| 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 | 62 | Low | 77.9 | Confident | 196 Ų | 196 | 143 Ų | 143 | 97% | 0.966 | 65% | 0.651 | S | S | * | * | 0 | -49.5 | 0 | -162.4 | 171.6 | 178.2 | 0 | 0 | 113.8 | I3 I4 V5 | M1-I3 VanDerWaalsContact C-N 3.28Å; M1-I3 PolarHBondContact O-N 2.98Å; M1-I3 VanDerWaalsContact O-N 3.13Å; M1-I4 PolarHBondContact O-N 3.36Å; M1-V5 PolarHBondContact O-N 2.85Å | |||
| 2 | R | 70.6 | Confident | 78.5 | Confident | 229 Ų | 229 | 139 Ų | 139 | 86% | 0.864 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -52.9 | -35.2 | -174.8 | -65.3 | -177.5 | 178.5 | 173.2 | -1.2 | 115.5 | I4 V5 L6 | R2-I4 PolarHBondContact O-N 2.95Å; R2-V5 PolarHBondContact O-N 2.84Å; R2-L6 PolarHBondContact O-N 2.97Å; R2-L6 VanDerWaalsContact O-N 3.11Å |
| 3 | I | 74.6 | Confident | 78.8 | Confident | 149 Ų | 149 | 136.4 Ų | 136.4 | 76% | 0.764 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.1 | -35.1 | 178.7 | -61.3 | 171.1 | 0 | 0 | 0 | 112.3 | M1 R7 | M1-I3 VanDerWaalsContact C-N 3.28Å; M1-I3 PolarHBondContact O-N 2.98Å; M1-I3 VanDerWaalsContact O-N 3.13Å; I3-R7 PolarHBondContact O-N 3.44Å; I3-R7 VanDerWaalsContact O-N 3.07Å |
| 4 | I | 80.4 | Confident | 78.9 | Confident | 111 Ų | 111 | 134 Ų | 134 | 57% | 0.569 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.2 | -38.7 | 179.3 | -61.1 | 172.1 | 0 | 0 | 0 | 110.5 | M1 R2 R7 R8 | M1-I4 PolarHBondContact O-N 3.36Å; R2-I4 PolarHBondContact O-N 2.95Å; I4-R7 PolarHBondContact O-N 3.47Å; I4-R8 PolarHBondContact O-N 2.78Å; I4-R8 VanDerWaalsContact O-N 3.14Å |
| 5 | V | 77.1 | Confident | 78.9 | Confident | 87 Ų | 87 | 133.7 Ų | 133.7 | 53% | 0.527 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.3 | -45.3 | 176.5 | -179 | 0 | 0 | 0 | 0 | 110.4 | M1 R2 R7 R8 Y9 | M1-V5 PolarHBondContact O-N 2.85Å; R2-V5 PolarHBondContact O-N 2.84Å; V5-R7 VanDerWaalsContact C-N 3.32Å; V5-R7 PolarHBondContact O-N 3.26Å; V5-R8 PolarHBondContact O-N 2.66Å; V5-Y9 WeakPolarHBondContact O-CB 3.27Å; V5-Y9 PolarHBondContact O-N 3.36Å |
| 6 | L | 80.7 | Confident | 78.8 | Confident | 105 Ų | 105 | 129.6 Ų | 129.6 | 55% | 0.55 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.2 | -38.3 | 178.3 | -170.9 | 65.9 | 0 | 0 | 0 | 112.1 | R2 Y9 L10 | R2-L6 PolarHBondContact O-N 2.97Å; R2-L6 VanDerWaalsContact O-N 3.11Å; L6-Y9 PolarHBondContact O-N 3.13Å; L6-L10 WeakPolarHBondContact O-CG 3.41Å; L6-L10 PolarHBondContact O-N 2.97Å |
| 7 | R | 77.7 | Confident | 78.7 | Confident | 186 Ų | 186 | 128.7 Ų | 128.7 | 70% | 0.702 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.4 | -43.2 | 176.4 | -164.1 | -172.9 | -154.9 | 178.2 | 7.5 | 112.2 | I3 I4 V5 L10 I11 | I3-R7 PolarHBondContact O-N 3.44Å; I3-R7 VanDerWaalsContact O-N 3.07Å; I4-R7 PolarHBondContact O-N 3.47Å; V5-R7 VanDerWaalsContact C-N 3.32Å; V5-R7 PolarHBondContact O-N 3.26Å; R7-L10 PolarHBondContact O-N 3.4Å; R7-I11 HydrophobicContact CG-CD1 4.38Å; R7-I11 WeakPolarHBondContact O-CG1 3.35Å; R7-I11 PolarHBondContact O-N 3.45Å; R7-I11 VanDerWaalsContact O-N 3.17Å |
| 8 | R | 83.7 | Confident | 78.5 | Confident | 175 Ų | 175 | 127.6 Ų | 127.6 | 66% | 0.66 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.8 | -44 | 176.4 | -71.9 | -175.6 | -179.1 | -127.6 | 2.1 | 111.3 | I4 V5 L10 I11 D12 | I4-R8 PolarHBondContact O-N 2.78Å; I4-R8 VanDerWaalsContact O-N 3.14Å; V5-R8 PolarHBondContact O-N 2.66Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.38Å; R8-I11 PolarHBondContact O-N 3.22Å; R8-I11 VanDerWaalsContact O-N 3.11Å; R8-D12 PolarHBondContact O-N 3.41Å |
| 9 | Y | 82.8 | Confident | 78.3 | Confident | 141 Ų | 141 | 126.2 Ų | 126.2 | 55% | 0.553 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -57.3 | -42 | 175.8 | -178.7 | -98.1 | 0 | 0 | 0 | 112.7 | V5 L6 H13 | V5-Y9 WeakPolarHBondContact O-CB 3.27Å; V5-Y9 PolarHBondContact O-N 3.36Å; L6-Y9 PolarHBondContact O-N 3.13Å; Y9-H13 VanDerWaalsContact O-CB 3.23Å; Y9-H13 WeakPolarHBondContact O-CB 3.33Å; Y9-H13 PolarHBondContact O-N 2.85Å |
| 10 | L | 83.8 | Confident | 78.1 | Confident | 97 Ų | 97 | 127.1 Ų | 127.1 | 51% | 0.508 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.7 | -36 | 176.7 | -71.6 | 172.5 | 0 | 0 | 0 | 112.8 | L6 R7 R8 L14 | L6-L10 WeakPolarHBondContact O-CG 3.41Å; L6-L10 PolarHBondContact O-N 2.97Å; R7-L10 PolarHBondContact O-N 3.4Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.38Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 VanDerWaalsContact O-CG 3.22Å; L10-L14 WeakPolarHBondContact O-CG 3.28Å; L10-L14 PolarHBondContact O-N 3.06Å |
| 11 | I | 83.9 | Confident | 77.4 | Confident | 97 Ų | 97 | 124.8 Ų | 124.8 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.6 | -49.5 | 177 | -67.2 | 166.1 | 0 | 0 | 0 | 110.2 | R7 R8 H13 L14 E15 | R7-I11 HydrophobicContact CG-CD1 4.38Å; R7-I11 WeakPolarHBondContact O-CG1 3.35Å; R7-I11 PolarHBondContact O-N 3.45Å; R7-I11 VanDerWaalsContact O-N 3.17Å; R8-I11 PolarHBondContact O-N 3.22Å; R8-I11 VanDerWaalsContact O-N 3.11Å; I11-H13 VanDerWaalsContact C-N 3.26Å; I11-H13 PolarHBondContact O-N 3.23Å; I11-L14 PolarHBondContact O-N 3.36Å; I11-L14 VanDerWaalsContact O-N 3.13Å; I11-E15 PolarHBondContact O-N 3.47Å |
