| 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 | 41.9 | Very low | 49.3 | Very low | 246 Ų | 246 | 134.5 Ų | 134.5 | 100% | 1.212 | 69% | 0.688 | S | S | * | * | 0 | 97.2 | 0 | -139.6 | 164.4 | -177 | 0 | 0 | 106.2 | |||||
| 2 | L | 43.2 | Very low | 49.6 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 80% | 0.801 | 67% | 0.67 | S | S | * | * | trans | 18.3 | 105.4 | 178.1 | -50.4 | -179.2 | 0 | 0 | 0 | 119.8 | L4 | L2-L4 HydrophobicContact CB-CD1 4.24Å; L2-L4 HydrophobicContact CD2-CD1 4.06Å | ||
| 3 | H | 49.9 | Very low | 50 | Low | 205 Ų | 205 | 124.8 Ų | 124.8 | 95% | 0.949 | 65% | 0.654 | S | S | * | * | trans | -101.5 | 75.6 | 165.1 | -150.3 | -125.9 | 0 | 0 | 0 | 107.1 | ||||
| 4 | L | 48.9 | Very low | 50.5 | Low | 126 Ų | 126 | 121.7 Ų | 121.7 | 66% | 0.66 | 64% | 0.643 | S | S | * | * | trans | -135.2 | 123.7 | 178.5 | -88.5 | 89 | 0 | 0 | 0 | 106.2 | L2 | L2-L4 HydrophobicContact CB-CD1 4.24Å; L2-L4 HydrophobicContact CD2-CD1 4.06Å | ||
| 5 | D | 50.6 | Low | 50.7 | Low | 81 Ų | 81 | 119.8 Ų | 119.8 | 43% | 0.433 | 63% | 0.632 | S | S | . | * | cis | -160.2 | 105.4 | 3.7 | -83.8 | -75 | 0 | 0 | 0 | 107.3 | T7 L8 | D5-T7 PolarHBondContact O-N 2.85Å; D5-L8 HydrophobicContact CB-CB 4.01Å; D5-L8 HydrophobicContact CB-CD1 3.72Å; D5-L8 HydrophobicContact CB-CG 4.45Å; D5-L8 PolarHBondContact O-N 3.5Å | ||
| 6 | W | 48.9 | Very low | 51.1 | Low | 230 Ų | 230 | 119.3 Ų | 119.3 | 87% | 0.871 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.9 | -23 | 174.8 | 171.6 | -92.3 | 0 | 0 | 0 | 112.6 | T9 | W6-T9 PolarHBondContact O-OG1 2.91Å |
| 7 | T | 52.1 | Low | 51.6 | Low | 87 Ų | 87 | 123.5 Ų | 123.5 | 53% | 0.534 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -74.1 | -25 | 178.1 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | D5 S10 V11 | D5-T7 PolarHBondContact O-N 2.85Å; T7-S10 PolarHBondContact O-N 2.8Å; T7-S10 VanDerWaalsContact O-N 3.17Å; T7-V11 PolarHBondContact O-N 3.2Å |
| 8 | L | 50.7 | Low | 52 | Low | 103 Ų | 103 | 127.1 Ų | 127.1 | 54% | 0.539 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.7 | -42.9 | 176.4 | -115.8 | 89.5 | 0 | 0 | 0 | 111.1 | D5 S10 V11 V12 | D5-L8 HydrophobicContact CB-CB 4.01Å; D5-L8 HydrophobicContact CB-CD1 3.72Å; D5-L8 HydrophobicContact CB-CG 4.45Å; D5-L8 PolarHBondContact O-N 3.5Å; L8-S10 VanDerWaalsContact C-N 3.25Å; L8-S10 PolarHBondContact O-N 3.02Å; L8-V11 WeakPolarHBondContact O-CG2 3.16Å; L8-V11 PolarHBondContact O-N 3.02Å; L8-V12 VanDerWaalsContact O-CB 3.24Å; L8-V12 WeakPolarHBondContact O-CB 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.11Å; L8-V12 PolarHBondContact O-N 2.72Å |
| 9 | T | 51.8 | Low | 52.5 | Low | 85 Ų | 85 | 122.6 Ų | 122.6 | 52% | 0.521 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -59.2 | -35.8 | 172.6 | 13.7 | 0 | 0 | 0 | 0 | 112.4 | W6 S13 | W6-T9 PolarHBondContact O-OG1 2.91Å; T9-S13 WeakPolarHBondContact O-CB 3.02Å; T9-S13 PolarHBondContact O-N 3.48Å; T9-S13 PolarHBondContact O-OG 3.26Å |
| 10 | S | 51.5 | Low | 53.3 | Low | 69 Ų | 69 | 117.2 Ų | 117.2 | 48% | 0.483 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.6 | -39 | -179.1 | -164.6 | 0 | 0 | 0 | 0 | 113 | T7 L8 V14 | T7-S10 PolarHBondContact O-N 2.8Å; T7-S10 VanDerWaalsContact O-N 3.17Å; L8-S10 VanDerWaalsContact C-N 3.25Å; L8-S10 PolarHBondContact O-N 3.02Å; S10-V14 WeakPolarHBondContact O-CG2 3.24Å; S10-V14 PolarHBondContact O-N 3.37Å; S10-V14 VanDerWaalsContact O-N 3.11Å |
| 11 | V | 52.4 | Low | 54.3 | Low | 94 Ų | 94 | 116 Ų | 116 | 57% | 0.57 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.7 | -36.3 | 177.1 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | T7 L8 S13 V14 L15 | T7-V11 PolarHBondContact O-N 3.2Å; L8-V11 WeakPolarHBondContact O-CG2 3.16Å; L8-V11 PolarHBondContact O-N 3.02Å; V11-S13 VanDerWaalsContact C-N 3.31Å; V11-V14 PolarHBondContact O-N 3.22Å; V11-L15 WeakPolarHBondContact O-CB 3.31Å; V11-L15 PolarHBondContact O-N 2.7Å |
| 12 | V | 53.7 | Low | 55.9 | Low | 78 Ų | 78 | 106.7 Ų | 106.7 | 47% | 0.473 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 170 | 171.5 | 0 | 0 | 0 | 0 | 109.4 | L8 V14 L15 Q16 | L8-V12 VanDerWaalsContact O-CB 3.24Å; L8-V12 WeakPolarHBondContact O-CB 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.11Å; L8-V12 PolarHBondContact O-N 2.72Å; V12-V14 PolarHBondContact O-N 2.96Å; V12-L15 PolarHBondContact O-N 3.27Å; V12-Q16 WeakPolarHBondContact O-CB 3.38Å; V12-Q16 PolarHBondContact O-N 3.04Å |
| 13 | S | 54 | Low | 57.5 | Low | 66 Ų | 66 | 99.5 Ų | 99.5 | 46% | 0.462 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 177.3 | -63.8 | 0 | 0 | 0 | 0 | 113.6 | T9 V11 R17 | T9-S13 WeakPolarHBondContact O-CB 3.02Å; T9-S13 PolarHBondContact O-N 3.48Å; T9-S13 PolarHBondContact O-OG 3.26Å; V11-S13 VanDerWaalsContact C-N 3.31Å; S13-R17 WeakPolarHBondContact O-CB 3.09Å; S13-R17 PolarHBondContact O-N 2.77Å |
| 14 | V | 57.8 | Low | 59 | Low | 81 Ų | 81 | 95.1 Ų | 95.1 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.2 | -40.9 | 178.2 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | S10 V11 V12 R17 R18 | S10-V14 WeakPolarHBondContact O-CG2 3.24Å; S10-V14 PolarHBondContact O-N 3.37Å; S10-V14 VanDerWaalsContact O-N 3.11Å; V11-V14 PolarHBondContact O-N 3.22Å; V12-V14 PolarHBondContact O-N 2.96Å; V14-R17 PolarHBondContact O-N 3.44Å; V14-R18 WeakPolarHBondContact O-CG 2.95Å; V14-R18 PolarHBondContact O-N 3Å |
| 15 | L | 52.9 | Low | 60.8 | Low | 93 Ų | 93 | 96.5 Ų | 96.5 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 176.3 | -176.5 | 60.9 | 0 | 0 | 0 | 111.6 | V11 V12 R17 R18 L19 L103 | V11-L15 WeakPolarHBondContact O-CB 3.31Å; V11-L15 PolarHBondContact O-N 2.7Å; V12-L15 PolarHBondContact O-N 3.27Å; L15-R17 VanDerWaalsContact C-N 3.27Å; L15-R17 PolarHBondContact O-N 3.18Å; L15-R18 PolarHBondContact O-N 3.36Å; L15-L19 WeakPolarHBondContact O-CB 3.24Å; L15-L19 PolarHBondContact O-N 2.78Å; L15-L103 HydrophobicContact CD1-CD2 3.78Å; L15-L103 HydrophobicContact CD2-CD1 4.41Å; L15-L103 HydrophobicContact CD2-CD2 4.14Å; L15-L103 HydrophobicContact CG-CD2 3.89Å |
| 16 | Q | 56.9 | Low | 62.4 | Low | 112 Ų | 112 | 92.8 Ų | 92.8 | 52% | 0.523 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.5 | -35.8 | 173.1 | -169.2 | 173.5 | 0.5 | 0 | 0 | 111.3 | V12 G20 | V12-Q16 WeakPolarHBondContact O-CB 3.38Å; V12-Q16 PolarHBondContact O-N 3.04Å; Q16-G20 PolarHBondContact O-N 3.42Å |
| 17 | R | 60.2 | Low | 64.2 | Low | 191 Ų | 191 | 82.1 Ų | 82.1 | 72% | 0.721 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.7 | -43.4 | 175.1 | -167.4 | 170.4 | 165.5 | -167.5 | -3.6 | 112.8 | S13 V14 L15 G20 D21 | S13-R17 WeakPolarHBondContact O-CB 3.09Å; S13-R17 PolarHBondContact O-N 2.77Å; V14-R17 PolarHBondContact O-N 3.44Å; L15-R17 VanDerWaalsContact C-N 3.27Å; L15-R17 PolarHBondContact O-N 3.18Å; R17-G20 PolarHBondContact O-N 3.35Å; R17-D21 PolarHBondContact O-N 3.28Å |
| 18 | R | 58.7 | Low | 65.9 | Low | 188 Ų | 188 | 80.5 Ų | 80.5 | 71% | 0.709 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -68.2 | -39.5 | 176.7 | -67.9 | 179.2 | 93.5 | -171 | 7.1 | 112.6 | V14 L15 G20 D21 A22 | V14-R18 WeakPolarHBondContact O-CG 2.95Å; V14-R18 PolarHBondContact O-N 3Å; L15-R18 PolarHBondContact O-N 3.36Å; R18-G20 VanDerWaalsContact C-N 3.32Å; R18-D21 PolarHBondContact O-N 2.88Å; R18-A22 PolarHBondContact O-N 2.78Å |
| 19 | L | 61.7 | Low | 67.6 | Low | 41 Ų | 41 | 82.9 Ų | 82.9 | 22% | 0.215 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 173 | -170.4 | 64 | 0 | 0 | 0 | 110.6 | L15 D21 A22 A23 T101 L103 | L15-L19 WeakPolarHBondContact O-CB 3.24Å; L15-L19 PolarHBondContact O-N 2.78Å; L19-D21 VanDerWaalsContact C-N 3.32Å; L19-D21 PolarHBondContact O-N 2.74Å; L19-A22 PolarHBondContact O-N 3.08Å; L19-A23 VanDerWaalsContact O-CB 3.26Å; L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 3.43Å; L19-T101 HydrophobicContact CD1-CG2 4.07Å; L19-L103 HydrophobicContact CB-CD2 4.25Å; L19-L103 HydrophobicContact CD1-CB 4.17Å; L19-L103 HydrophobicContact CD1-CD2 4.01Å; L19-L103 HydrophobicContact CD2-CB 4.36Å; L19-L103 HydrophobicContact CD2-CD2 3.79Å; L19-L103 HydrophobicContact CD2-CG 4.13Å; L19-L103 HydrophobicContact CG-CD2 4.21Å |
| 20 | G | 67.5 | Low | 69.4 | Low | 14 Ų | 14 | 79.3 Ų | 79.3 | 14% | 0.144 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57.6 | -40 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q16 R17 R18 K24 | Q16-G20 PolarHBondContact O-N 3.42Å; R17-G20 PolarHBondContact O-N 3.35Å; R18-G20 VanDerWaalsContact C-N 3.32Å; G20-K24 WeakPolarHBondContact O-CB 3.45Å; G20-K24 WeakPolarHBondContact O-CD 3.22Å; G20-K24 WeakPolarHBondContact O-CG 3.32Å; G20-K24 PolarHBondContact O-N 2.84Å |
