContact O-C 3.54Å; Y77-F115 WeakPolarHBondContact O-CA 3.49Å; I78-F115 HydrophobicContact CB-CD1 4.21Å; I78-F115 HydrophobicContact CB-CE1 4.35Å; I78-F115 HydrophobicContact CD1-CE1 3.99Å; I78-F115 HydrophobicContact CD1-CZ 4.46Å; I78-F115 HydrophobicContact CG1-CD1 4.34Å; I78-F115 HydrophobicContact CG1-CE1 4.28Å; M91-F115 HydrophobicContact CE-CD1 4.28Å; M91-F115 HydrophobicContact CE-CE1 3.68Å; M91-F115 HydrophobicContact SD-CD1 3.54Å; M91-F115 VanDerWaalsContact SD-CD1 3.54Å; M91-F115 HydrophobicContact SD-CE1 3.53Å; M91-F115 VanDerWaalsContact SD-CE1 3.53Å; Y113-F115 HydrophobicContact CD2-CE2 4.12Å; Y113-F115 HydrophobicContact CD2-CZ 4.19Å; Y113-F115 HydrophobicContact CE2-CD2 4.4Å; Y113-F115 AromaticContact CE2-CE2 3.55Å; Y113-F115 HydrophobicContact CE2-CE2 3.55Å; Y113-F115 AromaticContact CE2-CZ 3.69Å; Y113-F115 HydrophobicContact CE2-CZ 3.69Å; F115-V117 HydrophobicContact CB-CG2 4.15Å; F115-W121 CarbonylContact O-C 3.44Å; F115-W121 WeakPolarHBondContact O-CA 3.41Å; F115-K122 PolarHBondContact N-O 2.95Å; F115-K122 PolarHBondContact O-N 2.6Å; F115-D124 HydrophobicContact CD2-CB 4.43Å; F115-D124 HydrophobicContact CE2-CB 3.92Å |
| 116 | I | 98 | Very high | 96.3 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 106.4 | 170 | -53.1 | 154.6 | 0 | 0 | 0 | 106 | V76 Y77 K88 H120 W121 | V76-I116 WeakPolarHBondContact CA-O 3.42Å; Y77-I116 PolarHBondContact N-O 3.49Å; Y77-I116 PolarHBondContact O-N 3.31Å; K88-I116 HydrophobicContact CB-CD1 3.74Å; I116-H120 CarbonylContact C-O 3.58Å; I116-H120 WeakPolarHBondContact CA-O 3.43Å; I116-W121 HydrophobicContact CD1-CE3 4.31Å; I116-W121 HydrophobicContact CD1-CH2 3.62Å; I116-W121 HydrophobicContact CD1-CZ2 3.94Å; I116-W121 HydrophobicContact CD1-CZ3 3.81Å; I116-W121 HydrophobicContact CG1-CD2 3.81Å; I116-W121 HydrophobicContact CG1-CE3 3.48Å; I116-W121 VanDerWaalsContact CG1-CE3 3.48Å; I116-W121 HydrophobicContact CG1-CH2 3.73Å; I116-W121 HydrophobicContact CG1-CZ2 3.99Å; I116-W121 HydrophobicContact CG1-CZ3 3.45Å; I116-W121 VanDerWaalsContact CG1-CZ3 3.45Å |
| 117 | V | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.8 | -174.7 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | W69 V76 F115 G119 H120 K122 | W69-V117 HydrophobicContact CD2-CG2 4.22Å; W69-V117 HydrophobicContact CH2-CG2 4.44Å; W69-V117 HydrophobicContact CZ2-CG2 3.75Å; V76-V117 HydrophobicContact CG1-CG2 4.2Å; V76-V117 HydrophobicContact CG2-CG1 4.32Å; V76-V117 HydrophobicContact CG2-CG2 4.5Å; F115-V117 HydrophobicContact CB-CG2 4.15Å; V117-G119 PolarHBondContact O-N 2.84Å; V117-H120 PolarHBondContact N-O 3.09Å; V117-H120 PolarHBondContact O-N 2.89Å; V117-K122 HydrophobicContact CB-CD 3.85Å; V117-K122 HydrophobicContact CB-CG 4.32Å; V117-K122 HydrophobicContact CG1-CD 4.37Å; V117-K122 HydrophobicContact CG2-CB 4.32Å; V117-K122 HydrophobicContact CG2-CD 4.01Å; V117-K122 HydrophobicContact CG2-CG 4.37Å |
| 118 | D | 96.1 | Very high | 96.4 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 43.3 | -178.2 | -56.9 | -35.8 | 0 | 0 | 0 | 111.9 | K74 D75 H120 | K74-D118 WeakPolarHBondContact CA-OD1 3.24Å; K74-D118 WeakPolarHBondContact CB-OD1 3.2Å; K74-D118 PolarHBondContact N-OD1 3.19Å; D75-D118 PolarHBondContact N-OD1 3.39Å; D75-D118 PolarHBondContact O-N 2.88Å; D118-H120 VanDerWaalsContact C-N 3.32Å; D118-H120 PolarHBondContact O-N 2.65Å; D118-H120 PolarHBondContact O-ND1 3.36Å |
| 119 | G | 96.1 | Very high | 96.6 | Very high | 62 Ų | 62 | 63.7 Ų | 63.7 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -3.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | V117 | V117-G119 PolarHBondContact O-N 2.84Š|
| 120 | H | 97.3 | Very high | 96.6 | Very high | 128 Ų | 128 | 64.6 Ų | 64.6 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.7 | -176.5 | -59.7 | 81.4 | 0 | 0 | 0 | 111.7 | I116 V117 D118 K122 | I116-H120 CarbonylContact C-O 3.58Å; I116-H120 WeakPolarHBondContact CA-O 3.43Å; V117-H120 PolarHBondContact N-O 3.09Å; V117-H120 PolarHBondContact O-N 2.89Å; D118-H120 VanDerWaalsContact C-N 3.32Å; D118-H120 PolarHBondContact O-N 2.65Å; D118-H120 PolarHBondContact O-ND1 3.36Å; H120-K122 PolarHBondContact O-N 3.23Å |
| 121 | W | 96.7 | Very high | 96.5 | Very high | 134 Ų | 134 | 63 Ų | 63 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 125.9 | 174.5 | -68.8 | 98.6 | 0 | 0 | 0 | 111 | W85 K114 F115 I116 | W85-W121 HydrophobicContact CE3-CH2 4.46Å; W85-W121 HydrophobicContact CZ3-CZ3 4.3Å; K114-W121 HydrophobicContact CB-CE3 3.79Å; K114-W121 HydrophobicContact CB-CZ3 3.93Å; K114-W121 HydrophobicContact CD-CB 4.14Å; K114-W121 HydrophobicContact CD-CD2 4.43Å; K114-W121 HydrophobicContact CD-CE3 3.83Å; K114-W121 HydrophobicContact CG-CE3 3.8Å; K114-W121 HydrophobicContact CG-CZ3 4.44Å; F115-W121 CarbonylContact O-C 3.44Å; F115-W121 WeakPolarHBondContact O-CA 3.41Å; I116-W121 HydrophobicContact CD1-CE3 4.31Å; I116-W121 HydrophobicContact CD1-CH2 3.62Å; I116-W121 HydrophobicContact CD1-CZ2 3.94Å; I116-W121 HydrophobicContact CD1-CZ3 3.81Å; I116-W121 HydrophobicContact CG1-CD2 3.81Å; I116-W121 HydrophobicContact CG1-CE3 3.48Å; I116-W121 VanDerWaalsContact CG1-CE3 3.48Å; I116-W121 HydrophobicContact CG1-CH2 3.73Å; I116-W121 HydrophobicContact CG1-CZ2 3.99Å; I116-W121 HydrophobicContact CG1-CZ3 3.45Å; I116-W121 VanDerWaalsContact CG1-CZ3 3.45Å |
| 122 | K | 97.2 | Very high | 96.2 | Very high | 85 Ų | 85 | 64.1 Ų | 64.1 | 37% | 0.37 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149 | -179.3 | -64.6 | -166.5 | -175.8 | 176.1 | 0 | 111.5 | W69 K114 F115 V117 H120 | W69-K122 HydrophobicContact CH2-CB 3.84Å; W69-K122 HydrophobicContact CH2-CD 4.04Å; W69-K122 HydrophobicContact CZ2-CB 4.44Å; W69-K122 HydrophobicContact CZ2-CD 3.96Å; W69-K122 HydrophobicContact CZ3-CB 4.38Å; K114-K122 WeakPolarHBondContact CG-O 3.18Å; F115-K122 PolarHBondContact N-O 2.95Å; F115-K122 PolarHBondContact O-N 2.6Å; V117-K122 HydrophobicContact CB-CD 3.85Å; V117-K122 HydrophobicContact CB-CG 4.32Å; V117-K122 HydrophobicContact CG1-CD 4.37Å; V117-K122 HydrophobicContact CG2-CB 4.32Å; V117-K122 HydrophobicContact CG2-CD 4.01Å; V117-K122 HydrophobicContact CG2-CG 4.37Å; H120-K122 PolarHBondContact O-N 3.23Å |
| 123 | L | 97.1 | Very high | 95.9 | Very high | 39 Ų | 39 | 68.7 Ų | 68.7 | 20% | 0.204 | 38% | 0.376 | C | S | . | . | trans | -99.3 | 145.8 | 169.3 | -65.3 | 168.8 | 0 | 0 | 0 | 109 | K114 V129 Q137 N139 | K114-L123 HydrophobicContact CD-CD2 4.34Å; K114-L123 HydrophobicContact CG-CD2 4.15Å; L123-V129 HydrophobicContact CD1-CG1 4.27Å; L123-V129 HydrophobicContact CD1-CG2 4.46Å; L123-Q137 HydrophobicContact CD1-CB 3.73Å; L123-N139 VanDerWaalsContact CA-OD1 3.31Å; L123-N139 WeakPolarHBondContact CA-OD1 3.42Å; L123-N139 WeakPolarHBondContact CD2-OD1 3.5Å | ||
| 124 | D | 96.1 | Very high | 95.7 | Very high | 14 Ų | 14 | 74.2 Ų | 74.2 | 8% | 0.075 | 41% | 0.411 | C | S | . | . | trans | -79 | 119.3 | 161.3 | -173.3 | -10 | 0 | 0 | 0 | 108.5 | W69 F115 N126 Q127 N139 | W69-D124 HydrophobicContact CE3-CB 4.34Å; W69-D124 HydrophobicContact CZ3-CB 4.13Å; F115-D124 HydrophobicContact CD2-CB 4.43Å; F115-D124 HydrophobicContact CE2-CB 3.92Å; D124-N126 PolarHBondContact O-N 3.46Å; D124-N126 PolarHBondContact OD1-N 3.08Å; D124-Q127 HydrophobicContact CB-CB 4.16Å; D124-Q127 HydrophobicContact CB-CG 3.88Å; D124-Q127 PolarHBondContact O-N 2.75Å; D124-Q127 WeakPolarHBondContact OD2-CG 3.38Å; D124-N139 PolarHBondContact N-OD1 3.05Å; D124-N139 PolarHBondContact O-ND2 2.85Å | ||
| 125 | Q | 93.9 | Very high | 95.4 | Very high | 183 Ų | 183 | 74.9 Ų | 74.9 | 86% | 0.855 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -17.6 | -177.4 | -64.2 | 178.7 | 1.6 | 0 | 0 | 112.6 | Q127 | Q125-Q127 VanDerWaalsContact C-N 3.34Š|
| 126 | N | 93.6 | Very high | 95.2 | Very high | 136 Ų | 136 | 78.4 Ų | 78.4 | 73% | 0.727 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -3.2 | 179.1 | -58.9 | -41.6 | 0 | 0 | 0 | 112.8 | D124 | D124-N126 PolarHBondContact O-N 3.46Å; D124-N126 PolarHBondContact OD1-N 3.08Å |
| 127 | Q | 95.3 | Very high | 95.1 | Very high | 81 Ų | 81 | 81.7 Ų | 81.7 | 38% | 0.379 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -110.3 | 150.6 | -177.7 | -63.7 | -63.4 | -32.4 | 0 | 0 | 110.3 | D124 Q125 | D124-Q127 HydrophobicContact CB-CB 4.16Å; D124-Q127 HydrophobicContact CB-CG 3.88Å; D124-Q127 PolarHBondContact O-N 2.75Å; D124-Q127 WeakPolarHBondContact OD2-CG 3.38Å; Q125-Q127 VanDerWaalsContact C-N 3.34Å |
| 128 | P | 96.4 | Very high | 95.1 | Very high | 78 Ų | 78 | 82.7 Ų | 82.7 | 51% | 0.506 | 47% | 0.469 | S | S | . | . | trans | -53.1 | 144.6 | 174.1 | -27.2 | 36.6 | 0 | 0 | 0 | 112.4 | N139 V140 | P128-N139 CarbonylContact O-C 3.58Å; P128-N139 VanDerWaalsContact O-CA 3.26Å; P128-N139 WeakPolarHBondContact O-CA 3.26Å; P128-N139 PolarHBondContact O-ND2 3.08Å; P128-V140 HydrophobicContact CB-CG1 3.61Å; P128-V140 PolarHBondContact O-N 3.21Å | ||
| 129 | V | 96.9 | Very high | 95.2 | Very high | 62 Ų | 62 | 79.2 Ų | 79.2 | 38% | 0.376 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132.5 | -179.5 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | L123 Q137 N138 | L123-V129 HydrophobicContact CD1-CG1 4.27Å; L123-V129 HydrophobicContact CD1-CG2 4.46Å; V129-Q137 HydrophobicContact CG1-CB 4.04Å; V129-N138 CarbonylContact C-O 3.56Å; V129-N138 WeakPolarHBondContact CA-O 3.4Å; V129-N138 WeakPolarHBondContact CG1-O 3.37Å |
| 130 | S | 94.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 77.5 Ų | 77.5 | 27% | 0.273 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 138 | 168.7 | -176 | 0 | 0 | 0 | 0 | 109.7 | Q137 N138 | S130-Q137 WeakPolarHBondContact O-CA 3.3Å; S130-N138 PolarHBondContact N-O 3.1Å; S130-N138 PolarHBondContact O-N 3.45Å |
| 131 | T | 95.4 | Very high | 95.3 | Very high | 79 Ų | 79 | 73.4 Ų | 73.4 | 49% | 0.485 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121 | 178.9 | -56.4 | 0 | 0 | 0 | 0 | 109.5 | V136 Q137 | T131-V136 WeakPolarHBondContact CA-O 3.33Å; T131-Q137 HydrophobicContact CG2-CG 3.99Å; T131-Q137 PolarHBondContact OG1-NE2 3.38Å |
| 132 | S | 90.9 | Very high | 95.2 | Very high | 40 Ų | 40 | 71.5 Ų | 71.5 | 28% | 0.28 | 41% | 0.406 | S | S | . | . | trans | -71.3 | 161.4 | 176.3 | 74.6 | 0 | 0 | 0 | 0 | 111.7 | T134 G135 V136 | S132-T134 PolarHBondContact O-N 3.48Å; S132-T134 PolarHBondContact OG-N 2.67Å; S132-T134 PolarHBondContact OG-OG1 2.94Å; S132-G135 PolarHBondContact O-N 3.48Å; S132-V136 PolarHBondContact N-O 2.81Å; S132-V136 WeakPolarHBondContact OG-CB 3.42Å; S132-V136 PolarHBondContact OG-N 3.02Å; S132-V136 PolarHBondContact OG-O 2.84Å | ||
