| 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 | 61.4 | Low | 75.5 | Confident | 211 Ų | 211 | 96.8 Ų | 96.8 | 100% | 1.039 | 61% | 0.61 | S | S | * | * | 0 | -23.2 | 0 | -58.6 | -158.8 | -156.4 | 0 | 0 | 113.9 | S4 | M1-S4 PolarHBondContact O-OG 3.33Š| |||
| 2 | A | 61.7 | Low | 76.8 | Confident | 75 Ų | 75 | 98.8 Ų | 98.8 | 62% | 0.62 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74.8 | -39.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S4 M5 V6 | A2-S4 VanDerWaalsContact C-N 3.3Å; A2-S4 PolarHBondContact O-N 3.15Å; A2-M5 PolarHBondContact O-N 3.4Å; A2-M5 VanDerWaalsContact O-N 3.15Å; A2-V6 PolarHBondContact O-N 2.88Å |
| 3 | S | 60.5 | Low | 77.8 | Confident | 102 Ų | 102 | 95.2 Ų | 95.2 | 71% | 0.713 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.4 | -29.7 | -176.7 | -38.1 | 0 | 0 | 0 | 0 | 113.9 | A7 | S3-A7 PolarHBondContact O-N 2.87Å |
| 4 | S | 67.6 | Low | 78.8 | Confident | 72 Ų | 72 | 92.8 Ų | 92.8 | 50% | 0.503 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72 | -34 | 174.8 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | M1 A2 V8 | M1-S4 PolarHBondContact O-OG 3.33Å; A2-S4 VanDerWaalsContact C-N 3.3Å; A2-S4 PolarHBondContact O-N 3.15Å; S4-V8 VanDerWaalsContact O-CG2 3.23Å; S4-V8 WeakPolarHBondContact O-CG2 3.41Å; S4-V8 PolarHBondContact O-N 3.07Å; S4-V8 VanDerWaalsContact O-N 3.12Å |
| 5 | M | 74.6 | Confident | 79.6 | Confident | 148 Ų | 148 | 90.9 Ų | 90.9 | 73% | 0.729 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72 | -36.1 | 177.7 | -62.3 | -167.3 | 106.2 | 0 | 0 | 112 | A2 G9 | A2-M5 PolarHBondContact O-N 3.4Å; A2-M5 VanDerWaalsContact O-N 3.15Å; M5-G9 PolarHBondContact O-N 3.5Å |
| 6 | V | 79.4 | Confident | 80.3 | Confident | 92 Ų | 92 | 88.2 Ų | 88.2 | 56% | 0.558 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.4 | -42.5 | 175.8 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | A2 G9 L10 | A2-V6 PolarHBondContact O-N 2.88Å; V6-G9 PolarHBondContact O-N 3.04Å; V6-L10 HydrophobicContact CG1-CD1 4.09Å; V6-L10 WeakPolarHBondContact O-CG 3.42Å; V6-L10 PolarHBondContact O-N 3.31Å |
| 7 | A | 81.6 | Confident | 80.8 | Confident | 58 Ų | 58 | 92.4 Ų | 92.4 | 48% | 0.479 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.4 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S3 L10 A11 | S3-A7 PolarHBondContact O-N 2.87Å; A7-L10 PolarHBondContact O-N 3.47Å; A7-A11 WeakPolarHBondContact O-CB 3.26Å; A7-A11 PolarHBondContact O-N 3.27Å |
| 8 | V | 86.8 | Confident | 81.3 | Confident | 87 Ų | 87 | 90.7 Ų | 90.7 | 53% | 0.527 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.1 | -42.4 | 175.3 | 172 | 0 | 0 | 0 | 0 | 111.1 | S4 A11 L12 | S4-V8 VanDerWaalsContact O-CG2 3.23Å; S4-V8 WeakPolarHBondContact O-CG2 3.41Å; S4-V8 PolarHBondContact O-N 3.07Å; S4-V8 VanDerWaalsContact O-N 3.12Å; V8-A11 PolarHBondContact O-N 3.09Å; V8-L12 HydrophobicContact CG1-CD1 3.95Å; V8-L12 HydrophobicContact CG1-CG 4.49Å; V8-L12 WeakPolarHBondContact O-CG 3.03Å; V8-L12 PolarHBondContact O-N 3.47Å |
| 9 | G | 83.9 | Confident | 81.7 | Confident | 40 Ų | 40 | 87.6 Ų | 87.6 | 41% | 0.412 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.9 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M5 V6 L12 A13 | M5-G9 PolarHBondContact O-N 3.5Å; V6-G9 PolarHBondContact O-N 3.04Å; G9-L12 PolarHBondContact O-N 3.49Å; G9-A13 WeakPolarHBondContact O-CB 3.44Å; G9-A13 PolarHBondContact O-N 2.95Å |
| 10 | L | 89.8 | Confident | 81.7 | Confident | 119 Ų | 119 | 91.8 Ų | 91.8 | 62% | 0.623 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.9 | -39.8 | 177.8 | -73.2 | 172.1 | 0 | 0 | 0 | 112.5 | V6 A7 A13 A14 | V6-L10 HydrophobicContact CG1-CD1 4.09Å; V6-L10 WeakPolarHBondContact O-CG 3.42Å; V6-L10 PolarHBondContact O-N 3.31Å; A7-L10 PolarHBondContact O-N 3.47Å; L10-A13 PolarHBondContact O-N 3.37Å; L10-A14 WeakPolarHBondContact O-CB 3.44Å; L10-A14 PolarHBondContact O-N 3.21Å |
| 11 | A | 83.8 | Confident | 81.9 | Confident | 61 Ų | 61 | 96 Ų | 96 | 50% | 0.504 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.8 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | A7 V8 A14 A15 | A7-A11 WeakPolarHBondContact O-CB 3.26Å; A7-A11 PolarHBondContact O-N 3.27Å; V8-A11 PolarHBondContact O-N 3.09Å; A11-A14 PolarHBondContact O-N 3.49Å; A11-A15 WeakPolarHBondContact O-CB 3.3Å; A11-A15 PolarHBondContact O-N 3.31Å |
| 12 | L | 91 | Very high | 83 | Confident | 120 Ų | 120 | 88.1 Ų | 88.1 | 63% | 0.628 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.1 | -40.6 | 176.3 | -71.3 | 170.7 | 0 | 0 | 0 | 111.9 | V8 G9 A15 G16 | V8-L12 HydrophobicContact CG1-CD1 3.95Å; V8-L12 HydrophobicContact CG1-CG 4.49Å; V8-L12 WeakPolarHBondContact O-CG 3.03Å; V8-L12 PolarHBondContact O-N 3.47Å; G9-L12 PolarHBondContact O-N 3.49Å; L12-A15 PolarHBondContact O-N 3.45Å; L12-G16 PolarHBondContact O-N 2.97Å |
| 13 | A | 89.1 | Confident | 83.8 | Confident | 52 Ų | 52 | 90.6 Ų | 90.6 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G9 L10 G16 F17 | G9-A13 WeakPolarHBondContact O-CB 3.44Å; G9-A13 PolarHBondContact O-N 2.95Å; L10-A13 PolarHBondContact O-N 3.37Å; A13-G16 PolarHBondContact O-N 3.21Å; A13-F17 PolarHBondContact O-N 3.14Å |
| 14 | A | 91.4 | Very high | 84.6 | Confident | 62 Ų | 62 | 91.7 Ų | 91.7 | 51% | 0.512 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L10 A11 F17 A18 | L10-A14 WeakPolarHBondContact O-CB 3.44Å; L10-A14 PolarHBondContact O-N 3.21Å; A11-A14 PolarHBondContact O-N 3.49Å; A14-F17 PolarHBondContact O-N 3.37Å; A14-A18 WeakPolarHBondContact O-CB 3.46Å; A14-A18 PolarHBondContact O-N 3.32Å |
| 15 | A | 91.9 | Very high | 85.2 | Confident | 65 Ų | 65 | 90 Ų | 90 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A11 L12 G19 | A11-A15 WeakPolarHBondContact O-CB 3.3Å; A11-A15 PolarHBondContact O-N 3.31Å; L12-A15 PolarHBondContact O-N 3.45Å; A15-G19 PolarHBondContact O-N 3.33Å |
| 16 | G | 90.2 | Very high | 85 | Confident | 47 Ų | 47 | 87.4 Ų | 87.4 | 49% | 0.485 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L12 A13 R20 | L12-G16 PolarHBondContact O-N 2.97Å; A13-G16 PolarHBondContact O-N 3.21Å; G16-R20 WeakPolarHBondContact O-CB 3.4Å; G16-R20 PolarHBondContact O-N 3.42Å |
| 17 | F | 89.5 | Confident | 84.4 | Confident | 159 Ų | 159 | 90.4 Ų | 90.4 | 70% | 0.697 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.7 | -45.3 | 177.5 | -102.4 | -87.9 | 0 | 0 | 0 | 112.7 | A13 A14 G19 R20 Y21 | A13-F17 PolarHBondContact O-N 3.14Å; A14-F17 PolarHBondContact O-N 3.37Å; F17-G19 VanDerWaalsContact C-N 3.34Å; F17-G19 PolarHBondContact O-N 3.02Å; F17-R20 PolarHBondContact O-N 3.22Å; F17-Y21 WeakPolarHBondContact O-CB 3.05Å; F17-Y21 PolarHBondContact O-N 3.33Å |
| 18 | A | 89.3 | Confident | 83.8 | Confident | 62 Ų | 62 | 96.1 Ų | 96.1 | 51% | 0.512 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A14 Y21 A22 | A14-A18 WeakPolarHBondContact O-CB 3.46Å; A14-A18 PolarHBondContact O-N 3.32Å; A18-Y21 PolarHBondContact O-N 3.48Å; A18-A22 WeakPolarHBondContact O-CB 3.5Å; A18-A22 PolarHBondContact O-N 2.85Å |
| 19 | G | 87.9 | Confident | 82.8 | Confident | 33 Ų | 33 | 97.1 Ų | 97.1 | 34% | 0.34 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A15 F17 Y21 A22 M23 | A15-G19 PolarHBondContact O-N 3.33Å; F17-G19 VanDerWaalsContact C-N 3.34Å; F17-G19 PolarHBondContact O-N 3.02Å; G19-Y21 PolarHBondContact O-N 3.49Å; G19-A22 PolarHBondContact O-N 2.89Å; G19-M23 WeakPolarHBondContact O-CG 3.49Å; G19-M23 PolarHBondContact O-N 3.49Å |
| 20 | R | 82.8 | Confident | 81.9 | Confident | 171 Ų | 171 | 99.7 Ų | 99.7 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | 176.5 | -172.2 | -178.8 | 178.8 | 161.2 | 1.4 | 112 | G16 F17 M23 Q24 | G16-R20 WeakPolarHBondContact O-CB 3.4Å; G16-R20 PolarHBondContact O-N 3.42Å; F17-R20 PolarHBondContact O-N 3.22Å; R20-M23 PolarHBondContact O-N 2.86Å; R20-Q24 PolarHBondContact O-N 3.06Å |