| 21 | D | 75.3 | Confident | 71.5 | Confident | 93 Ų | 93 | 80.4 Ų | 80.4 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -71.9 | -39.8 | 179.8 | -67.2 | -28 | 0 | 0 | 0 | 112.8 | R17 R18 L19 K25 | R17-D21 PolarHBondContact O-N 3.28Å; R18-D21 PolarHBondContact O-N 2.88Å; L19-D21 VanDerWaalsContact C-N 3.32Å; L19-D21 PolarHBondContact O-N 2.74Å; D21-K25 WeakPolarHBondContact O-CB 3.28Å; D21-K25 PolarHBondContact O-N 3.07Å |
| 22 | A | 75.4 | Confident | 73.5 | Confident | 51 Ų | 51 | 78.8 Ų | 78.8 | 42% | 0.421 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R18 L19 K25 A26 | R18-A22 PolarHBondContact O-N 2.78Å; L19-A22 PolarHBondContact O-N 3.08Å; A22-K25 PolarHBondContact O-N 3.3Å; A22-A26 WeakPolarHBondContact O-CB 3.37Å; A22-A26 PolarHBondContact O-N 3.09Å |
| 23 | A | 76.6 | Confident | 75.4 | Confident | 2 Ų | 2 | 79.4 Ų | 79.4 | 2% | 0.017 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L19 K25 A26 I27 | L19-A23 VanDerWaalsContact O-CB 3.26Å; L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 3.43Å; A23-K25 VanDerWaalsContact C-N 3.3Å; A23-K25 PolarHBondContact O-N 3.41Å; A23-A26 CarbonylContact O-C 3.55Å; A23-A26 WeakPolarHBondContact O-CB 3.41Å; A23-A26 PolarHBondContact O-N 3.46Å; A23-I27 HydrophobicContact CB-CD1 4.42Å; A23-I27 WeakPolarHBondContact O-CB 3.4Å; A23-I27 WeakPolarHBondContact O-CD1 3.18Å; A23-I27 WeakPolarHBondContact O-CG1 3.36Å; A23-I27 PolarHBondContact O-N 3.11Å |
| 24 | K | 82.4 | Confident | 77.3 | Confident | 112 Ų | 112 | 79.4 Ų | 79.4 | 49% | 0.487 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -54.2 | -45.3 | 174.6 | -79.7 | 168.1 | -171.8 | 176.6 | 0 | 112.1 | G20 A26 I27 G28 N81 | G20-K24 WeakPolarHBondContact O-CB 3.45Å; G20-K24 WeakPolarHBondContact O-CD 3.22Å; G20-K24 WeakPolarHBondContact O-CG 3.32Å; G20-K24 PolarHBondContact O-N 2.84Å; K24-A26 VanDerWaalsContact C-N 3.35Å; K24-I27 PolarHBondContact O-N 3Å; K24-G28 PolarHBondContact O-N 3.38Å; K24-N81 WeakPolarHBondContact CG-OD1 3.4Å |
| 25 | K | 85.2 | Confident | 79 | Confident | 155 Ų | 155 | 75.5 Ų | 75.5 | 67% | 0.674 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.7 | -39.2 | 177.6 | -172.4 | 173.8 | -176.6 | 177.2 | 0 | 111.9 | D21 A22 A23 | D21-K25 WeakPolarHBondContact O-CB 3.28Å; D21-K25 PolarHBondContact O-N 3.07Å; A22-K25 PolarHBondContact O-N 3.3Å; A23-K25 VanDerWaalsContact C-N 3.3Å; A23-K25 PolarHBondContact O-N 3.41Å |
| 26 | A | 84.9 | Confident | 80.7 | Confident | 4 Ų | 4 | 77.9 Ų | 77.9 | 3% | 0.033 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.7 | -47.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A22 A23 K24 G28 K29 L94 L97 I99 | A22-A26 WeakPolarHBondContact O-CB 3.37Å; A22-A26 PolarHBondContact O-N 3.09Å; A23-A26 CarbonylContact O-C 3.55Å; A23-A26 WeakPolarHBondContact O-CB 3.41Å; A23-A26 PolarHBondContact O-N 3.46Å; K24-A26 VanDerWaalsContact C-N 3.35Å; A26-G28 VanDerWaalsContact C-N 3.28Å; A26-G28 PolarHBondContact O-N 3.43Å; A26-K29 WeakPolarHBondContact O-CB 3.44Å; A26-K29 PolarHBondContact O-N 3.39Å; A26-L94 HydrophobicContact CB-CD2 3.53Å; A26-L97 HydrophobicContact CB-CD1 4.4Å; A26-I99 HydrophobicContact CB-CD1 3.4Å |
| 27 | I | 87.2 | Confident | 82 | Confident | 6 Ų | 6 | 81.7 Ų | 81.7 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 176.7 | -66.2 | 158.1 | 0 | 0 | 0 | 109.6 | A23 K24 K29 L30 R63 L80 N81 | A23-I27 HydrophobicContact CB-CD1 4.42Å; A23-I27 WeakPolarHBondContact O-CB 3.4Å; A23-I27 WeakPolarHBondContact O-CD1 3.18Å; A23-I27 WeakPolarHBondContact O-CG1 3.36Å; A23-I27 PolarHBondContact O-N 3.11Å; K24-I27 PolarHBondContact O-N 3Å; I27-K29 PolarHBondContact O-N 3.28Å; I27-L30 HydrophobicContact CB-CD1 4.41Å; I27-L30 HydrophobicContact CG2-CD1 4.15Å; I27-L30 VanDerWaalsContact O-CB 3.31Å; I27-L30 WeakPolarHBondContact O-CB 3.47Å; I27-L30 WeakPolarHBondContact O-CG 3.34Å; I27-L30 PolarHBondContact O-N 2.93Å; I27-R63 PolarHBondContact O-NH1 2.84Å; I27-L80 VanDerWaalsContact CD1-C 3.47Å; I27-L80 HydrophobicContact CD1-CB 3.52Å; I27-L80 WeakPolarHBondContact CD1-O 3.22Å; I27-L80 HydrophobicContact CG1-CB 3.88Å; I27-L80 HydrophobicContact CG1-CD1 4.42Å; I27-L80 HydrophobicContact CG2-CB 4.29Å; I27-L80 HydrophobicContact CG2-CD1 3.88Å; I27-N81 WeakPolarHBondContact CD1-OD1 3.45Å |
| 28 | G | 87.5 | Confident | 82.9 | Confident | 52 Ų | 52 | 76 Ų | 76 | 54% | 0.536 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -54.2 | -23.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K24 A26 | K24-G28 PolarHBondContact O-N 3.38Å; A26-G28 VanDerWaalsContact C-N 3.28Å; A26-G28 PolarHBondContact O-N 3.43Å |
| 29 | K | 86.3 | Confident | 84 | Confident | 153 Ų | 153 | 69.1 Ų | 69.1 | 67% | 0.665 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -9.7 | 177.5 | -64 | 176.8 | 176.7 | -175 | 0 | 114.2 | A26 I27 | A26-K29 WeakPolarHBondContact O-CB 3.44Å; A26-K29 PolarHBondContact O-N 3.39Å; I27-K29 PolarHBondContact O-N 3.28Å |
| 30 | L | 90.4 | Very high | 84.8 | Confident | 10 Ų | 10 | 74.5 Ų | 74.5 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -65.1 | 146 | 178.3 | -65.5 | 167.3 | 0 | 0 | 0 | 110.7 | I27 T32 R63 L65 P66 L80 I93 L97 | I27-L30 HydrophobicContact CB-CD1 4.41Å; I27-L30 HydrophobicContact CG2-CD1 4.15Å; I27-L30 VanDerWaalsContact O-CB 3.31Å; I27-L30 WeakPolarHBondContact O-CB 3.47Å; I27-L30 WeakPolarHBondContact O-CG 3.34Å; I27-L30 PolarHBondContact O-N 2.93Å; L30-T32 PolarHBondContact O-N 3.2Å; L30-T32 VanDerWaalsContact O-N 3.11Å; L30-T32 PolarHBondContact O-OG1 3.4Å; L30-R63 HydrophobicContact CB-CG 4.12Å; L30-L65 HydrophobicContact CD1-CD2 3.92Å; L30-P66 HydrophobicContact CD2-CG 3.87Å; L30-L80 HydrophobicContact CD1-CD1 3.94Å; L30-I93 HydrophobicContact CD1-CG2 3.82Å; L30-I93 HydrophobicContact CD2-CG2 3.74Å; L30-I93 HydrophobicContact CG-CG2 4.32Å; L30-L97 HydrophobicContact CD2-CD1 3.87Å; L30-L97 HydrophobicContact CD2-CD2 4.04Å; L30-L97 HydrophobicContact CD2-CG 4.27Å; L30-L97 HydrophobicContact CG-CD1 4.36Å |
| 31 | T | 94.1 | Very high | 85.1 | Confident | 92 Ų | 92 | 74.5 Ų | 74.5 | 56% | 0.564 | 39% | 0.393 | S | S | * | . | trans | -54.7 | 119.9 | 178.5 | -54.7 | 0 | 0 | 0 | 0 | 109.9 | I64 | T31-I64 HydrophobicContact CG2-CB 4.4Å; T31-I64 HydrophobicContact CG2-CD1 4.16Å; T31-I64 PolarHBondContact O-N 3.26Å | ||
| 32 | T | 94.9 | Very high | 84.8 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.5 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 107.1 | L30 V61 V62 K73 | L30-T32 PolarHBondContact O-N 3.2Å; L30-T32 VanDerWaalsContact O-N 3.11Å; L30-T32 PolarHBondContact O-OG1 3.4Å; T32-V61 HydrophobicContact CG2-CG1 3.43Å; T32-V61 VanDerWaalsContact CG2-CG1 3.43Å; T32-V62 WeakPolarHBondContact CA-O 3.18Å; T32-K73 HydrophobicContact CG2-CD 4.22Å |
| 33 | R | 93.7 | Very high | 84.8 | Confident | 90 Ų | 90 | 74 Ų | 74 | 34% | 0.34 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 159.3 | 174.8 | 69.9 | 168.5 | -178.5 | -174.4 | -8.3 | 110.7 | E41 V62 I64 | R33-E41 IonicContact CZ-OE1 3.76Å; R33-E41 IonicContact CZ-OE2 3.37Å; R33-E41 IonicContact NE-OE1 3.97Å; R33-E41 IonicContact NE-OE2 3.28Å; R33-E41 PolarHBondContact NE-OE2 3.36Å; R33-E41 IonicContact NH2-OE1 2.74Å; R33-E41 PolarHBondContact NH2-OE1 3.44Å; R33-E41 IonicContact NH2-OE2 2.88Å; R33-E41 PolarHBondContact NH2-OE2 3.17Å; R33-V62 HydrophobicContact CG-CG2 3.49Å; R33-V62 VanDerWaalsContact CG-CG2 3.49Å; R33-V62 PolarHBondContact N-O 3.26Å; R33-V62 PolarHBondContact O-N 2.83Å; R33-I64 HydrophobicContact CG-CD1 4.27Å |
| 34 | T | 94.5 | Very high | 84.4 | Confident | 66 Ų | 66 | 78.8 Ų | 78.8 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.4 | 170 | -57.3 | 0 | 0 | 0 | 0 | 108.2 | K36 N59 D60 | T34-K36 PolarHBondContact O-N 2.92Å; T34-N59 HydrophobicContact CG2-CB 4.37Å; T34-D60 CarbonylContact C-O 3.55Å; T34-D60 WeakPolarHBondContact CA-O 3.45Å |
| 35 | V | 91.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 43% | 0.431 | C | S | . | . | trans | -64.6 | 125.1 | 176.8 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | T42 Q57 N59 D60 V62 | V35-T42 HydrophobicContact CG1-CG2 3.45Å; V35-T42 VanDerWaalsContact CG1-CG2 3.45Å; V35-Q57 WeakPolarHBondContact CB-O 3.41Å; V35-Q57 WeakPolarHBondContact CG1-O 2.97Å; V35-N59 WeakPolarHBondContact O-CA 3.26Å; V35-N59 PolarHBondContact O-N 3.19Å; V35-D60 HydrophobicContact CB-CB 4.39Å; V35-D60 HydrophobicContact CG2-CB 4.07Å; V35-D60 PolarHBondContact N-O 3.17Å; V35-V62 HydrophobicContact CG2-CG1 3.76Å; V35-V62 HydrophobicContact CG2-CG2 4.02Å | ||