| 133 | P | 92.2 | Very high | 95 | Very high | 147 Ų | 147 | 67.6 Ų | 67.6 | 96% | 0.955 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -21.9 | 172.3 | -26.5 | 35.6 | 0 | 0 | 0 | 114.6 | G135 | P133-G135 VanDerWaalsContact C-N 3.3Š|
| 134 | T | 93.1 | Very high | 94.7 | Very high | 122 Ų | 122 | 71 Ų | 71 | 75% | 0.748 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 1.8 | 176.4 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | S132 | S132-T134 PolarHBondContact O-N 3.48Å; S132-T134 PolarHBondContact OG-N 2.67Å; S132-T134 PolarHBondContact OG-OG1 2.94Å |
| 135 | G | 92.1 | Very high | 94.2 | Very high | 50 Ų | 50 | 77 Ų | 77 | 52% | 0.515 | 43% | 0.431 | S | S | . | . | S | Bend | trans | 84 | 7.3 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | S132 P133 Q137 | S132-G135 PolarHBondContact O-N 3.48Å; P133-G135 VanDerWaalsContact C-N 3.3Å; G135-Q137 PolarHBondContact O-N 2.89Å |
| 136 | V | 93 | Very high | 93.5 | Very high | 74 Ų | 74 | 69.5 Ų | 69.5 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | trans | -76.2 | 126.3 | 176.8 | 180 | 0 | 0 | 0 | 0 | 109.1 | T131 S132 | T131-V136 WeakPolarHBondContact CA-O 3.33Å; S132-V136 PolarHBondContact N-O 2.81Å; S132-V136 WeakPolarHBondContact OG-CB 3.42Å; S132-V136 PolarHBondContact OG-N 3.02Å; S132-V136 PolarHBondContact OG-O 2.84Å | ||
| 137 | Q | 96.5 | Very high | 92.8 | Very high | 90 Ų | 90 | 66.8 Ų | 66.8 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132 | 179.4 | -60.8 | -170.4 | -51.7 | 0 | 0 | 111.7 | K114 L123 V129 S130 T131 G135 | K114-Q137 WeakPolarHBondContact CE-O 3.35Å; K114-Q137 PolarHBondContact NZ-O 3.42Å; L123-Q137 HydrophobicContact CD1-CB 3.73Å; V129-Q137 HydrophobicContact CG1-CB 4.04Å; S130-Q137 WeakPolarHBondContact O-CA 3.3Å; T131-Q137 HydrophobicContact CG2-CG 3.99Å; T131-Q137 PolarHBondContact OG1-NE2 3.38Å; G135-Q137 PolarHBondContact O-N 2.89Å |
| 138 | N | 97.4 | Very high | 92.1 | Very high | 21 Ų | 21 | 67 Ų | 67 | 11% | 0.112 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150.2 | 176.3 | -64.1 | -33.9 | 0 | 0 | 0 | 109.9 | W85 Q112 V129 S130 | W85-N138 HydrophobicContact CH2-CB 4.34Å; Q112-N138 HydrophobicContact CB-CB 4.12Å; Q112-N138 PolarHBondContact OE1-ND2 2.93Å; V129-N138 CarbonylContact C-O 3.56Å; V129-N138 WeakPolarHBondContact CA-O 3.4Å; V129-N138 WeakPolarHBondContact CG1-O 3.37Å; S130-N138 PolarHBondContact N-O 3.1Å; S130-N138 PolarHBondContact O-N 3.45Å |
| 139 | N | 98 | Very high | 91.4 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 152.7 | 166.8 | -70.4 | 112.6 | 0 | 0 | 0 | 109.8 | Q112 Y113 L123 D124 P128 | Q112-N139 CarbonylContact C-O 3.54Å; Q112-N139 VanDerWaalsContact CA-O 3.29Å; Q112-N139 WeakPolarHBondContact CA-O 3.41Å; Y113-N139 HydrophobicContact CD1-CB 3.94Å; Y113-N139 HydrophobicContact CD2-CB 4.04Å; Y113-N139 HydrophobicContact CE1-CB 3.49Å; Y113-N139 VanDerWaalsContact CE1-CB 3.49Å; Y113-N139 HydrophobicContact CE2-CB 3.59Å; Y113-N139 HydrophobicContact CG-CB 4.21Å; Y113-N139 PolarHBondContact N-O 3.05Å; Y113-N139 PolarHBondContact O-N 3.35Å; L123-N139 VanDerWaalsContact CA-OD1 3.31Å; L123-N139 WeakPolarHBondContact CA-OD1 3.42Å; L123-N139 WeakPolarHBondContact CD2-OD1 3.5Å; D124-N139 PolarHBondContact N-OD1 3.05Å; D124-N139 PolarHBondContact O-ND2 2.85Å; P128-N139 CarbonylContact O-C 3.58Å; P128-N139 VanDerWaalsContact O-CA 3.26Å; P128-N139 WeakPolarHBondContact O-CA 3.26Å; P128-N139 PolarHBondContact O-ND2 3.08Å |
| 140 | V | 97.5 | Very high | 90.6 | Very high | 25 Ų | 25 | 68.8 Ų | 68.8 | 15% | 0.152 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 138.9 | -179.8 | 62.1 | 0 | 0 | 0 | 0 | 110.6 | E110 H111 P128 | E110-V140 HydrophobicContact CG-CG2 3.33Å; H111-V140 WeakPolarHBondContact O-CA 3.38Å; P128-V140 HydrophobicContact CB-CG1 3.61Å; P128-V140 PolarHBondContact O-N 3.21Å |
| 141 | I | 96.5 | Very high | 89.9 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138.9 | 172.9 | -172.9 | 163.3 | 0 | 0 | 0 | 109.3 | T65 F67 E110 H111 Y113 | T65-I141 HydrophobicContact CG2-CD1 3.61Å; F67-I141 HydrophobicContact CE1-CG2 4.05Å; F67-I141 HydrophobicContact CZ-CG2 3.99Å; E110-I141 WeakPolarHBondContact CA-O 3.43Å; H111-I141 HydrophobicContact CB-CG2 3.96Å; H111-I141 PolarHBondContact N-O 3.18Å; H111-I141 PolarHBondContact O-N 3.07Å; Y113-I141 HydrophobicContact CD1-CG2 4.21Å; Y113-I141 HydrophobicContact CE1-CB 4.11Å; Y113-I141 HydrophobicContact CE1-CG2 4.16Å |
| 142 | Q | 95.3 | Very high | 89.2 | Confident | 94 Ų | 94 | 71.8 Ų | 71.8 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113.6 | 173.9 | -175.6 | 66.2 | 35.6 | 0 | 0 | 108.6 | G109 K144 | G109-Q142 VanDerWaalsContact C-NE2 3.33Å; Q142-K144 HydrophobicContact CG-CG 4.05Å |
| 143 | V | 94.2 | Very high | 88.7 | Confident | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.024 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 119.7 | 179.1 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | V63 T65 L106 L108 G109 F148 | V63-V143 HydrophobicContact CG2-CG1 3.28Å; T65-V143 HydrophobicContact CG2-CG2 4.33Å; L106-V143 HydrophobicContact CB-CG2 4.18Å; L106-V143 HydrophobicContact CD1-CG2 4.1Å; L108-V143 HydrophobicContact CD2-CG1 4.04Å; G109-V143 PolarHBondContact N-O 3.11Å; G109-V143 PolarHBondContact O-N 3.08Å; V143-F148 HydrophobicContact CG1-CE2 4.09Å; V143-F148 HydrophobicContact CG1-CZ 4.45Å |
| 144 | K | 89.7 | Confident | 88.3 | Confident | 110 Ų | 110 | 69 Ų | 69 | 48% | 0.478 | 38% | 0.378 | S | S | . | . | trans | -120.8 | 155.7 | -178.5 | -58 | 177.9 | -174.5 | 172.9 | 0 | 111 | Q142 S146 D147 F148 | Q142-K144 HydrophobicContact CG-CG 4.05Å; K144-S146 WeakPolarHBondContact CB-OG 3.32Å; K144-S146 PolarHBondContact O-N 3.45Å; K144-D147 PolarHBondContact N-OD2 3.1Å; K144-D147 WeakPolarHBondContact O-CB 3.43Å; K144-D147 PolarHBondContact O-N 2.86Å; K144-F148 VanDerWaalsContact O-CD2 3.31Å; K144-F148 WeakPolarHBondContact O-CD2 3.36Å; K144-F148 WeakPolarHBondContact O-CE2 3.35Å | ||
| 145 | E | 85.5 | Confident | 87.8 | Confident | 140 Ų | 140 | 66.3 Ų | 66.3 | 65% | 0.654 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -61.4 | -35.5 | 173.6 | -169.7 | 176 | -171.4 | 0 | 0 | 111.9 | L108 D147 F148 | L108-E145 HydrophobicContact CD1-CB 4.18Å; E145-D147 PolarHBondContact O-N 3.39Å; E145-D147 VanDerWaalsContact O-N 3.1Å; E145-F148 PolarHBondContact O-N 2.8Å; E145-F148 VanDerWaalsContact O-N 3.15Å |
| 146 | S | 80.6 | Confident | 87.1 | Confident | 25 Ų | 25 | 68.2 Ų | 68.2 | 18% | 0.175 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -57.5 | -24.1 | 177 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | K144 F148 A153 | K144-S146 WeakPolarHBondContact CB-OG 3.32Å; K144-S146 PolarHBondContact O-N 3.45Å; S146-F148 PolarHBondContact O-N 3Å; S146-A153 PolarHBondContact O-N 3.5Å |
| 147 | D | 78.7 | Confident | 86.5 | Confident | 79 Ų | 79 | 69.6 Ų | 69.6 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -75.3 | -12.9 | -175.9 | -54.4 | -24.7 | 0 | 0 | 0 | 111.8 | K144 E145 | K144-D147 PolarHBondContact N-OD2 3.1Å; K144-D147 WeakPolarHBondContact O-CB 3.43Å; K144-D147 PolarHBondContact O-N 2.86Å; E145-D147 PolarHBondContact O-N 3.39Å; E145-D147 VanDerWaalsContact O-N 3.1Å |
| 148 | F | 79.4 | Confident | 85.8 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 37% | 0.373 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -14.2 | -176 | -60.9 | -82.4 | 0 | 0 | 0 | 113.6 | V63 P64 V143 K144 E145 S146 | V63-F148 HydrophobicContact CB-CD1 4.04Å; V63-F148 HydrophobicContact CB-CD2 3.94Å; V63-F148 HydrophobicContact CB-CE1 3.57Å; V63-F148 HydrophobicContact CB-CE2 3.48Å; V63-F148 VanDerWaalsContact CB-CE2 3.48Å; V63-F148 HydrophobicContact CB-CG 4.22Å; V63-F148 HydrophobicContact CB-CZ 3.29Å; V63-F148 HydrophobicContact CG1-CD1 4.46Å; V63-F148 HydrophobicContact CG1-CD2 4.03Å; V63-F148 HydrophobicContact CG1-CE1 4.45Å; V63-F148 HydrophobicContact CG1-CE2 4.05Å; V63-F148 HydrophobicContact CG1-CG 4.27Å; V63-F148 HydrophobicContact CG1-CZ 4.27Å; V63-F148 HydrophobicContact CG2-CD2 3.97Å; V63-F148 HydrophobicContact CG2-CE1 4.04Å; V63-F148 HydrophobicContact CG2-CE2 3.16Å; V63-F148 HydrophobicContact CG2-CZ 3.21Å; P64-F148 HydrophobicContact CG-CE1 4.14Å; P64-F148 WeakPolarHBondContact O-CE1 3.5Å; V143-F148 HydrophobicContact CG1-CE2 4.09Å; V143-F148 HydrophobicContact CG1-CZ 4.45Å; K144-F148 VanDerWaalsContact O-CD2 3.31Å; K144-F148 WeakPolarHBondContact O-CD2 3.36Å; K144-F148 WeakPolarHBondContact O-CE2 3.35Å; E145-F148 PolarHBondContact O-N 2.8Å; E145-F148 VanDerWaalsContact O-N 3.15Å; S146-F148 PolarHBondContact O-N 3Å |
| 149 | D | 81.7 | Confident | 85 | Confident | 75 Ų | 75 | 72.1 Ų | 72.1 | 40% | 0.401 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -88.3 | 111.9 | 166.2 | 179.1 | 61.8 | 0 | 0 | 0 | 109.8 | L151 T152 A153 | D149-L151 VanDerWaalsContact C-N 3.25Å; D149-L151 PolarHBondContact O-N 3.46Å; D149-T152 PolarHBondContact O-N 3.01Å; D149-T152 VanDerWaalsContact O-N 3.12Å; D149-T152 WeakPolarHBondContact OD2-CB 3.46Å; D149-T152 PolarHBondContact OD2-N 2.8Å; D149-T152 PolarHBondContact OD2-OG1 2.91Å; D149-A153 WeakPolarHBondContact O-CB 3.3Å; D149-A153 PolarHBondContact O-N 3.25Å |
| 150 | V | 81.3 | Confident | 83.9 | Confident | 103 Ų | 103 | 77.2 Ų | 77.2 | 62% | 0.624 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -57.7 | -39.2 | -172.6 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | L154 | V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 HydrophobicContact CG1-CG 4.46Å; V150-L154 WeakPolarHBondContact O-CB 3.48Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 2.72Å |
| 151 | L | 79.2 | Confident | 82.7 | Confident | 132 Ų | 132 | 80.5 Ų | 80.5 | 69% | 0.691 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -70.1 | -43.2 | -179.7 | -62.5 | 178.6 | 0 | 0 | 0 | 111 | D149 L154 S155 | D149-L151 VanDerWaalsContact C-N 3.25Å; D149-L151 PolarHBondContact O-N 3.46Å; L151-L154 PolarHBondContact O-N 3.12Å; L151-S155 WeakPolarHBondContact O-CB 3.38Å; L151-S155 PolarHBondContact O-N 3.03Å |
| 152 | T | 81.3 | Confident | 81.1 | Confident | 50 Ų | 50 | 86.8 Ų | 86.8 | 31% | 0.307 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 177.4 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | D149 L154 S155 H156 | D149-T152 PolarHBondContact O-N 3.01Å; D149-T152 VanDerWaalsContact O-N 3.12Å; D149-T152 WeakPolarHBondContact OD2-CB 3.46Å; D149-T152 PolarHBondContact OD2-N 2.8Å; D149-T152 PolarHBondContact OD2-OG1 2.91Å; T152-L154 PolarHBondContact O-N 3.43Å; T152-S155 WeakPolarHBondContact CA-OG 3.18Å; T152-S155 PolarHBondContact O-N 3.17Å; T152-S155 VanDerWaalsContact O-N 3.16Å; T152-S155 PolarHBondContact O-OG 3.3Å; T152-H156 PolarHBondContact O-CD2 3.42Å; T152-H156 PolarHBondContact O-N 2.91Å |