| 21 | Y | 85.8 | Confident | 80.7 | Confident | 179 Ų | 179 | 98.6 Ų | 98.6 | 70% | 0.702 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67 | -43.1 | 178.7 | -162.4 | -93 | 0 | 0 | 0 | 111.7 | F17 A18 G19 M23 Q24 A25 | F17-Y21 WeakPolarHBondContact O-CB 3.05Å; F17-Y21 PolarHBondContact O-N 3.33Å; A18-Y21 PolarHBondContact O-N 3.48Å; G19-Y21 PolarHBondContact O-N 3.49Å; Y21-M23 VanDerWaalsContact C-N 3.35Å; Y21-M23 PolarHBondContact O-N 3.4Å; Y21-Q24 PolarHBondContact O-N 3.36Å; Y21-A25 WeakPolarHBondContact O-CB 3.49Å; Y21-A25 PolarHBondContact O-N 3.1Å |
| 22 | A | 84.3 | Confident | 79.8 | Confident | 46 Ų | 46 | 102.5 Ų | 102.5 | 38% | 0.38 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.1 | -44 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A18 G19 Q24 A25 M26 | A18-A22 WeakPolarHBondContact O-CB 3.5Å; A18-A22 PolarHBondContact O-N 2.85Å; G19-A22 PolarHBondContact O-N 2.89Å; A22-Q24 VanDerWaalsContact C-N 3.34Å; A22-Q24 PolarHBondContact O-N 2.97Å; A22-A25 PolarHBondContact O-N 3.42Å; A22-M26 WeakPolarHBondContact O-CB 3.21Å; A22-M26 VanDerWaalsContact O-CG 3.31Å; A22-M26 WeakPolarHBondContact O-CG 3.28Å; A22-M26 PolarHBondContact O-N 3.28Å |
| 23 | M | 79.6 | Confident | 78.8 | Confident | 127 Ų | 127 | 99.1 Ų | 99.1 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 175.5 | -77.6 | -167.8 | -76.7 | 0 | 0 | 112.8 | G19 R20 Y21 M26 K27 | G19-M23 WeakPolarHBondContact O-CG 3.49Å; G19-M23 PolarHBondContact O-N 3.49Å; R20-M23 PolarHBondContact O-N 2.86Å; Y21-M23 VanDerWaalsContact C-N 3.35Å; Y21-M23 PolarHBondContact O-N 3.4Å; M23-M26 HydrophobicContact CG-CE 4.22Å; M23-M26 PolarHBondContact O-N 2.88Å; M23-K27 PolarHBondContact O-N 3.11Å; M23-K27 VanDerWaalsContact O-N 3.12Å |
| 24 | Q | 77.4 | Confident | 77.8 | Confident | 125 Ų | 125 | 102 Ų | 102 | 58% | 0.584 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.7 | -36.3 | 179.3 | -163.7 | 162.8 | -1.9 | 0 | 0 | 112.2 | R20 Y21 A22 K27 | R20-Q24 PolarHBondContact O-N 3.06Å; Y21-Q24 PolarHBondContact O-N 3.36Å; A22-Q24 VanDerWaalsContact C-N 3.34Å; A22-Q24 PolarHBondContact O-N 2.97Å; Q24-K27 PolarHBondContact O-N 3.08Å |
| 25 | A | 79 | Confident | 76.6 | Confident | 37 Ų | 37 | 105.6 Ų | 105.6 | 31% | 0.306 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y21 A22 K27 Q28 | Y21-A25 WeakPolarHBondContact O-CB 3.49Å; Y21-A25 PolarHBondContact O-N 3.1Å; A22-A25 PolarHBondContact O-N 3.42Å; A25-K27 VanDerWaalsContact C-N 3.27Å; A25-K27 PolarHBondContact O-N 3.39Å; A25-Q28 PolarHBondContact O-N 3.46Å; A25-Q28 VanDerWaalsContact O-N 3.14Å |
| 26 | M | 70.1 | Confident | 75.7 | Confident | 93 Ų | 93 | 104.6 Ų | 104.6 | 46% | 0.458 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -30.6 | 176.1 | -74.8 | -170.4 | -70.9 | 0 | 0 | 112.9 | A22 M23 Q28 M29 E30 V33 | A22-M26 WeakPolarHBondContact O-CB 3.21Å; A22-M26 VanDerWaalsContact O-CG 3.31Å; A22-M26 WeakPolarHBondContact O-CG 3.28Å; A22-M26 PolarHBondContact O-N 3.28Å; M23-M26 HydrophobicContact CG-CE 4.22Å; M23-M26 PolarHBondContact O-N 2.88Å; M26-Q28 PolarHBondContact O-N 3.15Å; M26-M29 CarbonylContact O-C 3.45Å; M26-M29 PolarHBondContact O-N 2.94Å; M26-E30 PolarHBondContact O-N 3.28Å; M26-V33 HydrophobicContact CB-CG2 4.46Å; M26-V33 HydrophobicContact CG-CG2 4.48Å |
| 27 | K | 67.4 | Low | 74.8 | Confident | 156 Ų | 156 | 108.4 Ų | 108.4 | 68% | 0.678 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.3 | -25.4 | 175.5 | -165.9 | 176.7 | 179.9 | -178.8 | 0 | 113 | M23 Q24 A25 | M23-K27 PolarHBondContact O-N 3.11Å; M23-K27 VanDerWaalsContact O-N 3.12Å; Q24-K27 PolarHBondContact O-N 3.08Å; A25-K27 VanDerWaalsContact C-N 3.27Å; A25-K27 PolarHBondContact O-N 3.39Å |
| 28 | Q | 68.1 | Low | 73.7 | Confident | 178 Ų | 178 | 108.3 Ų | 108.3 | 83% | 0.832 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -83.6 | -13.6 | 174.7 | -64.6 | -168.6 | -25.7 | 0 | 0 | 113 | A25 M26 | A25-Q28 PolarHBondContact O-N 3.46Å; A25-Q28 VanDerWaalsContact O-N 3.14Å; M26-Q28 PolarHBondContact O-N 3.15Å |
| 29 | M | 67.3 | Low | 72.7 | Confident | 107 Ų | 107 | 109.8 Ų | 109.8 | 53% | 0.527 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.5 | 30.2 | 177.9 | -56.7 | -178.9 | -155.7 | 0 | 0 | 111.8 | M26 P31 Q32 V33 | M26-M29 CarbonylContact O-C 3.45Å; M26-M29 PolarHBondContact O-N 2.94Å; M29-P31 VanDerWaalsContact C-CD 3.49Å; M29-Q32 PolarHBondContact O-N 3.02Å; M29-V33 HydrophobicContact CB-CG2 4.01Å; M29-V33 WeakPolarHBondContact O-CB 3.36Å; M29-V33 VanDerWaalsContact O-CG2 3.3Å; M29-V33 WeakPolarHBondContact O-CG2 3.13Å; M29-V33 PolarHBondContact O-N 3.11Å |
| 30 | E | 64 | Low | 71.9 | Confident | 94 Ų | 94 | 113.7 Ų | 113.7 | 44% | 0.439 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -46.9 | -49.1 | -175.9 | -95.4 | -144.5 | 177.1 | 0 | 0 | 115.6 | M26 Q32 K34 | M26-E30 PolarHBondContact O-N 3.28Å; E30-Q32 PolarHBondContact O-N 3.44Å; E30-K34 WeakPolarHBondContact O-CB 3.4Å; E30-K34 VanDerWaalsContact O-CG 3.27Å; E30-K34 WeakPolarHBondContact O-CG 3.4Å; E30-K34 PolarHBondContact O-N 2.94Å; E30-K34 IonicContact OE2-NZ 3.14Å; E30-K34 PolarHBondContact OE2-NZ 3.12Å |
| 31 | P | 64.3 | Low | 71.1 | Confident | 96 Ų | 96 | 109 Ų | 109 | 62% | 0.623 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.3 | -36.2 | -174.3 | 23.9 | -31.5 | 0 | 0 | 0 | 112.8 | M29 Q35 | M29-P31 VanDerWaalsContact C-CD 3.49Å; P31-Q35 PolarHBondContact O-N 2.83Å |
| 32 | Q | 65 | Low | 69.9 | Low | 144 Ų | 144 | 109.3 Ų | 109.3 | 67% | 0.673 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -77 | -38.3 | 179.5 | -65.1 | -178.9 | 37.1 | 0 | 0 | 111.8 | M29 E30 Q35 A36 | M29-Q32 PolarHBondContact O-N 3.02Å; E30-Q32 PolarHBondContact O-N 3.44Å; Q32-Q35 PolarHBondContact O-N 3.38Å; Q32-A36 WeakPolarHBondContact O-CB 3.41Å; Q32-A36 PolarHBondContact O-N 3.48Å |
| 33 | V | 71.1 | Confident | 68.9 | Low | 49 Ų | 49 | 112 Ų | 112 | 30% | 0.297 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.8 | -41.9 | 175.8 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | M26 M29 Q35 A36 L37 | M26-V33 HydrophobicContact CB-CG2 4.46Å; M26-V33 HydrophobicContact CG-CG2 4.48Å; M29-V33 HydrophobicContact CB-CG2 4.01Å; M29-V33 WeakPolarHBondContact O-CB 3.36Å; M29-V33 VanDerWaalsContact O-CG2 3.3Å; M29-V33 WeakPolarHBondContact O-CG2 3.13Å; M29-V33 PolarHBondContact O-N 3.11Å; V33-Q35 VanDerWaalsContact C-N 3.33Å; V33-Q35 PolarHBondContact O-N 2.97Å; V33-A36 PolarHBondContact O-N 3.46Å; V33-L37 WeakPolarHBondContact O-CB 3.27Å; V33-L37 PolarHBondContact O-N 3.02Å |
| 34 | K | 66.9 | Low | 68.2 | Low | 111 Ų | 111 | 109.2 Ų | 109.2 | 48% | 0.483 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.3 | -41.9 | 174.8 | -78.2 | 171.2 | 174.3 | 165.9 | 0 | 111.9 | E30 L37 Q38 | E30-K34 WeakPolarHBondContact O-CB 3.4Å; E30-K34 VanDerWaalsContact O-CG 3.27Å; E30-K34 WeakPolarHBondContact O-CG 3.4Å; E30-K34 PolarHBondContact O-N 2.94Å; E30-K34 IonicContact OE2-NZ 3.14Å; E30-K34 PolarHBondContact OE2-NZ 3.12Å; K34-L37 PolarHBondContact O-N 2.94Å; K34-Q38 WeakPolarHBondContact O-CB 3.44Å; K34-Q38 WeakPolarHBondContact O-CG 3.41Å; K34-Q38 PolarHBondContact O-N 3.37Å |
| 35 | Q | 68 | Low | 67.5 | Low | 138 Ų | 138 | 111.9 Ų | 111.9 | 65% | 0.645 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.4 | -39.9 | 178.8 | -166.1 | 171.1 | 5.5 | 0 | 0 | 112.3 | P31 Q32 V33 Q38 S39 | P31-Q35 PolarHBondContact O-N 2.83Å; Q32-Q35 PolarHBondContact O-N 3.38Å; V33-Q35 VanDerWaalsContact C-N 3.33Å; V33-Q35 PolarHBondContact O-N 2.97Å; Q35-Q38 PolarHBondContact O-N 3.3Å; Q35-S39 PolarHBondContact O-N 2.97Å; Q35-S39 PolarHBondContact O-OG 3.03Å |