| 12 | D | 85.3 | Confident | 77.5 | Confident | 95 Ų | 95 | 117.6 Ų | 117.6 | 51% | 0.508 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.3 | -38.7 | 178.4 | -68.6 | -2.1 | 0 | 0 | 0 | 111.4 | R8 E15 T16 | R8-D12 PolarHBondContact O-N 3.41Å; D12-E15 PolarHBondContact O-N 2.89Å; D12-T16 WeakPolarHBondContact O-CB 3.36Å; D12-T16 PolarHBondContact O-N 2.75Å; D12-T16 PolarHBondContact O-OG1 2.96Å |
| 13 | H | 82.2 | Confident | 77.2 | Confident | 105 Ų | 105 | 113.3 Ų | 113.3 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.8 | -36.4 | 177.9 | -164.2 | -67.3 | 0 | 0 | 0 | 112.2 | Y9 I11 F17 | Y9-H13 VanDerWaalsContact O-CB 3.23Å; Y9-H13 WeakPolarHBondContact O-CB 3.33Å; Y9-H13 PolarHBondContact O-N 2.85Å; I11-H13 VanDerWaalsContact C-N 3.26Å; I11-H13 PolarHBondContact O-N 3.23Å; H13-F17 VanDerWaalsContact O-CB 3.3Å; H13-F17 WeakPolarHBondContact O-CB 3.49Å; H13-F17 PolarHBondContact O-N 3.42Å |
| 14 | L | 79.9 | Confident | 76.6 | Confident | 103 Ų | 103 | 110 Ų | 110 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 173.9 | -77.4 | 170.3 | 0 | 0 | 0 | 111.6 | L10 I11 F17 I18 | L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 VanDerWaalsContact O-CG 3.22Å; L10-L14 WeakPolarHBondContact O-CG 3.28Å; L10-L14 PolarHBondContact O-N 3.06Å; I11-L14 PolarHBondContact O-N 3.36Å; I11-L14 VanDerWaalsContact O-N 3.13Å; L14-F17 PolarHBondContact O-N 3.4Å; L14-I18 WeakPolarHBondContact O-CB 3.27Å; L14-I18 VanDerWaalsContact O-CG1 3.24Å; L14-I18 WeakPolarHBondContact O-CG1 3.12Å; L14-I18 PolarHBondContact O-N 2.92Å |
| 15 | E | 79.2 | Confident | 75.4 | Confident | 129 Ų | 129 | 108.9 Ų | 108.9 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.5 | -48.2 | 175.7 | -173.8 | 170.4 | -161.6 | 0 | 0 | 111 | I11 D12 F17 I18 E19 | I11-E15 PolarHBondContact O-N 3.47Å; D12-E15 PolarHBondContact O-N 2.89Å; E15-F17 VanDerWaalsContact C-N 3.31Å; E15-F17 PolarHBondContact O-N 3.37Å; E15-I18 PolarHBondContact O-N 2.88Å; E15-E19 WeakPolarHBondContact O-CB 3.25Å; E15-E19 PolarHBondContact O-N 3.39Å |
| 16 | T | 77.8 | Confident | 74.4 | Confident | 68 Ų | 68 | 110.1 Ų | 110.1 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 175.1 | -55.9 | 0 | 0 | 0 | 0 | 112 | D12 E19 K20 | D12-T16 WeakPolarHBondContact O-CB 3.36Å; D12-T16 PolarHBondContact O-N 2.75Å; D12-T16 PolarHBondContact O-OG1 2.96Å; T16-E19 PolarHBondContact O-N 2.86Å; T16-K20 HydrophobicContact CG2-CD 4.39Å; T16-K20 WeakPolarHBondContact O-CB 3.37Å; T16-K20 WeakPolarHBondContact O-CG 3.36Å; T16-K20 PolarHBondContact O-N 3.07Å |
| 17 | F | 77.1 | Confident | 73.3 | Confident | 115 Ų | 115 | 106.8 Ų | 106.8 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 177 | -176.4 | -96.7 | 0 | 0 | 0 | 111.3 | H13 L14 E15 M21 | H13-F17 VanDerWaalsContact O-CB 3.3Å; H13-F17 WeakPolarHBondContact O-CB 3.49Å; H13-F17 PolarHBondContact O-N 3.42Å; L14-F17 PolarHBondContact O-N 3.4Å; E15-F17 VanDerWaalsContact C-N 3.31Å; E15-F17 PolarHBondContact O-N 3.37Å; F17-M21 HydrophobicContact CE1-SD 4.01Å; F17-M21 HydrophobicContact CZ-SD 4.5Å; F17-M21 WeakPolarHBondContact O-CB 3.42Å; F17-M21 PolarHBondContact O-N 2.89Å |
| 18 | I | 73.9 | Confident | 72.3 | Confident | 109 Ų | 109 | 102.4 Ų | 102.4 | 56% | 0.559 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.7 | -41 | 176.6 | -68.7 | 165.2 | 0 | 0 | 0 | 110.5 | L14 E15 M21 A22 | L14-I18 WeakPolarHBondContact O-CB 3.27Å; L14-I18 VanDerWaalsContact O-CG1 3.24Å; L14-I18 WeakPolarHBondContact O-CG1 3.12Å; L14-I18 PolarHBondContact O-N 2.92Å; E15-I18 PolarHBondContact O-N 2.88Å; I18-M21 CarbonylContact O-C 3.43Å; I18-M21 PolarHBondContact O-N 2.99Å; I18-A22 WeakPolarHBondContact O-CA 3.41Å; I18-A22 WeakPolarHBondContact O-CB 3.3Å; I18-A22 PolarHBondContact O-N 3.29Å |
| 19 | E | 75.1 | Confident | 71.2 | Confident | 100 Ų | 100 | 99 Ų | 99 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 179.4 | -162.3 | -166.8 | 162.5 | 0 | 0 | 111.5 | E15 T16 A22 K23 | E15-E19 WeakPolarHBondContact O-CB 3.25Å; E15-E19 PolarHBondContact O-N 3.39Å; T16-E19 PolarHBondContact O-N 2.86Å; E19-A22 PolarHBondContact O-N 3.45Å; E19-K23 WeakPolarHBondContact O-CB 3.27Å; E19-K23 WeakPolarHBondContact O-CG 3.18Å; E19-K23 PolarHBondContact O-N 2.84Å; E19-K23 VanDerWaalsContact OE1-CE 3.24Å; E19-K23 WeakPolarHBondContact OE1-CE 3.27Å; E19-K23 IonicContact OE1-NZ 2.66Å; E19-K23 PolarHBondContact OE1-NZ 3.47Å |