| 153 | A | 80.3 | Confident | 79.1 | Confident | 22 Ų | 22 | 84.6 Ų | 84.6 | 18% | 0.182 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -58.3 | -48.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S146 D149 S155 H156 D157 | S146-A153 PolarHBondContact O-N 3.5Å; D149-A153 WeakPolarHBondContact O-CB 3.3Å; D149-A153 PolarHBondContact O-N 3.25Å; A153-S155 VanDerWaalsContact C-N 3.29Å; A153-S155 PolarHBondContact O-N 2.95Å; A153-H156 PolarHBondContact O-N 2.97Å; A153-D157 PolarHBondContact O-N 3.49Å |
| 154 | L | 82.7 | Confident | 76.9 | Confident | 106 Ų | 106 | 89.6 Ų | 89.6 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.3 | -37.5 | 175.7 | -73.1 | 172.6 | 0 | 0 | 0 | 112.3 | V150 L151 T152 D157 M158 | V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 HydrophobicContact CG1-CG 4.46Å; V150-L154 WeakPolarHBondContact O-CB 3.48Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 2.72Å; L151-L154 PolarHBondContact O-N 3.12Å; T152-L154 PolarHBondContact O-N 3.43Å; L154-D157 PolarHBondContact O-N 2.91Å; L154-M158 VanDerWaalsContact O-CB 3.32Å; L154-M158 WeakPolarHBondContact O-CB 3.35Å; L154-M158 PolarHBondContact O-N 2.93Å |
| 155 | S | 82.4 | Confident | 74.8 | Confident | 65 Ų | 65 | 90.5 Ų | 90.5 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 176.9 | 78.6 | 0 | 0 | 0 | 0 | 112.3 | L151 T152 A153 M158 A159 | L151-S155 WeakPolarHBondContact O-CB 3.38Å; L151-S155 PolarHBondContact O-N 3.03Å; T152-S155 WeakPolarHBondContact CA-OG 3.18Å; T152-S155 PolarHBondContact O-N 3.17Å; T152-S155 VanDerWaalsContact O-N 3.16Å; T152-S155 PolarHBondContact O-OG 3.3Å; A153-S155 VanDerWaalsContact C-N 3.29Å; A153-S155 PolarHBondContact O-N 2.95Å; S155-M158 PolarHBondContact O-N 3.35Å; S155-A159 WeakPolarHBondContact O-CB 3.16Å; S155-A159 PolarHBondContact O-N 3.16Å |
| 156 | H | 78.2 | Confident | 72.7 | Confident | 90 Ų | 90 | 88.8 Ų | 88.8 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 175.2 | -82.7 | -61.8 | 0 | 0 | 0 | 111.8 | T152 A153 M158 A159 N160 | T152-H156 PolarHBondContact O-CD2 3.42Å; T152-H156 PolarHBondContact O-N 2.91Å; A153-H156 PolarHBondContact O-N 2.97Å; H156-M158 VanDerWaalsContact C-N 3.34Å; H156-A159 PolarHBondContact O-N 2.91Å; H156-N160 VanDerWaalsContact O-CB 3.3Å; H156-N160 WeakPolarHBondContact O-CB 3.36Å; H156-N160 PolarHBondContact O-N 3.39Å; H156-N160 PolarHBondContact O-ND2 3.39Å |
| 157 | D | 80.6 | Confident | 70.7 | Confident | 103 Ų | 103 | 99.6 Ų | 99.6 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -40.1 | 175.3 | -73.9 | -14.2 | 0 | 0 | 0 | 111.6 | A153 L154 A159 S161 | A153-D157 PolarHBondContact O-N 3.49Å; L154-D157 PolarHBondContact O-N 2.91Å; D157-A159 VanDerWaalsContact C-N 3.34Å; D157-A159 PolarHBondContact O-N 2.67Å; D157-S161 WeakPolarHBondContact O-CB 3.43Å; D157-S161 PolarHBondContact O-N 3.42Å; D157-S161 PolarHBondContact O-OG 3.47Å |
| 158 | M | 80.8 | Confident | 68.5 | Low | 110 Ų | 110 | 101 Ų | 101 | 54% | 0.542 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.8 | -35.1 | 174.8 | -164.1 | -179.4 | -153.6 | 0 | 0 | 112.2 | L154 S155 H156 S161 R162 | L154-M158 VanDerWaalsContact O-CB 3.32Å; L154-M158 WeakPolarHBondContact O-CB 3.35Å; L154-M158 PolarHBondContact O-N 2.93Å; S155-M158 PolarHBondContact O-N 3.35Å; H156-M158 VanDerWaalsContact C-N 3.34Å; M158-S161 WeakPolarHBondContact CA-OG 2.94Å; M158-S161 PolarHBondContact O-OG 3.01Å; M158-R162 WeakPolarHBondContact O-CG 3.34Å |
| 159 | A | 80.1 | Confident | 66.4 | Low | 55 Ų | 55 | 102.1 Ų | 102.1 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -73.8 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S155 H156 D157 S161 R162 G163 | S155-A159 WeakPolarHBondContact O-CB 3.16Å; S155-A159 PolarHBondContact O-N 3.16Å; H156-A159 PolarHBondContact O-N 2.91Å; D157-A159 VanDerWaalsContact C-N 3.34Å; D157-A159 PolarHBondContact O-N 2.67Å; A159-S161 VanDerWaalsContact C-N 3.33Å; A159-S161 PolarHBondContact O-N 3.49Å; A159-R162 PolarHBondContact O-N 3.22Å; A159-R162 VanDerWaalsContact O-N 3.1Å; A159-G163 PolarHBondContact O-N 3.34Å |
| 160 | N | 75.5 | Confident | 64.1 | Low | 106 Ų | 106 | 104.4 Ų | 104.4 | 57% | 0.567 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.1 | -36.3 | 179.9 | -71.9 | -20.1 | 0 | 0 | 0 | 111.8 | H156 R162 G163 | H156-N160 VanDerWaalsContact O-CB 3.3Å; H156-N160 WeakPolarHBondContact O-CB 3.36Å; H156-N160 PolarHBondContact O-N 3.39Å; H156-N160 PolarHBondContact O-ND2 3.39Å; N160-R162 PolarHBondContact O-N 3.21Å; N160-G163 PolarHBondContact O-N 3.43Å |
| 161 | S | 72.6 | Confident | 61.7 | Low | 94 Ų | 94 | 104.2 Ų | 104.2 | 66% | 0.657 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.2 | -23.9 | 173.7 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | D157 M158 A159 | D157-S161 WeakPolarHBondContact O-CB 3.43Å; D157-S161 PolarHBondContact O-N 3.42Å; D157-S161 PolarHBondContact O-OG 3.47Å; M158-S161 WeakPolarHBondContact CA-OG 2.94Å; M158-S161 PolarHBondContact O-OG 3.01Å; A159-S161 VanDerWaalsContact C-N 3.33Å; A159-S161 PolarHBondContact O-N 3.49Å |
| 162 | R | 63.9 | Low | 59.4 | Low | 174 Ų | 174 | 106.6 Ų | 106.6 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -91.7 | -28.1 | 175 | -70.6 | 177.6 | 173.3 | -178.4 | -2.2 | 113.7 | M158 A159 N160 | M158-R162 WeakPolarHBondContact O-CG 3.34Å; A159-R162 PolarHBondContact O-N 3.22Å; A159-R162 VanDerWaalsContact O-N 3.1Å; N160-R162 PolarHBondContact O-N 3.21Å |
| 163 | G | 53.4 | Low | 57.2 | Low | 49 Ų | 49 | 109.2 Ų | 109.2 | 51% | 0.505 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -91.5 | -3.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | A159 N160 E165 | A159-G163 PolarHBondContact O-N 3.34Å; N160-G163 PolarHBondContact O-N 3.43Å; G163-E165 VanDerWaalsContact C-N 3.33Å; G163-E165 PolarHBondContact O-N 2.8Å |
| 164 | S | 48 | Very low | 55 | Low | 108 Ų | 108 | 114.3 Ų | 114.3 | 76% | 0.755 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -81.9 | -1.7 | -174 | -162.6 | 0 | 0 | 0 | 0 | 115 | ||
| 165 | E | 44.5 | Very low | 52.6 | Low | 130 Ų | 130 | 114.9 Ų | 114.9 | 61% | 0.607 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -117.9 | -8.7 | -174.7 | -66.3 | -163.6 | 150 | 0 | 0 | 117.3 | G163 | G163-E165 VanDerWaalsContact C-N 3.33Å; G163-E165 PolarHBondContact O-N 2.8Å |
| 166 | D | 40.8 | Very low | 50.3 | Low | 104 Ų | 104 | 120.7 Ų | 120.7 | 56% | 0.556 | 67% | 0.673 | S | S | * | * | trans | -139.4 | 72.9 | -175.9 | -86 | -39.2 | 0 | 0 | 0 | 114.6 | G228 | D166-G228 WeakPolarHBondContact OD2-CA 3.31Š| ||
| 167 | R | 38.9 | Very low | 48.2 | Very low | 252 Ų | 252 | 124.6 Ų | 124.6 | 95% | 0.951 | 69% | 0.692 | S | S | * | * | trans | -112.2 | 18.1 | 167.9 | -95 | -169.8 | 171.3 | -168.9 | -1.4 | 114.9 | ||||
| 168 | S | 33.7 | Very low | 46.3 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | -133.2 | 69.9 | 178.2 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 169 | S | 34 | Very low | 44 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | trans | -161 | 79.6 | 156 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 170 | V | 33 | Very low | 42.2 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 74% | 0.739 | 73% | 0.732 | S | S | * | * | 47.2 | 100.4 | 105.3 | -178 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 171 | S | 32.2 | Very low | 40.4 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | 24.3 | 114.8 | 124.1 | -47.6 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 172 | Q | 30.9 | Very low | 38.7 | Very low | 182 Ų | 182 | 135.7 Ų | 135.7 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | 155.8 | 81.5 | 127.2 | -84.8 | 171.5 | 10.1 | 0 | 0 | 109.3 | I174 | Q172-I174 PolarHBondContact O-N 2.57Š| |||
| 173 | A | 34 | Very low | 37.7 | Very low | 105 Ų | 105 | 133 Ų | 133 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | trans | -81 | 103.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 174 | I | 34 | Very low | 36.9 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | trans | -63.3 | 125.5 | 170.1 | -61.3 | 176.8 | 0 | 0 | 0 | 108.3 | Q172 F176 | Q172-I174 PolarHBondContact O-N 2.57Å; I174-F176 HydrophobicContact CG2-CD2 4.47Å; I174-F176 PolarHBondContact O-N 3.12Å | ||
| 175 | P | 32.9 | Very low | 36.9 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | -79.5 | 111.5 | 169.2 | 2.2 | 14.7 | 0 | 0 | 0 | 108.8 | Q177 | P175-Q177 PolarHBondContact O-N 2.82Š| ||
| 176 | F | 34.8 | Very low | 36.4 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | -71 | 117.8 | 166.8 | -95.8 | -90.3 | 0 | 0 | 0 | 109.6 | I174 | I174-F176 HydrophobicContact CG2-CD2 4.47Å; I174-F176 PolarHBondContact O-N 3.12Å | ||
| 177 | Q | 33.3 | Very low | 35.9 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -71.1 | 125.1 | 172.3 | -62.9 | -165.2 | -74.5 | 0 | 0 | 110.3 | P175 | P175-Q177 PolarHBondContact O-N 2.82Š| ||
| 178 | I | 40.6 | Very low | 35.8 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 80% | 0.795 | 79% | 0.786 | S | S | * | * | trans | -110.3 | 113.3 | 156 | -59.7 | -179.9 | 0 | 0 | 0 | 106 | ||||
| 179 | N | 33.7 | Very low | 35.9 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -69.9 | 122.9 | 171 | -72.4 | -31 | 0 | 0 | 0 | 108.7 | ||||
| 180 | D | 42.1 | Very low | 36 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -153.2 | 143.9 | 149.9 | -89 | -40 | 0 | 0 | 0 | 110.2 | ||||
| 181 | G | 37.3 | Very low | 36.4 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | -78 | 143.9 | -151.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 182 | K | 36.4 | Very low | 36.3 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | trans | 47.9 | 96.5 | 131.6 | -162.9 | 78.1 | -178.5 | 158.9 | 0 | 118.3 | D184 | K182-D184 IonicContact NZ-OD2 3.14Å; K182-D184 PolarHBondContact NZ-OD2 2.79Å; K182-D184 VanDerWaalsContact NZ-OD2 3.14Å | ||
| 183 | S | 43 | Very low | 36.8 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -161.1 | 124.4 | 133.3 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 184 | D | 37.7 | Very low | 36.9 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -75.8 | 129.4 | -176.1 | -63.7 | -64.2 | 0 | 0 | 0 | 112.7 | K182 | K182-D184 IonicContact NZ-OD2 3.14Å; K182-D184 PolarHBondContact NZ-OD2 2.79Å; K182-D184 VanDerWaalsContact NZ-OD2 3.14Å | ||
| 185 | A | 46.2 | Very low | 36.9 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -170 | 127.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 186 | P | 34.3 | Very low | 37.1 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -100.9 | 145 | 177.5 | 36 | -27.7 | 0 | 0 | 0 | 112.3 | ||||