| 36 | A | 72.1 | Confident | 66.5 | Low | 44 Ų | 44 | 112.8 Ų | 112.8 | 36% | 0.364 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.8 | -45.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q32 V33 Q38 S39 F40 | Q32-A36 WeakPolarHBondContact O-CB 3.41Å; Q32-A36 PolarHBondContact O-N 3.48Å; V33-A36 PolarHBondContact O-N 3.46Å; A36-Q38 VanDerWaalsContact C-N 3.25Å; A36-Q38 PolarHBondContact O-N 3.21Å; A36-S39 PolarHBondContact O-N 2.93Å; A36-S39 VanDerWaalsContact O-N 3.17Å; A36-S39 PolarHBondContact O-OG 3.19Å; A36-F40 WeakPolarHBondContact O-CD2 3.36Å; A36-F40 PolarHBondContact O-N 2.98Å |
| 37 | L | 71.3 | Confident | 66 | Low | 127 Ų | 127 | 110.8 Ų | 110.8 | 67% | 0.665 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.4 | -33.4 | 176.4 | -133.7 | 81.9 | 0 | 0 | 0 | 112.8 | V33 K34 | V33-L37 WeakPolarHBondContact O-CB 3.27Å; V33-L37 PolarHBondContact O-N 3.02Å; K34-L37 PolarHBondContact O-N 2.94Å |
| 38 | Q | 67.1 | Low | 66 | Low | 157 Ų | 157 | 106.3 Ų | 106.3 | 73% | 0.734 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -76.8 | -28.7 | 176.6 | -74.6 | 172.4 | 8.4 | 0 | 0 | 113.3 | K34 Q35 A36 F40 | K34-Q38 WeakPolarHBondContact O-CB 3.44Å; K34-Q38 WeakPolarHBondContact O-CG 3.41Å; K34-Q38 PolarHBondContact O-N 3.37Å; Q35-Q38 PolarHBondContact O-N 3.3Å; A36-Q38 VanDerWaalsContact C-N 3.25Å; A36-Q38 PolarHBondContact O-N 3.21Å; Q38-F40 VanDerWaalsContact C-N 3.33Å |
| 39 | S | 68.3 | Low | 66.5 | Low | 94 Ų | 94 | 108.7 Ų | 108.7 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -80.7 | -15.1 | 173.7 | 66.5 | 0 | 0 | 0 | 0 | 112.8 | Q35 A36 P41 | Q35-S39 PolarHBondContact O-N 2.97Å; Q35-S39 PolarHBondContact O-OG 3.03Å; A36-S39 PolarHBondContact O-N 2.93Å; A36-S39 VanDerWaalsContact O-N 3.17Å; A36-S39 PolarHBondContact O-OG 3.19Å; S39-P41 WeakPolarHBondContact O-CD 3.43Å |
| 40 | F | 70 | Confident | 67.3 | Low | 115 Ų | 115 | 112 Ų | 112 | 50% | 0.504 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -63.7 | 121.2 | 166.7 | -81.7 | -77.3 | 0 | 0 | 0 | 109.4 | A36 Q38 K42 | A36-F40 WeakPolarHBondContact O-CD2 3.36Å; A36-F40 PolarHBondContact O-N 2.98Å; Q38-F40 VanDerWaalsContact C-N 3.33Å; F40-K42 PolarHBondContact O-N 2.94Å; F40-K42 VanDerWaalsContact O-N 3.13Å |
| 41 | P | 65.9 | Low | 68.3 | Low | 73 Ų | 73 | 111.4 Ų | 111.4 | 47% | 0.474 | 62% | 0.623 | S | S | . | * | trans | -62.2 | 123.2 | -178.1 | 23.6 | -30.7 | 0 | 0 | 0 | 108.6 | S39 T43 A44 | S39-P41 WeakPolarHBondContact O-CD 3.43Å; P41-T43 PolarHBondContact O-N 3.19Å; P41-A44 HydrophobicContact CG-CB 4.21Å; P41-A44 VanDerWaalsContact O-CB 3.27Å; P41-A44 WeakPolarHBondContact O-CB 3.41Å; P41-A44 PolarHBondContact O-N 3.31Å | ||
| 42 | K | 61 | Low | 69.4 | Low | 185 Ų | 185 | 110.5 Ų | 110.5 | 80% | 0.804 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -56 | -17.7 | 177.5 | -66.5 | 178.5 | -179 | 172.5 | 0 | 112.9 | F40 A44 | F40-K42 PolarHBondContact O-N 2.94Å; F40-K42 VanDerWaalsContact O-N 3.13Å; K42-A44 VanDerWaalsContact C-N 3.32Å |
| 43 | T | 62.4 | Low | 70.7 | Confident | 101 Ų | 101 | 107.3 Ų | 107.3 | 62% | 0.62 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -72.2 | -19.4 | 172.4 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | P41 F45 G46 G47 | P41-T43 PolarHBondContact O-N 3.19Å; T43-F45 VanDerWaalsContact C-N 3.28Å; T43-F45 PolarHBondContact O-N 2.93Å; T43-G46 PolarHBondContact O-N 2.95Å; T43-G47 PolarHBondContact O-N 3.1Å |
| 44 | A | 65.6 | Low | 71.8 | Confident | 70 Ų | 70 | 108.3 Ų | 108.3 | 58% | 0.579 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -71.5 | -21 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P41 K42 | P41-A44 HydrophobicContact CG-CB 4.21Å; P41-A44 VanDerWaalsContact O-CB 3.27Å; P41-A44 WeakPolarHBondContact O-CB 3.41Å; P41-A44 PolarHBondContact O-N 3.31Å; K42-A44 VanDerWaalsContact C-N 3.32Å |
| 45 | F | 63.3 | Low | 73.1 | Confident | 181 Ų | 181 | 107 Ų | 107 | 79% | 0.794 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -103.7 | 22.3 | 178.4 | -68.9 | -77.5 | 0 | 0 | 0 | 113.5 | T43 | T43-F45 VanDerWaalsContact C-N 3.28Å; T43-F45 PolarHBondContact O-N 2.93Å |
| 46 | G | 58.4 | Low | 74.3 | Confident | 55 Ų | 55 | 107.2 Ų | 107.2 | 57% | 0.567 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 108 | 105.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | T43 G48 | T43-G46 PolarHBondContact O-N 2.95Å; G46-G48 PolarHBondContact O-N 3.24Å |
| 47 | G | 58.1 | Low | 75.4 | Confident | 51 Ų | 51 | 113.2 Ų | 113.2 | 53% | 0.526 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -47.5 | 130.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | T43 Y49 | T43-G47 PolarHBondContact O-N 3.1Å; G47-Y49 PolarHBondContact O-N 3.31Å |
| 48 | G | 68.9 | Low | 76.6 | Confident | 62 Ų | 62 | 107.8 Ų | 107.8 | 64% | 0.639 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 137.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G46 | G46-G48 PolarHBondContact O-N 3.24Š|
| 49 | Y | 77.4 | Confident | 78 | Confident | 228 Ų | 228 | 102.7 Ų | 102.7 | 89% | 0.894 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 143.3 | 175.2 | -59.8 | -85.1 | 0 | 0 | 0 | 110.3 | G47 G51 | G47-Y49 PolarHBondContact O-N 3.31Å; Y49-G51 PolarHBondContact O-N 2.89Å |
| 50 | Y | 83.9 | Confident | 79.2 | Confident | 176 Ų | 176 | 101 Ų | 101 | 69% | 0.69 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 122 | 169.4 | -64.8 | -75.8 | 0 | 0 | 0 | 108.3 | L65 | Y50-L65 HydrophobicContact CE1-CD1 4.44Å; Y50-L65 HydrophobicContact CE2-CD1 4.45Å; Y50-L65 HydrophobicContact CE2-CD2 4.27Å; Y50-L65 WeakPolarHBondContact OH-CD2 3.46Å |
| 51 | G | 84.6 | Confident | 80.4 | Confident | 82 Ų | 82 | 104.2 Ų | 104.2 | 85% | 0.845 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -70.2 | 135.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y49 | Y49-G51 PolarHBondContact O-N 2.89Š|
| 52 | G | 89.1 | Confident | 81.8 | Confident | 78 Ų | 78 | 101.6 Ų | 101.6 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 105.6 | -172.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 53 | G | 91.8 | Very high | 83.5 | Confident | 77 Ų | 77 | 92.8 Ų | 92.8 | 79% | 0.794 | 55% | 0.548 | S | S | * | . | trans | -100.8 | -169.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 54 | F | 94.7 | Very high | 85.1 | Confident | 70 Ų | 70 | 88.2 Ų | 88.2 | 31% | 0.307 | 52% | 0.521 | S | S | . | . | trans | -63.5 | 150.1 | 170 | -65.4 | -76 | 0 | 0 | 0 | 111.1 | E62 I66 Y98 I99 K102 | F54-E62 WeakPolarHBondContact CA-OE1 2.83Å; F54-E62 VanDerWaalsContact CB-OE1 3.31Å; F54-E62 WeakPolarHBondContact CB-OE1 3.22Å; F54-E62 VanDerWaalsContact CD1-OE1 3.27Å; F54-E62 WeakPolarHBondContact CD1-OE1 3.16Å; F54-I66 HydrophobicContact CD1-CD1 3.88Å; F54-I66 HydrophobicContact CE1-CD1 3.62Å; F54-I66 HydrophobicContact CE1-CG1 3.95Å; F54-Y98 AromaticContact CD2-CE1 3.6Å; F54-Y98 HydrophobicContact CD2-CE1 3.6Å; F54-Y98 AromaticContact CD2-CZ 3.96Å; F54-Y98 HydrophobicContact CE2-CD1 4.44Å; F54-Y98 AromaticContact CE2-CE1 3.83Å; F54-Y98 HydrophobicContact CE2-CE1 3.83Å; F54-I99 HydrophobicContact CE2-CD1 3.75Å; F54-I99 HydrophobicContact CZ-CD1 3.91Å; F54-K102 HydrophobicContact CB-CD 4.1Å; F54-K102 HydrophobicContact CD1-CB 4.48Å; F54-K102 HydrophobicContact CD1-CD 3.93Å; F54-K102 HydrophobicContact CD1-CG 4.16Å; F54-K102 HydrophobicContact CD2-CD 4.17Å; F54-K102 HydrophobicContact CD2-CG 3.93Å; F54-K102 HydrophobicContact CE1-CB 4.13Å; F54-K102 HydrophobicContact CE1-CD 4.41Å; F54-K102 HydrophobicContact CE1-CG 4.2Å; F54-K102 HydrophobicContact CE2-CB 4.44Å; F54-K102 HydrophobicContact CE2-CG 3.96Å; F54-K102 HydrophobicContact CG-CD 3.79Å; F54-K102 HydrophobicContact CG-CG 4.03Å; F54-K102 HydrophobicContact CZ-CB 4.1Å; F54-K102 HydrophobicContact CZ-CG 4.1Å | ||