| 20 | K | 73.6 | Confident | 70.1 | Confident | 145 Ų | 145 | 100.7 Ų | 100.7 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -43 | 172.3 | -75.4 | -179.9 | -179.6 | 179.2 | 0 | 111.4 | T16 A22 K23 S24 | T16-K20 HydrophobicContact CG2-CD 4.39Å; T16-K20 WeakPolarHBondContact O-CB 3.37Å; T16-K20 WeakPolarHBondContact O-CG 3.36Å; T16-K20 PolarHBondContact O-N 3.07Å; K20-A22 VanDerWaalsContact C-N 3.31Å; K20-A22 PolarHBondContact O-N 3.17Å; K20-K23 PolarHBondContact O-N 3.41Å; K20-S24 VanDerWaalsContact O-CB 3.24Å; K20-S24 WeakPolarHBondContact O-CB 3.31Å; K20-S24 PolarHBondContact O-N 3.4Å |
| 21 | M | 64.2 | Low | 69 | Low | 78 Ų | 78 | 102 Ų | 102 | 38% | 0.384 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.2 | -33.2 | 177.8 | -155.2 | -177.8 | -145.9 | 0 | 0 | 111 | F17 I18 K25 | F17-M21 HydrophobicContact CE1-SD 4.01Å; F17-M21 HydrophobicContact CZ-SD 4.5Å; F17-M21 WeakPolarHBondContact O-CB 3.42Å; F17-M21 PolarHBondContact O-N 2.89Å; I18-M21 CarbonylContact O-C 3.43Å; I18-M21 PolarHBondContact O-N 2.99Å; M21-K25 VanDerWaalsContact CE-CE 3.48Å; M21-K25 HydrophobicContact CG-CD 3.74Å; M21-K25 HydrophobicContact CG-CG 4.07Å; M21-K25 WeakPolarHBondContact O-CA 3.36Å; M21-K25 WeakPolarHBondContact O-CB 3.36Å; M21-K25 WeakPolarHBondContact O-CG 3.22Å; M21-K25 PolarHBondContact O-N 3.42Å; M21-K25 HydrophobicContact SD-CD 4.15Å; M21-K25 WeakPolarHBondContact SD-CE 3.36Å; M21-K25 PolarHBondContact SD-NZ 3.46Å |
| 22 | A | 64.3 | Low | 67.8 | Low | 45 Ų | 45 | 100 Ų | 100 | 37% | 0.372 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.5 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I18 E19 K20 S24 K25 I26 | I18-A22 WeakPolarHBondContact O-CA 3.41Å; I18-A22 WeakPolarHBondContact O-CB 3.3Å; I18-A22 PolarHBondContact O-N 3.29Å; E19-A22 PolarHBondContact O-N 3.45Å; K20-A22 VanDerWaalsContact C-N 3.31Å; K20-A22 PolarHBondContact O-N 3.17Å; A22-S24 VanDerWaalsContact C-N 3.34Å; A22-S24 PolarHBondContact O-N 3.18Å; A22-K25 CarbonylContact O-C 3.42Å; A22-K25 PolarHBondContact O-N 2.74Å; A22-I26 WeakPolarHBondContact O-CB 3.37Å; A22-I26 VanDerWaalsContact O-CD1 3.32Å; A22-I26 WeakPolarHBondContact O-CD1 3.27Å; A22-I26 WeakPolarHBondContact O-CG1 3.44Å; A22-I26 PolarHBondContact O-N 3.27Å |
| 23 | K | 64.6 | Low | 66.7 | Low | 139 Ų | 139 | 98.7 Ų | 98.7 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -41.5 | 173.6 | -72.4 | 175.6 | -174.3 | 168.7 | 0 | 112 | E19 K20 | E19-K23 WeakPolarHBondContact O-CB 3.27Å; E19-K23 WeakPolarHBondContact O-CG 3.18Å; E19-K23 PolarHBondContact O-N 2.84Å; E19-K23 VanDerWaalsContact OE1-CE 3.24Å; E19-K23 WeakPolarHBondContact OE1-CE 3.27Å; E19-K23 IonicContact OE1-NZ 2.66Å; E19-K23 PolarHBondContact OE1-NZ 3.47Å; K20-K23 PolarHBondContact O-N 3.41Å |
| 24 | S | 61.5 | Low | 65.7 | Low | 80 Ų | 80 | 98.4 Ų | 98.4 | 56% | 0.559 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.1 | -39.1 | 175.6 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | K20 A22 G27 | K20-S24 VanDerWaalsContact O-CB 3.24Å; K20-S24 WeakPolarHBondContact O-CB 3.31Å; K20-S24 PolarHBondContact O-N 3.4Å; A22-S24 VanDerWaalsContact C-N 3.34Å; A22-S24 PolarHBondContact O-N 3.18Å; S24-G27 PolarHBondContact O-N 3.39Å |
| 25 | K | 55.7 | Low | 64.8 | Low | 88 Ų | 88 | 98.5 Ų | 98.5 | 38% | 0.383 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -81.2 | -16.1 | 178.9 | -74.7 | 178.3 | 174.2 | 177.3 | 0 | 113.6 | M21 A22 G27 I28 I29 | M21-K25 VanDerWaalsContact CE-CE 3.48Å; M21-K25 HydrophobicContact CG-CD 3.74Å; M21-K25 HydrophobicContact CG-CG 4.07Å; M21-K25 WeakPolarHBondContact O-CA 3.36Å; M21-K25 WeakPolarHBondContact O-CB 3.36Å; M21-K25 WeakPolarHBondContact O-CG 3.22Å; M21-K25 PolarHBondContact O-N 3.42Å; M21-K25 HydrophobicContact SD-CD 4.15Å; M21-K25 WeakPolarHBondContact SD-CE 3.36Å; M21-K25 PolarHBondContact SD-NZ 3.46Å; A22-K25 CarbonylContact O-C 3.42Å; A22-K25 PolarHBondContact O-N 2.74Å; K25-G27 PolarHBondContact O-N 2.74Å; K25-I28 HydrophobicContact CB-CB 4.41Å; K25-I28 HydrophobicContact CG-CB 4.46Å; K25-I28 HydrophobicContact CG-CD1 3.98Å; K25-I28 CarbonylContact O-C 3.5Å; K25-I28 WeakPolarHBondContact O-CA 3.46Å; K25-I28 PolarHBondContact O-N 2.85Å; K25-I29 HydrophobicContact CB-CD1 4.44Å; K25-I29 WeakPolarHBondContact O-CB 3.21Å; K25-I29 VanDerWaalsContact O-CG1 3.27Å; K25-I29 WeakPolarHBondContact O-CG1 3.45Å; K25-I29 PolarHBondContact O-N 3.08Å |
| 26 | I | 54.6 | Low | 63.9 | Low | 113 Ų | 113 | 94.9 Ų | 94.9 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.3 | -35.2 | 169.5 | -76.2 | 155.2 | 0 | 0 | 0 | 108.9 | A22 Y30 | A22-I26 WeakPolarHBondContact O-CB 3.37Å; A22-I26 VanDerWaalsContact O-CD1 3.32Å; A22-I26 WeakPolarHBondContact O-CD1 3.27Å; A22-I26 WeakPolarHBondContact O-CG1 3.44Å; A22-I26 PolarHBondContact O-N 3.27Å; I26-Y30 WeakPolarHBondContact O-CB 3.42Å; I26-Y30 PolarHBondContact O-N 2.91Å |
| 27 | G | 57.5 | Low | 63 | Low | 35 Ų | 35 | 98.7 Ų | 98.7 | 36% | 0.361 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 167 | 0 | 0 | 0 | 0 | 0 | 113.4 | S24 K25 Q31 | S24-G27 PolarHBondContact O-N 3.39Å; K25-G27 PolarHBondContact O-N 2.74Å; G27-Q31 WeakPolarHBondContact O-CB 3.33Å; G27-Q31 VanDerWaalsContact O-CG 3.23Å; G27-Q31 WeakPolarHBondContact O-CG 3.33Å; G27-Q31 PolarHBondContact O-N 3Å |