| 187 | G | 31.4 | Very low | 37.4 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 124.1 | 101.6 | 153.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 188 | A | 37.3 | Very low | 37.7 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | -177.2 | 117.8 | 129 | 0 | 0 | 0 | 0 | 0 | 108.2 | E190 | A188-E190 PolarHBondContact O-N 3.31Š| |||
| 189 | S | 35.8 | Very low | 37.8 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -66.7 | 106.1 | 170.6 | 49.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 190 | E | 36 | Very low | 38.3 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -78.8 | 124.6 | 166.2 | -88.3 | -178.7 | 134.9 | 0 | 0 | 109.6 | A188 | A188-E190 PolarHBondContact O-N 3.31Š| ||
| 191 | A | 40 | Very low | 38.6 | Very low | 90 Ų | 90 | 122.2 Ų | 122.2 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -61 | 131.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | I193 | A191-I193 PolarHBondContact O-N 2.64Š| ||
| 192 | E | 31.5 | Very low | 39.5 | Very low | 192 Ų | 192 | 122.9 Ų | 122.9 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -58.4 | 103.9 | 175.3 | -140.4 | 173.5 | 159.4 | 0 | 0 | 109.8 | P194 | E192-P194 WeakPolarHBondContact O-CD 3.48Š| ||
| 193 | I | 40.3 | Very low | 40.8 | Very low | 150 Ų | 150 | 116.6 Ų | 116.6 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -73.4 | 123.1 | 171.5 | -58.7 | 175.7 | 0 | 0 | 0 | 107.1 | A191 H195 | A191-I193 PolarHBondContact O-N 2.64Å; I193-H195 PolarHBondContact O-N 2.85Å | ||
| 194 | P | 36.1 | Very low | 41.9 | Very low | 109 Ų | 109 | 116.1 Ų | 116.1 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | trans | -60.3 | 122 | 177.2 | -20.3 | 31.4 | 0 | 0 | 0 | 110.5 | E192 V196 | E192-P194 WeakPolarHBondContact O-CD 3.48Å; P194-V196 PolarHBondContact O-N 2.96Å | ||
| 195 | H | 34 | Very low | 43.4 | Very low | 192 Ų | 192 | 113.5 Ų | 113.5 | 89% | 0.889 | 75% | 0.754 | S | S | * | * | trans | -57.7 | 103.3 | 172.3 | -92.3 | -65.4 | 0 | 0 | 0 | 110.2 | I193 P197 | I193-H195 PolarHBondContact O-N 2.85Å; H195-P197 WeakPolarHBondContact O-CD 3.35Å | ||
| 196 | V | 36.5 | Very low | 44.6 | Very low | 129 Ų | 129 | 111.9 Ų | 111.9 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | trans | -72.1 | 119.1 | 166.3 | -171.6 | 0 | 0 | 0 | 0 | 107 | P194 S198 | P194-V196 PolarHBondContact O-N 2.96Å; V196-S198 PolarHBondContact O-N 2.71Å; V196-S198 VanDerWaalsContact O-N 3.1Å | ||
| 197 | P | 42.1 | Very low | 46.8 | Very low | 100 Ų | 100 | 114.7 Ų | 114.7 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | trans | -63.1 | 119.3 | 176.9 | 23.7 | -29.7 | 0 | 0 | 0 | 108.4 | H195 S199 | H195-P197 WeakPolarHBondContact O-CD 3.35Å; P197-S199 PolarHBondContact O-N 2.85Å; P197-S199 PolarHBondContact O-OG 3.3Å | ||
| 198 | S | 38.7 | Very low | 49.1 | Very low | 111 Ų | 111 | 120.7 Ų | 120.7 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -60.2 | 84.1 | 177.6 | -173.4 | 0 | 0 | 0 | 0 | 110.1 | V196 G200 | V196-S198 PolarHBondContact O-N 2.71Å; V196-S198 VanDerWaalsContact O-N 3.1Å; S198-G200 PolarHBondContact O-N 3.41Å | ||
| 199 | S | 43.2 | Very low | 51.3 | Low | 113 Ų | 113 | 120.2 Ų | 120.2 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 11.3 | -177.3 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | P197 | P197-S199 PolarHBondContact O-N 2.85Å; P197-S199 PolarHBondContact O-OG 3.3Å |
| 200 | G | 44 | Very low | 53.7 | Low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -7.2 | -172 | 0 | 0 | 0 | 0 | 0 | 115.7 | S198 G202 | S198-G200 PolarHBondContact O-N 3.41Å; G200-G202 PolarHBondContact O-N 3.31Å |
| 201 | S | 50.1 | Low | 56.1 | Low | 73 Ų | 73 | 121.5 Ų | 121.5 | 51% | 0.51 | 72% | 0.718 | S | S | . | * | trans | -89.9 | 101.4 | 178.1 | -171.8 | 0 | 0 | 0 | 0 | 109.2 | S203 | S201-S203 WeakPolarHBondContact CB-OG 3.45Å; S201-S203 PolarHBondContact O-N 2.93Å; S201-S203 PolarHBondContact O-OG 2.94Å; S201-S203 WeakPolarHBondContact OG-CB 3.26Å; S201-S203 PolarHBondContact OG-OG 3.34Å | ||
| 202 | G | 56.1 | Low | 58 | Low | 87 Ų | 87 | 124.4 Ų | 124.4 | 90% | 0.897 | 72% | 0.719 | S | S | * | * | trans | -63.6 | 15.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G200 | G200-G202 PolarHBondContact O-N 3.31Š| ||
| 203 | S | 63.7 | Low | 60.4 | Low | 43 Ų | 43 | 117.3 Ų | 117.3 | 30% | 0.301 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -63.6 | 139.3 | 168.1 | 49.9 | 0 | 0 | 0 | 0 | 109.6 | S201 | S201-S203 WeakPolarHBondContact CB-OG 3.45Å; S201-S203 PolarHBondContact O-N 2.93Å; S201-S203 PolarHBondContact O-OG 2.94Å; S201-S203 WeakPolarHBondContact OG-CB 3.26Å; S201-S203 PolarHBondContact OG-OG 3.34Å |
| 204 | P | 64.7 | Low | 62.3 | Low | 110 Ų | 110 | 114.5 Ų | 114.5 | 71% | 0.714 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 149 | 170.4 | -25.1 | 33.4 | 0 | 0 | 0 | 111.5 | G206 | P204-G206 PolarHBondContact O-N 3.15Š|
| 205 | P | 68.5 | Low | 64.4 | Low | 81 Ų | 81 | 112.6 Ų | 112.6 | 53% | 0.526 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -59.4 | 139.7 | 175.8 | 25.8 | -33.1 | 0 | 0 | 0 | 110.6 | P233 | P205-P233 HydrophobicContact CG-CG 3.74Š|
| 206 | G | 71.6 | Confident | 66.2 | Low | 66 Ų | 66 | 107.9 Ų | 107.9 | 68% | 0.68 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 144.2 | 160.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P204 | P204-G206 PolarHBondContact O-N 3.15Š|
| 207 | E | 81 | Confident | 67.9 | Low | 194 Ų | 194 | 106.4 Ų | 106.4 | 91% | 0.907 | 65% | 0.649 | S | S | * | * | trans | -87.9 | 137.8 | 170.6 | -67.8 | -170.9 | 162.7 | 0 | 0 | 110.4 | S209 | E207-S209 PolarHBondContact O-N 3.1Š| ||
| 208 | Y | 81 | Confident | 69.3 | Low | 207 Ų | 207 | 105.2 Ų | 105.2 | 81% | 0.812 | 64% | 0.635 | S | S | * | * | trans | -66.6 | 123.7 | 169.5 | -72.3 | -88.8 | 0 | 0 | 0 | 109 | ||||
| 209 | S | 82.4 | Confident | 70.6 | Confident | 86 Ų | 86 | 103.1 Ų | 103.1 | 60% | 0.601 | 62% | 0.624 | S | S | * | * | trans | -119.2 | 158.9 | 175.5 | 85 | 0 | 0 | 0 | 0 | 111.1 | E207 F211 | E207-S209 PolarHBondContact O-N 3.1Å; S209-F211 VanDerWaalsContact C-N 3.33Å; S209-F211 PolarHBondContact OG-N 3.22Å | ||
| 210 | R | 86.7 | Confident | 71.6 | Confident | 247 Ų | 247 | 102.8 Ų | 102.8 | 93% | 0.932 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -89.8 | 1.3 | 171 | 65.4 | -179 | -67.6 | 177.9 | -0.7 | 113.1 | ||
| 211 | F | 85 | Confident | 72.2 | Confident | 98 Ų | 98 | 102 Ų | 102 | 43% | 0.43 | 60% | 0.596 | S | S | . | * | trans | -78.5 | 126.2 | -178.9 | 177.6 | -94.8 | 0 | 0 | 0 | 109.4 | S209 P213 Q223 | S209-F211 VanDerWaalsContact C-N 3.33Å; S209-F211 PolarHBondContact OG-N 3.22Å; F211-P213 HydrophobicContact CE1-CB 4.11Å; F211-Q223 VanDerWaalsContact CD1-NE2 3.29Å | ||
| 212 | I | 81.3 | Confident | 72.3 | Confident | 150 Ų | 150 | 103 Ų | 103 | 77% | 0.769 | 60% | 0.6 | S | S | * | * | trans | -104.3 | 114.4 | 175.7 | -57.7 | 174.9 | 0 | 0 | 0 | 106.7 | ||||
| 213 | P | 80.8 | Confident | 72.1 | Confident | 43 Ų | 43 | 104.6 Ų | 104.6 | 28% | 0.279 | 59% | 0.585 | S | S | . | * | trans | -63.4 | 143 | 179.9 | 23.3 | -29.1 | 0 | 0 | 0 | 110.6 | F211 T215 E218 A219 | F211-P213 HydrophobicContact CE1-CB 4.11Å; P213-T215 PolarHBondContact O-N 3.01Å; P213-E218 HydrophobicContact CB-CB 3.99Å; P213-E218 HydrophobicContact CB-CG 4.25Å; P213-A219 HydrophobicContact CB-CB 4.21Å; P213-A219 HydrophobicContact CG-CB 3.61Å | ||
| 214 | A | 81.1 | Confident | 70.9 | Confident | 92 Ų | 92 | 109.5 Ų | 109.5 | 76% | 0.76 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -71.1 | -25.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E218 | A214-E218 WeakPolarHBondContact CB-OE2 3.35Å; A214-E218 PolarHBondContact N-OE2 3.37Å |
| 215 | T | 79.1 | Confident | 69.8 | Low | 69 Ų | 69 | 106.6 Ų | 106.6 | 42% | 0.423 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -135 | 150.8 | 173.6 | 66.9 | 0 | 0 | 0 | 0 | 110.9 | P213 L217 E218 | P213-T215 PolarHBondContact O-N 3.01Å; T215-L217 PolarHBondContact O-N 3.45Å; T215-L217 VanDerWaalsContact O-N 3.11Å; T215-E218 WeakPolarHBondContact O-CB 3.39Å; T215-E218 PolarHBondContact O-N 2.81Å; T215-E218 PolarHBondContact OG1-N 2.89Å |
| 216 | P | 73.3 | Confident | 68.2 | Low | 92 Ų | 92 | 109.1 Ų | 109.1 | 60% | 0.597 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -57.5 | -26.4 | 175.1 | -25.2 | 34.2 | 0 | 0 | 0 | 113.8 | A219 L246 | P216-A219 WeakPolarHBondContact O-CB 3.45Å; P216-A219 PolarHBondContact O-N 2.81Å; P216-L246 HydrophobicContact CB-CD2 3.96Å |
| 217 | L | 72.1 | Confident | 66.4 | Low | 98 Ų | 98 | 109.2 Ų | 109.2 | 51% | 0.513 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70 | -32.6 | 178.2 | -169.6 | 64.6 | 0 | 0 | 0 | 112.5 | T215 A219 L220 S221 L246 | T215-L217 PolarHBondContact O-N 3.45Å; T215-L217 VanDerWaalsContact O-N 3.11Å; L217-A219 VanDerWaalsContact C-N 3.29Å; L217-A219 PolarHBondContact O-N 2.83Å; L217-L220 PolarHBondContact O-N 2.83Å; L217-S221 PolarHBondContact O-N 2.85Å; L217-S221 VanDerWaalsContact O-N 3.1Å; L217-S221 PolarHBondContact O-OG 2.9Å; L217-L246 HydrophobicContact CB-CD2 4.3Å; L217-L246 HydrophobicContact CD1-CD2 4.44Å |
| 218 | E | 69.9 | Low | 64.2 | Low | 76 Ų | 76 | 101.7 Ų | 101.7 | 36% | 0.355 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.2 | -29.7 | 176.5 | -169.3 | 176.1 | -160.7 | 0 | 0 | 111.4 | P213 A214 T215 L220 S221 | P213-E218 HydrophobicContact CB-CB 3.99Å; P213-E218 HydrophobicContact CB-CG 4.25Å; A214-E218 WeakPolarHBondContact CB-OE2 3.35Å; A214-E218 PolarHBondContact N-OE2 3.37Å; T215-E218 WeakPolarHBondContact O-CB 3.39Å; T215-E218 PolarHBondContact O-N 2.81Å; T215-E218 PolarHBondContact OG1-N 2.89Å; E218-L220 VanDerWaalsContact C-N 3.3Å; E218-L220 PolarHBondContact O-N 2.97Å; E218-S221 PolarHBondContact O-N 3.06Å |
| 219 | A | 66 | Low | 62.1 | Low | 66 Ų | 66 | 96.1 Ų | 96.1 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.4 | -30.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P213 P216 L217 | P213-A219 HydrophobicContact CB-CB 4.21Å; P213-A219 HydrophobicContact CG-CB 3.61Å; P216-A219 WeakPolarHBondContact O-CB 3.45Å; P216-A219 PolarHBondContact O-N 2.81Å; L217-A219 VanDerWaalsContact C-N 3.29Å; L217-A219 PolarHBondContact O-N 2.83Å |
| 220 | L | 64.5 | Low | 60.2 | Low | 107 Ų | 107 | 98.8 Ų | 98.8 | 56% | 0.56 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -89.2 | -13.7 | 178.1 | -63.9 | 174.5 | 0 | 0 | 0 | 112.3 | L217 E218 A245 | L217-L220 PolarHBondContact O-N 2.83Å; E218-L220 VanDerWaalsContact C-N 3.3Å; E218-L220 PolarHBondContact O-N 2.97Å; L220-A245 HydrophobicContact CD1-CB 4.18Å |