| 55 | E | 92.9 | Very high | 86.5 | Confident | 82 Ų | 82 | 88.6 Ų | 88.6 | 38% | 0.383 | 51% | 0.512 | S | S | . | . | trans | -64.8 | 147 | 173.4 | -61.8 | -176.1 | 171.5 | 0 | 0 | 109.8 | K57 T59 E62 | E55-K57 PolarHBondContact O-N 3.25Å; E55-K57 VanDerWaalsContact O-N 3.13Å; E55-T59 WeakPolarHBondContact OE2-CB 3.37Å; E55-T59 WeakPolarHBondContact OE2-CG2 3.41Å; E55-T59 PolarHBondContact OE2-OG1 2.95Å; E55-E62 WeakPolarHBondContact CB-OE2 3.41Å; E55-E62 PolarHBondContact N-OE1 3.27Å | ||
| 56 | P | 93.9 | Very high | 88.1 | Confident | 143 Ų | 143 | 81.7 Ų | 81.7 | 93% | 0.929 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -58.3 | -27.9 | 179.1 | -25.6 | 33.9 | 0 | 0 | 0 | 113.5 | ||
| 57 | K | 95 | Very high | 89.9 | Confident | 171 Ų | 171 | 79.4 Ų | 79.4 | 74% | 0.743 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -132 | 126.1 | 177.3 | -179.3 | 178.7 | -177.8 | 177.2 | 0 | 108.3 | E55 T59 | E55-K57 PolarHBondContact O-N 3.25Å; E55-K57 VanDerWaalsContact O-N 3.13Å; K57-T59 PolarHBondContact O-N 2.94Å |
| 58 | M | 95.9 | Very high | 91.7 | Very high | 12 Ų | 12 | 80.2 Ų | 80.2 | 6% | 0.059 | 47% | 0.466 | C | S | . | . | trans | -57.6 | 125.1 | -179.4 | -173.7 | 65.4 | 61.8 | 0 | 0 | 111.6 | E62 A63 I66 K102 E105 A106 L109 | M58-E62 HydrophobicContact SD-CB 4.05Å; M58-E62 HydrophobicContact SD-CG 3.84Å; M58-E62 VanDerWaalsContact SD-OE2 3.41Å; M58-A63 HydrophobicContact CG-CB 4.15Å; M58-A63 HydrophobicContact SD-CB 3.94Å; M58-I66 HydrophobicContact CE-CD1 3.59Å; M58-I66 HydrophobicContact SD-CD1 3.89Å; M58-K102 HydrophobicContact CE-CD 3.78Å; M58-E105 VanDerWaalsContact CB-CD 3.45Å; M58-E105 HydrophobicContact CB-CG 3.66Å; M58-E105 WeakPolarHBondContact CB-OE1 3.43Å; M58-E105 HydrophobicContact CE-CB 3.96Å; M58-E105 HydrophobicContact CE-CG 3.95Å; M58-E105 WeakPolarHBondContact CE-OE2 3.4Å; M58-E105 HydrophobicContact CG-CG 3.98Å; M58-A106 HydrophobicContact CE-CB 4.34Å; M58-A106 HydrophobicContact SD-CB 4.25Å; M58-L109 HydrophobicContact CB-CD1 4.13Å; M58-L109 HydrophobicContact CG-CB 4.42Å; M58-L109 HydrophobicContact CG-CD1 3.78Å; M58-L109 WeakPolarHBondContact O-CD1 3.48Å | ||
| 59 | T | 95.9 | Very high | 93 | Very high | 51 Ų | 51 | 78 Ų | 78 | 31% | 0.313 | 44% | 0.44 | S | S | . | . | trans | -104.8 | 162.5 | 174.1 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | E55 K57 R61 E62 A63 | E55-T59 WeakPolarHBondContact OE2-CB 3.37Å; E55-T59 WeakPolarHBondContact OE2-CG2 3.41Å; E55-T59 PolarHBondContact OE2-OG1 2.95Å; K57-T59 PolarHBondContact O-N 2.94Å; T59-R61 PolarHBondContact O-N 3.18Å; T59-E62 PolarHBondContact O-N 3.02Å; T59-E62 WeakPolarHBondContact OG1-CB 3.32Å; T59-E62 PolarHBondContact OG1-N 3.13Å; T59-A63 VanDerWaalsContact O-CB 3.3Å; T59-A63 WeakPolarHBondContact O-CB 3.35Å; T59-A63 PolarHBondContact O-N 2.87Å | ||
| 60 | K | 94.7 | Very high | 93.7 | Very high | 58 Ų | 58 | 69.7 Ų | 69.7 | 25% | 0.252 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57 | -40.1 | 175.8 | -171.9 | -171.1 | -172.9 | 139.4 | 0 | 111.9 | A64 P71 L109 M110 Q113 | K60-A64 WeakPolarHBondContact O-CB 3.48Å; K60-A64 PolarHBondContact O-N 2.72Å; K60-P71 HydrophobicContact CD-CB 4.35Å; K60-P71 WeakPolarHBondContact CE-O 3.48Å; K60-P71 PolarHBondContact NZ-O 2.83Å; K60-L109 HydrophobicContact CB-CD2 4.22Å; K60-M110 HydrophobicContact CG-SD 4.11Å; K60-Q113 VanDerWaalsContact CG-OE1 3.29Å |
| 61 | R | 94.3 | Very high | 94.1 | Very high | 183 Ų | 183 | 64.5 Ų | 64.5 | 69% | 0.691 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.3 | -51.4 | -179.5 | 179.8 | -179.6 | 174.2 | 155.9 | -1.4 | 110.2 | T59 A63 A64 L65 | T59-R61 PolarHBondContact O-N 3.18Å; R61-A63 PolarHBondContact O-N 3.24Å; R61-A64 PolarHBondContact O-N 2.96Å; R61-L65 HydrophobicContact CG-CD1 4.18Å; R61-L65 VanDerWaalsContact O-CG 3.31Å; R61-L65 WeakPolarHBondContact O-CG 3.35Å; R61-L65 PolarHBondContact O-N 3.14Å |
| 62 | E | 95.8 | Very high | 94.4 | Very high | 18 Ų | 18 | 65.5 Ų | 65.5 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 178 | -175.5 | -179.7 | -144.4 | 0 | 0 | 111.6 | F54 E55 M58 T59 A64 L65 I66 | F54-E62 WeakPolarHBondContact CA-OE1 2.83Å; F54-E62 VanDerWaalsContact CB-OE1 3.31Å; F54-E62 WeakPolarHBondContact CB-OE1 3.22Å; F54-E62 VanDerWaalsContact CD1-OE1 3.27Å; F54-E62 WeakPolarHBondContact CD1-OE1 3.16Å; E55-E62 WeakPolarHBondContact CB-OE2 3.41Å; E55-E62 PolarHBondContact N-OE1 3.27Å; M58-E62 HydrophobicContact SD-CB 4.05Å; M58-E62 HydrophobicContact SD-CG 3.84Å; M58-E62 VanDerWaalsContact SD-OE2 3.41Å; T59-E62 PolarHBondContact O-N 3.02Å; T59-E62 WeakPolarHBondContact OG1-CB 3.32Å; T59-E62 PolarHBondContact OG1-N 3.13Å; E62-A64 VanDerWaalsContact C-N 3.33Å; E62-A64 PolarHBondContact O-N 3.48Å; E62-L65 WeakPolarHBondContact O-CB 3.44Å; E62-L65 PolarHBondContact O-N 3Å; E62-L65 VanDerWaalsContact O-N 3.09Å; E62-I66 HydrophobicContact CG-CD1 3.8Å; E62-I66 HydrophobicContact CG-CG1 4.29Å; E62-I66 WeakPolarHBondContact O-CG1 3.36Å; E62-I66 PolarHBondContact O-N 3.46Å |
| 63 | A | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M58 T59 R61 L65 L67 A106 L109 M110 | M58-A63 HydrophobicContact CG-CB 4.15Å; M58-A63 HydrophobicContact SD-CB 3.94Å; T59-A63 VanDerWaalsContact O-CB 3.3Å; T59-A63 WeakPolarHBondContact O-CB 3.35Å; T59-A63 PolarHBondContact O-N 2.87Å; R61-A63 PolarHBondContact O-N 3.24Å; A63-L65 VanDerWaalsContact C-N 3.34Å; A63-L67 WeakPolarHBondContact O-CB 3.35Å; A63-L67 WeakPolarHBondContact O-CG 2.92Å; A63-L67 PolarHBondContact O-N 3.48Å; A63-A106 HydrophobicContact CB-CB 3.83Å; A63-L109 HydrophobicContact CB-CD2 4.25Å; A63-M110 HydrophobicContact CB-CG 3.72Å; A63-M110 HydrophobicContact CB-SD 4.21Å |
| 64 | A | 96 | Very high | 94.6 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | K60 R61 E62 G68 V69 P71 M110 | K60-A64 WeakPolarHBondContact O-CB 3.48Å; K60-A64 PolarHBondContact O-N 2.72Å; R61-A64 PolarHBondContact O-N 2.96Å; E62-A64 VanDerWaalsContact C-N 3.33Å; E62-A64 PolarHBondContact O-N 3.48Å; A64-G68 PolarHBondContact O-N 3.09Å; A64-V69 WeakPolarHBondContact CB-O 3.34Å; A64-V69 PolarHBondContact O-N 3.03Å; A64-P71 HydrophobicContact CB-CB 4.41Å; A64-P71 HydrophobicContact CB-CG 4.05Å; A64-M110 HydrophobicContact CB-CE 4.23Å |
| 65 | L | 95.4 | Very high | 94.5 | Very high | 77 Ų | 77 | 63.1 Ų | 63.1 | 40% | 0.403 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.4 | -45.8 | 176.3 | -70.2 | 173.2 | 0 | 0 | 0 | 112.1 | Y50 R61 E62 A63 L67 G68 | Y50-L65 HydrophobicContact CE1-CD1 4.44Å; Y50-L65 HydrophobicContact CE2-CD1 4.45Å; Y50-L65 HydrophobicContact CE2-CD2 4.27Å; Y50-L65 WeakPolarHBondContact OH-CD2 3.46Å; R61-L65 HydrophobicContact CG-CD1 4.18Å; R61-L65 VanDerWaalsContact O-CG 3.31Å; R61-L65 WeakPolarHBondContact O-CG 3.35Å; R61-L65 PolarHBondContact O-N 3.14Å; E62-L65 WeakPolarHBondContact O-CB 3.44Å; E62-L65 PolarHBondContact O-N 3Å; E62-L65 VanDerWaalsContact O-N 3.09Å; A63-L65 VanDerWaalsContact C-N 3.34Å; L65-L67 VanDerWaalsContact C-N 3.32Å; L65-L67 PolarHBondContact O-N 3.42Å; L65-G68 PolarHBondContact O-N 3.03Å; L65-G68 VanDerWaalsContact O-N 3.14Å |