| 28 | I | 58 | Low | 62 | Low | 93 Ų | 93 | 99 Ų | 99 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76.2 | -35.2 | -179.2 | -57.8 | 171.1 | 0 | 0 | 0 | 112.3 | K25 Q31 A32 | K25-I28 HydrophobicContact CB-CB 4.41Å; K25-I28 HydrophobicContact CG-CB 4.46Å; K25-I28 HydrophobicContact CG-CD1 3.98Å; K25-I28 CarbonylContact O-C 3.5Å; K25-I28 WeakPolarHBondContact O-CA 3.46Å; K25-I28 PolarHBondContact O-N 2.85Å; I28-Q31 CarbonylContact O-C 3.5Å; I28-Q31 PolarHBondContact O-N 3.42Å; I28-A32 WeakPolarHBondContact O-CB 3.38Å; I28-A32 PolarHBondContact O-N 2.85Å |
| 29 | I | 59.4 | Low | 61.2 | Low | 104 Ų | 104 | 97.5 Ų | 97.5 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74.2 | -39.2 | 176.2 | -66.9 | 167.4 | 0 | 0 | 0 | 108.8 | K25 Q31 A32 S33 | K25-I29 HydrophobicContact CB-CD1 4.44Å; K25-I29 WeakPolarHBondContact O-CB 3.21Å; K25-I29 VanDerWaalsContact O-CG1 3.27Å; K25-I29 WeakPolarHBondContact O-CG1 3.45Å; K25-I29 PolarHBondContact O-N 3.08Å; I29-Q31 VanDerWaalsContact C-N 3.33Å; I29-A32 PolarHBondContact O-N 3.43Å; I29-S33 VanDerWaalsContact O-CB 3.27Å; I29-S33 WeakPolarHBondContact O-CB 3.36Å; I29-S33 PolarHBondContact O-N 2.78Å; I29-S33 PolarHBondContact O-OG 3.19Å; I29-S33 VanDerWaalsContact O-OG 3.08Å |
| 30 | Y | 60.3 | Low | 60.4 | Low | 176 Ų | 176 | 95.9 Ų | 95.9 | 69% | 0.69 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 170.2 | -173.7 | -97.2 | 0 | 0 | 0 | 111.1 | I26 S33 H34 | I26-Y30 WeakPolarHBondContact O-CB 3.42Å; I26-Y30 PolarHBondContact O-N 2.91Å; Y30-S33 PolarHBondContact O-N 3.48Å; Y30-H34 WeakPolarHBondContact O-CB 3.35Å; Y30-H34 PolarHBondContact O-N 2.72Å |
| 31 | Q | 59.8 | Low | 59.7 | Low | 126 Ų | 126 | 94.2 Ų | 94.2 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -39.5 | 173 | -76.7 | 178.2 | 42 | 0 | 0 | 112.7 | G27 I28 I29 H34 L35 | G27-Q31 WeakPolarHBondContact O-CB 3.33Å; G27-Q31 VanDerWaalsContact O-CG 3.23Å; G27-Q31 WeakPolarHBondContact O-CG 3.33Å; G27-Q31 PolarHBondContact O-N 3Å; I28-Q31 CarbonylContact O-C 3.5Å; I28-Q31 PolarHBondContact O-N 3.42Å; I29-Q31 VanDerWaalsContact C-N 3.33Å; Q31-H34 PolarHBondContact O-N 2.71Å; Q31-L35 WeakPolarHBondContact O-CB 3.33Å; Q31-L35 PolarHBondContact O-N 3.43Å |
| 32 | A | 60.1 | Low | 59.3 | Low | 53 Ų | 53 | 101 Ų | 101 | 44% | 0.438 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70 | -37.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I28 I29 L35 A36 | I28-A32 WeakPolarHBondContact O-CB 3.38Å; I28-A32 PolarHBondContact O-N 2.85Å; I29-A32 PolarHBondContact O-N 3.43Å; A32-L35 CarbonylContact O-C 3.48Å; A32-L35 WeakPolarHBondContact O-CB 3.27Å; A32-L35 PolarHBondContact O-N 3.31Å; A32-A36 VanDerWaalsContact O-CB 3.25Å; A32-A36 WeakPolarHBondContact O-CB 3.47Å; A32-A36 PolarHBondContact O-N 2.85Å |
| 33 | S | 61.1 | Low | 59 | Low | 69 Ų | 69 | 104.9 Ų | 104.9 | 48% | 0.483 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.8 | -38.6 | 173 | -70.7 | 0 | 0 | 0 | 0 | 111.3 | I29 Y30 A36 Q37 | I29-S33 VanDerWaalsContact O-CB 3.27Å; I29-S33 WeakPolarHBondContact O-CB 3.36Å; I29-S33 PolarHBondContact O-N 2.78Å; I29-S33 PolarHBondContact O-OG 3.19Å; I29-S33 VanDerWaalsContact O-OG 3.08Å; Y30-S33 PolarHBondContact O-N 3.48Å; S33-A36 CarbonylContact O-C 3.55Å; S33-A36 PolarHBondContact O-N 2.91Å; S33-Q37 WeakPolarHBondContact O-CB 3.49Å; S33-Q37 PolarHBondContact O-N 2.9Å |
| 34 | H | 61.7 | Low | 59.1 | Low | 98 Ų | 98 | 101.6 Ų | 101.6 | 45% | 0.454 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 172 | -170.3 | -99.9 | 0 | 0 | 0 | 111.3 | Y30 Q31 A36 Q37 F38 | Y30-H34 WeakPolarHBondContact O-CB 3.35Å; Y30-H34 PolarHBondContact O-N 2.72Å; Q31-H34 PolarHBondContact O-N 2.71Å; H34-A36 VanDerWaalsContact C-N 3.29Å; H34-A36 PolarHBondContact O-N 3.5Å; H34-Q37 PolarHBondContact O-N 3.43Å; H34-F38 AromaticContact CE1-CD2 3.91Å; H34-F38 AromaticContact CE1-CE2 3.43Å; H34-F38 VanDerWaalsContact CE1-CE2 3.43Å; H34-F38 WeakPolarHBondContact CE1-CE2 3.23Å; H34-F38 AromaticContact NE2-CE2 3.91Å; H34-F38 WeakPolarHBondContact O-CD2 3.24Å; H34-F38 PolarHBondContact O-N 3.03Å |
| 35 | L | 60.1 | Low | 59.5 | Low | 106 Ų | 106 | 103.4 Ų | 103.4 | 56% | 0.555 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.9 | -37.4 | 169.9 | -94 | 148.4 | 0 | 0 | 0 | 112.2 | Q31 A32 F38 V39 | Q31-L35 WeakPolarHBondContact O-CB 3.33Å; Q31-L35 PolarHBondContact O-N 3.43Å; A32-L35 CarbonylContact O-C 3.48Å; A32-L35 WeakPolarHBondContact O-CB 3.27Å; A32-L35 PolarHBondContact O-N 3.31Å; L35-F38 CarbonylContact O-C 3.59Å; L35-F38 WeakPolarHBondContact O-CB 3.3Å; L35-F38 PolarHBondContact O-N 3.45Å; L35-V39 WeakPolarHBondContact O-CG2 3.49Å; L35-V39 PolarHBondContact O-N 3.13Å |