| 36 | K | 89.9 | Confident | 83.4 | Confident | 143 Ų | 143 | 77 Ų | 77 | 62% | 0.622 | 42% | 0.416 | S | S | * | . | trans | -110.1 | 162.6 | -179.7 | -63.9 | -177.1 | -177.5 | -178.1 | 0 | 111.2 | T34 G38 D39 | T34-K36 PolarHBondContact O-N 2.92Å; K36-G38 PolarHBondContact O-N 2.75Å; K36-D39 PolarHBondContact N-OD2 2.84Å; K36-D39 WeakPolarHBondContact O-CB 3.22Å; K36-D39 PolarHBondContact O-N 3.06Å; K36-D39 VanDerWaalsContact O-N 3.09Å | ||
| 37 | K | 83.9 | Confident | 82.9 | Confident | 192 Ų | 192 | 82.8 Ų | 82.8 | 84% | 0.835 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 125.3 | 177.2 | -165 | 175.6 | -177.4 | -178 | 0 | 108.7 | L58 | K37-L58 VanDerWaalsContact CA-CD1 3.46Å; K37-L58 HydrophobicContact CB-CD1 3.56Å; K37-L58 HydrophobicContact CG-CD1 4.38Å |
| 38 | G | 79.4 | Confident | 83.1 | Confident | 70 Ų | 70 | 87.1 Ų | 87.1 | 72% | 0.722 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91 | 1.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K36 | K36-G38 PolarHBondContact O-N 2.75Š|
| 39 | D | 82.1 | Confident | 83.4 | Confident | 45 Ų | 45 | 84.6 Ų | 84.6 | 24% | 0.241 | 44% | 0.44 | C | S | . | . | trans | -69.7 | 143.2 | 165.8 | -77.5 | -28.5 | 0 | 0 | 0 | 109.9 | K36 E41 T42 | K36-D39 PolarHBondContact N-OD2 2.84Å; K36-D39 WeakPolarHBondContact O-CB 3.22Å; K36-D39 PolarHBondContact O-N 3.06Å; K36-D39 VanDerWaalsContact O-N 3.09Å; D39-E41 PolarHBondContact O-N 2.86Å; D39-T42 PolarHBondContact O-N 2.96Å; D39-T42 PolarHBondContact O-OG1 3.28Å | ||
| 40 | K | 77 | Confident | 83.7 | Confident | 153 Ų | 153 | 79.9 Ų | 79.9 | 67% | 0.665 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -52.2 | -30.6 | 177.2 | -65.7 | 178.2 | 177.1 | -74 | 0 | 113.3 | T42 D43 F46 | K40-T42 PolarHBondContact O-N 3.44Å; K40-D43 VanDerWaalsContact O-CB 3.31Å; K40-D43 WeakPolarHBondContact O-CB 3.23Å; K40-D43 PolarHBondContact O-N 3.28Å; K40-F46 HydrophobicContact CB-CD1 4.13Å; K40-F46 HydrophobicContact CB-CD2 4.15Å; K40-F46 HydrophobicContact CB-CE1 3.69Å; K40-F46 HydrophobicContact CB-CE2 3.7Å; K40-F46 HydrophobicContact CB-CG 4.37Å; K40-F46 HydrophobicContact CB-CZ 3.48Å; K40-F46 VanDerWaalsContact CB-CZ 3.48Å; K40-F46 HydrophobicContact CD-CE1 4.44Å; K40-F46 HydrophobicContact CD-CE2 4.41Å; K40-F46 HydrophobicContact CD-CZ 3.82Å; K40-F46 HydrophobicContact CG-CE2 4.34Å; K40-F46 HydrophobicContact CG-CZ 4.12Å; K40-F46 VanDerWaalsContact O-CB 3.24Å; K40-F46 WeakPolarHBondContact O-CB 3.31Å; K40-F46 WeakPolarHBondContact O-CD2 3.33Å; K40-F46 WeakPolarHBondContact O-CG 3.49Å |
| 41 | E | 73.9 | Confident | 83.9 | Confident | 15 Ų | 15 | 82.4 Ų | 82.4 | 7% | 0.07 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -68.6 | -15 | 179.4 | -66.9 | 177.6 | 165.8 | 0 | 0 | 114.5 | R33 D39 D43 Y56 V70 | R33-E41 IonicContact CZ-OE1 3.76Å; R33-E41 IonicContact CZ-OE2 3.37Å; R33-E41 IonicContact NE-OE1 3.97Å; R33-E41 IonicContact NE-OE2 3.28Å; R33-E41 PolarHBondContact NE-OE2 3.36Å; R33-E41 IonicContact NH2-OE1 2.74Å; R33-E41 PolarHBondContact NH2-OE1 3.44Å; R33-E41 IonicContact NH2-OE2 2.88Å; R33-E41 PolarHBondContact NH2-OE2 3.17Å; D39-E41 PolarHBondContact O-N 2.86Å; E41-D43 VanDerWaalsContact C-N 3.3Å; E41-Y56 HydrophobicContact CB-CD2 4.12Å; E41-Y56 HydrophobicContact CB-CG 4.47Å; E41-Y56 HydrophobicContact CG-CD2 4.37Å; E41-V70 WeakPolarHBondContact OE1-CG1 3.44Å |
| 42 | T | 70.2 | Confident | 84 | Confident | 57 Ų | 57 | 80 Ų | 80 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -86.6 | -3.4 | 176 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | V35 D39 K40 | V35-T42 HydrophobicContact CG1-CG2 3.45Å; V35-T42 VanDerWaalsContact CG1-CG2 3.45Å; D39-T42 PolarHBondContact O-N 2.96Å; D39-T42 PolarHBondContact O-OG1 3.28Å; K40-T42 PolarHBondContact O-N 3.44Å |
| 43 | D | 73.8 | Confident | 83.8 | Confident | 76 Ų | 76 | 83.6 Ų | 83.6 | 41% | 0.406 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -79.6 | 134.6 | 174.9 | -167.4 | -75.7 | 0 | 0 | 0 | 110.4 | K40 E41 D45 F46 | K40-D43 VanDerWaalsContact O-CB 3.31Å; K40-D43 WeakPolarHBondContact O-CB 3.23Å; K40-D43 PolarHBondContact O-N 3.28Å; E41-D43 VanDerWaalsContact C-N 3.3Å; D43-D45 PolarHBondContact O-N 3.45Å; D43-D45 VanDerWaalsContact OD1-CB 3.27Å; D43-D45 WeakPolarHBondContact OD1-CB 3.32Å; D43-D45 PolarHBondContact OD1-N 2.91Å; D43-F46 HydrophobicContact CB-CB 4.39Å; D43-F46 HydrophobicContact CB-CD2 4.14Å; D43-F46 WeakPolarHBondContact O-CB 3.45Å; D43-F46 PolarHBondContact O-N 3.45Å |
| 44 | P | 69 | Low | 83.8 | Confident | 103 Ų | 103 | 84.8 Ų | 84.8 | 67% | 0.669 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.2 | 179.9 | 26.2 | -34.9 | 0 | 0 | 0 | 113.7 | F46 | P44-F46 VanDerWaalsContact C-N 3.28Š|
| 45 | D | 72.5 | Confident | 83.6 | Confident | 149 Ų | 149 | 84 Ų | 84 | 80% | 0.797 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -0.9 | 176.5 | -60.6 | -41 | 0 | 0 | 0 | 112.6 | D43 | D43-D45 PolarHBondContact O-N 3.45Å; D43-D45 VanDerWaalsContact OD1-CB 3.27Å; D43-D45 WeakPolarHBondContact OD1-CB 3.32Å; D43-D45 PolarHBondContact OD1-N 2.91Å |
| 46 | F | 73.4 | Confident | 83.7 | Confident | 80 Ų | 80 | 84.6 Ų | 84.6 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -88.5 | 163.5 | -179.2 | -110.7 | -100.7 | 0 | 0 | 0 | 114.5 | K40 D43 P44 H48 | K40-F46 HydrophobicContact CB-CD1 4.13Å; K40-F46 HydrophobicContact CB-CD2 4.15Å; K40-F46 HydrophobicContact CB-CE1 3.69Å; K40-F46 HydrophobicContact CB-CE2 3.7Å; K40-F46 HydrophobicContact CB-CG 4.37Å; K40-F46 HydrophobicContact CB-CZ 3.48Å; K40-F46 VanDerWaalsContact CB-CZ 3.48Å; K40-F46 HydrophobicContact CD-CE1 4.44Å; K40-F46 HydrophobicContact CD-CE2 4.41Å; K40-F46 HydrophobicContact CD-CZ 3.82Å; K40-F46 HydrophobicContact CG-CE2 4.34Å; K40-F46 HydrophobicContact CG-CZ 4.12Å; K40-F46 VanDerWaalsContact O-CB 3.24Å; K40-F46 WeakPolarHBondContact O-CB 3.31Å; K40-F46 WeakPolarHBondContact O-CD2 3.33Å; K40-F46 WeakPolarHBondContact O-CG 3.49Å; D43-F46 HydrophobicContact CB-CB 4.39Å; D43-F46 HydrophobicContact CB-CD2 4.14Å; D43-F46 WeakPolarHBondContact O-CB 3.45Å; D43-F46 PolarHBondContact O-N 3.45Å; P44-F46 VanDerWaalsContact C-N 3.28Å; F46-H48 PolarHBondContact O-CE1 3.33Å; F46-H48 PolarHBondContact O-N 2.9Å; F46-H48 PolarHBondContact O-ND1 3.41Å |
| 47 | N | 75.9 | Confident | 83.7 | Confident | 126 Ų | 126 | 83.9 Ų | 83.9 | 67% | 0.674 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 131.2 | -176.9 | -69.8 | -74.9 | 0 | 0 | 0 | 111.8 | Y56 | N47-Y56 WeakPolarHBondContact O-CD2 3.23Å; N47-Y56 WeakPolarHBondContact O-CE2 3.49Å |
| 48 | H | 90.9 | Very high | 84 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 44% | 0.444 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 162.8 | 174.7 | -61.2 | 50.3 | 0 | 0 | 0 | 110.2 | F46 A50 | F46-H48 PolarHBondContact O-CE1 3.33Å; F46-H48 PolarHBondContact O-N 2.9Å; F46-H48 PolarHBondContact O-ND1 3.41Å; H48-A50 PolarHBondContact O-N 2.96Å |
| 49 | C | 93.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 43% | 0.434 | C | S | . | . | trans | -69.7 | 114.6 | 171.8 | -177.1 | 0 | 0 | 0 | 0 | 110 | V51 C52 I53 E54 Y56 H72 | C49-V51 PolarHBondContact O-N 3.07Å; C49-C52 VanDerWaalsContact CB-SG 3.54Å; C49-I53 WeakPolarHBondContact O-CA 3.36Å; C49-I53 PolarHBondContact O-N 2.87Å; C49-E54 PolarHBondContact N-O 2.63Å; C49-Y56 WeakPolarHBondContact CA-OH 3.42Å; C49-Y56 HydrophobicContact CB-CE1 3.84Å; C49-H72 WeakPolarHBondContact CB-ND1 3.19Å | ||
| 50 | A | 93 | Very high | 85.2 | Confident | 53 Ų | 53 | 80.4 Ų | 80.4 | 44% | 0.438 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -0.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | H48 F71 M88 | H48-A50 PolarHBondContact O-N 2.96Å; A50-F71 HydrophobicContact CB-CE1 4.1Å; A50-M88 HydrophobicContact CB-CG 4.23Å; A50-M88 HydrophobicContact CB-SD 3.45Å; A50-M88 WeakPolarHBondContact CB-SD 3.29Å |
| 51 | V | 94.3 | Very high | 86.1 | Confident | 63 Ų | 63 | 76.1 Ų | 76.1 | 38% | 0.382 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -51 | 176.8 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | C49 F71 C75 P87 | C49-V51 PolarHBondContact O-N 3.07Å; V51-F71 HydrophobicContact CG2-CD1 3.88Å; V51-F71 HydrophobicContact CG2-CE1 4.31Å; V51-C75 HydrophobicContact CB-CB 3.83Å; V51-C75 HydrophobicContact CG1-CB 3.78Å; V51-C75 HydrophobicContact CG2-CB 4.45Å; V51-P87 HydrophobicContact CG2-CG 4.33Å |
| 52 | C | 95.1 | Very high | 87.1 | Confident | 42 Ų | 42 | 75.4 Ų | 75.4 | 28% | 0.284 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -10.6 | 176.2 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | C49 E54 H72 | C49-C52 VanDerWaalsContact CB-SG 3.54Å; C52-E54 HydrophobicContact CB-CG 4.33Å; C52-E54 PolarHBondContact O-N 2.78Å; C52-H72 PolarHBondContact SG-ND1 3.38Å; C52-H72 VanDerWaalsContact SG-ND1 3.42Å |