| 221 | S | 56.5 | Low | 58.1 | Low | 58 Ų | 58 | 91.8 Ų | 91.8 | 41% | 0.406 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -80.3 | 131.5 | 175.4 | -60.4 | 0 | 0 | 0 | 0 | 108.1 | L217 E218 Q223 | L217-S221 PolarHBondContact O-N 2.85Å; L217-S221 VanDerWaalsContact O-N 3.1Å; L217-S221 PolarHBondContact O-OG 2.9Å; E218-S221 PolarHBondContact O-N 3.06Å; S221-Q223 PolarHBondContact O-N 3.05Å |
| 222 | P | 53.6 | Low | 56.1 | Low | 92 Ų | 92 | 92 Ų | 92 | 60% | 0.597 | 60% | 0.597 | S | S | * | * | trans | -56.2 | 116.9 | 169.3 | -12.5 | 23.3 | 0 | 0 | 0 | 106.9 | T224 | P222-T224 PolarHBondContact O-N 2.83Š| ||
| 223 | Q | 50.4 | Low | 54.4 | Low | 122 Ų | 122 | 89 Ų | 89 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | trans | -58.4 | 108.7 | 174.5 | -75.1 | -137.4 | 53.1 | 0 | 0 | 106.9 | F211 S221 G225 | F211-Q223 VanDerWaalsContact CD1-NE2 3.29Å; S221-Q223 PolarHBondContact O-N 3.05Å; Q223-G225 PolarHBondContact O-N 3.48Å | ||
| 224 | T | 39.8 | Very low | 52.4 | Low | 146 Ų | 146 | 91.1 Ų | 91.1 | 90% | 0.896 | 61% | 0.608 | S | S | * | * | trans | -76.3 | 55.8 | 169.3 | 45.7 | 0 | 0 | 0 | 0 | 108.3 | P222 | P222-T224 PolarHBondContact O-N 2.83Š| ||
| 225 | G | 41.1 | Very low | 50.7 | Low | 49 Ų | 49 | 92.8 Ų | 92.8 | 51% | 0.505 | 61% | 0.608 | S | S | . | * | trans | -73.3 | 130.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | Q223 G227 | Q223-G225 PolarHBondContact O-N 3.48Å; G225-G227 PolarHBondContact O-N 2.9Å | ||
| 226 | S | 36 | Very low | 48.8 | Very low | 133 Ų | 133 | 97.9 Ų | 97.9 | 93% | 0.93 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -44 | 100.7 | 178.4 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 227 | G | 33.1 | Very low | 47.4 | Very low | 68 Ų | 68 | 99 Ų | 99 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 128.6 | 108 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G225 | G225-G227 PolarHBondContact O-N 2.9Š|
| 228 | G | 35.2 | Very low | 46 | Very low | 36 Ų | 36 | 99.9 Ų | 99.9 | 37% | 0.371 | 64% | 0.642 | S | S | . | * | trans | 80.2 | 91.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | D166 L230 | D166-G228 WeakPolarHBondContact OD2-CA 3.31Å; G228-L230 PolarHBondContact O-N 2.86Å; G228-L230 VanDerWaalsContact O-N 3.14Å | ||
| 229 | S | 36 | Very low | 45 | Very low | 91 Ų | 91 | 98.1 Ų | 98.1 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | trans | -70.4 | 100.4 | 167 | 46.6 | 0 | 0 | 0 | 0 | 110.3 | P231 | S229-P231 WeakPolarHBondContact O-CD 3.43Š| ||
| 230 | L | 42.5 | Very low | 44.3 | Very low | 142 Ų | 142 | 103.3 Ų | 103.3 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | trans | -81.6 | 122.8 | 169.9 | -82.2 | 154.4 | 0 | 0 | 0 | 110.6 | G228 S232 | G228-L230 PolarHBondContact O-N 2.86Å; G228-L230 VanDerWaalsContact O-N 3.14Å; L230-S232 PolarHBondContact O-N 2.84Å | ||
| 231 | P | 43.8 | Very low | 43.9 | Very low | 99 Ų | 99 | 102.5 Ų | 102.5 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | trans | -74.2 | 114.7 | 165.1 | 27.9 | -28.2 | 0 | 0 | 0 | 109 | S229 | S229-P231 WeakPolarHBondContact O-CD 3.43Š| ||
| 232 | S | 42.5 | Very low | 44.1 | Very low | 104 Ų | 104 | 104.3 Ų | 104.3 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | trans | -59.7 | 140.4 | 165.2 | -71.5 | 0 | 0 | 0 | 0 | 109.2 | L230 A234 | L230-S232 PolarHBondContact O-N 2.84Å; S232-A234 PolarHBondContact O-N 3.18Å | ||
| 233 | P | 45.5 | Very low | 44.5 | Very low | 85 Ų | 85 | 107.5 Ų | 107.5 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | trans | -60.4 | 116.3 | 177.1 | 26.1 | -32.3 | 0 | 0 | 0 | 107.6 | P205 V235 | P205-P233 HydrophobicContact CG-CG 3.74Å; P233-V235 PolarHBondContact O-N 3.03Å | ||
| 234 | A | 39.4 | Very low | 44.8 | Very low | 88 Ų | 88 | 107.6 Ų | 107.6 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | -55.6 | 102.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | S232 H236 | S232-A234 PolarHBondContact O-N 3.18Å; A234-H236 VanDerWaalsContact C-N 3.3Å; A234-H236 PolarHBondContact O-N 2.9Å | ||
| 235 | V | 43.6 | Very low | 45.9 | Very low | 128 Ų | 128 | 103.8 Ų | 103.8 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | trans | -59.8 | 106.3 | 157 | -176.7 | 0 | 0 | 0 | 0 | 103.7 | P233 N237 | P233-V235 PolarHBondContact O-N 3.03Å; V235-N237 PolarHBondContact O-N 2.8Å | ||
| 236 | H | 40.9 | Very low | 47.4 | Very low | 176 Ų | 176 | 105.3 Ų | 105.3 | 82% | 0.815 | 65% | 0.646 | S | S | * | * | trans | -60.6 | 78.4 | 173.9 | -109.8 | -71.1 | 0 | 0 | 0 | 108.4 | A234 | A234-H236 VanDerWaalsContact C-N 3.3Å; A234-H236 PolarHBondContact O-N 2.9Å | ||
| 237 | N | 42.9 | Very low | 49.5 | Very low | 114 Ų | 114 | 103.3 Ų | 103.3 | 61% | 0.61 | 63% | 0.628 | S | S | * | * | trans | -98.8 | 97.1 | 168.3 | -135.7 | 7.5 | 0 | 0 | 0 | 104.9 | V235 S239 | V235-N237 PolarHBondContact O-N 2.8Å; N237-S239 PolarHBondContact O-N 3.35Å | ||
| 238 | S | 43.9 | Very low | 52.1 | Low | 118 Ų | 118 | 105.3 Ų | 105.3 | 83% | 0.825 | 63% | 0.629 | S | S | * | * | trans | -68 | 40.5 | -177.1 | -62.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 239 | S | 47.2 | Very low | 54.8 | Low | 39 Ų | 39 | 109.6 Ų | 109.6 | 27% | 0.273 | 65% | 0.651 | S | S | . | * | trans | -134.8 | 103.1 | 169.7 | 60.2 | 0 | 0 | 0 | 0 | 109.4 | N237 D241 K244 | N237-S239 PolarHBondContact O-N 3.35Å; S239-D241 PolarHBondContact O-N 3.45Å; S239-K244 WeakPolarHBondContact OG-CD 3.4Å | ||
| 240 | N | 52.6 | Low | 57.6 | Low | 175 Ų | 175 | 113.2 Ų | 113.2 | 94% | 0.936 | 66% | 0.662 | S | S | * | * | trans | -66.8 | 35.1 | 173.8 | -82.2 | -20.4 | 0 | 0 | 0 | 113.5 | P242 | N240-P242 VanDerWaalsContact O-CD 3.29Å; N240-P242 WeakPolarHBondContact O-CD 3.28Å | ||
| 241 | D | 56.4 | Low | 60 | Low | 90 Ų | 90 | 111.7 Ų | 111.7 | 48% | 0.481 | 65% | 0.654 | S | S | . | * | trans | -101.7 | 100.9 | 178 | -151.4 | -23.4 | 0 | 0 | 0 | 108.6 | S239 K243 K244 | S239-D241 PolarHBondContact O-N 3.45Å; D241-K243 PolarHBondContact O-N 2.88Å; D241-K244 HydrophobicContact CB-CB 4.35Å; D241-K244 WeakPolarHBondContact O-CB 3.42Å; D241-K244 PolarHBondContact O-N 3.4Å | ||
| 242 | P | 59.8 | Low | 62.5 | Low | 95 Ų | 95 | 109.6 Ų | 109.6 | 62% | 0.617 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -19.4 | -175.8 | 23.1 | -33.3 | 0 | 0 | 0 | 112.5 | N240 | N240-P242 VanDerWaalsContact O-CD 3.29Å; N240-P242 WeakPolarHBondContact O-CD 3.28Å |
| 243 | K | 61.1 | Low | 65.1 | Low | 159 Ų | 159 | 108.7 Ų | 108.7 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -31.8 | 173.4 | -64.2 | -176.4 | -179.1 | 177.5 | 0 | 113 | D241 A245 L246 T247 | D241-K243 PolarHBondContact O-N 2.88Å; K243-A245 VanDerWaalsContact C-N 3.32Å; K243-L246 PolarHBondContact O-N 2.96Å; K243-T247 PolarHBondContact O-N 3.29Å |
| 244 | K | 58 | Low | 67.4 | Low | 124 Ų | 124 | 108 Ų | 108 | 54% | 0.539 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.7 | -25.2 | -178.2 | -147.2 | -180 | -170.3 | -175.8 | 0 | 112.3 | S239 D241 L246 T247 | S239-K244 WeakPolarHBondContact OG-CD 3.4Å; D241-K244 HydrophobicContact CB-CB 4.35Å; D241-K244 WeakPolarHBondContact O-CB 3.42Å; D241-K244 PolarHBondContact O-N 3.4Å; K244-L246 VanDerWaalsContact C-N 3.25Å; K244-L246 PolarHBondContact O-N 3.13Å; K244-T247 PolarHBondContact O-OG1 2.89Å; K244-T247 VanDerWaalsContact O-OG1 3.07Å |
| 245 | A | 63.3 | Low | 70.1 | Confident | 67 Ų | 67 | 105.2 Ų | 105.2 | 55% | 0.554 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -21.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L220 K243 | L220-A245 HydrophobicContact CD1-CB 4.18Å; K243-A245 VanDerWaalsContact C-N 3.32Å |
| 246 | L | 71.2 | Confident | 72.6 | Confident | 81 Ų | 81 | 104.7 Ų | 104.7 | 42% | 0.424 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.9 | -18.5 | -177.3 | -66.9 | 168.1 | 0 | 0 | 0 | 113.5 | P216 L217 K243 K244 | P216-L246 HydrophobicContact CB-CD2 3.96Å; L217-L246 HydrophobicContact CB-CD2 4.3Å; L217-L246 HydrophobicContact CD1-CD2 4.44Å; K243-L246 PolarHBondContact O-N 2.96Å; K244-L246 VanDerWaalsContact C-N 3.25Å; K244-L246 PolarHBondContact O-N 3.13Å |
| 247 | T | 81.2 | Confident | 75 | Confident | 90 Ų | 90 | 100.6 Ų | 100.6 | 55% | 0.552 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -79.1 | 126.1 | 178.5 | 49.9 | 0 | 0 | 0 | 0 | 110.3 | K243 K244 | K243-T247 PolarHBondContact O-N 3.29Å; K244-T247 PolarHBondContact O-OG1 2.89Å; K244-T247 VanDerWaalsContact O-OG1 3.07Å |
| 248 | P | 87.5 | Confident | 77.3 | Confident | 111 Ų | 111 | 96.8 Ų | 96.8 | 72% | 0.721 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -59 | 147.6 | 176.9 | 25.8 | -33.8 | 0 | 0 | 0 | 110.4 | ||
| 249 | P | 91.9 | Very high | 79.5 | Confident | 126 Ų | 126 | 91.3 Ų | 91.3 | 82% | 0.818 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 145.6 | 179.1 | 26.2 | -33.9 | 0 | 0 | 0 | 110.8 | ||
| 250 | L | 93.6 | Very high | 81.6 | Confident | 167 Ų | 167 | 92.9 Ų | 92.9 | 87% | 0.874 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -63 | 139.5 | 173.9 | -66.4 | 173.5 | 0 | 0 | 0 | 110 | P252 | L250-P252 VanDerWaalsContact O-CD 3.31Å; L250-P252 WeakPolarHBondContact O-CD 3.44Å |
| 251 | L | 94.6 | Very high | 83.4 | Confident | 109 Ų | 109 | 90.3 Ų | 90.3 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 121.8 | 177.4 | -179.8 | 67.6 | 0 | 0 | 0 | 110.1 | L255 L256 | L251-L255 HydrophobicContact CD1-CB 4.22Å; L251-L255 HydrophobicContact CD1-CD1 3.84Å; L251-L256 HydrophobicContact CD2-CD2 3.66Å; L251-L256 HydrophobicContact CD2-CG 4.13Å |
| 252 | P | 95.8 | Very high | 84.9 | Confident | 56 Ų | 56 | 91.2 Ų | 91.2 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 125.7 | 173.7 | -24.9 | 35 | 0 | 0 | 0 | 110.6 | L250 Q254 L255 | L250-P252 VanDerWaalsContact O-CD 3.31Å; L250-P252 WeakPolarHBondContact O-CD 3.44Å; P252-Q254 PolarHBondContact O-N 2.86Å; P252-Q254 VanDerWaalsContact O-N 3.08Å; P252-L255 HydrophobicContact CB-CG 4.47Å; P252-L255 WeakPolarHBondContact O-CB 3.37Å; P252-L255 PolarHBondContact O-N 3.07Å |
| 253 | P | 96.7 | Very high | 86.2 | Confident | 85 Ų | 85 | 94.7 Ų | 94.7 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -62.3 | -20.3 | -174.5 | 24.3 | -34.8 | 0 | 0 | 0 | 113.6 | L255 L256 | P253-L255 PolarHBondContact O-N 2.95Å; P253-L256 WeakPolarHBondContact O-CB 3.31Å; P253-L256 PolarHBondContact O-N 3.46Å; P253-L256 VanDerWaalsContact O-N 3.1Å |