| 66 | I | 96.1 | Very high | 94.6 | Very high | 37 Ų | 37 | 64.8 Ų | 64.8 | 19% | 0.19 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 177.4 | -70.4 | 170.4 | 0 | 0 | 0 | 110.7 | F54 M58 E62 G68 L85 I103 A106 | F54-I66 HydrophobicContact CD1-CD1 3.88Å; F54-I66 HydrophobicContact CE1-CD1 3.62Å; F54-I66 HydrophobicContact CE1-CG1 3.95Å; M58-I66 HydrophobicContact CE-CD1 3.59Å; M58-I66 HydrophobicContact SD-CD1 3.89Å; E62-I66 HydrophobicContact CG-CD1 3.8Å; E62-I66 HydrophobicContact CG-CG1 4.29Å; E62-I66 WeakPolarHBondContact O-CG1 3.36Å; E62-I66 PolarHBondContact O-N 3.46Å; I66-G68 VanDerWaalsContact C-N 3.29Å; I66-G68 PolarHBondContact O-N 3.35Å; I66-L85 VanDerWaalsContact O-CD1 3.24Å; I66-L85 WeakPolarHBondContact O-CD1 3.42Å; I66-I103 HydrophobicContact CG2-CG1 4.09Å; I66-A106 HydrophobicContact CB-CB 4.09Å; I66-A106 HydrophobicContact CD1-CB 4.25Å; I66-A106 HydrophobicContact CG2-CB 3.95Å |
| 67 | L | 96.6 | Very high | 94.6 | Very high | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -78.7 | -12 | -179.5 | -65.6 | 177.3 | 0 | 0 | 0 | 113.2 | A63 L65 V69 I78 A81 H82 L85 A106 M110 | A63-L67 WeakPolarHBondContact O-CB 3.35Å; A63-L67 WeakPolarHBondContact O-CG 2.92Å; A63-L67 PolarHBondContact O-N 3.48Å; L65-L67 VanDerWaalsContact C-N 3.32Å; L65-L67 PolarHBondContact O-N 3.42Å; L67-V69 VanDerWaalsContact C-N 3.32Å; L67-V69 HydrophobicContact CB-CG1 4.34Å; L67-V69 HydrophobicContact CB-CG2 3.87Å; L67-V69 PolarHBondContact O-N 3.07Å; L67-I78 HydrophobicContact CD1-CG2 4.07Å; L67-A81 HydrophobicContact CB-CB 4.38Å; L67-A81 WeakPolarHBondContact O-CB 3.48Å; L67-H82 HydrophobicContact CD2-CB 4.29Å; L67-L85 HydrophobicContact CD2-CD1 4.01Å; L67-A106 HydrophobicContact CD1-CB 4.37Å; L67-A106 HydrophobicContact CD2-CB 4.45Å; L67-A106 HydrophobicContact CG-CB 4.07Å; L67-M110 HydrophobicContact CD1-CB 4.35Å; L67-M110 HydrophobicContact CD1-CG 4.11Å |
| 68 | G | 95.1 | Very high | 94.7 | Very high | 67 Ų | 67 | 55.3 Ų | 55.3 | 69% | 0.691 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 35.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A64 L65 I66 | A64-G68 PolarHBondContact O-N 3.09Å; L65-G68 PolarHBondContact O-N 3.03Å; L65-G68 VanDerWaalsContact O-N 3.14Å; I66-G68 VanDerWaalsContact C-N 3.29Å; I66-G68 PolarHBondContact O-N 3.35Å |
| 69 | V | 96.1 | Very high | 94.7 | Very high | 16 Ų | 16 | 60.6 Ų | 60.6 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -124 | 163 | -178.1 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | A64 L67 A73 K77 A81 M110 | A64-V69 WeakPolarHBondContact CB-O 3.34Å; A64-V69 PolarHBondContact O-N 3.03Å; L67-V69 VanDerWaalsContact C-N 3.32Å; L67-V69 HydrophobicContact CB-CG1 4.34Å; L67-V69 HydrophobicContact CB-CG2 3.87Å; L67-V69 PolarHBondContact O-N 3.07Å; V69-A73 HydrophobicContact CB-CB 3.87Å; V69-A73 HydrophobicContact CG2-CB 4.01Å; V69-K77 HydrophobicContact CG1-CG 4.1Å; V69-A81 HydrophobicContact CG1-CB 3.74Å; V69-M110 HydrophobicContact CG2-CE 4.11Å |
| 70 | S | 93.5 | Very high | 94.8 | Very high | 54 Ų | 54 | 62 Ų | 62 | 38% | 0.378 | 32% | 0.324 | S | S | . | . | trans | -62 | 144.9 | 170.8 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | T72 A73 | S70-T72 PolarHBondContact O-N 3.5Å; S70-T72 PolarHBondContact OG-N 2.88Å; S70-T72 PolarHBondContact OG-OG1 3.34Å; S70-A73 WeakPolarHBondContact O-CB 3.43Å; S70-A73 PolarHBondContact O-N 3.34Å | ||
| 71 | P | 92 | Very high | 94.9 | Very high | 66 Ų | 66 | 60 Ų | 60 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -19 | 169 | -23.8 | 33.6 | 0 | 0 | 0 | 113.9 | K60 A64 | K60-P71 HydrophobicContact CD-CB 4.35Å; K60-P71 WeakPolarHBondContact CE-O 3.48Å; K60-P71 PolarHBondContact NZ-O 2.83Å; A64-P71 HydrophobicContact CB-CB 4.41Å; A64-P71 HydrophobicContact CB-CG 4.05Å |
| 72 | T | 91.1 | Very high | 95.1 | Very high | 103 Ų | 103 | 53 Ų | 53 | 63% | 0.632 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 16.8 | 177.5 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | S70 | S70-T72 PolarHBondContact O-N 3.5Å; S70-T72 PolarHBondContact OG-N 2.88Å; S70-T72 PolarHBondContact OG-OG1 3.34Å |
| 73 | A | 92.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 12% | 0.116 | 32% | 0.315 | C | S | . | . | trans | -61.1 | 145.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V69 S70 K77 I78 | V69-A73 HydrophobicContact CB-CB 3.87Å; V69-A73 HydrophobicContact CG2-CB 4.01Å; S70-A73 WeakPolarHBondContact O-CB 3.43Å; S70-A73 PolarHBondContact O-N 3.34Å; A73-K77 HydrophobicContact CB-CD 4.46Å; A73-I78 HydrophobicContact CB-CG1 4.2Å; A73-I78 WeakPolarHBondContact O-CD1 3.3Å | ||
| 74 | N | 92.9 | Very high | 95.2 | Very high | 99 Ų | 99 | 64.3 Ų | 64.3 | 53% | 0.529 | 34% | 0.339 | S | S | . | . | trans | -70.5 | 160.8 | 175.2 | 68.2 | 30.5 | 0 | 0 | 0 | 112 | N76 K77 I78 | N74-N76 PolarHBondContact O-N 2.66Å; N74-N76 PolarHBondContact OD1-N 2.99Å; N74-K77 PolarHBondContact O-N 2.94Å; N74-K77 WeakPolarHBondContact OD1-CB 3.38Å; N74-K77 PolarHBondContact OD1-N 3.45Å; N74-I78 WeakPolarHBondContact O-CG1 3.45Å; N74-I78 PolarHBondContact O-N 2.79Å; N74-I78 VanDerWaalsContact O-N 3.12Å | ||
| 75 | K | 92.9 | Very high | 95.3 | Very high | 63 Ų | 63 | 66.1 Ų | 66.1 | 27% | 0.274 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.4 | -36.3 | -178.8 | -68.1 | 177.8 | -175.9 | 159.9 | 0 | 113.1 | I78 R79 A114 | K75-I78 PolarHBondContact O-N 3.36Å; K75-R79 VanDerWaalsContact O-CG 3.3Å; K75-R79 WeakPolarHBondContact O-CG 3.46Å; K75-R79 PolarHBondContact O-N 3.3Å; K75-A114 HydrophobicContact CD-CB 4.36Å; K75-A114 VanDerWaalsContact CE-C 3.46Å; K75-A114 VanDerWaalsContact CE-O 3.26Å; K75-A114 WeakPolarHBondContact CE-O 3.24Å; K75-A114 HydrophobicContact CG-CB 3.57Å |
| 76 | N | 94.3 | Very high | 95.4 | Very high | 117 Ų | 117 | 63.7 Ų | 63.7 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.3 | -44.5 | -178.4 | -67.1 | -13.3 | 0 | 0 | 0 | 111.3 | N74 R79 E80 | N74-N76 PolarHBondContact O-N 2.66Å; N74-N76 PolarHBondContact OD1-N 2.99Å; N76-R79 PolarHBondContact O-N 3.32Å; N76-E80 WeakPolarHBondContact O-CB 3.49Å; N76-E80 PolarHBondContact O-N 3.49Å |
| 77 | K | 95.1 | Very high | 95.4 | Very high | 114 Ų | 114 | 65.5 Ų | 65.5 | 50% | 0.496 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 178.1 | -169.2 | 168.7 | -175.2 | 171.2 | 0 | 111.9 | V69 A73 N74 E80 A81 | V69-K77 HydrophobicContact CG1-CG 4.1Å; A73-K77 HydrophobicContact CB-CD 4.46Å; N74-K77 PolarHBondContact O-N 2.94Å; N74-K77 WeakPolarHBondContact OD1-CB 3.38Å; N74-K77 PolarHBondContact OD1-N 3.45Å; K77-E80 PolarHBondContact O-N 3.49Å; K77-A81 WeakPolarHBondContact O-CB 3.4Å; K77-A81 PolarHBondContact O-N 3.45Å |
| 78 | I | 95.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.3 | -50.4 | 174 | -68 | 161.5 | 0 | 0 | 0 | 110.5 | L67 A73 N74 K75 E80 A81 H82 K107 M110 A114 | L67-I78 HydrophobicContact CD1-CG2 4.07Å; A73-I78 HydrophobicContact CB-CG1 4.2Å; A73-I78 WeakPolarHBondContact O-CD1 3.3Å; N74-I78 WeakPolarHBondContact O-CG1 3.45Å; N74-I78 PolarHBondContact O-N 2.79Å; N74-I78 VanDerWaalsContact O-N 3.12Å; K75-I78 PolarHBondContact O-N 3.36Å; I78-E80 PolarHBondContact O-N 3.21Å; I78-A81 PolarHBondContact O-N 3.41Å; I78-H82 WeakPolarHBondContact O-CB 3.22Å; I78-H82 PolarHBondContact O-N 2.82Å; I78-K107 HydrophobicContact CG2-CG 4.47Å; I78-M110 HydrophobicContact CD1-CB 3.88Å; I78-M110 HydrophobicContact CD1-CE 4.4Å; I78-M110 HydrophobicContact CG1-CB 4.25Å; I78-M110 HydrophobicContact CG2-CB 4.04Å; I78-A114 HydrophobicContact CD1-CB 4.29Å |
| 79 | R | 96.1 | Very high | 95.5 | Very high | 122 Ų | 122 | 70.5 Ų | 70.5 | 46% | 0.46 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.4 | -38 | 179.9 | -71.6 | 171 | 178.1 | 175.6 | -6.7 | 113.1 | K75 N76 R83 | K75-R79 VanDerWaalsContact O-CG 3.3Å; K75-R79 WeakPolarHBondContact O-CG 3.46Å; K75-R79 PolarHBondContact O-N 3.3Å; N76-R79 PolarHBondContact O-N 3.32Å; R79-R83 WeakPolarHBondContact O-CB 3.49Å; R79-R83 PolarHBondContact O-N 3.06Å |