| 53 | I | 92.4 | Very high | 88.3 | Confident | 136 Ų | 136 | 73 Ų | 73 | 70% | 0.697 | 40% | 0.399 | S | S | * | . | trans | 66 | 14.6 | -179.1 | -41.2 | 175.8 | 0 | 0 | 0 | 112.3 | C49 | C49-I53 WeakPolarHBondContact O-CA 3.36Å; C49-I53 PolarHBondContact O-N 2.87Å | ||
| 54 | E | 92.5 | Very high | 89.3 | Confident | 116 Ų | 116 | 70.8 Ų | 70.8 | 54% | 0.542 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 150.1 | 179.2 | -61.2 | -179.8 | 155.4 | 0 | 0 | 111.9 | C49 C52 | C49-E54 PolarHBondContact N-O 2.63Å; C52-E54 HydrophobicContact CB-CG 4.33Å; C52-E54 PolarHBondContact O-N 2.78Å |
| 55 | A | 91.4 | Very high | 90.5 | Very high | 50 Ų | 50 | 66 Ų | 66 | 41% | 0.413 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 151.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 56 | Y | 92.2 | Very high | 91.5 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 135.2 | 177.1 | -63.7 | -64.7 | 0 | 0 | 0 | 111.4 | E41 N47 C49 V62 V70 F71 H72 | E41-Y56 HydrophobicContact CB-CD2 4.12Å; E41-Y56 HydrophobicContact CB-CG 4.47Å; E41-Y56 HydrophobicContact CG-CD2 4.37Å; N47-Y56 WeakPolarHBondContact O-CD2 3.23Å; N47-Y56 WeakPolarHBondContact O-CE2 3.49Å; C49-Y56 WeakPolarHBondContact CA-OH 3.42Å; C49-Y56 HydrophobicContact CB-CE1 3.84Å; Y56-V62 HydrophobicContact CD1-CG1 3.48Å; Y56-V62 VanDerWaalsContact CD1-CG1 3.48Å; Y56-V62 HydrophobicContact CE1-CG1 3.55Å; Y56-V62 HydrophobicContact CG-CG1 4.32Å; Y56-V70 PolarHBondContact OH-O 2.79Å; Y56-F71 WeakPolarHBondContact OH-CA 3.4Å; Y56-F71 PolarHBondContact OH-N 3.03Å; Y56-H72 AromaticContact CD1-CD2 3.92Å; Y56-H72 AromaticContact CD1-CE1 3.74Å; Y56-H72 AromaticContact CD1-NE2 3.49Å; Y56-H72 WeakPolarHBondContact CD1-NE2 3.02Å; Y56-H72 AromaticContact CE1-CE1 3.79Å; Y56-H72 AromaticContact CE1-ND1 3.89Å; Y56-H72 AromaticContact CE1-NE2 3.88Å |
| 57 | Q | 90.9 | Very high | 92.5 | Very high | 127 Ų | 127 | 59 Ų | 59 | 59% | 0.593 | 33% | 0.327 | S | S | * | . | trans | -109.3 | 162.1 | -179.1 | -60.9 | -174 | 46.5 | 0 | 0 | 111.8 | V35 N59 D60 | V35-Q57 WeakPolarHBondContact CB-O 3.41Å; V35-Q57 WeakPolarHBondContact CG1-O 2.97Å; Q57-N59 PolarHBondContact O-N 2.92Å; Q57-D60 PolarHBondContact N-OD2 2.93Å; Q57-D60 VanDerWaalsContact O-CB 3.28Å; Q57-D60 WeakPolarHBondContact O-CB 3.4Å; Q57-D60 PolarHBondContact O-N 2.97Å; Q57-D60 VanDerWaalsContact O-N 3.08Å | ||
| 58 | L | 90.9 | Very high | 93.3 | Very high | 88 Ų | 88 | 61.1 Ų | 61.1 | 46% | 0.461 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 133.2 | 172.9 | -170.3 | 84.6 | 0 | 0 | 0 | 110 | K37 D60 | K37-L58 VanDerWaalsContact CA-CD1 3.46Å; K37-L58 HydrophobicContact CB-CD1 3.56Å; K37-L58 HydrophobicContact CG-CD1 4.38Å; L58-D60 PolarHBondContact O-N 2.82Å |
| 59 | N | 91.9 | Very high | 93.5 | Very high | 109 Ų | 109 | 59.5 Ų | 59.5 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 5.7 | -178 | -46.1 | -57.9 | 0 | 0 | 0 | 115.5 | T34 V35 Q57 V61 | T34-N59 HydrophobicContact CG2-CB 4.37Å; V35-N59 WeakPolarHBondContact O-CA 3.26Å; V35-N59 PolarHBondContact O-N 3.19Å; Q57-N59 PolarHBondContact O-N 2.92Å; N59-V61 PolarHBondContact O-N 3.28Å |
| 60 | D | 93.8 | Very high | 93.5 | Very high | 38 Ų | 38 | 61 Ų | 61 | 20% | 0.203 | 33% | 0.332 | C | S | . | . | trans | -61.5 | 136.6 | 170.4 | -82.5 | -11.4 | 0 | 0 | 0 | 110.7 | T34 V35 Q57 L58 V62 H72 | T34-D60 CarbonylContact C-O 3.55Å; T34-D60 WeakPolarHBondContact CA-O 3.45Å; V35-D60 HydrophobicContact CB-CB 4.39Å; V35-D60 HydrophobicContact CG2-CB 4.07Å; V35-D60 PolarHBondContact N-O 3.17Å; Q57-D60 PolarHBondContact N-OD2 2.93Å; Q57-D60 VanDerWaalsContact O-CB 3.28Å; Q57-D60 WeakPolarHBondContact O-CB 3.4Å; Q57-D60 PolarHBondContact O-N 2.97Å; Q57-D60 VanDerWaalsContact O-N 3.08Å; L58-D60 PolarHBondContact O-N 2.82Å; D60-V62 HydrophobicContact CB-CG1 4.38Å; D60-H72 IonicContact OD2-CD2 3.44Å; D60-H72 PolarHBondContact OD2-CD2 2.87Å; D60-H72 IonicContact OD2-CE1 3.94Å; D60-H72 IonicContact OD2-NE2 2.77Å; D60-H72 PolarHBondContact OD2-NE2 2.83Å | ||
| 61 | V | 95.4 | Very high | 93.6 | Very high | 62 Ų | 62 | 58.5 Ų | 58.5 | 38% | 0.376 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 108.5 | 173.5 | -175.1 | 0 | 0 | 0 | 0 | 108 | T32 N59 K73 | T32-V61 HydrophobicContact CG2-CG1 3.43Å; T32-V61 VanDerWaalsContact CG2-CG1 3.43Å; N59-V61 PolarHBondContact O-N 3.28Å; V61-K73 HydrophobicContact CB-CB 4.41Å; V61-K73 HydrophobicContact CG1-CB 3.95Å; V61-K73 HydrophobicContact CG1-CD 3.79Å; V61-K73 WeakPolarHBondContact O-CB 3.34Å; V61-K73 PolarHBondContact O-N 3.36Å |
| 62 | V | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 146.5 | -179.6 | -60.5 | 0 | 0 | 0 | 0 | 111 | T32 R33 V35 Y56 D60 V70 F71 | T32-V62 WeakPolarHBondContact CA-O 3.18Å; R33-V62 HydrophobicContact CG-CG2 3.49Å; R33-V62 VanDerWaalsContact CG-CG2 3.49Å; R33-V62 PolarHBondContact N-O 3.26Å; R33-V62 PolarHBondContact O-N 2.83Å; V35-V62 HydrophobicContact CG2-CG1 3.76Å; V35-V62 HydrophobicContact CG2-CG2 4.02Å; Y56-V62 HydrophobicContact CD1-CG1 3.48Å; Y56-V62 VanDerWaalsContact CD1-CG1 3.48Å; Y56-V62 HydrophobicContact CE1-CG1 3.55Å; Y56-V62 HydrophobicContact CG-CG1 4.32Å; D60-V62 HydrophobicContact CB-CG1 4.38Å; V62-V70 HydrophobicContact CB-CG1 3.65Å; V62-V70 HydrophobicContact CG1-CG1 4.26Å; V62-V70 HydrophobicContact CG2-CG1 3.83Å; V62-F71 CarbonylContact C-O 3.47Å; V62-F71 VanDerWaalsContact CA-O 3.23Å; V62-F71 WeakPolarHBondContact CA-O 3.39Å; V62-F71 WeakPolarHBondContact CB-O 3.31Å |
| 63 | R | 95.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.3 | 174.7 | -172 | 178.1 | -63.3 | -96.3 | 17.9 | 109.4 | I27 L30 L65 V70 F71 V76 D77 | I27-R63 PolarHBondContact O-NH1 2.84Å; L30-R63 HydrophobicContact CB-CG 4.12Å; R63-L65 HydrophobicContact CG-CD2 4.43Å; R63-V70 WeakPolarHBondContact O-CA 3.43Å; R63-F71 PolarHBondContact N-O 2.97Å; R63-F71 PolarHBondContact O-N 3.25Å; R63-V76 HydrophobicContact CB-CG1 3.89Å; R63-V76 HydrophobicContact CG-CG1 4.38Å; R63-D77 IonicContact CZ-OD1 3.04Å; R63-D77 IonicContact CZ-OD2 3.86Å; R63-D77 IonicContact NE-OD1 2.63Å; R63-D77 PolarHBondContact NE-OD1 3.15Å; R63-D77 IonicContact NH2-OD1 2.79Å; R63-D77 PolarHBondContact NH2-OD1 3.06Å; R63-D77 IonicContact NH2-OD2 2.87Å; R63-D77 PolarHBondContact NH2-OD2 3.35Å |
| 64 | I | 94.3 | Very high | 93.9 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 16% | 0.159 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119.1 | 178.1 | -51.4 | 175.8 | 0 | 0 | 0 | 107.5 | T31 R33 V70 | T31-I64 HydrophobicContact CG2-CB 4.4Å; T31-I64 HydrophobicContact CG2-CD1 4.16Å; T31-I64 PolarHBondContact O-N 3.26Å; R33-I64 HydrophobicContact CG-CD1 4.27Å; I64-V70 HydrophobicContact CG1-CG1 4.34Å; I64-V70 HydrophobicContact CG1-CG2 4.11Å; I64-V70 HydrophobicContact CG2-CG2 4.47Å |
| 65 | L | 94.8 | Very high | 94 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | trans | -78.4 | 164.2 | 177.3 | -58.6 | -170.2 | 0 | 0 | 0 | 111 | L30 R63 C67 K68 H69 F71 L80 C86 I93 | L30-L65 HydrophobicContact CD1-CD2 3.92Å; R63-L65 HydrophobicContact CG-CD2 4.43Å; L65-C67 PolarHBondContact O-N 3.39Å; L65-K68 WeakPolarHBondContact O-CA 3.46Å; L65-K68 PolarHBondContact O-N 2.87Å; L65-H69 PolarHBondContact N-O 3.22Å; L65-F71 HydrophobicContact CD1-CD2 4.13Å; L65-F71 HydrophobicContact CD1-CE2 3.65Å; L65-F71 HydrophobicContact CG-CD2 4.22Å; L65-F71 HydrophobicContact CG-CE2 4.1Å; L65-L80 HydrophobicContact CD2-CD1 3.81Å; L65-L80 HydrophobicContact CD2-CD2 4.4Å; L65-C86 HydrophobicContact CD1-CB 3.77Å; L65-I93 HydrophobicContact CB-CD1 4.09Å; L65-I93 HydrophobicContact CD1-CD1 3.9Å; L65-I93 HydrophobicContact CD2-CD1 4.46Å; L65-I93 HydrophobicContact CG-CD1 4.37Å | ||
| 66 | P | 93.3 | Very high | 94.2 | Very high | 49 Ų | 49 | 50.1 Ų | 50.1 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.2 | 177.6 | -24.3 | 37.5 | 0 | 0 | 0 | 113 | L30 K68 I93 A96 L97 | L30-P66 HydrophobicContact CD2-CG 3.87Å; P66-K68 PolarHBondContact O-N 2.88Å; P66-I93 HydrophobicContact CG-CG2 4.07Å; P66-A96 HydrophobicContact CB-CB 3.75Å; P66-A96 HydrophobicContact CG-CB 3.93Å; P66-L97 HydrophobicContact CG-CD2 4.36Å |
| 67 | C | 94.8 | Very high | 94.2 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 22% | 0.223 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 6.5 | 171.2 | 62.3 | 0 | 0 | 0 | 0 | 114.5 | L65 H69 L91 | L65-C67 PolarHBondContact O-N 3.39Å; C67-H69 PolarHBondContact O-N 2.97Å; C67-H69 VanDerWaalsContact O-N 3.17Å; C67-H69 PolarHBondContact SG-ND1 2.79Å; C67-H69 VanDerWaalsContact SG-ND1 3.36Å; C67-L91 HydrophobicContact CB-CB 4.39Å; C67-L91 HydrophobicContact CB-CD2 3.65Å |