| 36 | A | 60.9 | Low | 60.2 | Low | 53 Ų | 53 | 107.3 Ų | 107.3 | 44% | 0.438 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -73 | -26.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A32 S33 H34 V39 G40 | A32-A36 VanDerWaalsContact O-CB 3.25Å; A32-A36 WeakPolarHBondContact O-CB 3.47Å; A32-A36 PolarHBondContact O-N 2.85Å; S33-A36 CarbonylContact O-C 3.55Å; S33-A36 PolarHBondContact O-N 2.91Å; H34-A36 VanDerWaalsContact C-N 3.29Å; H34-A36 PolarHBondContact O-N 3.5Å; A36-V39 VanDerWaalsContact C-N 3.32Å; A36-V39 VanDerWaalsContact CA-CG2 3.49Å; A36-V39 HydrophobicContact CB-CG2 4.36Å; A36-V39 VanDerWaalsContact O-CA 3.28Å; A36-V39 WeakPolarHBondContact O-CA 3.48Å; A36-V39 WeakPolarHBondContact O-CB 3.46Å; A36-V39 PolarHBondContact O-N 3.28Å; A36-G40 PolarHBondContact O-N 2.85Å |
| 37 | Q | 58.6 | Low | 61 | Low | 148 Ų | 148 | 107.1 Ų | 107.1 | 69% | 0.692 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74 | -38.4 | 171.7 | -161.4 | 169.6 | -4.1 | 0 | 0 | 110.5 | S33 H34 V39 G40 | S33-Q37 WeakPolarHBondContact O-CB 3.49Å; S33-Q37 PolarHBondContact O-N 2.9Å; H34-Q37 PolarHBondContact O-N 3.43Å; Q37-V39 PolarHBondContact O-N 3.48Å; Q37-G40 PolarHBondContact O-N 3.11Å |
| 38 | F | 57.5 | Low | 61.4 | Low | 121 Ų | 121 | 108.2 Ų | 108.2 | 53% | 0.531 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64 | -14.7 | 162.6 | -87.1 | -93.3 | 0 | 0 | 0 | 112.6 | H34 L35 | H34-F38 AromaticContact CE1-CD2 3.91Å; H34-F38 AromaticContact CE1-CE2 3.43Å; H34-F38 VanDerWaalsContact CE1-CE2 3.43Å; H34-F38 WeakPolarHBondContact CE1-CE2 3.23Å; H34-F38 AromaticContact NE2-CE2 3.91Å; H34-F38 WeakPolarHBondContact O-CD2 3.24Å; H34-F38 PolarHBondContact O-N 3.03Å; L35-F38 CarbonylContact O-C 3.59Å; L35-F38 WeakPolarHBondContact O-CB 3.3Å; L35-F38 PolarHBondContact O-N 3.45Å |
| 39 | V | 56.3 | Low | 62.3 | Low | 77 Ų | 77 | 108.7 Ų | 108.7 | 47% | 0.467 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.7 | -29.2 | 168.6 | 173.9 | 0 | 0 | 0 | 0 | 113.8 | L35 A36 Q37 R48 | L35-V39 WeakPolarHBondContact O-CG2 3.49Å; L35-V39 PolarHBondContact O-N 3.13Å; A36-V39 VanDerWaalsContact C-N 3.32Å; A36-V39 VanDerWaalsContact CA-CG2 3.49Å; A36-V39 HydrophobicContact CB-CG2 4.36Å; A36-V39 VanDerWaalsContact O-CA 3.28Å; A36-V39 WeakPolarHBondContact O-CA 3.48Å; A36-V39 WeakPolarHBondContact O-CB 3.46Å; A36-V39 PolarHBondContact O-N 3.28Å; Q37-V39 PolarHBondContact O-N 3.48Å; V39-R48 VanDerWaalsContact CB-CZ 3.46Å; V39-R48 VanDerWaalsContact CG2-CZ 3.48Å; V39-R48 PolarHBondContact O-NH1 3.49Å |
| 40 | G | 57.8 | Low | 63.3 | Low | 67 Ų | 67 | 109.7 Ų | 109.7 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -79.1 | -17.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A36 Q37 | A36-G40 PolarHBondContact O-N 2.85Å; Q37-G40 PolarHBondContact O-N 3.11Å |
| 41 | E | 58.9 | Low | 64.2 | Low | 109 Ų | 109 | 106.1 Ų | 106.1 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -73.9 | 131.5 | 175.6 | -66.1 | -168.7 | 163.4 | 0 | 0 | 110 | K43 | E41-K43 PolarHBondContact O-N 3.4Š|
| 42 | K | 57.6 | Low | 65.1 | Low | 222 Ų | 222 | 102.6 Ų | 102.6 | 97% | 0.965 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -61.7 | 45.6 | -175.7 | -65.6 | -178.9 | 176.7 | 179.1 | 0 | 115 | ||
| 43 | K | 56.7 | Low | 66.1 | Low | 126 Ų | 126 | 102.9 Ų | 102.9 | 55% | 0.548 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -102.9 | 130.5 | 172.9 | -71.2 | -179.8 | -177.8 | 165.6 | 0 | 108.1 | E41 L45 R48 | E41-K43 PolarHBondContact O-N 3.4Å; K43-L45 PolarHBondContact O-N 3.14Å; K43-R48 WeakPolarHBondContact O-CD 3.11Å |
| 44 | S | 67.1 | Low | 67 | Low | 70 Ų | 70 | 101.6 Ų | 101.6 | 49% | 0.49 | 54% | 0.537 | S | S | . | . | trans | -46.4 | 133.1 | -176.5 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | K46 Q47 R48 | S44-K46 PolarHBondContact O-N 3Å; S44-Q47 WeakPolarHBondContact O-CA 3.18Å; S44-Q47 WeakPolarHBondContact O-CB 3.2Å; S44-Q47 PolarHBondContact O-N 3.28Å; S44-R48 PolarHBondContact O-N 2.97Å | ||
| 45 | L | 69 | Low | 67.9 | Low | 117 Ų | 117 | 98.8 Ų | 98.8 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -45.4 | -37.3 | 176.4 | 179.4 | 62.6 | 0 | 0 | 0 | 111.8 | K43 Q47 R48 I49 | K43-L45 PolarHBondContact O-N 3.14Å; L45-Q47 PolarHBondContact O-N 2.97Å; L45-R48 PolarHBondContact O-N 3.4Å; L45-I49 HydrophobicContact CD1-CD1 4.16Å; L45-I49 HydrophobicContact CD1-CG1 4.38Å; L45-I49 HydrophobicContact CD2-CD1 4.49Å; L45-I49 HydrophobicContact CG-CD1 3.86Å; L45-I49 HydrophobicContact CG-CG1 4.47Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 2.88Å |
| 46 | K | 71.9 | Confident | 68.9 | Low | 171 Ų | 171 | 98.9 Ų | 98.9 | 74% | 0.743 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -56.9 | -44.6 | 174.6 | -173 | 178.1 | -178.8 | 179.7 | 0 | 113.1 | S44 R48 H50 | S44-K46 PolarHBondContact O-N 3Å; K46-R48 VanDerWaalsContact C-N 3.32Å; K46-R48 PolarHBondContact O-N 2.94Å; K46-H50 WeakPolarHBondContact O-CB 2.97Å; K46-H50 PolarHBondContact O-N 2.96Å |