| 80 | E | 97.4 | Very high | 95.5 | Very high | 81 Ų | 81 | 72.6 Ų | 72.6 | 38% | 0.379 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 175.7 | -176.3 | -176.4 | 169.4 | 0 | 0 | 111.6 | N76 K77 I78 R83 K84 | N76-E80 WeakPolarHBondContact O-CB 3.49Å; N76-E80 PolarHBondContact O-N 3.49Å; K77-E80 PolarHBondContact O-N 3.49Å; I78-E80 PolarHBondContact O-N 3.21Å; E80-R83 PolarHBondContact O-N 3.31Å; E80-K84 HydrophobicContact CG-CD 4.43Å; E80-K84 WeakPolarHBondContact O-CG 3.31Å; E80-K84 PolarHBondContact O-N 3.31Å; E80-K84 VanDerWaalsContact O-N 3.08Å; E80-K84 WeakPolarHBondContact OE1-CE 3.15Å; E80-K84 IonicContact OE1-NZ 2.88Å; E80-K84 PolarHBondContact OE1-NZ 3.03Å |
| 81 | A | 97.7 | Very high | 95.7 | Very high | 16 Ų | 16 | 72.3 Ų | 72.3 | 13% | 0.132 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L67 V69 K77 I78 R83 K84 L85 | L67-A81 HydrophobicContact CB-CB 4.38Å; L67-A81 WeakPolarHBondContact O-CB 3.48Å; V69-A81 HydrophobicContact CG1-CB 3.74Å; K77-A81 WeakPolarHBondContact O-CB 3.4Å; K77-A81 PolarHBondContact O-N 3.45Å; I78-A81 PolarHBondContact O-N 3.41Å; A81-R83 PolarHBondContact O-N 3.24Å; A81-K84 PolarHBondContact O-N 3.4Å; A81-L85 WeakPolarHBondContact O-CG 3.27Å; A81-L85 PolarHBondContact O-N 3.24Å |
| 82 | H | 97.9 | Very high | 95.9 | Very high | 37 Ų | 37 | 75.8 Ų | 75.8 | 17% | 0.171 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.1 | -49.4 | 175.6 | 170.7 | -100.4 | 0 | 0 | 0 | 112 | L67 I78 K84 L85 M86 N104 K107 | L67-H82 HydrophobicContact CD2-CB 4.29Å; I78-H82 WeakPolarHBondContact O-CB 3.22Å; I78-H82 PolarHBondContact O-N 2.82Å; H82-K84 PolarHBondContact O-N 2.95Å; H82-L85 PolarHBondContact O-N 2.97Å; H82-M86 WeakPolarHBondContact O-CB 3.27Å; H82-M86 PolarHBondContact O-N 3.13Å; H82-N104 PolarHBondContact NE2-OD1 3.42Å; H82-K107 HydrophobicContact CB-CB 4.13Å; H82-K107 HydrophobicContact CB-CG 3.93Å |
| 83 | R | 97.9 | Very high | 96.2 | Very high | 139 Ų | 139 | 79.2 Ų | 79.2 | 53% | 0.525 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 178.8 | -177.4 | 179.4 | 62.7 | -101.7 | 3.4 | 111.8 | R79 E80 A81 M86 V87 | R79-R83 WeakPolarHBondContact O-CB 3.49Å; R79-R83 PolarHBondContact O-N 3.06Å; E80-R83 PolarHBondContact O-N 3.31Å; A81-R83 PolarHBondContact O-N 3.24Å; R83-M86 PolarHBondContact O-N 3.15Å; R83-V87 WeakPolarHBondContact O-CB 3.32Å; R83-V87 VanDerWaalsContact O-CG2 3.28Å; R83-V87 WeakPolarHBondContact O-CG2 3.33Å; R83-V87 PolarHBondContact O-N 2.98Å |
| 84 | K | 97.8 | Very high | 96.3 | Very high | 116 Ų | 116 | 82.1 Ų | 82.1 | 50% | 0.504 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 178.4 | -72.3 | 176.8 | -175.5 | 173.4 | 0 | 111.3 | E80 A81 H82 L88 | E80-K84 HydrophobicContact CG-CD 4.43Å; E80-K84 WeakPolarHBondContact O-CG 3.31Å; E80-K84 PolarHBondContact O-N 3.31Å; E80-K84 VanDerWaalsContact O-N 3.08Å; E80-K84 WeakPolarHBondContact OE1-CE 3.15Å; E80-K84 IonicContact OE1-NZ 2.88Å; E80-K84 PolarHBondContact OE1-NZ 3.03Å; A81-K84 PolarHBondContact O-N 3.4Å; H82-K84 PolarHBondContact O-N 2.95Å; K84-L88 WeakPolarHBondContact O-CG 3.31Å; K84-L88 PolarHBondContact O-N 2.99Å |
| 85 | L | 97.4 | Very high | 96.4 | Very high | 43 Ų | 43 | 78.2 Ų | 78.2 | 23% | 0.225 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | -179.6 | -73.5 | 171 | 0 | 0 | 0 | 112.3 | I66 L67 A81 H82 L88 N89 I103 | I66-L85 VanDerWaalsContact O-CD1 3.24Å; I66-L85 WeakPolarHBondContact O-CD1 3.42Å; L67-L85 HydrophobicContact CD2-CD1 4.01Å; A81-L85 WeakPolarHBondContact O-CG 3.27Å; A81-L85 PolarHBondContact O-N 3.24Å; H82-L85 PolarHBondContact O-N 2.97Å; L85-L88 PolarHBondContact O-N 2.81Å; L85-N89 WeakPolarHBondContact O-CB 3.35Å; L85-N89 PolarHBondContact O-N 2.89Å; L85-N89 PolarHBondContact O-ND2 3.12Å; L85-I103 HydrophobicContact CB-CD1 4.08Å; L85-I103 HydrophobicContact CB-CG1 4.46Å; L85-I103 HydrophobicContact CB-CG2 4.08Å |
| 86 | M | 97.6 | Very high | 96.7 | Very high | 26 Ų | 26 | 77.8 Ų | 77.8 | 13% | 0.128 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 179.9 | -170.7 | 57 | 64.2 | 0 | 0 | 111.9 | H82 R83 L88 N89 H90 A100 I103 N104 | H82-M86 WeakPolarHBondContact O-CB 3.27Å; H82-M86 PolarHBondContact O-N 3.13Å; R83-M86 PolarHBondContact O-N 3.15Å; M86-L88 PolarHBondContact O-N 2.99Å; M86-N89 PolarHBondContact O-N 3.44Å; M86-H90 WeakPolarHBondContact O-CA 3.23Å; M86-H90 VanDerWaalsContact O-CB 3.32Å; M86-H90 WeakPolarHBondContact O-CB 3.17Å; M86-H90 PolarHBondContact O-N 3.4Å; M86-A100 HydrophobicContact CE-CB 4.28Å; M86-A100 HydrophobicContact SD-CB 4.09Å; M86-I103 HydrophobicContact CE-CB 4.27Å; M86-I103 HydrophobicContact CE-CG2 3.97Å; M86-N104 WeakPolarHBondContact CE-OD1 3.43Å |
| 87 | V | 97.1 | Very high | 96.8 | Very high | 75 Ų | 75 | 76.6 Ų | 76.6 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.8 | -36.6 | 175.3 | 161.1 | 0 | 0 | 0 | 0 | 112.1 | R83 R93 | R83-V87 WeakPolarHBondContact O-CB 3.32Å; R83-V87 VanDerWaalsContact O-CG2 3.28Å; R83-V87 WeakPolarHBondContact O-CG2 3.33Å; R83-V87 PolarHBondContact O-N 2.98Å; V87-R93 PolarHBondContact O-NH1 3.02Å |
| 88 | L | 95.9 | Very high | 96.9 | Very high | 132 Ų | 132 | 77.4 Ų | 77.4 | 69% | 0.691 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -82.7 | -33.1 | -179.9 | -64.9 | 171.4 | 0 | 0 | 0 | 113.1 | K84 L85 M86 | K84-L88 WeakPolarHBondContact O-CG 3.31Å; K84-L88 PolarHBondContact O-N 2.99Å; L85-L88 PolarHBondContact O-N 2.81Å; M86-L88 PolarHBondContact O-N 2.99Å |
| 89 | N | 97.3 | Very high | 96.9 | Very high | 47 Ų | 47 | 79.9 Ų | 79.9 | 25% | 0.251 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -109.3 | 12 | -172 | -65.6 | -85 | 0 | 0 | 0 | 113.7 | L85 M86 G95 I99 I103 | L85-N89 WeakPolarHBondContact O-CB 3.35Å; L85-N89 PolarHBondContact O-N 2.89Å; L85-N89 PolarHBondContact O-ND2 3.12Å; M86-N89 PolarHBondContact O-N 3.44Å; N89-G95 WeakPolarHBondContact O-CA 3.45Å; N89-I99 HydrophobicContact CB-CG2 4.25Å; N89-I103 HydrophobicContact CB-CD1 3.71Å |
| 90 | H | 96.6 | Very high | 97 | Very high | 59 Ų | 59 | 74.3 Ų | 74.3 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | trans | -61.9 | 133.1 | -177.2 | -159 | -83.2 | 0 | 0 | 0 | 111.2 | M86 D92 R93 G95 | M86-H90 WeakPolarHBondContact O-CA 3.23Å; M86-H90 VanDerWaalsContact O-CB 3.32Å; M86-H90 WeakPolarHBondContact O-CB 3.17Å; M86-H90 PolarHBondContact O-N 3.4Å; H90-D92 VanDerWaalsContact C-N 3.31Å; H90-D92 IonicContact CE1-OD1 2.86Å; H90-D92 IonicContact CE1-OD2 3.76Å; H90-D92 PolarHBondContact CE1-OD2 3.01Å; H90-D92 WeakPolarHBondContact ND1-CB 3.39Å; H90-D92 PolarHBondContact ND1-N 3.4Å; H90-D92 IonicContact ND1-OD1 2.66Å; H90-D92 IonicContact ND1-OD2 3.88Å; H90-D92 PolarHBondContact O-N 3.31Å; H90-R93 HydrophobicContact CB-CB 4.36Å; H90-R93 HydrophobicContact CB-CG 4.31Å; H90-R93 PolarHBondContact O-N 3.36Å; H90-G95 WeakPolarHBondContact O-CA 3.38Å; H90-G95 PolarHBondContact O-N 3.17Å | ||
| 91 | P | 97 | Very high | 97 | Very high | 48 Ų | 48 | 73 Ų | 73 | 31% | 0.312 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -58.4 | -41.5 | -178.9 | 21.7 | -32.9 | 0 | 0 | 0 | 112.9 | R93 G94 G95 P97 | P91-R93 PolarHBondContact O-N 3.49Å; P91-G94 PolarHBondContact O-N 2.97Å; P91-G95 WeakPolarHBondContact CA-O 2.99Å; P91-P97 HydrophobicContact CB-CG 4.18Å |
| 92 | D | 96.8 | Very high | 97 | Very high | 140 Ų | 140 | 73 Ų | 73 | 75% | 0.749 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -64.1 | -12.3 | 177.7 | -51.9 | -4.2 | 0 | 0 | 0 | 114.2 | H90 | H90-D92 VanDerWaalsContact C-N 3.31Å; H90-D92 IonicContact CE1-OD1 2.86Å; H90-D92 IonicContact CE1-OD2 3.76Å; H90-D92 PolarHBondContact CE1-OD2 3.01Å; H90-D92 WeakPolarHBondContact ND1-CB 3.39Å; H90-D92 PolarHBondContact ND1-N 3.4Å; H90-D92 IonicContact ND1-OD1 2.66Å; H90-D92 IonicContact ND1-OD2 3.88Å; H90-D92 PolarHBondContact O-N 3.31Å |