| 254 | Q | 95 | Very high | 87.2 | Confident | 71 Ų | 71 | 89.9 Ų | 89.9 | 33% | 0.332 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -59.2 | -32.9 | 174 | -63.5 | 84 | -14 | 0 | 0 | 112 | P252 L256 Q257 | P252-Q254 PolarHBondContact O-N 2.86Å; P252-Q254 VanDerWaalsContact O-N 3.08Å; Q254-L256 PolarHBondContact O-N 2.81Å; Q254-Q257 WeakPolarHBondContact O-CB 3.18Å; Q254-Q257 PolarHBondContact O-N 2.88Å |
| 255 | L | 95.1 | Very high | 88.4 | Confident | 28 Ų | 28 | 88.4 Ų | 88.4 | 15% | 0.147 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -73.1 | -11 | 178.9 | -59.8 | -176 | 0 | 0 | 0 | 113.1 | L251 P252 P253 M280 H283 Y285 | L251-L255 HydrophobicContact CD1-CB 4.22Å; L251-L255 HydrophobicContact CD1-CD1 3.84Å; P252-L255 HydrophobicContact CB-CG 4.47Å; P252-L255 WeakPolarHBondContact O-CB 3.37Å; P252-L255 PolarHBondContact O-N 3.07Å; P253-L255 PolarHBondContact O-N 2.95Å; L255-M280 HydrophobicContact CD2-CB 4.14Å; L255-H283 HydrophobicContact CD2-CB 4.36Å; L255-Y285 WeakPolarHBondContact O-CE1 3.49Å; L255-Y285 PolarHBondContact O-OH 3.42Å |
| 256 | L | 95.1 | Very high | 89.4 | Confident | 117 Ų | 117 | 92 Ų | 92 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -85 | -11.9 | 173.9 | -60.4 | 174 | 0 | 0 | 0 | 112.4 | L251 P253 Q254 V258 | L251-L256 HydrophobicContact CD2-CD2 3.66Å; L251-L256 HydrophobicContact CD2-CG 4.13Å; P253-L256 WeakPolarHBondContact O-CB 3.31Å; P253-L256 PolarHBondContact O-N 3.46Å; P253-L256 VanDerWaalsContact O-N 3.1Å; Q254-L256 PolarHBondContact O-N 2.81Å; L256-V258 VanDerWaalsContact C-N 3.27Å; L256-V258 PolarHBondContact O-N 2.87Å |
| 257 | Q | 91.7 | Very high | 90.2 | Very high | 91 Ų | 91 | 96.5 Ų | 96.5 | 43% | 0.425 | 53% | 0.527 | S | S | . | . | trans | -85.2 | 62.2 | -176.6 | -59.9 | -174.5 | 13.3 | 0 | 0 | 112 | Q254 I259 M280 | Q254-Q257 WeakPolarHBondContact O-CB 3.18Å; Q254-Q257 PolarHBondContact O-N 2.88Å; Q257-I259 PolarHBondContact O-N 2.88Å; Q257-I259 VanDerWaalsContact O-N 3.13Å; Q257-M280 HydrophobicContact CB-CE 4.06Å; Q257-M280 WeakPolarHBondContact O-CE 3.49Å | ||
| 258 | V | 91.4 | Very high | 90.3 | Very high | 33 Ų | 33 | 95.4 Ų | 95.4 | 20% | 0.2 | 52% | 0.522 | C | S | . | . | trans | -59 | 114.7 | -176.2 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | L256 L260 N261 Y285 | L256-V258 VanDerWaalsContact C-N 3.27Å; L256-V258 PolarHBondContact O-N 2.87Å; V258-L260 VanDerWaalsContact C-N 3.32Å; V258-L260 HydrophobicContact CG1-CB 4.4Å; V258-L260 PolarHBondContact O-N 2.89Å; V258-N261 HydrophobicContact CB-CB 4.12Å; V258-N261 HydrophobicContact CG1-CB 4.4Å; V258-N261 PolarHBondContact O-N 3.43Å; V258-N261 VanDerWaalsContact O-N 3.09Å; V258-Y285 HydrophobicContact CB-CD1 4.39Å; V258-Y285 HydrophobicContact CB-CE1 4.34Å; V258-Y285 HydrophobicContact CG1-CD1 3.97Å; V258-Y285 HydrophobicContact CG1-CE1 4.33Å; V258-Y285 HydrophobicContact CG1-CG 4.35Å; V258-Y285 HydrophobicContact CG2-CD1 3.79Å; V258-Y285 HydrophobicContact CG2-CE1 3.72Å | ||
| 259 | I | 90.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 94 Ų | 94 | 2% | 0.021 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -64.9 | -36.1 | -176.5 | -69.9 | -178.6 | 0 | 0 | 0 | 112.6 | Q257 N261 R262 L273 P274 P276 M280 I299 | Q257-I259 PolarHBondContact O-N 2.88Å; Q257-I259 VanDerWaalsContact O-N 3.13Å; I259-N261 PolarHBondContact O-N 2.83Å; I259-R262 WeakPolarHBondContact O-CB 3.22Å; I259-R262 PolarHBondContact O-N 2.97Å; I259-L273 HydrophobicContact CG2-CB 3.92Å; I259-L273 HydrophobicContact CG2-CD1 4.27Å; I259-L273 HydrophobicContact CG2-CD2 4.3Å; I259-L273 HydrophobicContact CG2-CG 4.4Å; I259-P274 HydrophobicContact CG2-CG 3.92Å; I259-P276 HydrophobicContact CD1-CB 3.35Å; I259-P276 HydrophobicContact CD1-CG 4.44Å; I259-M280 HydrophobicContact CD1-CE 4.44Å; I259-M280 HydrophobicContact CD1-SD 3.5Å; I259-M280 WeakPolarHBondContact CD1-SD 3.29Å; I259-M280 HydrophobicContact CG1-CE 4.32Å; I259-M280 HydrophobicContact CG1-SD 3.68Å; I259-I299 HydrophobicContact CB-CD1 4.26Å; I259-I299 HydrophobicContact CD1-CD1 3.7Å; I259-I299 HydrophobicContact CG1-CD1 4.31Å |
| 260 | L | 90.6 | Very high | 90.1 | Very high | 71 Ų | 71 | 93 Ų | 93 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -67.8 | -14.1 | 177.2 | -63.2 | -178.5 | 0 | 0 | 0 | 113.4 | V258 L273 S297 V310 | V258-L260 VanDerWaalsContact C-N 3.32Å; V258-L260 HydrophobicContact CG1-CB 4.4Å; V258-L260 PolarHBondContact O-N 2.89Å; L260-L273 HydrophobicContact CD2-CD1 3.68Å; L260-L273 HydrophobicContact CD2-CD2 4.09Å; L260-S297 WeakPolarHBondContact CD1-OG 3.31Å; L260-V310 HydrophobicContact CD1-CG2 3.96Å |
| 261 | N | 91.5 | Very high | 89.8 | Confident | 122 Ų | 122 | 88.1 Ų | 88.1 | 65% | 0.652 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -93 | -1.2 | 174.4 | -65.2 | -5.7 | 0 | 0 | 0 | 112.4 | V258 I259 | V258-N261 HydrophobicContact CB-CB 4.12Å; V258-N261 HydrophobicContact CG1-CB 4.4Å; V258-N261 PolarHBondContact O-N 3.43Å; V258-N261 VanDerWaalsContact O-N 3.09Å; I259-N261 PolarHBondContact O-N 2.83Å |
| 262 | R | 88.3 | Confident | 89.6 | Confident | 109 Ų | 109 | 85 Ų | 85 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -87.6 | 133.4 | 177.3 | -63.2 | -171.3 | 179.5 | -174.1 | 0.1 | 109.7 | I259 T264 | I259-R262 WeakPolarHBondContact O-CB 3.22Å; I259-R262 PolarHBondContact O-N 2.97Å; R262-T264 PolarHBondContact O-N 3.21Å |
| 263 | D | 85.7 | Confident | 89.3 | Confident | 168 Ų | 168 | 83.5 Ų | 83.5 | 90% | 0.898 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 132.7 | 171.7 | -62.7 | -46.1 | 0 | 0 | 0 | 110.2 | ||
| 264 | T | 83.1 | Confident | 89.1 | Confident | 57 Ų | 57 | 81.9 Ų | 81.9 | 35% | 0.35 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 150.9 | 170.6 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | R262 V266 L272 | R262-T264 PolarHBondContact O-N 3.21Å; T264-V266 PolarHBondContact O-N 2.87Å; T264-L272 WeakPolarHBondContact CG2-O 3.41Å |
| 265 | N | 82.8 | Confident | 88.9 | Confident | 93 Ų | 93 | 85.3 Ų | 85.3 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 128.3 | 176.4 | -176.9 | -15.5 | 0 | 0 | 0 | 109.3 | Q267 C268 | N265-Q267 PolarHBondContact O-N 2.83Å; N265-Q267 PolarHBondContact OD1-N 2.8Å; N265-Q267 VanDerWaalsContact OD1-N 3.09Å; N265-C268 WeakPolarHBondContact O-CB 3.43Å; N265-C268 PolarHBondContact O-N 2.8Å |
| 266 | V | 85.1 | Confident | 88.8 | Confident | 144 Ų | 144 | 84.4 Ų | 84.4 | 87% | 0.873 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -14.3 | -179.5 | -62.7 | 0 | 0 | 0 | 0 | 114.4 | T264 | T264-V266 PolarHBondContact O-N 2.87Š|
| 267 | Q | 87.6 | Confident | 88.8 | Confident | 175 Ų | 175 | 81.8 Ų | 81.8 | 82% | 0.818 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -12.1 | 176.3 | -62.6 | -176.7 | -17.1 | 0 | 0 | 113.9 | N265 | N265-Q267 PolarHBondContact O-N 2.83Å; N265-Q267 PolarHBondContact OD1-N 2.8Å; N265-Q267 VanDerWaalsContact OD1-N 3.09Å |
| 268 | C | 82.5 | Confident | 88.9 | Confident | 67 Ų | 67 | 83.6 Ų | 83.6 | 45% | 0.453 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -93.1 | 161.3 | -179.4 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | N265 | N265-C268 WeakPolarHBondContact O-CB 3.43Å; N265-C268 PolarHBondContact O-N 2.8Å |
| 269 | D | 88.9 | Confident | 89.2 | Confident | 81 Ų | 81 | 84.5 Ų | 84.5 | 43% | 0.433 | 45% | 0.451 | S | S | . | . | trans | -59.7 | 127.9 | 171.6 | 170.9 | -5.1 | 0 | 0 | 0 | 109.6 | N271 L272 | D269-N271 PolarHBondContact O-N 2.97Å; D269-N271 VanDerWaalsContact O-N 3.09Å; D269-N271 WeakPolarHBondContact OD1-CB 3.29Å; D269-N271 PolarHBondContact OD1-N 2.88Å; D269-N271 PolarHBondContact OD1-ND2 3.07Å; D269-L272 HydrophobicContact CB-CD1 3.94Å; D269-L272 HydrophobicContact CB-CG 3.87Å; D269-L272 VanDerWaalsContact O-CB 3.32Å; D269-L272 WeakPolarHBondContact O-CB 3.42Å; D269-L272 PolarHBondContact O-N 3.37Å | ||
| 270 | P | 87.2 | Confident | 89.3 | Confident | 104 Ų | 104 | 84.4 Ų | 84.4 | 68% | 0.675 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.3 | -177.2 | 25.8 | -36.8 | 0 | 0 | 0 | 114.3 | L272 | P270-L272 VanDerWaalsContact C-N 3.29Š|
| 271 | N | 87.9 | Confident | 89.5 | Confident | 66 Ų | 66 | 81.8 Ų | 81.8 | 35% | 0.353 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -7.8 | 174.7 | -59 | -66.1 | 0 | 0 | 0 | 113.1 | S13 D269 | S13-N271 PolarHBondContact N-O 2.86Å; S13-N271 PolarHBondContact O-OD1 2.84Å; D269-N271 PolarHBondContact O-N 2.97Å; D269-N271 VanDerWaalsContact O-N 3.09Å; D269-N271 WeakPolarHBondContact OD1-CB 3.29Å; D269-N271 PolarHBondContact OD1-N 2.88Å; D269-N271 PolarHBondContact OD1-ND2 3.07Å |
| 272 | L | 89.5 | Confident | 89.7 | Confident | 42 Ų | 42 | 81.5 Ų | 81.5 | 22% | 0.22 | 44% | 0.435 | C | S | . | . | trans | -84 | 127.7 | 177 | -58.8 | -179 | 0 | 0 | 0 | 111.3 | S10 V11 T264 D269 P270 | S10-L272 WeakPolarHBondContact OG-CD2 3.47Å; V11-L272 VanDerWaalsContact O-CA 3.3Å; V11-L272 WeakPolarHBondContact O-CA 3.45Å; V11-L272 WeakPolarHBondContact O-CD2 3.3Å; T264-L272 WeakPolarHBondContact CG2-O 3.41Å; D269-L272 HydrophobicContact CB-CD1 3.94Å; D269-L272 HydrophobicContact CB-CG 3.87Å; D269-L272 VanDerWaalsContact O-CB 3.32Å; D269-L272 WeakPolarHBondContact O-CB 3.42Å; D269-L272 PolarHBondContact O-N 3.37Å; P270-L272 VanDerWaalsContact C-N 3.29Å | ||
| 273 | L | 90.3 | Very high | 90.1 | Very high | 26 Ų | 26 | 80 Ų | 80 | 14% | 0.136 | 43% | 0.433 | C | S | . | . | trans | -113.7 | 152.6 | 174.4 | -62.3 | 172.6 | 0 | 0 | 0 | 109.8 | V11 I259 L260 S308 | V11-L273 HydrophobicContact CB-CB 4.12Å; V11-L273 WeakPolarHBondContact CB-O 3.45Å; V11-L273 HydrophobicContact CG1-CB 3.8Å; V11-L273 HydrophobicContact CG1-CD1 4.2Å; V11-L273 HydrophobicContact CG1-CG 4.34Å; V11-L273 WeakPolarHBondContact CG2-O 3.49Å; I259-L273 HydrophobicContact CG2-CB 3.92Å; I259-L273 HydrophobicContact CG2-CD1 4.27Å; I259-L273 HydrophobicContact CG2-CD2 4.3Å; I259-L273 HydrophobicContact CG2-CG 4.4Å; L260-L273 HydrophobicContact CD2-CD1 3.68Å; L260-L273 HydrophobicContact CD2-CD2 4.09Å; L273-S308 VanDerWaalsContact CD1-CB 3.47Å | ||
| 274 | P | 90.9 | Very high | 90.5 | Very high | 50 Ų | 50 | 78.6 Ų | 78.6 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 152.4 | 171.8 | 27.4 | -34.8 | 0 | 0 | 0 | 110.8 | I259 | I259-P274 HydrophobicContact CG2-CG 3.92Š|
| 275 | Q | 91.6 | Very high | 91.2 | Very high | 143 Ų | 143 | 77.4 Ų | 77.4 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 127.9 | 177.8 | -176.7 | 178.3 | -8.6 | 0 | 0 | 110.9 | F306 | Q275-F306 HydrophobicContact CG-CD2 4.45Å; Q275-F306 HydrophobicContact CG-CE2 4.02Å |