| 47 | Q | 71.6 | Confident | 69.8 | Low | 109 Ų | 109 | 100.7 Ų | 100.7 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 179.5 | -70.4 | 176.5 | -40.9 | 0 | 0 | 111.3 | S44 L45 H50 V51 | S44-Q47 WeakPolarHBondContact O-CA 3.18Å; S44-Q47 WeakPolarHBondContact O-CB 3.2Å; S44-Q47 PolarHBondContact O-N 3.28Å; L45-Q47 PolarHBondContact O-N 2.97Å; Q47-H50 WeakPolarHBondContact O-CB 3.11Å; Q47-H50 PolarHBondContact O-N 3.32Å; Q47-V51 VanDerWaalsContact O-CG2 3.27Å; Q47-V51 WeakPolarHBondContact O-CG2 3.35Å; Q47-V51 PolarHBondContact O-N 3.33Å |
| 48 | R | 64.7 | Low | 70.8 | Confident | 57 Ų | 57 | 99.3 Ų | 99.3 | 22% | 0.215 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -74.1 | -38.6 | -178.7 | -64.2 | 149.7 | 36.5 | 119.7 | 67.1 | 112.7 | V39 K43 S44 L45 K46 H50 V51 A52 | V39-R48 VanDerWaalsContact CB-CZ 3.46Å; V39-R48 VanDerWaalsContact CG2-CZ 3.48Å; V39-R48 PolarHBondContact O-NH1 3.49Å; K43-R48 WeakPolarHBondContact O-CD 3.11Å; S44-R48 PolarHBondContact O-N 2.97Å; L45-R48 PolarHBondContact O-N 3.4Å; K46-R48 VanDerWaalsContact C-N 3.32Å; K46-R48 PolarHBondContact O-N 2.94Å; R48-H50 VanDerWaalsContact C-N 3.26Å; R48-V51 PolarHBondContact O-N 3.11Å; R48-A52 VanDerWaalsContact O-CB 3.3Å; R48-A52 WeakPolarHBondContact O-CB 3.44Å; R48-A52 PolarHBondContact O-N 2.99Å |
| 49 | I | 78.1 | Confident | 71.8 | Confident | 103 Ų | 103 | 99.7 Ų | 99.7 | 53% | 0.528 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 171.4 | -68.2 | 170.7 | 0 | 0 | 0 | 109.2 | L45 A52 S53 | L45-I49 HydrophobicContact CD1-CD1 4.16Å; L45-I49 HydrophobicContact CD1-CG1 4.38Å; L45-I49 HydrophobicContact CD2-CD1 4.49Å; L45-I49 HydrophobicContact CG-CD1 3.86Å; L45-I49 HydrophobicContact CG-CG1 4.47Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 2.88Å; I49-A52 PolarHBondContact O-N 3.13Å; I49-S53 VanDerWaalsContact O-CB 3.27Å; I49-S53 WeakPolarHBondContact O-CB 3.42Å; I49-S53 PolarHBondContact O-N 2.99Å |
| 50 | H | 80.3 | Confident | 73 | Confident | 125 Ų | 125 | 99.5 Ų | 99.5 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.4 | -47.3 | 175.8 | -171.5 | -50.5 | 0 | 0 | 0 | 112 | K46 Q47 R48 A52 S53 S54 | K46-H50 WeakPolarHBondContact O-CB 2.97Å; K46-H50 PolarHBondContact O-N 2.96Å; Q47-H50 WeakPolarHBondContact O-CB 3.11Å; Q47-H50 PolarHBondContact O-N 3.32Å; R48-H50 VanDerWaalsContact C-N 3.26Å; H50-A52 PolarHBondContact O-N 2.83Å; H50-S53 PolarHBondContact O-N 2.84Å; H50-S54 PolarHBondContact CE1-OG 2.82Å; H50-S54 VanDerWaalsContact CE1-OG 3.29Å; H50-S54 PolarHBondContact ND1-OG 2.88Å; H50-S54 VanDerWaalsContact ND1-OG 3.13Å; H50-S54 WeakPolarHBondContact O-CB 3.13Å; H50-S54 PolarHBondContact O-N 3.27Å; H50-S54 PolarHBondContact O-OG 2.67Å |
| 51 | V | 78.3 | Confident | 74.1 | Confident | 101 Ų | 101 | 100.8 Ų | 100.8 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 178 | 170.9 | 0 | 0 | 0 | 0 | 111 | Q47 R48 S54 A55 | Q47-V51 VanDerWaalsContact O-CG2 3.27Å; Q47-V51 WeakPolarHBondContact O-CG2 3.35Å; Q47-V51 PolarHBondContact O-N 3.33Å; R48-V51 PolarHBondContact O-N 3.11Å; V51-S54 PolarHBondContact O-N 3.48Å; V51-A55 WeakPolarHBondContact O-CB 3.35Å; V51-A55 PolarHBondContact O-N 2.69Å |
| 52 | A | 79 | Confident | 74.8 | Confident | 53 Ų | 53 | 102.4 Ų | 102.4 | 44% | 0.438 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R48 I49 H50 A55 L56 | R48-A52 VanDerWaalsContact O-CB 3.3Å; R48-A52 WeakPolarHBondContact O-CB 3.44Å; R48-A52 PolarHBondContact O-N 2.99Å; I49-A52 PolarHBondContact O-N 3.13Å; H50-A52 PolarHBondContact O-N 2.83Å; A52-A55 PolarHBondContact O-N 3.21Å; A52-L56 WeakPolarHBondContact O-CB 3.43Å; A52-L56 PolarHBondContact O-N 3.37Å |
| 53 | S | 82 | Confident | 75.7 | Confident | 58 Ų | 58 | 94.2 Ų | 94.2 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 176.8 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | I49 H50 L56 I57 | I49-S53 VanDerWaalsContact O-CB 3.27Å; I49-S53 WeakPolarHBondContact O-CB 3.42Å; I49-S53 PolarHBondContact O-N 2.99Å; H50-S53 PolarHBondContact O-N 2.84Å; S53-L56 PolarHBondContact O-N 3.44Å; S53-I57 VanDerWaalsContact O-CG1 3.27Å; S53-I57 WeakPolarHBondContact O-CG1 3.34Å; S53-I57 PolarHBondContact O-N 2.93Å |
| 54 | S | 79.6 | Confident | 76.9 | Confident | 42 Ų | 42 | 91.3 Ų | 91.3 | 29% | 0.294 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 175.8 | -63 | 0 | 0 | 0 | 0 | 111.3 | H50 V51 L56 I57 L58 | H50-S54 PolarHBondContact CE1-OG 2.82Å; H50-S54 VanDerWaalsContact CE1-OG 3.29Å; H50-S54 PolarHBondContact ND1-OG 2.88Å; H50-S54 VanDerWaalsContact ND1-OG 3.13Å; H50-S54 WeakPolarHBondContact O-CB 3.13Å; H50-S54 PolarHBondContact O-N 3.27Å; H50-S54 PolarHBondContact O-OG 2.67Å; V51-S54 PolarHBondContact O-N 3.48Å; S54-L56 VanDerWaalsContact C-N 3.34Å; S54-L56 PolarHBondContact O-N 2.71Å; S54-I57 PolarHBondContact O-N 3.34Å; S54-L58 VanDerWaalsContact O-CB 3.31Å; S54-L58 WeakPolarHBondContact O-CB 3.23Å; S54-L58 WeakPolarHBondContact O-CG 3.38Å; S54-L58 PolarHBondContact O-N 3.28Å |