| 93 | R | 95.8 | Very high | 97 | Very high | 175 Ų | 175 | 71.5 Ų | 71.5 | 66% | 0.66 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -108.3 | 20 | 176.4 | -61.7 | -178 | 179.3 | 171.4 | -2.4 | 112.2 | V87 H90 P91 | V87-R93 PolarHBondContact O-NH1 3.02Å; H90-R93 HydrophobicContact CB-CB 4.36Å; H90-R93 HydrophobicContact CB-CG 4.31Å; H90-R93 PolarHBondContact O-N 3.36Å; P91-R93 PolarHBondContact O-N 3.49Å |
| 94 | G | 94.7 | Very high | 97 | Very high | 75 Ų | 75 | 68 Ų | 68 | 77% | 0.773 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 10.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P91 | P91-G94 PolarHBondContact O-N 2.97Š|
| 95 | G | 96.1 | Very high | 97 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | trans | -72 | 161 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N89 H90 P91 P97 | N89-G95 WeakPolarHBondContact O-CA 3.45Å; H90-G95 WeakPolarHBondContact O-CA 3.38Å; H90-G95 PolarHBondContact O-N 3.17Å; P91-G95 WeakPolarHBondContact CA-O 2.99Å; G95-P97 WeakPolarHBondContact O-CD 3.43Å | ||
| 96 | S | 97.6 | Very high | 97 | Very high | 54 Ų | 54 | 63.9 Ų | 63.9 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | trans | -77.9 | 126.4 | 176 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | Y98 I99 A100 | S96-Y98 PolarHBondContact O-N 2.98Å; S96-Y98 PolarHBondContact OG-N 3.44Å; S96-I99 PolarHBondContact O-N 3.35Å; S96-I99 VanDerWaalsContact O-N 3.1Å; S96-I99 PolarHBondContact OG-N 3.49Å; S96-A100 PolarHBondContact O-N 3.38Å | ||
| 97 | P | 97.4 | Very high | 97 | Very high | 92 Ų | 92 | 64.9 Ų | 64.9 | 60% | 0.597 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -55 | -35.4 | 173.5 | -25.3 | 33.6 | 0 | 0 | 0 | 112.6 | P91 G95 A101 | P91-P97 HydrophobicContact CB-CG 4.18Å; G95-P97 WeakPolarHBondContact O-CD 3.43Å; P97-A101 WeakPolarHBondContact O-CB 3.41Å; P97-A101 PolarHBondContact O-N 2.96Å |
| 98 | Y | 96.8 | Very high | 96.9 | Very high | 130 Ų | 130 | 65.8 Ų | 65.8 | 51% | 0.51 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 178.6 | -178.9 | -114.7 | 0 | 0 | 0 | 112.2 | F54 S96 A101 K102 | F54-Y98 AromaticContact CD2-CE1 3.6Å; F54-Y98 HydrophobicContact CD2-CE1 3.6Å; F54-Y98 AromaticContact CD2-CZ 3.96Å; F54-Y98 HydrophobicContact CE2-CD1 4.44Å; F54-Y98 AromaticContact CE2-CE1 3.83Å; F54-Y98 HydrophobicContact CE2-CE1 3.83Å; S96-Y98 PolarHBondContact O-N 2.98Å; S96-Y98 PolarHBondContact OG-N 3.44Å; Y98-A101 PolarHBondContact O-N 2.93Å; Y98-K102 HydrophobicContact CE2-CG 4.46Å; Y98-K102 WeakPolarHBondContact O-CG 3.34Å; Y98-K102 PolarHBondContact O-N 3.44Å |
| 99 | I | 96.8 | Very high | 96.9 | Very high | 53 Ų | 53 | 61.5 Ų | 61.5 | 27% | 0.272 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.5 | -43 | 177 | -61.2 | -61.1 | 0 | 0 | 0 | 110.7 | F54 N89 S96 A101 K102 I103 | F54-I99 HydrophobicContact CE2-CD1 3.75Å; F54-I99 HydrophobicContact CZ-CD1 3.91Å; N89-I99 HydrophobicContact CB-CG2 4.25Å; S96-I99 PolarHBondContact O-N 3.35Å; S96-I99 VanDerWaalsContact O-N 3.1Å; S96-I99 PolarHBondContact OG-N 3.49Å; I99-A101 VanDerWaalsContact C-N 3.31Å; I99-A101 PolarHBondContact O-N 2.92Å; I99-K102 PolarHBondContact O-N 3.5Å; I99-I103 HydrophobicContact CG2-CD1 3.88Å; I99-I103 WeakPolarHBondContact O-CG1 3.47Å; I99-I103 PolarHBondContact O-N 2.98Å |
| 100 | A | 97.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 5% | 0.05 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | M86 S96 K102 I103 N104 | M86-A100 HydrophobicContact CE-CB 4.28Å; M86-A100 HydrophobicContact SD-CB 4.09Å; S96-A100 PolarHBondContact O-N 3.38Å; A100-K102 PolarHBondContact O-N 2.97Å; A100-I103 PolarHBondContact O-N 3.45Å; A100-N104 PolarHBondContact O-N 2.96Å; A100-N104 PolarHBondContact O-ND2 2.72Å |
| 101 | A | 97.3 | Very high | 96.5 | Very high | 53 Ų | 53 | 57 Ų | 57 | 44% | 0.438 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | P97 Y98 I99 I103 N104 E105 | P97-A101 WeakPolarHBondContact O-CB 3.41Å; P97-A101 PolarHBondContact O-N 2.96Å; Y98-A101 PolarHBondContact O-N 2.93Å; I99-A101 VanDerWaalsContact C-N 3.31Å; I99-A101 PolarHBondContact O-N 2.92Å; A101-I103 PolarHBondContact O-N 2.95Å; A101-N104 PolarHBondContact O-N 3.47Å; A101-E105 WeakPolarHBondContact O-CB 3.27Å; A101-E105 PolarHBondContact O-N 3.36Å |
| 102 | K | 97.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 56.4 Ų | 56.4 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 177 | -74.2 | -73.1 | 170.6 | -166.8 | 0 | 113.2 | F54 M58 Y98 I99 A100 N104 E105 A106 | F54-K102 HydrophobicContact CB-CD 4.1Å; F54-K102 HydrophobicContact CD1-CB 4.48Å; F54-K102 HydrophobicContact CD1-CD 3.93Å; F54-K102 HydrophobicContact CD1-CG 4.16Å; F54-K102 HydrophobicContact CD2-CD 4.17Å; F54-K102 HydrophobicContact CD2-CG 3.93Å; F54-K102 HydrophobicContact CE1-CB 4.13Å; F54-K102 HydrophobicContact CE1-CD 4.41Å; F54-K102 HydrophobicContact CE1-CG 4.2Å; F54-K102 HydrophobicContact CE2-CB 4.44Å; F54-K102 HydrophobicContact CE2-CG 3.96Å; F54-K102 HydrophobicContact CG-CD 3.79Å; F54-K102 HydrophobicContact CG-CG 4.03Å; F54-K102 HydrophobicContact CZ-CB 4.1Å; F54-K102 HydrophobicContact CZ-CG 4.1Å; M58-K102 HydrophobicContact CE-CD 3.78Å; Y98-K102 HydrophobicContact CE2-CG 4.46Å; Y98-K102 WeakPolarHBondContact O-CG 3.34Å; Y98-K102 PolarHBondContact O-N 3.44Å; I99-K102 PolarHBondContact O-N 3.5Å; A100-K102 PolarHBondContact O-N 2.97Å; K102-N104 VanDerWaalsContact C-N 3.34Å; K102-E105 WeakPolarHBondContact CD-OE2 3.34Å; K102-E105 IonicContact NZ-OE2 2.72Å; K102-E105 PolarHBondContact NZ-OE2 3.45Å; K102-E105 PolarHBondContact O-N 3.39Å; K102-A106 WeakPolarHBondContact O-CB 3.4Å; K102-A106 PolarHBondContact O-N 3.2Å |
| 103 | I | 98.1 | Very high | 95 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 173.5 | -69.3 | 161.6 | 0 | 0 | 0 | 111 | I66 L85 M86 N89 I99 A100 A101 K107 | I66-I103 HydrophobicContact CG2-CG1 4.09Å; L85-I103 HydrophobicContact CB-CD1 4.08Å; L85-I103 HydrophobicContact CB-CG1 4.46Å; L85-I103 HydrophobicContact CB-CG2 4.08Å; M86-I103 HydrophobicContact CE-CB 4.27Å; M86-I103 HydrophobicContact CE-CG2 3.97Å; N89-I103 HydrophobicContact CB-CD1 3.71Å; I99-I103 HydrophobicContact CG2-CD1 3.88Å; I99-I103 WeakPolarHBondContact O-CG1 3.47Å; I99-I103 PolarHBondContact O-N 2.98Å; A100-I103 PolarHBondContact O-N 3.45Å; A101-I103 PolarHBondContact O-N 2.95Å; I103-K107 PolarHBondContact O-N 2.91Å; I103-K107 VanDerWaalsContact O-N 3.11Å |
| 104 | N | 97.6 | Very high | 93.8 | Very high | 64 Ų | 64 | 45 Ų | 45 | 34% | 0.342 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.5 | -46.8 | 176.1 | -72.1 | -28.8 | 0 | 0 | 0 | 111.9 | H82 M86 A100 A101 K102 A106 K107 D108 | H82-N104 PolarHBondContact NE2-OD1 3.42Å; M86-N104 WeakPolarHBondContact CE-OD1 3.43Å; A100-N104 PolarHBondContact O-N 2.96Å; A100-N104 PolarHBondContact O-ND2 2.72Å; A101-N104 PolarHBondContact O-N 3.47Å; K102-N104 VanDerWaalsContact C-N 3.34Å; N104-A106 VanDerWaalsContact C-N 3.3Å; N104-A106 PolarHBondContact O-N 3.43Å; N104-K107 PolarHBondContact O-N 3.34Å; N104-K107 VanDerWaalsContact O-N 3.15Å; N104-D108 PolarHBondContact O-N 3.22Å |
| 105 | E | 97.5 | Very high | 92.5 | Very high | 73 Ų | 73 | 49.2 Ų | 49.2 | 34% | 0.341 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.4 | -43.1 | 177.2 | -169.9 | -176.9 | -173.8 | 0 | 0 | 111.3 | M58 A101 K102 D108 L109 | M58-E105 VanDerWaalsContact CB-CD 3.45Å; M58-E105 HydrophobicContact CB-CG 3.66Å; M58-E105 WeakPolarHBondContact CB-OE1 3.43Å; M58-E105 HydrophobicContact CE-CB 3.96Å; M58-E105 HydrophobicContact CE-CG 3.95Å; M58-E105 WeakPolarHBondContact CE-OE2 3.4Å; M58-E105 HydrophobicContact CG-CG 3.98Å; A101-E105 WeakPolarHBondContact O-CB 3.27Å; A101-E105 PolarHBondContact O-N 3.36Å; K102-E105 WeakPolarHBondContact CD-OE2 3.34Å; K102-E105 IonicContact NZ-OE2 2.72Å; K102-E105 PolarHBondContact NZ-OE2 3.45Å; K102-E105 PolarHBondContact O-N 3.39Å; E105-D108 PolarHBondContact O-N 3.02Å; E105-L109 PolarHBondContact O-N 3.33Å; E105-L109 VanDerWaalsContact O-N 3.1Å |