| 276 | P | 93.6 | Very high | 91.7 | Very high | 9 Ų | 9 | 76.1 Ų | 76.1 | 6% | 0.058 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 154 | 177.3 | 29.7 | -36.1 | 0 | 0 | 0 | 113.1 | I259 M280 V281 I299 F306 | I259-P276 HydrophobicContact CD1-CB 3.35Å; I259-P276 HydrophobicContact CD1-CG 4.44Å; P276-M280 HydrophobicContact CB-CG 4.2Å; P276-M280 HydrophobicContact CB-SD 4.13Å; P276-V281 HydrophobicContact CG-CG2 4.44Å; P276-I299 HydrophobicContact CB-CD1 4.2Å; P276-I299 HydrophobicContact CB-CG2 4.34Å; P276-I299 HydrophobicContact CG-CG2 4.04Å; P276-F306 HydrophobicContact CG-CB 3.84Å; P276-F306 HydrophobicContact CG-CD1 3.35Å; P276-F306 HydrophobicContact CG-CD2 3.81Å; P276-F306 HydrophobicContact CG-CE1 3.71Å; P276-F306 HydrophobicContact CG-CE2 4.15Å; P276-F306 HydrophobicContact CG-CG 3.38Å; P276-F306 HydrophobicContact CG-CZ 4.07Å |
| 277 | D | 94.4 | Very high | 92.2 | Very high | 62 Ų | 62 | 74.2 Ų | 74.2 | 33% | 0.332 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 138.4 | 160 | -164.2 | -16.5 | 0 | 0 | 0 | 109.2 | V279 M280 | D277-V279 PolarHBondContact O-N 3.11Å; D277-V279 VanDerWaalsContact O-N 3.14Å; D277-V279 PolarHBondContact OD1-N 2.97Å; D277-M280 HydrophobicContact CB-CE 4.3Å; D277-M280 HydrophobicContact CB-CG 4.5Å; D277-M280 WeakPolarHBondContact O-CG 3.34Å; D277-M280 PolarHBondContact O-N 2.76Å |
| 278 | H | 94.6 | Very high | 92.6 | Very high | 130 Ų | 130 | 71.5 Ų | 71.5 | 60% | 0.602 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -57.7 | -28.3 | 178.6 | 70.5 | -64.7 | 0 | 0 | 0 | 113.1 | M280 V281 | H278-M280 VanDerWaalsContact C-N 3.3Å; H278-M280 PolarHBondContact O-N 2.85Å; H278-V281 WeakPolarHBondContact O-CB 3.25Å; H278-V281 PolarHBondContact O-N 2.89Å |
| 279 | V | 95.8 | Very high | 93.2 | Very high | 52 Ų | 52 | 72.9 Ų | 72.9 | 32% | 0.315 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -67.4 | -27 | -178.9 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | D277 H283 | D277-V279 PolarHBondContact O-N 3.11Å; D277-V279 VanDerWaalsContact O-N 3.14Å; D277-V279 PolarHBondContact OD1-N 2.97Å; V279-H283 PolarHBondContact O-CD2 3.43Å; V279-H283 PolarHBondContact O-NE2 2.86Å; V279-H283 VanDerWaalsContact O-NE2 3.14Å |
| 280 | M | 94.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 76.1 Ų | 76.1 | 1% | 0.01 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -92.1 | -6.7 | 179 | 63.5 | 168.2 | 74.8 | 0 | 0 | 113.9 | L255 Q257 I259 P276 D277 H278 H283 Y285 I299 | L255-M280 HydrophobicContact CD2-CB 4.14Å; Q257-M280 HydrophobicContact CB-CE 4.06Å; Q257-M280 WeakPolarHBondContact O-CE 3.49Å; I259-M280 HydrophobicContact CD1-CE 4.44Å; I259-M280 HydrophobicContact CD1-SD 3.5Å; I259-M280 WeakPolarHBondContact CD1-SD 3.29Å; I259-M280 HydrophobicContact CG1-CE 4.32Å; I259-M280 HydrophobicContact CG1-SD 3.68Å; P276-M280 HydrophobicContact CB-CG 4.2Å; P276-M280 HydrophobicContact CB-SD 4.13Å; D277-M280 HydrophobicContact CB-CE 4.3Å; D277-M280 HydrophobicContact CB-CG 4.5Å; D277-M280 WeakPolarHBondContact O-CG 3.34Å; D277-M280 PolarHBondContact O-N 2.76Å; H278-M280 VanDerWaalsContact C-N 3.3Å; H278-M280 PolarHBondContact O-N 2.85Å; M280-H283 WeakPolarHBondContact O-CB 3.46Å; M280-H283 PolarHBondContact O-N 3.41Å; M280-Y285 WeakPolarHBondContact CB-OH 3.33Å; M280-I299 HydrophobicContact SD-CD1 4.13Å |
| 281 | V | 94.4 | Very high | 93.8 | Very high | 15 Ų | 15 | 78.1 Ų | 78.1 | 9% | 0.091 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 139.7 | 177.7 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | P276 H278 H283 I299 R301 F306 | P276-V281 HydrophobicContact CG-CG2 4.44Å; H278-V281 WeakPolarHBondContact O-CB 3.25Å; H278-V281 PolarHBondContact O-N 2.89Å; V281-H283 PolarHBondContact O-N 2.98Å; V281-I299 WeakPolarHBondContact CG1-O 3.42Å; V281-I299 HydrophobicContact CG2-CG2 4.44Å; V281-R301 HydrophobicContact CG1-CB 4.26Å; V281-F306 HydrophobicContact CG2-CD1 4.06Å; V281-F306 HydrophobicContact CG2-CE1 3.84Å |
| 282 | N | 95.2 | Very high | 94.1 | Very high | 116 Ų | 116 | 76.7 Ų | 76.7 | 62% | 0.62 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 8.5 | -173.8 | -48.1 | -47.3 | 0 | 0 | 0 | 115.5 | I299 | N282-I299 PolarHBondContact N-O 2.85Š|
| 283 | H | 96 | Very high | 94.3 | Very high | 79 Ų | 79 | 76.8 Ų | 76.8 | 37% | 0.366 | 42% | 0.419 | S | S | . | . | trans | -86.1 | 139.8 | 166.9 | -70.9 | -95.8 | 0 | 0 | 0 | 111 | L255 V279 M280 V281 Y285 | L255-H283 HydrophobicContact CD2-CB 4.36Å; V279-H283 PolarHBondContact O-CD2 3.43Å; V279-H283 PolarHBondContact O-NE2 2.86Å; V279-H283 VanDerWaalsContact O-NE2 3.14Å; M280-H283 WeakPolarHBondContact O-CB 3.46Å; M280-H283 PolarHBondContact O-N 3.41Å; V281-H283 PolarHBondContact O-N 2.98Å; H283-Y285 HydrophobicContact CB-CE2 4.44Å | ||
| 284 | M | 95.8 | Very high | 94.6 | Very high | 137 Ų | 137 | 77.6 Ų | 77.6 | 68% | 0.675 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.8 | 178.3 | -173 | -178.7 | 68 | 0 | 0 | 110.6 | L296 | M284-L296 HydrophobicContact SD-CD1 4.29Å; M284-L296 HydrophobicContact SD-CD2 3.98Å |
| 285 | Y | 95.9 | Very high | 94.7 | Very high | 32 Ų | 32 | 76 Ų | 76 | 13% | 0.125 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 150.3 | 168 | -62.3 | -84.2 | 0 | 0 | 0 | 109.2 | L255 V258 M280 H283 S297 | L255-Y285 WeakPolarHBondContact O-CE1 3.49Å; L255-Y285 PolarHBondContact O-OH 3.42Å; V258-Y285 HydrophobicContact CB-CD1 4.39Å; V258-Y285 HydrophobicContact CB-CE1 4.34Å; V258-Y285 HydrophobicContact CG1-CD1 3.97Å; V258-Y285 HydrophobicContact CG1-CE1 4.33Å; V258-Y285 HydrophobicContact CG1-CG 4.35Å; V258-Y285 HydrophobicContact CG2-CD1 3.79Å; V258-Y285 HydrophobicContact CG2-CE1 3.72Å; M280-Y285 WeakPolarHBondContact CB-OH 3.33Å; H283-Y285 HydrophobicContact CB-CE2 4.44Å; Y285-S297 PolarHBondContact N-O 2.9Å; Y285-S297 PolarHBondContact O-N 2.94Å |
| 286 | A | 95.3 | Very high | 94.9 | Very high | 67 Ų | 67 | 71.5 Ų | 71.5 | 55% | 0.554 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 146.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V295 L296 | A286-V295 WeakPolarHBondContact CA-O 3.22Å; A286-L296 HydrophobicContact CB-CD2 3.73Å |
| 287 | L | 95.2 | Very high | 95 | Very high | 104 Ų | 104 | 71.6 Ų | 71.6 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 156.4 | 162.5 | -63.8 | 175.2 | 0 | 0 | 0 | 109.7 | I289 V295 | L287-I289 PolarHBondContact O-N 2.76Å; L287-V295 HydrophobicContact CB-CB 4.15Å; L287-V295 HydrophobicContact CD1-CB 4.12Å; L287-V295 HydrophobicContact CD1-CG1 4.08Å; L287-V295 HydrophobicContact CD1-CG2 4.43Å; L287-V295 HydrophobicContact CG-CB 4.37Å; L287-V295 PolarHBondContact N-O 2.89Å |
| 288 | S | 95.7 | Very high | 95 | Very high | 117 Ų | 117 | 70.1 Ų | 70.1 | 82% | 0.818 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 133 | 168.9 | -65.8 | 0 | 0 | 0 | 0 | 109.6 | K290 | S288-K290 PolarHBondContact O-N 2.84Š|
| 289 | I | 94.8 | Very high | 95 | Very high | 97 Ų | 97 | 64.2 Ų | 64.2 | 50% | 0.497 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 131.2 | -179.5 | -63.5 | 169.5 | 0 | 0 | 0 | 109.3 | L287 I294 I315 | L287-I289 PolarHBondContact O-N 2.76Å; I289-I294 HydrophobicContact CD1-CD1 4.45Å; I289-I294 HydrophobicContact CG1-CB 4.26Å; I289-I294 HydrophobicContact CG1-CG1 4.11Å; I289-I315 HydrophobicContact CD1-CD1 4.46Å; I289-I315 HydrophobicContact CG2-CD1 3.59Å; I289-I315 HydrophobicContact CG2-CG1 4.43Å |
| 290 | K | 93.5 | Very high | 95 | Very high | 149 Ų | 149 | 63 Ų | 63 | 65% | 0.648 | 36% | 0.356 | S | S | * | . | B | Isolated β-bridge | trans | -143.3 | 139.7 | -179.9 | -167 | -175.9 | 171.6 | -176.4 | 0 | 109.8 | S288 G292 V293 | S288-K290 PolarHBondContact O-N 2.84Å; K290-G292 PolarHBondContact O-N 2.98Å; K290-V293 PolarHBondContact N-O 2.85Å; K290-V293 PolarHBondContact O-N 3.43Å |
| 291 | D | 94.7 | Very high | 95 | Very high | 145 Ų | 145 | 69 Ų | 69 | 78% | 0.775 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 35.6 | 175.9 | -53.5 | -39.7 | 0 | 0 | 0 | 114.2 | V293 | D291-V293 VanDerWaalsContact C-N 3.29Å; D291-V293 PolarHBondContact O-N 2.75Å |
| 292 | G | 94 | Very high | 94.9 | Very high | 36 Ų | 36 | 72.7 Ų | 72.7 | 37% | 0.371 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 20.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K290 P314 I315 | K290-G292 PolarHBondContact O-N 2.98Å; G292-P314 CarbonylContact O-C 3.53Å; G292-P314 VanDerWaalsContact O-CA 3.3Å; G292-P314 WeakPolarHBondContact O-CA 3.36Å; G292-I315 VanDerWaalsContact O-CG1 3.3Å; G292-I315 WeakPolarHBondContact O-CG1 3.43Å; G292-I315 PolarHBondContact O-N 3.17Å |
| 293 | V | 95 | Very high | 94.8 | Very high | 45 Ų | 45 | 76.8 Ų | 76.8 | 27% | 0.273 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.8 | 178.3 | -178 | 0 | 0 | 0 | 0 | 110.2 | K290 D291 V295 Y312 | K290-V293 PolarHBondContact N-O 2.85Å; K290-V293 PolarHBondContact O-N 3.43Å; D291-V293 VanDerWaalsContact C-N 3.29Å; D291-V293 PolarHBondContact O-N 2.75Å; V293-V295 HydrophobicContact CG1-CG2 4.33Å; V293-Y312 HydrophobicContact CG1-CD1 4.18Å |
| 294 | I | 95.5 | Very high | 94.7 | Very high | 42 Ų | 42 | 80.5 Ų | 80.5 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 134.3 | 165.5 | -167.1 | 170.5 | 0 | 0 | 0 | 109.4 | I289 L296 K313 I315 | I289-I294 HydrophobicContact CD1-CD1 4.45Å; I289-I294 HydrophobicContact CG1-CB 4.26Å; I289-I294 HydrophobicContact CG1-CG1 4.11Å; I294-L296 HydrophobicContact CD1-CD1 4.46Å; I294-L296 HydrophobicContact CD1-CD2 3.84Å; I294-L296 HydrophobicContact CD1-CG 4.23Å; I294-L296 HydrophobicContact CG1-CD2 3.93Å; I294-L296 HydrophobicContact CG1-CG 4.11Å; I294-K313 HydrophobicContact CG2-CB 3.9Å; I294-K313 WeakPolarHBondContact CG2-O 3.13Å; I294-K313 PolarHBondContact N-O 3.05Å; I294-K313 PolarHBondContact O-N 3.33Å; I294-I315 HydrophobicContact CB-CG2 4.04Å; I294-I315 HydrophobicContact CG2-CG2 3.94Å |
| 295 | V | 94.6 | Very high | 94.5 | Very high | 18 Ų | 18 | 79.8 Ų | 79.8 | 11% | 0.109 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 114.6 | 175.8 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | A286 L287 V293 V310 L311 Y312 | A286-V295 WeakPolarHBondContact CA-O 3.22Å; L287-V295 HydrophobicContact CB-CB 4.15Å; L287-V295 HydrophobicContact CD1-CB 4.12Å; L287-V295 HydrophobicContact CD1-CG1 4.08Å; L287-V295 HydrophobicContact CD1-CG2 4.43Å; L287-V295 HydrophobicContact CG-CB 4.37Å; L287-V295 PolarHBondContact N-O 2.89Å; V293-V295 HydrophobicContact CG1-CG2 4.33Å; V295-V310 HydrophobicContact CG1-CG1 3.56Å; V295-L311 WeakPolarHBondContact CA-O 3.46Å; V295-Y312 HydrophobicContact CB-CD1 4.4Å; V295-Y312 HydrophobicContact CB-CE1 4.31Å; V295-Y312 HydrophobicContact CG1-CD1 4.16Å; V295-Y312 HydrophobicContact CG1-CD2 4.47Å; V295-Y312 HydrophobicContact CG1-CE1 3.83Å; V295-Y312 HydrophobicContact CG1-CE2 4.17Å; V295-Y312 HydrophobicContact CG1-CG 4.46Å; V295-Y312 HydrophobicContact CG2-CD1 3.47Å; V295-Y312 VanDerWaalsContact CG2-CD1 3.47Å; V295-Y312 HydrophobicContact CG2-CE1 3.47Å; V295-Y312 VanDerWaalsContact CG2-CE1 3.47Å; V295-Y312 HydrophobicContact CG2-CG 4.32Å |