| 68 | K | 92.8 | Very high | 94.2 | Very high | 170 Ų | 170 | 48.4 Ų | 48.4 | 74% | 0.739 | 26% | 0.262 | S | S | * | . | trans | 68.5 | 1.7 | -180 | -49.4 | -63.6 | -179.2 | 166.5 | 0 | 116.6 | L65 P66 | L65-K68 WeakPolarHBondContact O-CA 3.46Å; L65-K68 PolarHBondContact O-N 2.87Å; P66-K68 PolarHBondContact O-N 2.88Å | ||
| 69 | H | 94.1 | Very high | 94.2 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 28% | 0.282 | 26% | 0.256 | S | S | . | . | trans | -67.5 | 138.7 | 168.8 | -69.6 | 118.9 | 0 | 0 | 0 | 110.9 | L65 C67 F71 C86 | L65-H69 PolarHBondContact N-O 3.22Å; C67-H69 PolarHBondContact O-N 2.97Å; C67-H69 VanDerWaalsContact O-N 3.17Å; C67-H69 PolarHBondContact SG-ND1 2.79Å; C67-H69 VanDerWaalsContact SG-ND1 3.36Å; H69-F71 HydrophobicContact CB-CD2 4.5Å; H69-F71 HydrophobicContact CB-CE2 3.52Å; H69-F71 HydrophobicContact CB-CZ 3.86Å; H69-C86 PolarHBondContact ND1-SG 2.78Å; H69-C86 VanDerWaalsContact ND1-SG 3.44Å | ||
| 70 | V | 94 | Very high | 94.1 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 19% | 0.188 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140.2 | -177.6 | -169.8 | 0 | 0 | 0 | 0 | 109.3 | E41 Y56 V62 R63 I64 | E41-V70 WeakPolarHBondContact OE1-CG1 3.44Å; Y56-V70 PolarHBondContact OH-O 2.79Å; V62-V70 HydrophobicContact CB-CG1 3.65Å; V62-V70 HydrophobicContact CG1-CG1 4.26Å; V62-V70 HydrophobicContact CG2-CG1 3.83Å; R63-V70 WeakPolarHBondContact O-CA 3.43Å; I64-V70 HydrophobicContact CG1-CG1 4.34Å; I64-V70 HydrophobicContact CG1-CG2 4.11Å; I64-V70 HydrophobicContact CG2-CG2 4.47Å |
| 71 | F | 95.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 158.6 | 176.3 | -54.6 | -88.9 | 0 | 0 | 0 | 109.6 | A50 V51 Y56 V62 R63 L65 H69 K73 V76 P87 M88 | A50-F71 HydrophobicContact CB-CE1 4.1Å; V51-F71 HydrophobicContact CG2-CD1 3.88Å; V51-F71 HydrophobicContact CG2-CE1 4.31Å; Y56-F71 WeakPolarHBondContact OH-CA 3.4Å; Y56-F71 PolarHBondContact OH-N 3.03Å; V62-F71 CarbonylContact C-O 3.47Å; V62-F71 VanDerWaalsContact CA-O 3.23Å; V62-F71 WeakPolarHBondContact CA-O 3.39Å; V62-F71 WeakPolarHBondContact CB-O 3.31Å; R63-F71 PolarHBondContact N-O 2.97Å; R63-F71 PolarHBondContact O-N 3.25Å; L65-F71 HydrophobicContact CD1-CD2 4.13Å; L65-F71 HydrophobicContact CD1-CE2 3.65Å; L65-F71 HydrophobicContact CG-CD2 4.22Å; L65-F71 HydrophobicContact CG-CE2 4.1Å; H69-F71 HydrophobicContact CB-CD2 4.5Å; H69-F71 HydrophobicContact CB-CE2 3.52Å; H69-F71 HydrophobicContact CB-CZ 3.86Å; F71-K73 PolarHBondContact O-N 2.96Å; F71-V76 HydrophobicContact CB-CB 3.6Å; F71-V76 HydrophobicContact CB-CG1 3.93Å; F71-V76 HydrophobicContact CB-CG2 4.04Å; F71-V76 HydrophobicContact CD2-CB 4.3Å; F71-V76 HydrophobicContact CD2-CG2 3.79Å; F71-V76 HydrophobicContact CE2-CG2 4.42Å; F71-V76 HydrophobicContact CG-CB 4.02Å; F71-V76 HydrophobicContact CG-CG2 3.89Å; F71-P87 HydrophobicContact CE1-CB 4.21Å; F71-P87 HydrophobicContact CE1-CG 4.11Å; F71-P87 HydrophobicContact CZ-CB 4.27Å; F71-P87 HydrophobicContact CZ-CG 4.09Å; F71-M88 HydrophobicContact CE1-CG 3.92Å; F71-M88 HydrophobicContact CZ-CB 4.37Å; F71-M88 HydrophobicContact CZ-CG 3.6Å |
| 72 | H | 96.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 7% | 0.065 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 136.2 | 163.7 | -63.7 | 105.7 | 0 | 0 | 0 | 110.1 | C49 C52 Y56 D60 V74 C75 V76 | C49-H72 WeakPolarHBondContact CB-ND1 3.19Å; C52-H72 PolarHBondContact SG-ND1 3.38Å; C52-H72 VanDerWaalsContact SG-ND1 3.42Å; Y56-H72 AromaticContact CD1-CD2 3.92Å; Y56-H72 AromaticContact CD1-CE1 3.74Å; Y56-H72 AromaticContact CD1-NE2 3.49Å; Y56-H72 WeakPolarHBondContact CD1-NE2 3.02Å; Y56-H72 AromaticContact CE1-CE1 3.79Å; Y56-H72 AromaticContact CE1-ND1 3.89Å; Y56-H72 AromaticContact CE1-NE2 3.88Å; D60-H72 IonicContact OD2-CD2 3.44Å; D60-H72 PolarHBondContact OD2-CD2 2.87Å; D60-H72 IonicContact OD2-CE1 3.94Å; D60-H72 IonicContact OD2-NE2 2.77Å; D60-H72 PolarHBondContact OD2-NE2 2.83Å; H72-V74 HydrophobicContact CB-CG2 4.18Å; H72-V74 PolarHBondContact O-N 2.95Å; H72-C75 HydrophobicContact CB-CB 4.01Å; H72-C75 PolarHBondContact O-N 3.08Å; H72-C75 VanDerWaalsContact O-N 3.07Å; H72-V76 WeakPolarHBondContact O-CG1 3.27Å; H72-V76 PolarHBondContact O-N 3.01Å |
| 73 | K | 95.8 | Very high | 92.6 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -54.5 | -44.6 | 178.2 | 179.8 | -172.7 | 177.6 | -56.8 | 0 | 111 | T32 V61 F71 C75 D77 | T32-K73 HydrophobicContact CG2-CD 4.22Å; V61-K73 HydrophobicContact CB-CB 4.41Å; V61-K73 HydrophobicContact CG1-CB 3.95Å; V61-K73 HydrophobicContact CG1-CD 3.79Å; V61-K73 WeakPolarHBondContact O-CB 3.34Å; V61-K73 PolarHBondContact O-N 3.36Å; F71-K73 PolarHBondContact O-N 2.96Å; K73-C75 VanDerWaalsContact C-N 3.28Å; K73-C75 PolarHBondContact O-N 2.93Å; K73-D77 WeakPolarHBondContact CG-OD2 3.4Å; K73-D77 IonicContact NZ-OD2 2.78Å; K73-D77 PolarHBondContact NZ-OD2 2.81Å; K73-D77 VanDerWaalsContact O-CB 3.23Å; K73-D77 WeakPolarHBondContact O-CB 3.37Å; K73-D77 PolarHBondContact O-N 2.67Å |
| 74 | V | 95.4 | Very high | 92.2 | Very high | 115 Ų | 115 | 50.5 Ų | 50.5 | 70% | 0.697 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.6 | -31.1 | -179.2 | -60.8 | 0 | 0 | 0 | 0 | 112.8 | H72 P78 | H72-V74 HydrophobicContact CB-CG2 4.18Å; H72-V74 PolarHBondContact O-N 2.95Å; V74-P78 WeakPolarHBondContact O-CD 3.15Å |
| 75 | C | 95.8 | Very high | 92.1 | Very high | 30 Ų | 30 | 50.4 Ų | 50.4 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -81 | -39.9 | -178.8 | -61.7 | 0 | 0 | 0 | 0 | 112 | V51 H72 K73 | V51-C75 HydrophobicContact CB-CB 3.83Å; V51-C75 HydrophobicContact CG1-CB 3.78Å; V51-C75 HydrophobicContact CG2-CB 4.45Å; H72-C75 HydrophobicContact CB-CB 4.01Å; H72-C75 PolarHBondContact O-N 3.08Å; H72-C75 VanDerWaalsContact O-N 3.07Å; K73-C75 VanDerWaalsContact C-N 3.28Å; K73-C75 PolarHBondContact O-N 2.93Å |
| 76 | V | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -90.1 | -26.4 | -173.6 | 77.7 | 0 | 0 | 0 | 0 | 113.7 | R63 F71 H72 W79 L80 P87 | R63-V76 HydrophobicContact CB-CG1 3.89Å; R63-V76 HydrophobicContact CG-CG1 4.38Å; F71-V76 HydrophobicContact CB-CB 3.6Å; F71-V76 HydrophobicContact CB-CG1 3.93Å; F71-V76 HydrophobicContact CB-CG2 4.04Å; F71-V76 HydrophobicContact CD2-CB 4.3Å; F71-V76 HydrophobicContact CD2-CG2 3.79Å; F71-V76 HydrophobicContact CE2-CG2 4.42Å; F71-V76 HydrophobicContact CG-CB 4.02Å; F71-V76 HydrophobicContact CG-CG2 3.89Å; H72-V76 WeakPolarHBondContact O-CG1 3.27Å; H72-V76 PolarHBondContact O-N 3.01Å; V76-W79 WeakPolarHBondContact O-CB 3.09Å; V76-W79 PolarHBondContact O-N 3.41Å; V76-L80 HydrophobicContact CG1-CD1 4.27Å; V76-L80 HydrophobicContact CG2-CD1 4.05Å; V76-L80 HydrophobicContact CG2-CG 4.01Å; V76-L80 VanDerWaalsContact O-CG 3.31Å; V76-L80 WeakPolarHBondContact O-CG 3.26Å; V76-L80 PolarHBondContact O-N 2.91Å; V76-P87 HydrophobicContact CG2-CG 4.34Å |
| 77 | D | 92.8 | Very high | 92 | Very high | 24 Ų | 24 | 49.1 Ų | 49.1 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -46.7 | -179.4 | -76.1 | 4.5 | 0 | 0 | 0 | 113 | R63 K73 W79 L80 N81 | R63-D77 IonicContact CZ-OD1 3.04Å; R63-D77 IonicContact CZ-OD2 3.86Å; R63-D77 IonicContact NE-OD1 2.63Å; R63-D77 PolarHBondContact NE-OD1 3.15Å; R63-D77 IonicContact NH2-OD1 2.79Å; R63-D77 PolarHBondContact NH2-OD1 3.06Å; R63-D77 IonicContact NH2-OD2 2.87Å; R63-D77 PolarHBondContact NH2-OD2 3.35Å; K73-D77 WeakPolarHBondContact CG-OD2 3.4Å; K73-D77 IonicContact NZ-OD2 2.78Å; K73-D77 PolarHBondContact NZ-OD2 2.81Å; K73-D77 VanDerWaalsContact O-CB 3.23Å; K73-D77 WeakPolarHBondContact O-CB 3.37Å; K73-D77 PolarHBondContact O-N 2.67Å; D77-W79 VanDerWaalsContact C-N 3.34Å; D77-W79 PolarHBondContact O-N 3.46Å; D77-L80 PolarHBondContact O-N 3.39Å; D77-N81 VanDerWaalsContact O-CG 3.29Å; D77-N81 PolarHBondContact O-N 3.11Å; D77-N81 VanDerWaalsContact O-N 3.07Å; D77-N81 PolarHBondContact O-ND2 3.05Å |
| 78 | P | 90.9 | Very high | 92 | Very high | 79 Ų | 79 | 52.5 Ų | 52.5 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 177.3 | -23.3 | 34.6 | 0 | 0 | 0 | 112.2 | V74 L80 N81 E82 | V74-P78 WeakPolarHBondContact O-CD 3.15Å; P78-L80 PolarHBondContact O-N 2.96Å; P78-N81 PolarHBondContact O-N 2.62Å; P78-E82 PolarHBondContact O-N 2.81Å |
| 79 | W | 90.3 | Very high | 92 | Very high | 91 Ų | 91 | 47.3 Ų | 47.3 | 35% | 0.345 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.4 | -46.5 | 177.6 | 179.1 | -83.4 | 0 | 0 | 0 | 112.3 | V76 D77 N81 E82 H83 T85 P87 | V76-W79 WeakPolarHBondContact O-CB 3.09Å; V76-W79 PolarHBondContact O-N 3.41Å; D77-W79 VanDerWaalsContact C-N 3.34Å; D77-W79 PolarHBondContact O-N 3.46Å; W79-N81 VanDerWaalsContact C-N 3.3Å; W79-N81 PolarHBondContact O-N 2.93Å; W79-E82 PolarHBondContact O-N 3.39Å; W79-H83 AromaticContact CD2-CD2 3.83Å; W79-H83 AromaticContact CE2-CD2 3.83Å; W79-H83 AromaticContact CE3-CD2 3.95Å; W79-H83 AromaticContact CZ2-CD2 3.97Å; W79-H83 PolarHBondContact O-N 3.33Å; W79-T85 PolarHBondContact NE1-O 3.41Å; W79-P87 HydrophobicContact CD2-CG 4.24Å; W79-P87 HydrophobicContact CG-CG 4.03Å |