| 55 | A | 79.9 | Confident | 77.2 | Confident | 40 Ų | 40 | 92.6 Ų | 92.6 | 33% | 0.331 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V51 A52 L58 Q59 | V51-A55 WeakPolarHBondContact O-CB 3.35Å; V51-A55 PolarHBondContact O-N 2.69Å; A52-A55 PolarHBondContact O-N 3.21Å; A55-L58 PolarHBondContact O-N 3.45Å; A55-Q59 WeakPolarHBondContact O-CB 3.22Å; A55-Q59 VanDerWaalsContact O-CG 3.25Å; A55-Q59 WeakPolarHBondContact O-CG 3.25Å; A55-Q59 PolarHBondContact O-N 2.9Å |
| 56 | L | 81.2 | Confident | 77.5 | Confident | 107 Ų | 107 | 95.1 Ų | 95.1 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.7 | -42.4 | 177.3 | -172.4 | 67.6 | 0 | 0 | 0 | 112.2 | A52 S53 S54 Q59 T60 | A52-L56 WeakPolarHBondContact O-CB 3.43Å; A52-L56 PolarHBondContact O-N 3.37Å; S53-L56 PolarHBondContact O-N 3.44Å; S54-L56 VanDerWaalsContact C-N 3.34Å; S54-L56 PolarHBondContact O-N 2.71Å; L56-Q59 PolarHBondContact O-N 3.29Å; L56-T60 WeakPolarHBondContact O-CB 3.19Å; L56-T60 PolarHBondContact O-N 3.5Å; L56-T60 PolarHBondContact O-OG1 3.39Å |
| 57 | I | 79.6 | Confident | 77.6 | Confident | 91 Ų | 91 | 93.8 Ų | 93.8 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 175.9 | -68.2 | 165.3 | 0 | 0 | 0 | 110.6 | S53 S54 T60 N61 | S53-I57 VanDerWaalsContact O-CG1 3.27Å; S53-I57 WeakPolarHBondContact O-CG1 3.34Å; S53-I57 PolarHBondContact O-N 2.93Å; S54-I57 PolarHBondContact O-N 3.34Å; I57-T60 PolarHBondContact O-N 2.98Å; I57-N61 WeakPolarHBondContact O-CB 3.39Å; I57-N61 VanDerWaalsContact O-CG 3.3Å; I57-N61 PolarHBondContact O-N 3.04Å |
| 58 | L | 80.6 | Confident | 77.6 | Confident | 119 Ų | 119 | 92.4 Ų | 92.4 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 175.7 | -72.7 | 168.6 | 0 | 0 | 0 | 111.4 | S54 A55 T60 N61 M62 | S54-L58 VanDerWaalsContact O-CB 3.31Å; S54-L58 WeakPolarHBondContact O-CB 3.23Å; S54-L58 WeakPolarHBondContact O-CG 3.38Å; S54-L58 PolarHBondContact O-N 3.28Å; A55-L58 PolarHBondContact O-N 3.45Å; L58-T60 VanDerWaalsContact C-N 3.35Å; L58-T60 PolarHBondContact O-N 2.91Å; L58-N61 PolarHBondContact O-N 3.45Å; L58-M62 VanDerWaalsContact O-CB 3.27Å; L58-M62 WeakPolarHBondContact O-CB 3.49Å; L58-M62 PolarHBondContact O-N 2.63Å |
| 59 | Q | 78.1 | Confident | 77.8 | Confident | 129 Ų | 129 | 94.2 Ų | 94.2 | 60% | 0.603 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.5 | -40.4 | 174.4 | -76.7 | 178.5 | -13.1 | 0 | 0 | 111.9 | A55 L56 M62 A63 | A55-Q59 WeakPolarHBondContact O-CB 3.22Å; A55-Q59 VanDerWaalsContact O-CG 3.25Å; A55-Q59 WeakPolarHBondContact O-CG 3.25Å; A55-Q59 PolarHBondContact O-N 2.9Å; L56-Q59 PolarHBondContact O-N 3.29Å; Q59-M62 PolarHBondContact O-N 2.93Å; Q59-A63 WeakPolarHBondContact O-CB 3.39Å; Q59-A63 PolarHBondContact O-N 3.37Å |
| 60 | T | 81.7 | Confident | 77.2 | Confident | 73 Ų | 73 | 94.2 Ų | 94.2 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.8 | -44.7 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | L56 I57 L58 M62 S64 | L56-T60 WeakPolarHBondContact O-CB 3.19Å; L56-T60 PolarHBondContact O-N 3.5Å; L56-T60 PolarHBondContact O-OG1 3.39Å; I57-T60 PolarHBondContact O-N 2.98Å; L58-T60 VanDerWaalsContact C-N 3.35Å; L58-T60 PolarHBondContact O-N 2.91Å; T60-M62 VanDerWaalsContact C-N 3.34Å; T60-S64 WeakPolarHBondContact O-CB 3.49Å; T60-S64 PolarHBondContact O-N 3.31Å; T60-S64 PolarHBondContact O-OG 2.86Å |
| 61 | N | 79.7 | Confident | 76.7 | Confident | 94 Ų | 94 | 94 Ų | 94 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.2 | -41.1 | 176.4 | -73.9 | -13.5 | 0 | 0 | 0 | 111 | I57 L58 S64 V65 | I57-N61 WeakPolarHBondContact O-CB 3.39Å; I57-N61 VanDerWaalsContact O-CG 3.3Å; I57-N61 PolarHBondContact O-N 3.04Å; L58-N61 PolarHBondContact O-N 3.45Å; N61-S64 PolarHBondContact O-N 3.44Å; N61-V65 WeakPolarHBondContact O-CG2 3.39Å; N61-V65 PolarHBondContact O-N 3.33Å |
| 62 | M | 74.6 | Confident | 76.1 | Confident | 144 Ų | 144 | 99 Ų | 99 | 71% | 0.709 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.9 | -38.6 | -179.8 | -156.4 | 160.5 | 77.9 | 0 | 0 | 112.3 | L58 Q59 T60 S64 V65 F66 | L58-M62 VanDerWaalsContact O-CB 3.27Å; L58-M62 WeakPolarHBondContact O-CB 3.49Å; L58-M62 PolarHBondContact O-N 2.63Å; Q59-M62 PolarHBondContact O-N 2.93Å; T60-M62 VanDerWaalsContact C-N 3.34Å; M62-S64 VanDerWaalsContact C-N 3.33Å; M62-V65 PolarHBondContact O-N 2.66Å; M62-F66 PolarHBondContact O-N 3.27Å |
| 63 | A | 77.3 | Confident | 75.4 | Confident | 49 Ų | 49 | 107.6 Ų | 107.6 | 41% | 0.405 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.4 | -38.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q59 F66 L67 | Q59-A63 WeakPolarHBondContact O-CB 3.39Å; Q59-A63 PolarHBondContact O-N 3.37Å; A63-F66 PolarHBondContact O-N 2.85Å; A63-L67 WeakPolarHBondContact O-CB 3.24Å; A63-L67 WeakPolarHBondContact O-CG 3.24Å; A63-L67 PolarHBondContact O-N 3.03Å |