| 296 | L | 95 | Very high | 94.4 | Very high | 47 Ų | 47 | 78.9 Ų | 78.9 | 25% | 0.246 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 145 | -179.9 | -60 | 178.5 | 0 | 0 | 0 | 109.6 | M284 A286 I294 V310 L311 | M284-L296 HydrophobicContact SD-CD1 4.29Å; M284-L296 HydrophobicContact SD-CD2 3.98Å; A286-L296 HydrophobicContact CB-CD2 3.73Å; I294-L296 HydrophobicContact CD1-CD1 4.46Å; I294-L296 HydrophobicContact CD1-CD2 3.84Å; I294-L296 HydrophobicContact CD1-CG 4.23Å; I294-L296 HydrophobicContact CG1-CD2 3.93Å; I294-L296 HydrophobicContact CG1-CG 4.11Å; L296-V310 CarbonylContact O-C 3.54Å; L296-V310 WeakPolarHBondContact O-CA 3.29Å; L296-L311 PolarHBondContact N-O 3.06Å; L296-L311 PolarHBondContact O-N 3.15Å |
| 297 | S | 94.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 77 Ų | 77 | 8% | 0.077 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 145.5 | 171.7 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | L260 Y285 S308 T309 | L260-S297 WeakPolarHBondContact CD1-OG 3.31Å; Y285-S297 PolarHBondContact N-O 2.9Å; Y285-S297 PolarHBondContact O-N 2.94Å; S297-S308 PolarHBondContact OG-OG 3.01Å; S297-T309 WeakPolarHBondContact CA-O 3.06Å; S297-T309 WeakPolarHBondContact CB-O 3.45Å; S297-T309 PolarHBondContact OG-O 3.27Å |
| 298 | A | 94.8 | Very high | 94.2 | Very high | 31 Ų | 31 | 72 Ų | 72 | 26% | 0.256 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 146.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | T309 | A298-T309 PolarHBondContact N-O 3.25Å; A298-T309 PolarHBondContact O-N 3.33Å |
| 299 | I | 94.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 123.5 | 172.7 | -57.5 | 172.1 | 0 | 0 | 0 | 107.5 | I259 P276 M280 V281 N282 F306 V307 | I259-I299 HydrophobicContact CB-CD1 4.26Å; I259-I299 HydrophobicContact CD1-CD1 3.7Å; I259-I299 HydrophobicContact CG1-CD1 4.31Å; P276-I299 HydrophobicContact CB-CD1 4.2Å; P276-I299 HydrophobicContact CB-CG2 4.34Å; P276-I299 HydrophobicContact CG-CG2 4.04Å; M280-I299 HydrophobicContact SD-CD1 4.13Å; V281-I299 WeakPolarHBondContact CG1-O 3.42Å; V281-I299 HydrophobicContact CG2-CG2 4.44Å; N282-I299 PolarHBondContact N-O 2.85Å; I299-F306 HydrophobicContact CG2-CB 4.23Å; I299-F306 HydrophobicContact CG2-CD1 4.41Å; I299-V307 WeakPolarHBondContact CA-O 3.49Å |
| 300 | T | 95.1 | Very high | 94.1 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 17% | 0.166 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 151.8 | 173.9 | 61 | 0 | 0 | 0 | 0 | 109.9 | F306 V307 | T300-F306 WeakPolarHBondContact O-CA 3.26Å; T300-V307 PolarHBondContact N-O 3.23Å; T300-V307 PolarHBondContact O-N 3.35Å |
| 301 | R | 94.5 | Very high | 94 | Very high | 127 Ų | 127 | 58.9 Ų | 58.9 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.3 | 174.1 | -176 | -170.4 | -72.2 | -114.2 | 7.7 | 109.2 | V281 R303 K305 F306 | V281-R301 HydrophobicContact CG1-CB 4.26Å; R301-R303 WeakPolarHBondContact CD-O 3.4Å; R301-R303 VanDerWaalsContact CG-O 3.3Å; R301-R303 WeakPolarHBondContact CG-O 3.33Å; R301-K305 CarbonylContact C-O 3.58Å; R301-K305 WeakPolarHBondContact CA-O 3.35Å; R301-F306 HydrophobicContact CB-CD1 4.04Å; R301-F306 HydrophobicContact CB-CE1 4.12Å; R301-F306 HydrophobicContact CG-CD1 4.22Å; R301-F306 HydrophobicContact CG-CE1 4.05Å; R301-F306 VanDerWaalsContact NH2-CZ 3.27Å |
| 302 | Y | 92.9 | Very high | 94 | Very high | 92 Ų | 92 | 57.5 Ų | 57.5 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 105.4 | 168.6 | 178.8 | -101.3 | 0 | 0 | 0 | 109.2 | L28 Q304 K305 | L28-Y302 HydrophobicContact CD2-CD2 3.78Å; L28-Y302 HydrophobicContact CD2-CG 4.44Å; Y302-Q304 PolarHBondContact O-N 3.29Å; Y302-Q304 VanDerWaalsContact O-N 3.08Å; Y302-K305 PolarHBondContact N-O 3Å; Y302-K305 PolarHBondContact O-N 3.03Å |
| 303 | R | 93 | Very high | 94 | Very high | 202 Ų | 202 | 61 Ų | 61 | 76% | 0.762 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | -110.8 | -170.5 | -60.1 | -177.4 | 172.9 | -175.4 | -2.7 | 111.3 | R301 | R301-R303 WeakPolarHBondContact CD-O 3.4Å; R301-R303 VanDerWaalsContact CG-O 3.3Å; R301-R303 WeakPolarHBondContact CG-O 3.33Å |
| 304 | Q | 93 | Very high | 93.9 | Very high | 157 Ų | 157 | 63.3 Ų | 63.3 | 73% | 0.734 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -6.3 | 179.2 | -66.5 | 176.5 | -8.6 | 0 | 0 | 113.1 | Y302 | Y302-Q304 PolarHBondContact O-N 3.29Å; Y302-Q304 VanDerWaalsContact O-N 3.08Å |
| 305 | K | 92.8 | Very high | 93.7 | Very high | 123 Ų | 123 | 68.9 Ų | 68.9 | 54% | 0.535 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 154.1 | -178.5 | -59.4 | -171.2 | 177.5 | -169.6 | 0 | 111.3 | R301 Y302 | R301-K305 CarbonylContact C-O 3.58Å; R301-K305 WeakPolarHBondContact CA-O 3.35Å; Y302-K305 PolarHBondContact N-O 3Å; Y302-K305 PolarHBondContact O-N 3.03Å |
| 306 | F | 94 | Very high | 93.6 | Very high | 12 Ų | 12 | 71.5 Ų | 71.5 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 146.1 | 170.7 | -56.9 | -89 | 0 | 0 | 0 | 109.7 | V11 Q275 P276 V281 I299 T300 R301 | V11-F306 WeakPolarHBondContact CG1-O 3.3Å; V11-F306 HydrophobicContact CG2-CB 4.19Å; Q275-F306 HydrophobicContact CG-CD2 4.45Å; Q275-F306 HydrophobicContact CG-CE2 4.02Å; P276-F306 HydrophobicContact CG-CB 3.84Å; P276-F306 HydrophobicContact CG-CD1 3.35Å; P276-F306 HydrophobicContact CG-CD2 3.81Å; P276-F306 HydrophobicContact CG-CE1 3.71Å; P276-F306 HydrophobicContact CG-CE2 4.15Å; P276-F306 HydrophobicContact CG-CG 3.38Å; P276-F306 HydrophobicContact CG-CZ 4.07Å; V281-F306 HydrophobicContact CG2-CD1 4.06Å; V281-F306 HydrophobicContact CG2-CE1 3.84Å; I299-F306 HydrophobicContact CG2-CB 4.23Å; I299-F306 HydrophobicContact CG2-CD1 4.41Å; T300-F306 WeakPolarHBondContact O-CA 3.26Å; R301-F306 HydrophobicContact CB-CD1 4.04Å; R301-F306 HydrophobicContact CB-CE1 4.12Å; R301-F306 HydrophobicContact CG-CD1 4.22Å; R301-F306 HydrophobicContact CG-CE1 4.05Å; R301-F306 VanDerWaalsContact NH2-CZ 3.27Å |
| 307 | V | 93.2 | Very high | 93.5 | Very high | 27 Ų | 27 | 72.7 Ų | 72.7 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 120.2 | 178 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | F14 I299 T300 | F14-V307 HydrophobicContact CE1-CG1 3.64Å; F14-V307 HydrophobicContact CZ-CG1 3.63Å; I299-V307 WeakPolarHBondContact CA-O 3.49Å; T300-V307 PolarHBondContact N-O 3.23Å; T300-V307 PolarHBondContact O-N 3.35Å |
| 308 | S | 92.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 112.3 | 169.5 | -171.8 | 0 | 0 | 0 | 0 | 108.4 | L273 S297 | L273-S308 VanDerWaalsContact CD1-CB 3.47Å; S297-S308 PolarHBondContact OG-OG 3.01Å |
| 309 | T | 93 | Very high | 93.4 | Very high | 27 Ų | 27 | 78.8 Ų | 78.8 | 17% | 0.166 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 136.1 | 176.1 | -54.3 | 0 | 0 | 0 | 0 | 109 | S297 A298 | S297-T309 WeakPolarHBondContact CA-O 3.06Å; S297-T309 WeakPolarHBondContact CB-O 3.45Å; S297-T309 PolarHBondContact OG-O 3.27Å; A298-T309 PolarHBondContact N-O 3.25Å; A298-T309 PolarHBondContact O-N 3.33Å |
| 310 | V | 94.8 | Very high | 93.3 | Very high | 23 Ų | 23 | 83.3 Ų | 83.3 | 14% | 0.139 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.7 | 173 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | L260 V295 L296 Y312 | L260-V310 HydrophobicContact CD1-CG2 3.96Å; V295-V310 HydrophobicContact CG1-CG1 3.56Å; L296-V310 CarbonylContact O-C 3.54Å; L296-V310 WeakPolarHBondContact O-CA 3.29Å; V310-Y312 HydrophobicContact CB-CE2 4.43Å; V310-Y312 HydrophobicContact CG1-CD2 4.18Å; V310-Y312 HydrophobicContact CG1-CE2 3.56Å |
| 311 | L | 92.3 | Very high | 93.2 | Very high | 37 Ų | 37 | 87.1 Ų | 87.1 | 19% | 0.194 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.5 | 179.1 | 170.4 | 58.3 | 0 | 0 | 0 | 109.8 | V21 V295 L296 K313 | V21-L311 HydrophobicContact CG2-CD1 4Å; V295-L311 WeakPolarHBondContact CA-O 3.46Å; L296-L311 PolarHBondContact N-O 3.06Å; L296-L311 PolarHBondContact O-N 3.15Å; L311-K313 HydrophobicContact CG-CB 4.43Å |
| 312 | Y | 95.2 | Very high | 93.1 | Very high | 116 Ų | 116 | 84.2 Ų | 84.2 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.3 | 168.9 | -67.4 | -101.5 | 0 | 0 | 0 | 108.9 | V15 V293 V295 V310 | V15-Y312 HydrophobicContact CG1-CD2 4.36Å; V15-Y312 HydrophobicContact CG1-CE2 4.32Å; V293-Y312 HydrophobicContact CG1-CD1 4.18Å; V295-Y312 HydrophobicContact CB-CD1 4.4Å; V295-Y312 HydrophobicContact CB-CE1 4.31Å; V295-Y312 HydrophobicContact CG1-CD1 4.16Å; V295-Y312 HydrophobicContact CG1-CD2 4.47Å; V295-Y312 HydrophobicContact CG1-CE1 3.83Å; V295-Y312 HydrophobicContact CG1-CE2 4.17Å; V295-Y312 HydrophobicContact CG1-CG 4.46Å; V295-Y312 HydrophobicContact CG2-CD1 3.47Å; V295-Y312 VanDerWaalsContact CG2-CD1 3.47Å; V295-Y312 HydrophobicContact CG2-CE1 3.47Å; V295-Y312 VanDerWaalsContact CG2-CE1 3.47Å; V295-Y312 HydrophobicContact CG2-CG 4.32Å; V310-Y312 HydrophobicContact CB-CE2 4.43Å; V310-Y312 HydrophobicContact CG1-CD2 4.18Å; V310-Y312 HydrophobicContact CG1-CE2 3.56Å |
| 313 | K | 92.8 | Very high | 93.1 | Very high | 110 Ų | 110 | 83.6 Ų | 83.6 | 48% | 0.478 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 124.4 | -178.9 | -177.4 | 176.3 | 176.1 | 179.9 | 0 | 110.5 | I294 L311 | I294-K313 HydrophobicContact CG2-CB 3.9Å; I294-K313 WeakPolarHBondContact CG2-O 3.13Å; I294-K313 PolarHBondContact N-O 3.05Å; I294-K313 PolarHBondContact O-N 3.33Å; L311-K313 HydrophobicContact CG-CB 4.43Å |
| 314 | P | 94.3 | Very high | 93.1 | Very high | 93 Ų | 93 | 73.8 Ų | 73.8 | 60% | 0.604 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 144.1 | 170 | -22.7 | 33.9 | 0 | 0 | 0 | 111.7 | G292 | G292-P314 CarbonylContact O-C 3.53Å; G292-P314 VanDerWaalsContact O-CA 3.3Å; G292-P314 WeakPolarHBondContact O-CA 3.36Å |
| 315 | I | 89.6 | Confident | 93.1 | Very high | 159 Ų | 159 | 66.2 Ų | 66.2 | 82% | 0.815 | 33% | 0.328 | S | S | * | . | trans | -107.6 | 0 | 174.7 | 55.8 | 159.6 | 0 | 0 | 0 | 112.3 | I289 G292 I294 | I289-I315 HydrophobicContact CD1-CD1 4.46Å; I289-I315 HydrophobicContact CG2-CD1 3.59Å; I289-I315 HydrophobicContact CG2-CG1 4.43Å; G292-I315 VanDerWaalsContact O-CG1 3.3Å; G292-I315 WeakPolarHBondContact O-CG1 3.43Å; G292-I315 PolarHBondContact O-N 3.17Å; I294-I315 HydrophobicContact CB-CG2 4.04Å; I294-I315 HydrophobicContact CG2-CG2 3.94Å |
Retrieved 315 of 315 residues in 348.6 ms
(Link to these results)