| 80 | L | 89.8 | Confident | 91.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -32.2 | -178.9 | -67.8 | 174 | 0 | 0 | 0 | 112.6 | I27 L30 L65 V76 D77 P78 E82 C84 T85 I93 | I27-L80 VanDerWaalsContact CD1-C 3.47Å; I27-L80 HydrophobicContact CD1-CB 3.52Å; I27-L80 WeakPolarHBondContact CD1-O 3.22Å; I27-L80 HydrophobicContact CG1-CB 3.88Å; I27-L80 HydrophobicContact CG1-CD1 4.42Å; I27-L80 HydrophobicContact CG2-CB 4.29Å; I27-L80 HydrophobicContact CG2-CD1 3.88Å; L30-L80 HydrophobicContact CD1-CD1 3.94Å; L65-L80 HydrophobicContact CD2-CD1 3.81Å; L65-L80 HydrophobicContact CD2-CD2 4.4Å; V76-L80 HydrophobicContact CG1-CD1 4.27Å; V76-L80 HydrophobicContact CG2-CD1 4.05Å; V76-L80 HydrophobicContact CG2-CG 4.01Å; V76-L80 VanDerWaalsContact O-CG 3.31Å; V76-L80 WeakPolarHBondContact O-CG 3.26Å; V76-L80 PolarHBondContact O-N 2.91Å; D77-L80 PolarHBondContact O-N 3.39Å; P78-L80 PolarHBondContact O-N 2.96Å; L80-E82 PolarHBondContact O-N 2.83Å; L80-C84 VanDerWaalsContact O-CA 3.26Å; L80-C84 WeakPolarHBondContact O-CA 3.39Å; L80-C84 PolarHBondContact O-N 3.36Å; L80-C84 PolarHBondContact O-SG 2.89Å; L80-T85 WeakPolarHBondContact CD2-O 3.24Å; L80-I93 HydrophobicContact CD2-CG1 3.75Å |
| 81 | N | 85.1 | Confident | 91.8 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.4 | -29.6 | 177.6 | -74.2 | -46.1 | 0 | 0 | 0 | 112.7 | K24 I27 D77 P78 W79 | K24-N81 WeakPolarHBondContact CG-OD1 3.4Å; I27-N81 WeakPolarHBondContact CD1-OD1 3.45Å; D77-N81 VanDerWaalsContact O-CG 3.29Å; D77-N81 PolarHBondContact O-N 3.11Å; D77-N81 VanDerWaalsContact O-N 3.07Å; D77-N81 PolarHBondContact O-ND2 3.05Å; P78-N81 PolarHBondContact O-N 2.62Å; W79-N81 VanDerWaalsContact C-N 3.3Å; W79-N81 PolarHBondContact O-N 2.93Å |
| 82 | E | 82.3 | Confident | 91.5 | Very high | 127 Ų | 127 | 54.6 Ų | 54.6 | 59% | 0.593 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -95.9 | -45.5 | -177.6 | -166.7 | 136.8 | -127.9 | 0 | 0 | 112.2 | P78 W79 L80 | P78-E82 PolarHBondContact O-N 2.81Å; W79-E82 PolarHBondContact O-N 3.39Å; L80-E82 PolarHBondContact O-N 2.83Å |
| 83 | H | 84.6 | Confident | 91.2 | Very high | 65 Ų | 65 | 54 Ų | 54 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -106.8 | -18.9 | -171.4 | -61.5 | -63.6 | 0 | 0 | 0 | 114.3 | W79 T85 | W79-H83 AromaticContact CD2-CD2 3.83Å; W79-H83 AromaticContact CE2-CD2 3.83Å; W79-H83 AromaticContact CE3-CD2 3.95Å; W79-H83 AromaticContact CZ2-CD2 3.97Å; W79-H83 PolarHBondContact O-N 3.33Å; H83-T85 WeakPolarHBondContact O-CG2 3.41Å; H83-T85 PolarHBondContact O-N 3.31Å |
| 84 | C | 88.9 | Confident | 90.7 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 5% | 0.054 | 27% | 0.267 | C | S | . | . | trans | 52 | 21.9 | -176.5 | -66.2 | 0 | 0 | 0 | 0 | 114.6 | L80 I93 L94 C105 | L80-C84 VanDerWaalsContact O-CA 3.26Å; L80-C84 WeakPolarHBondContact O-CA 3.39Å; L80-C84 PolarHBondContact O-N 3.36Å; L80-C84 PolarHBondContact O-SG 2.89Å; C84-I93 WeakPolarHBondContact O-CG1 3.36Å; C84-I93 PolarHBondContact O-N 3.3Å; C84-L94 HydrophobicContact CB-CD1 4.09Å; C84-L94 HydrophobicContact CB-CG 4.01Å; C84-C105 HydrophobicContact CB-CB 4.05Å | ||
| 85 | T | 91.7 | Very high | 90.2 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 18% | 0.184 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -123.6 | 153.1 | -176 | 52 | 0 | 0 | 0 | 0 | 111.7 | W79 L80 H83 L91 | W79-T85 PolarHBondContact NE1-O 3.41Å; L80-T85 WeakPolarHBondContact CD2-O 3.24Å; H83-T85 WeakPolarHBondContact O-CG2 3.41Å; H83-T85 PolarHBondContact O-N 3.31Å; T85-L91 CarbonylContact C-O 3.59Å; T85-L91 VanDerWaalsContact CA-O 3.29Å; T85-L91 WeakPolarHBondContact CA-O 3.11Å |
| 86 | C | 93.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -67.6 | 129.1 | 171.4 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | L65 H69 M88 C89 K90 L91 I93 | L65-C86 HydrophobicContact CD1-CB 3.77Å; H69-C86 PolarHBondContact ND1-SG 2.78Å; H69-C86 VanDerWaalsContact ND1-SG 3.44Å; C86-M88 PolarHBondContact O-N 3.06Å; C86-M88 PolarHBondContact SG-N 3.31Å; C86-M88 VanDerWaalsContact SG-N 3.4Å; C86-C89 VanDerWaalsContact CB-SG 3.59Å; C86-K90 WeakPolarHBondContact O-CA 3.39Å; C86-K90 PolarHBondContact O-N 3.18Å; C86-L91 HydrophobicContact CB-CB 4.47Å; C86-L91 PolarHBondContact N-O 3.41Å; C86-I93 HydrophobicContact CB-CD1 4.26Å | ||
| 87 | P | 92.9 | Very high | 89.1 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 16% | 0.156 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -34.9 | 175.4 | -26.6 | 33.8 | 0 | 0 | 0 | 113.6 | V51 F71 V76 W79 K90 | V51-P87 HydrophobicContact CG2-CG 4.33Å; F71-P87 HydrophobicContact CE1-CB 4.21Å; F71-P87 HydrophobicContact CE1-CG 4.11Å; F71-P87 HydrophobicContact CZ-CB 4.27Å; F71-P87 HydrophobicContact CZ-CG 4.09Å; V76-P87 HydrophobicContact CG2-CG 4.34Å; W79-P87 HydrophobicContact CD2-CG 4.24Å; W79-P87 HydrophobicContact CG-CG 4.03Å; P87-K90 PolarHBondContact O-NZ 3.01Å |
| 88 | M | 92.8 | Very high | 88.5 | Confident | 105 Ų | 105 | 59.5 Ų | 59.5 | 52% | 0.517 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -53.8 | -174.4 | -68 | -71 | -76 | 0 | 0 | 113.5 | A50 F71 C86 | A50-M88 HydrophobicContact CB-CG 4.23Å; A50-M88 HydrophobicContact CB-SD 3.45Å; A50-M88 WeakPolarHBondContact CB-SD 3.29Å; F71-M88 HydrophobicContact CE1-CG 3.92Å; F71-M88 HydrophobicContact CZ-CB 4.37Å; F71-M88 HydrophobicContact CZ-CG 3.6Å; C86-M88 PolarHBondContact O-N 3.06Å; C86-M88 PolarHBondContact SG-N 3.31Å; C86-M88 VanDerWaalsContact SG-N 3.4Å |
| 89 | C | 94.1 | Very high | 87.7 | Confident | 60 Ų | 60 | 58.6 Ų | 58.6 | 41% | 0.405 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 3.8 | -172.9 | 63.4 | 0 | 0 | 0 | 0 | 114.6 | C86 L91 | C86-C89 VanDerWaalsContact CB-SG 3.59Å; C89-L91 PolarHBondContact O-N 2.96Å |
| 90 | K | 92.1 | Very high | 86.3 | Confident | 129 Ų | 129 | 63 Ų | 63 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | trans | 59.1 | 9.9 | -179.6 | -47.9 | -52.8 | -175.8 | -165.3 | 0 | 115.4 | C86 P87 N92 | C86-K90 WeakPolarHBondContact O-CA 3.39Å; C86-K90 PolarHBondContact O-N 3.18Å; P87-K90 PolarHBondContact O-NZ 3.01Å; K90-N92 PolarHBondContact O-N 3.38Å | ||
| 91 | L | 91.3 | Very high | 84.8 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 38% | 0.377 | 35% | 0.352 | S | S | . | . | trans | -57.7 | 128.1 | 175.5 | -177.9 | 70.1 | 0 | 0 | 0 | 110.5 | C67 T85 C86 C89 I93 A96 | C67-L91 HydrophobicContact CB-CB 4.39Å; C67-L91 HydrophobicContact CB-CD2 3.65Å; T85-L91 CarbonylContact C-O 3.59Å; T85-L91 VanDerWaalsContact CA-O 3.29Å; T85-L91 WeakPolarHBondContact CA-O 3.11Å; C86-L91 HydrophobicContact CB-CB 4.47Å; C86-L91 PolarHBondContact N-O 3.41Å; C89-L91 PolarHBondContact O-N 2.96Å; L91-I93 WeakPolarHBondContact O-CD1 3.38Å; L91-I93 PolarHBondContact O-N 3.31Å; L91-A96 HydrophobicContact CD2-CB 4.17Å | ||
| 92 | N | 89.9 | Confident | 83.3 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 25% | 0.246 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 118.4 | 173.1 | -172.8 | -60.8 | 0 | 0 | 0 | 110.5 | K90 L94 K95 A96 | K90-N92 PolarHBondContact O-N 3.38Å; N92-L94 PolarHBondContact OD1-N 3.03Å; N92-L94 VanDerWaalsContact OD1-N 3.08Å; N92-K95 HydrophobicContact CB-CB 4.08Å; N92-K95 PolarHBondContact OD1-N 3.06Å; N92-A96 PolarHBondContact O-N 3.45Å; N92-A96 VanDerWaalsContact O-N 3.15Å |
| 93 | I | 89.9 | Confident | 82 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -77.5 | -34.2 | -171.6 | -51.6 | -59.6 | 0 | 0 | 0 | 111.5 | L30 L65 P66 L80 C84 C86 L91 A96 L97 | L30-I93 HydrophobicContact CD1-CG2 3.82Å; L30-I93 HydrophobicContact CD2-CG2 3.74Å; L30-I93 HydrophobicContact CG-CG2 4.32Å; L65-I93 HydrophobicContact CB-CD1 4.09Å; L65-I93 HydrophobicContact CD1-CD1 3.9Å; L65-I93 HydrophobicContact CD2-CD1 4.46Å; L65-I93 HydrophobicContact CG-CD1 4.37Å; P66-I93 HydrophobicContact CG-CG2 4.07Å; L80-I93 HydrophobicContact CD2-CG1 3.75Å; C84-I93 WeakPolarHBondContact O-CG1 3.36Å; C84-I93 PolarHBondContact O-N 3.3Å; C86-I93 HydrophobicContact CB-CD1 4.26Å; L91-I93 WeakPolarHBondContact O-CD1 3.38Å; L91-I93 PolarHBondContact O-N 3.31Å; I93-A96 PolarHBondContact O-N 3.37Å; I93-L97 HydrophobicContact CG2-CD1 4.25Å; I93-L97 VanDerWaalsContact O-CG 3.27Å; I93-L97 WeakPolarHBondContact O-CG 3.4Å; I93-L97 PolarHBondContact O-N 3.2Å |