| 106 | A | 97.8 | Very high | 91 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M58 A63 I66 L67 K102 N104 M110 | M58-A106 HydrophobicContact CE-CB 4.34Å; M58-A106 HydrophobicContact SD-CB 4.25Å; A63-A106 HydrophobicContact CB-CB 3.83Å; I66-A106 HydrophobicContact CB-CB 4.09Å; I66-A106 HydrophobicContact CD1-CB 4.25Å; I66-A106 HydrophobicContact CG2-CB 3.95Å; L67-A106 HydrophobicContact CD1-CB 4.37Å; L67-A106 HydrophobicContact CD2-CB 4.45Å; L67-A106 HydrophobicContact CG-CB 4.07Å; K102-A106 WeakPolarHBondContact O-CB 3.4Å; K102-A106 PolarHBondContact O-N 3.2Å; N104-A106 VanDerWaalsContact C-N 3.3Å; N104-A106 PolarHBondContact O-N 3.43Å; A106-M110 WeakPolarHBondContact O-CB 3.41Å; A106-M110 VanDerWaalsContact O-CG 3.27Å; A106-M110 WeakPolarHBondContact O-CG 3.49Å; A106-M110 PolarHBondContact O-N 2.99Å; A106-M110 VanDerWaalsContact O-N 3.11Å |
| 107 | K | 96.8 | Very high | 89.1 | Confident | 47 Ų | 47 | 60.9 Ų | 60.9 | 20% | 0.204 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 177.2 | 173.2 | -80.4 | -167.9 | -161.8 | 0 | 110.7 | I78 H82 I103 N104 L109 M110 D111 | I78-K107 HydrophobicContact CG2-CG 4.47Å; H82-K107 HydrophobicContact CB-CB 4.13Å; H82-K107 HydrophobicContact CB-CG 3.93Å; I103-K107 PolarHBondContact O-N 2.91Å; I103-K107 VanDerWaalsContact O-N 3.11Å; N104-K107 PolarHBondContact O-N 3.34Å; N104-K107 VanDerWaalsContact O-N 3.15Å; K107-L109 PolarHBondContact O-N 3.34Å; K107-M110 PolarHBondContact O-N 3.12Å; K107-D111 WeakPolarHBondContact CE-OD2 3.31Å; K107-D111 IonicContact NZ-OD2 3.61Å; K107-D111 PolarHBondContact NZ-OD2 3.35Å; K107-D111 WeakPolarHBondContact O-CB 3.49Å; K107-D111 PolarHBondContact O-N 2.97Å |
| 108 | D | 96.1 | Very high | 86.9 | Confident | 94 Ų | 94 | 63 Ų | 63 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | -174.1 | -72.1 | -26.2 | 0 | 0 | 0 | 112 | N104 E105 G112 | N104-D108 PolarHBondContact O-N 3.22Å; E105-D108 PolarHBondContact O-N 3.02Å; D108-G112 PolarHBondContact O-N 3.38Å; D108-G112 VanDerWaalsContact O-N 3.07Å |
| 109 | L | 95.5 | Very high | 86.4 | Confident | 43 Ų | 43 | 59.7 Ų | 59.7 | 23% | 0.225 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 172.4 | -171.8 | 155.1 | 0 | 0 | 0 | 111.2 | M58 K60 A63 E105 K107 G112 Q113 | M58-L109 HydrophobicContact CB-CD1 4.13Å; M58-L109 HydrophobicContact CG-CB 4.42Å; M58-L109 HydrophobicContact CG-CD1 3.78Å; M58-L109 WeakPolarHBondContact O-CD1 3.48Å; K60-L109 HydrophobicContact CB-CD2 4.22Å; A63-L109 HydrophobicContact CB-CD2 4.25Å; E105-L109 PolarHBondContact O-N 3.33Å; E105-L109 VanDerWaalsContact O-N 3.1Å; K107-L109 PolarHBondContact O-N 3.34Å; L109-G112 PolarHBondContact O-N 2.93Å; L109-Q113 HydrophobicContact CD2-CG 4.25Å; L109-Q113 WeakPolarHBondContact O-CG 3.49Å; L109-Q113 PolarHBondContact O-N 3.42Å; L109-Q113 VanDerWaalsContact O-N 3.09Å |
| 110 | M | 93.8 | Very high | 85.8 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68 | -39.3 | -176.3 | -70.6 | -67.7 | -75.3 | 0 | 0 | 112.4 | K60 A63 A64 L67 V69 I78 A106 K107 G112 Q113 A114 | K60-M110 HydrophobicContact CG-SD 4.11Å; A63-M110 HydrophobicContact CB-CG 3.72Å; A63-M110 HydrophobicContact CB-SD 4.21Å; A64-M110 HydrophobicContact CB-CE 4.23Å; L67-M110 HydrophobicContact CD1-CB 4.35Å; L67-M110 HydrophobicContact CD1-CG 4.11Å; V69-M110 HydrophobicContact CG2-CE 4.11Å; I78-M110 HydrophobicContact CD1-CB 3.88Å; I78-M110 HydrophobicContact CD1-CE 4.4Å; I78-M110 HydrophobicContact CG1-CB 4.25Å; I78-M110 HydrophobicContact CG2-CB 4.04Å; A106-M110 WeakPolarHBondContact O-CB 3.41Å; A106-M110 VanDerWaalsContact O-CG 3.27Å; A106-M110 WeakPolarHBondContact O-CG 3.49Å; A106-M110 PolarHBondContact O-N 2.99Å; A106-M110 VanDerWaalsContact O-N 3.11Å; K107-M110 PolarHBondContact O-N 3.12Å; M110-G112 VanDerWaalsContact C-N 3.35Å; M110-G112 PolarHBondContact O-N 3.45Å; M110-Q113 PolarHBondContact O-N 3.49Å; M110-A114 WeakPolarHBondContact O-CB 3.47Å; M110-A114 PolarHBondContact O-N 3.31Å |
| 111 | D | 90.7 | Very high | 85.2 | Confident | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 173.4 | -94.5 | -11.1 | 0 | 0 | 0 | 111.8 | K107 Q113 A114 R115 | K107-D111 WeakPolarHBondContact CE-OD2 3.31Å; K107-D111 IonicContact NZ-OD2 3.61Å; K107-D111 PolarHBondContact NZ-OD2 3.35Å; K107-D111 WeakPolarHBondContact O-CB 3.49Å; K107-D111 PolarHBondContact O-N 2.97Å; D111-Q113 VanDerWaalsContact C-N 3.32Å; D111-Q113 PolarHBondContact O-N 2.94Å; D111-A114 PolarHBondContact O-N 3.47Å; D111-R115 WeakPolarHBondContact O-CG 3.3Å; D111-R115 PolarHBondContact O-N 3.14Å |
| 112 | G | 84.6 | Confident | 84.4 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 36% | 0.361 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D108 L109 M110 | D108-G112 PolarHBondContact O-N 3.38Å; D108-G112 VanDerWaalsContact O-N 3.07Å; L109-G112 PolarHBondContact O-N 2.93Å; M110-G112 VanDerWaalsContact C-N 3.35Å; M110-G112 PolarHBondContact O-N 3.45Å |
| 113 | Q | 77.9 | Confident | 83.6 | Confident | 59 Ų | 59 | 66.6 Ų | 66.6 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -75.6 | -38.9 | 176.9 | -67.8 | -158.3 | 5 | 0 | 0 | 113.4 | K60 L109 M110 D111 R115 K116 Q117 | K60-Q113 VanDerWaalsContact CG-OE1 3.29Å; L109-Q113 HydrophobicContact CD2-CG 4.25Å; L109-Q113 WeakPolarHBondContact O-CG 3.49Å; L109-Q113 PolarHBondContact O-N 3.42Å; L109-Q113 VanDerWaalsContact O-N 3.09Å; M110-Q113 PolarHBondContact O-N 3.49Å; D111-Q113 VanDerWaalsContact C-N 3.32Å; D111-Q113 PolarHBondContact O-N 2.94Å; Q113-R115 PolarHBondContact O-N 2.98Å; Q113-R115 VanDerWaalsContact O-N 3.15Å; Q113-K116 PolarHBondContact O-N 2.93Å; Q113-Q117 PolarHBondContact O-N 3.06Å |
| 114 | A | 70.6 | Confident | 82.6 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 14% | 0.14 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.7 | -16.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | K75 I78 M110 D111 | K75-A114 HydrophobicContact CD-CB 4.36Å; K75-A114 VanDerWaalsContact CE-C 3.46Å; K75-A114 VanDerWaalsContact CE-O 3.26Å; K75-A114 WeakPolarHBondContact CE-O 3.24Å; K75-A114 HydrophobicContact CG-CB 3.57Å; I78-A114 HydrophobicContact CD1-CB 4.29Å; M110-A114 WeakPolarHBondContact O-CB 3.47Å; M110-A114 PolarHBondContact O-N 3.31Å; D111-A114 PolarHBondContact O-N 3.47Å |
| 115 | R | 68.8 | Low | 81.6 | Confident | 163 Ų | 163 | 71.1 Ų | 71.1 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -80.1 | -26.5 | 170.1 | -69.4 | 174.4 | -171.1 | -166.9 | 2 | 113.7 | D111 Q113 Q117 S118 | D111-R115 WeakPolarHBondContact O-CG 3.3Å; D111-R115 PolarHBondContact O-N 3.14Å; Q113-R115 PolarHBondContact O-N 2.98Å; Q113-R115 VanDerWaalsContact O-N 3.15Å; R115-Q117 VanDerWaalsContact C-N 3.35Å; R115-S118 PolarHBondContact O-OG 3.27Å |
| 116 | K | 63.3 | Low | 80.4 | Confident | 189 Ų | 189 | 70.9 Ų | 70.9 | 82% | 0.822 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -82.7 | -14.1 | 179.4 | -70.4 | -174.2 | 177.2 | -175 | 0 | 113.4 | Q113 | Q113-K116 PolarHBondContact O-N 2.93Å |
| 117 | Q | 57.6 | Low | 78.9 | Confident | 127 Ų | 127 | 76.8 Ų | 76.8 | 59% | 0.593 | 40% | 0.396 | S | S | * | . | trans | -104.3 | -1.2 | -176.7 | -64.3 | -174.6 | -22.9 | 0 | 0 | 113.3 | Q113 R115 | Q113-Q117 PolarHBondContact O-N 3.06Å; R115-Q117 VanDerWaalsContact C-N 3.35Å | ||
| 118 | S | 51.3 | Low | 77.3 | Confident | 136 Ų | 136 | 79.5 Ų | 79.5 | 95% | 0.951 | 41% | 0.413 | S | S | * | . | trans | -106.4 | 0 | 173 | 65.2 | 0 | 0 | 0 | 0 | 109.8 | R115 | R115-S118 PolarHBondContact O-OG 3.27Š|
Retrieved 118 of 118 residues in 156.1 ms
(Link to these results)