| 94 | L | 85 | Confident | 80.4 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 176.3 | -61 | -175.7 | 0 | 0 | 0 | 111.2 | A26 C84 N92 L97 G98 I99 | A26-L94 HydrophobicContact CB-CD2 3.53Å; C84-L94 HydrophobicContact CB-CD1 4.09Å; C84-L94 HydrophobicContact CB-CG 4.01Å; N92-L94 PolarHBondContact OD1-N 3.03Å; N92-L94 VanDerWaalsContact OD1-N 3.08Å; L94-L97 PolarHBondContact O-N 3.41Å; L94-G98 PolarHBondContact O-N 3.32Å; L94-I99 PolarHBondContact O-N 3.01Å |
| 95 | K | 84.4 | Confident | 78.5 | Confident | 173 Ų | 173 | 67.2 Ų | 67.2 | 75% | 0.752 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 174 | -172.7 | 175.2 | -178.1 | 176 | 0 | 111.4 | N92 L97 G98 | N92-K95 HydrophobicContact CB-CB 4.08Å; N92-K95 PolarHBondContact OD1-N 3.06Å; K95-L97 PolarHBondContact O-N 3.25Å; K95-G98 PolarHBondContact O-N 3.26Å |
| 96 | A | 85.6 | Confident | 76.4 | Confident | 49 Ų | 49 | 70.4 Ų | 70.4 | 41% | 0.405 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.7 | -25.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P66 L91 N92 I93 G98 | P66-A96 HydrophobicContact CB-CB 3.75Å; P66-A96 HydrophobicContact CG-CB 3.93Å; L91-A96 HydrophobicContact CD2-CB 4.17Å; N92-A96 PolarHBondContact O-N 3.45Å; N92-A96 VanDerWaalsContact O-N 3.15Å; I93-A96 PolarHBondContact O-N 3.37Å; A96-G98 VanDerWaalsContact C-N 3.34Å |
| 97 | L | 82.2 | Confident | 74 | Confident | 65 Ų | 65 | 76.3 Ų | 76.3 | 34% | 0.34 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 1.9 | 174.9 | -67.4 | 174.5 | 0 | 0 | 0 | 113.7 | A26 L30 P66 I93 L94 K95 I99 | A26-L97 HydrophobicContact CB-CD1 4.4Å; L30-L97 HydrophobicContact CD2-CD1 3.87Å; L30-L97 HydrophobicContact CD2-CD2 4.04Å; L30-L97 HydrophobicContact CD2-CG 4.27Å; L30-L97 HydrophobicContact CG-CD1 4.36Å; P66-L97 HydrophobicContact CG-CD2 4.36Å; I93-L97 HydrophobicContact CG2-CD1 4.25Å; I93-L97 VanDerWaalsContact O-CG 3.27Å; I93-L97 WeakPolarHBondContact O-CG 3.4Å; I93-L97 PolarHBondContact O-N 3.2Å; L94-L97 PolarHBondContact O-N 3.41Å; K95-L97 PolarHBondContact O-N 3.25Å; L97-I99 HydrophobicContact CB-CD1 4.04Å; L97-I99 HydrophobicContact CB-CG1 4.18Å; L97-I99 HydrophobicContact CD1-CD1 4.44Å; L97-I99 PolarHBondContact O-N 3.07Å |
| 98 | G | 80.1 | Confident | 72 | Confident | 66 Ų | 66 | 79.7 Ų | 79.7 | 68% | 0.68 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 16.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | L94 K95 A96 M100 | L94-G98 PolarHBondContact O-N 3.32Å; K95-G98 PolarHBondContact O-N 3.26Å; A96-G98 VanDerWaalsContact C-N 3.34Å; G98-M100 PolarHBondContact O-N 3.17Å |
| 99 | I | 75.7 | Confident | 69.9 | Low | 59 Ų | 59 | 80.6 Ų | 80.6 | 30% | 0.303 | 48% | 0.477 | S | S | . | . | trans | -93.7 | 87.4 | 178.6 | -56.9 | 169.7 | 0 | 0 | 0 | 106.7 | A26 L94 L97 T101 | A26-I99 HydrophobicContact CB-CD1 3.4Å; L94-I99 PolarHBondContact O-N 3.01Å; L97-I99 HydrophobicContact CB-CD1 4.04Å; L97-I99 HydrophobicContact CB-CG1 4.18Å; L97-I99 HydrophobicContact CD1-CD1 4.44Å; L97-I99 PolarHBondContact O-N 3.07Å; I99-T101 VanDerWaalsContact C-N 3.34Å; I99-T101 HydrophobicContact CG2-CG2 4.36Å; I99-T101 PolarHBondContact O-N 2.94Å | ||
| 100 | M | 61.1 | Low | 67.6 | Low | 183 Ų | 183 | 82.6 Ų | 82.6 | 90% | 0.901 | 49% | 0.487 | S | S | * | . | trans | -69.4 | 92.9 | 174.4 | -171.1 | 179.7 | -59.4 | 0 | 0 | 108.8 | G98 | G98-M100 PolarHBondContact O-N 3.17Š| ||
| 101 | T | 57.7 | Low | 65.5 | Low | 48 Ų | 48 | 84.7 Ų | 84.7 | 29% | 0.294 | 50% | 0.503 | S | S | . | . | trans | -86.9 | 116.3 | 162.9 | 37.2 | 0 | 0 | 0 | 0 | 106.2 | L19 I99 L103 | L19-T101 HydrophobicContact CD1-CG2 4.07Å; I99-T101 VanDerWaalsContact C-N 3.34Å; I99-T101 HydrophobicContact CG2-CG2 4.36Å; I99-T101 PolarHBondContact O-N 2.94Å; T101-L103 PolarHBondContact O-N 3.11Å | ||
| 102 | S | 53.5 | Low | 63.4 | Low | 124 Ų | 124 | 88.2 Ų | 88.2 | 87% | 0.867 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -69 | 23.6 | 172 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 103 | L | 54.9 | Low | 61.5 | Low | 58 Ų | 58 | 92.4 Ų | 92.4 | 30% | 0.304 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -126 | 121.7 | -174.1 | -156.2 | 61.8 | 0 | 0 | 0 | 108.6 | L15 L19 T101 C105 | L15-L103 HydrophobicContact CD1-CD2 3.78Å; L15-L103 HydrophobicContact CD2-CD1 4.41Å; L15-L103 HydrophobicContact CD2-CD2 4.14Å; L15-L103 HydrophobicContact CG-CD2 3.89Å; L19-L103 HydrophobicContact CB-CD2 4.25Å; L19-L103 HydrophobicContact CD1-CB 4.17Å; L19-L103 HydrophobicContact CD1-CD2 4.01Å; L19-L103 HydrophobicContact CD2-CB 4.36Å; L19-L103 HydrophobicContact CD2-CD2 3.79Å; L19-L103 HydrophobicContact CD2-CG 4.13Å; L19-L103 HydrophobicContact CG-CD2 4.21Å; T101-L103 PolarHBondContact O-N 3.11Å; L103-C105 PolarHBondContact O-N 2.98Å |
| 104 | P | 50.6 | Low | 59.9 | Low | 91 Ų | 91 | 100.8 Ų | 100.8 | 59% | 0.591 | 59% | 0.588 | S | S | * | * | trans | -64.6 | 123.8 | -171.6 | 26.7 | -31.9 | 0 | 0 | 0 | 108.4 | V106 | P104-V106 PolarHBondContact O-N 3.37Š| ||
| 105 | C | 48.8 | Very low | 58.2 | Low | 24 Ų | 24 | 111.8 Ų | 111.8 | 16% | 0.162 | 63% | 0.63 | C | S | . | * | S | Bend | trans | -70.1 | 69.4 | 159.8 | -46.6 | 0 | 0 | 0 | 0 | 106.3 | C84 L103 D107 | C84-C105 HydrophobicContact CB-CB 4.05Å; L103-C105 PolarHBondContact O-N 2.98Å; C105-D107 PolarHBondContact O-N 2.95Å |
| 106 | V | 47.6 | Very low | 56.4 | Low | 97 Ų | 97 | 111.9 Ų | 111.9 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | trans | 24.5 | 73.4 | -178.3 | -64.2 | 0 | 0 | 0 | 0 | 115.7 | P104 A108 | P104-V106 PolarHBondContact O-N 3.37Å; V106-A108 PolarHBondContact O-N 3.32Å | ||
| 107 | D | 44 | Very low | 54.6 | Low | 123 Ų | 123 | 113.2 Ų | 113.2 | 66% | 0.658 | 66% | 0.656 | S | S | * | * | trans | -70.5 | 81.1 | 144.6 | -84.8 | -61.4 | 0 | 0 | 0 | 106.9 | C105 V109 | C105-D107 PolarHBondContact O-N 2.95Å; D107-V109 PolarHBondContact O-N 2.89Å | ||
| 108 | A | 51.8 | Low | 52.7 | Low | 96 Ų | 96 | 116.8 Ų | 116.8 | 79% | 0.793 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 26.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V106 | V106-A108 PolarHBondContact O-N 3.32Š|
| 109 | V | 46.8 | Very low | 50.7 | Low | 124 Ų | 124 | 116.9 Ų | 116.9 | 75% | 0.752 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | -0.8 | -179 | -119.3 | 0 | 0 | 0 | 0 | 114 | D107 | D107-V109 PolarHBondContact O-N 2.89Š|
| 110 | V | 47.3 | Very low | 49.2 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 61% | 0.612 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -135.4 | 57 | 177.8 | -161.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 111 | L | 48 | Very low | 47.9 | Very low | 174 Ų | 174 | 121.4 Ų | 121.4 | 91% | 0.911 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -134.5 | 53.5 | 150 | -68.3 | 179.2 | 0 | 0 | 0 | 108.6 | ||
| 112 | D | 46 | Very low | 47.5 | Very low | 145 Ų | 145 | 125.2 Ų | 125.2 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | -141.3 | 55.9 | 164.7 | -124.6 | -56.6 | 0 | 0 | 0 | 109.5 | ||||
| 113 | V | 50 | Low | 46.7 | Very low | 134 Ų | 134 | 123 Ų | 123 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | trans | -125 | 49.5 | 160.4 | -168 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 114 | E | 55.9 | Low | 46.1 | Very low | 178 Ų | 178 | 125.7 Ų | 125.7 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -131.8 | 132.8 | 150.3 | -74.2 | -167.7 | 94.2 | 0 | 0 | 106.3 | ||
| 115 | R | 49.5 | Very low | 46 | Very low | 236 Ų | 236 | 129.7 Ų | 129.7 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | trans | 100.2 | 43.3 | 163.1 | -146.6 | 168.4 | 65.8 | 172.6 | 3.3 | 119.2 | ||||
| 116 | L | 46.7 | Very low | 45.6 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -103.6 | 98.2 | 131.5 | -72.3 | 178.7 | 0 | 0 | 0 | 107.8 | V118 | L116-V118 PolarHBondContact O-N 3.32Š| ||
| 117 | G | 47.5 | Very low | 45.2 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -63.5 | 126.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 118 | V | 43.8 | Very low | 45.5 | Very low | 141 Ų | 141 | 139 Ų | 139 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -123.6 | 97.8 | 157.6 | 178.4 | 0 | 0 | 0 | 0 | 106.6 | L116 | L116-V118 PolarHBondContact O-N 3.32Š| ||
| 119 | G | 37.1 | Very low | 45 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -63.6 | 144.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 120 | Q | 44.3 | Very low | 44.7 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -53 | 138.3 | 176 | -60.1 | 163.3 | 47.1 | 0 | 0 | 111.9 | ||||
| 121 | T | 34.3 | Very low | 44.4 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -151.2 | 145.1 | 131.9 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 122 | S | 48.1 | Very low | 44.7 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | trans | -44.2 | 150.3 | -177.8 | -41.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 123 | G | 37.8 | Very low | 44.4 | Very low | 78 Ų | 78 | 143.1 Ų | 143.1 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 150.6 | 100.9 | 144.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 124 | S | 42.1 | Very low | 44.3 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | 83.8 | 93.8 | 135.9 | -142.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 125 | Q | 49.1 | Very low | 43.8 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | 32.2 | 123 | 128.8 | -55.4 | 179.7 | 2.2 | 0 | 0 | 120.9 | |||||
| 126 | R | 40.1 | Very low | 43.7 | Very low | 245 Ų | 245 | 134.6 Ų | 134.6 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | -179.8 | 126.7 | 107.5 | -98.3 | 174.1 | -179 | 172.2 | 0.6 | 111.8 | |||||
| 127 | A | 38.3 | Very low | 43.3 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | -93.5 | -178.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 128 | P | 51.6 | Low | 42.7 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | cis | -152.9 | -172.2 | 14.4 | 40.3 | -15.5 | 0 | 0 | 0 | 117.3 | ||||
| 129 | L | 40.3 | Very low | 42.5 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | 78.2 | 113.3 | 149.1 | -56.4 | -172.8 | 0 | 0 | 0 | 121.8 | ||||
| 130 | S | 41.1 | Very low | 42.6 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | 92.2 | 133.5 | 112.5 | -61.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 131 | D | 41.3 | Very low | 42.8 | Very low | 153 Ų | 153 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -167.5 | 151 | 71.6 | -164.3 | -114.1 | 0 | 0 | 0 | 111.5 | |||||
| 132 | Q | 53 | Low | 43 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -82.1 | 129.6 | -177.7 | -58.3 | 165.2 | 11.7 | 0 | 0 | 109.4 | ||||
| 133 | N | 40.1 | Very low | 42.5 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -157.1 | 107.2 | 150.5 | -151.4 | 1.9 | 0 | 0 | 0 | 113.2 | ||||
| 134 | Q | 47.8 | Very low | 42.3 | Very low | 165 Ų | 165 | 139 Ų | 139 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | trans | -105.9 | 139 | 152.9 | -96.8 | -80.2 | -23.4 | 0 | 0 | 106.4 | ||||
| 135 | P | 45.6 | Very low | 42.8 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | -135 | 135.2 | 131.3 | 28 | -11.9 | 0 | 0 | 0 | 113 | ||||
| 136 | S | 47.7 | Very low | 42.7 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | -57.8 | 145.9 | 156.8 | -49.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 137 | I | 38.7 | Very low | 42.6 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | 164.5 | 133.6 | 115.3 | 54.2 | 134 | 0 | 0 | 0 | 113.3 | |||||
| 138 | S | 35.3 | Very low | 43.6 | Very low | 88 Ų | 88 | 137 Ų | 137 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | trans | 72.4 | 118.1 | 136.7 | -76 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 139 | L | 38.4 | Very low | 43.5 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | 75.5 | 117.1 | 121.8 | -60.2 | 162.7 | 0 | 0 | 0 | 120.2 | |||||
| 140 | E | 39.8 | Very low | 43.8 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -34.2 | 162.7 | 150.6 | -98.7 | 177.6 | 85.5 | 0 | 0 | 115.7 | ||||
| 141 | P | 49.1 | Very low | 44.1 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | -157 | 174.9 | 56.6 | 38.7 | -15.4 | 0 | 0 | 0 | 120.6 | |||||
| 142 | A | 37.8 | Very low | 44.5 | Very low | 78 Ų | 78 | 136.5 Ų | 136.5 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | trans | 70.3 | 146.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 143 | E | 37 | Very low | 44.5 | Very low | 179 Ų | 179 | 133.9 Ų | 133.9 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | cis | -165.3 | 148 | -4.1 | -113.1 | 177.9 | 90.2 | 0 | 0 | 104.1 | ||||
| 144 | T | 34.6 | Very low | 45 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | -175.6 | 118.6 | 102.2 | -62.2 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 145 | A | 51.5 | Low | 45 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | -86.9 | -168.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 146 | P | 46.8 | Very low | 45.1 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | cis | -130.5 | 172.5 | -25 | 28.8 | -8.2 | 0 | 0 | 0 | 112.3 | ||||
| 147 | R | 38.2 | Very low | 45 | Very low | 246 Ų | 246 | 132.7 Ų | 132.7 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | trans | -146.3 | 117.4 | 145 | 50.9 | -176.1 | 166.1 | -120.3 | -2.8 | 110.6 | ||||
| 148 | T | 59.9 | Low | 45.7 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -73.7 | 161.6 | 168.3 | 51.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 149 | P | 49.6 | Very low | 46.7 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | -136.4 | 149.5 | 101.3 | 17.7 | 3.1 | 0 | 0 | 0 | 113.9 | |||||
| 150 | A | 47 | Very low | 47.3 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | trans | -74.1 | 149.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 151 | D | 46.1 | Very low | 47.9 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 23.9 | 114.4 | 135.9 | -120.7 | -81.8 | 0 | 0 | 0 | 118.7 | T153 | D151-T153 PolarHBondContact OD1-OG1 2.89Å; D151-T153 VanDerWaalsContact OD1-OG1 3.11Å | ||
| 152 | I | 50 | Low | 48.4 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -122.3 | 92.4 | 154.4 | -52.3 | 171.9 | 0 | 0 | 0 | 107.1 | V154 | I152-V154 HydrophobicContact CG2-CG1 4.27Å; I152-V154 PolarHBondContact O-N 2.94Å | ||
| 153 | T | 53.7 | Low | 49 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | -70.2 | 116.3 | 167.4 | -5.6 | 0 | 0 | 0 | 0 | 108.2 | D151 | D151-T153 PolarHBondContact OD1-OG1 2.89Å; D151-T153 VanDerWaalsContact OD1-OG1 3.11Å | ||
| 154 | V | 50.7 | Low | 50.1 | Low | 130 Ų | 130 | 141 Ų | 141 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | trans | -100.2 | 102 | 171.8 | -71.3 | 0 | 0 | 0 | 0 | 110.2 | I152 V156 | I152-V154 HydrophobicContact CG2-CG1 4.27Å; I152-V154 PolarHBondContact O-N 2.94Å; V154-V156 PolarHBondContact O-N 3.31Å | ||
| 155 | A | 48.3 | Very low | 50.7 | Low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -70.9 | 117.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 156 | V | 46.2 | Very low | 51 | Low | 148 Ų | 148 | 144.9 Ų | 144.9 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -91.3 | 100 | 168.2 | 60.5 | 0 | 0 | 0 | 0 | 108.7 | V154 | V154-V156 PolarHBondContact O-N 3.31Š| ||
| 157 | T | 46 | Very low | 51.8 | Low | 114 Ų | 114 | 144.9 Ų | 144.9 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -104.8 | 115.4 | 167.4 | 158.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 158 | S | 54.6 | Low | 52.3 | Low | 107 Ų | 107 | 144.4 Ų | 144.4 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 34.9 | 112.2 | 141.6 | -55.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 159 | K | 55 | Low | 51.9 | Low | 213 Ų | 213 | 145.4 Ų | 145.4 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | trans | -134.7 | 112.9 | 139.8 | -71.2 | -163.8 | 177.9 | -178.8 | 0 | 110.7 | ||||
| 160 | K | 51.3 | Low | 52.1 | Low | 192 Ų | 192 | 146.1 Ų | 146.1 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 138.3 | 168.8 | 174.2 | -179.1 | -179.8 | -172.8 | 0 | 109.7 | ||
| 161 | P | 53.4 | Low | 52.3 | Low | 120 Ų | 120 | 149.3 Ų | 149.3 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 133.6 | 162.8 | 28.5 | -26.3 | 0 | 0 | 0 | 110.7 | ||
| 162 | E | 59.3 | Low | 52.7 | Low | 173 Ų | 173 | 150.4 Ų | 150.4 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 142.5 | -176.6 | -169.2 | 172 | 82.3 | 0 | 0 | 111.6 | ||
| 163 | E | 49.2 | Very low | 52.9 | Low | 170 Ų | 170 | 150.1 Ų | 150.1 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 122.9 | 174.9 | -175.6 | -178.1 | 109.3 | 0 | 0 | 109.6 | ||
| 164 | Q | 60.2 | Low | 52.8 | Low | 162 Ų | 162 | 152.1 Ų | 152.1 | 76% | 0.757 | 82% | 0.816 | S | S | * | * | trans | -109.8 | 92.3 | 164.9 | -68.3 | -166.9 | 8.9 | 0 | 0 | 108.9 | ||||
| 165 | N | 47.7 | Very low | 53 | Low | 113 Ų | 113 | 153.6 Ų | 153.6 | 60% | 0.604 | 82% | 0.818 | S | S | * | * | trans | -74.4 | 121.4 | 160.4 | -175.9 | 0.8 | 0 | 0 | 0 | 108.2 | ||||
| 166 | F | 58 | Low | 53.3 | Low | 189 Ų | 189 | 158.2 Ų | 158.2 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | -122.7 | 101.3 | 160.5 | -98.8 | -86.8 | 0 | 0 | 0 | 107.8 | ||||
| 167 | T | 62.7 | Low | 53.9 | Low | 120 Ų | 120 | 159.1 Ų | 159.1 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | -79.8 | 120.8 | 158.2 | 13.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 168 | N | 49.6 | Very low | 54.6 | Low | 236 Ų | 236 | 163.2 Ų | 163.2 | 100% | 1.262 | 83% | 0.825 | S | S | * | * | -168.7 | 0 | 120.2 | -147.4 | -4.5 | 0 | 0 | 0 | 109.3 |
Retrieved 168 of 168 residues in 785 ms
(Link to these results)