| 64 | S | 81.1 | Confident | 74.6 | Confident | 66 Ų | 66 | 110.4 Ų | 110.4 | 46% | 0.462 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.1 | -41.3 | 176.3 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | T60 N61 M62 L67 A68 | T60-S64 WeakPolarHBondContact O-CB 3.49Å; T60-S64 PolarHBondContact O-N 3.31Å; T60-S64 PolarHBondContact O-OG 2.86Å; N61-S64 PolarHBondContact O-N 3.44Å; M62-S64 VanDerWaalsContact C-N 3.33Å; S64-L67 PolarHBondContact O-N 2.99Å; S64-A68 WeakPolarHBondContact O-CB 3.37Å; S64-A68 PolarHBondContact O-N 3.45Å |
| 65 | V | 73.4 | Confident | 73.7 | Confident | 97 Ų | 97 | 113.8 Ų | 113.8 | 59% | 0.588 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.1 | -43.8 | 173.4 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | N61 M62 L67 A68 V69 | N61-V65 WeakPolarHBondContact O-CG2 3.39Å; N61-V65 PolarHBondContact O-N 3.33Å; M62-V65 PolarHBondContact O-N 2.66Å; V65-L67 PolarHBondContact O-N 2.88Å; V65-A68 PolarHBondContact O-N 3.17Å; V65-V69 WeakPolarHBondContact O-CG2 3.44Å; V65-V69 PolarHBondContact O-N 3.44Å |
| 66 | F | 75.3 | Confident | 73.1 | Confident | 170 Ų | 170 | 118.1 Ų | 118.1 | 75% | 0.746 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.7 | -40.6 | 178.6 | -175.5 | -97.9 | 0 | 0 | 0 | 112.7 | M62 A63 | M62-F66 PolarHBondContact O-N 3.27Å; A63-F66 PolarHBondContact O-N 2.85Å |
| 67 | L | 72.9 | Confident | 72.3 | Confident | 143 Ų | 143 | 122.5 Ų | 122.5 | 75% | 0.749 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.8 | -29.1 | 177.9 | -68.8 | 172.4 | 0 | 0 | 0 | 113.1 | A63 S64 V65 V69 | A63-L67 WeakPolarHBondContact O-CB 3.24Å; A63-L67 WeakPolarHBondContact O-CG 3.24Å; A63-L67 PolarHBondContact O-N 3.03Å; S64-L67 PolarHBondContact O-N 2.99Å; V65-L67 PolarHBondContact O-N 2.88Å; L67-V69 VanDerWaalsContact C-N 3.32Å |
| 68 | A | 73.3 | Confident | 71.8 | Confident | 79 Ų | 79 | 123.7 Ų | 123.7 | 65% | 0.653 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -78.3 | -14.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S64 V65 P70 | S64-A68 WeakPolarHBondContact O-CB 3.37Å; S64-A68 PolarHBondContact O-N 3.45Å; V65-A68 PolarHBondContact O-N 3.17Å; A68-P70 WeakPolarHBondContact O-CD 3.15Å |
| 69 | V | 68.4 | Low | 71.2 | Confident | 95 Ų | 95 | 121.5 Ų | 121.5 | 58% | 0.576 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -81.6 | 106.2 | 171.1 | 176.1 | 0 | 0 | 0 | 0 | 108.2 | V65 L67 | V65-V69 WeakPolarHBondContact O-CG2 3.44Å; V65-V69 PolarHBondContact O-N 3.44Å; L67-V69 VanDerWaalsContact C-N 3.32Å |
| 70 | P | 64.4 | Low | 69.7 | Low | 103 Ų | 103 | 125.8 Ų | 125.8 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | trans | -59.9 | 132.7 | 176.5 | 25.1 | -33 | 0 | 0 | 0 | 108.7 | A68 K72 | A68-P70 WeakPolarHBondContact O-CD 3.15Å; P70-K72 PolarHBondContact O-N 2.9Å; P70-K72 VanDerWaalsContact O-N 3.09Å | ||
| 71 | P | 69.6 | Low | 69.1 | Low | 121 Ų | 121 | 128.5 Ų | 128.5 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | trans | -58.8 | 122.1 | 179.3 | 23.6 | -32.5 | 0 | 0 | 0 | 108.4 | R73 | P71-R73 PolarHBondContact O-N 3.09Š| ||
| 72 | K | 65.9 | Low | 68.5 | Low | 207 Ų | 207 | 130.3 Ų | 130.3 | 90% | 0.9 | 74% | 0.737 | S | S | * | * | trans | -58 | 107.1 | 168.2 | -76.4 | -174.8 | 178 | 179.8 | 0 | 106.7 | P70 S74 | P70-K72 PolarHBondContact O-N 2.9Å; P70-K72 VanDerWaalsContact O-N 3.09Å; K72-S74 PolarHBondContact O-N 2.86Å | ||
| 73 | R | 65.1 | Low | 68.2 | Low | 233 Ų | 233 | 129.5 Ų | 129.5 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | trans | -57.8 | 102.3 | 170.3 | -90.3 | -174.2 | 174.7 | -175.2 | -1 | 107.2 | P71 T75 | P71-R73 PolarHBondContact O-N 3.09Å; R73-T75 VanDerWaalsContact C-N 3.32Å; R73-T75 PolarHBondContact O-N 3Å | ||
| 74 | S | 64.7 | Low | 67.7 | Low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -66.7 | 97.8 | 165.1 | -176.4 | 0 | 0 | 0 | 0 | 106.7 | K72 N76 | K72-S74 PolarHBondContact O-N 2.86Å; S74-N76 VanDerWaalsContact C-N 3.35Å; S74-N76 PolarHBondContact O-N 2.99Å | ||
| 75 | T | 61.6 | Low | 66.8 | Low | 113 Ų | 113 | 138.5 Ų | 138.5 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | trans | -71.9 | 91.2 | 174.9 | 46.7 | 0 | 0 | 0 | 0 | 108.7 | R73 K77 | R73-T75 VanDerWaalsContact C-N 3.32Å; R73-T75 PolarHBondContact O-N 3Å; T75-K77 PolarHBondContact O-N 3.15Å; T75-K77 VanDerWaalsContact O-N 3.15Å | ||
| 76 | N | 67.2 | Low | 66.4 | Low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -74.6 | 93.3 | 159.8 | -170.3 | 15.3 | 0 | 0 | 0 | 108 | S74 T78 | S74-N76 VanDerWaalsContact C-N 3.35Å; S74-N76 PolarHBondContact O-N 2.99Å; N76-T78 VanDerWaalsContact C-N 3.34Å; N76-T78 VanDerWaalsContact CG-OG1 3.28Å; N76-T78 PolarHBondContact ND2-OG1 3.08Å; N76-T78 VanDerWaalsContact ND2-OG1 3.16Å; N76-T78 PolarHBondContact O-N 3.12Å; N76-T78 VanDerWaalsContact O-N 3.12Å; N76-T78 PolarHBondContact OD1-OG1 3.16Å; N76-T78 VanDerWaalsContact OD1-OG1 3.08Å | ||
| 77 | K | 63.4 | Low | 65.8 | Low | 199 Ų | 199 | 139.2 Ų | 139.2 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -76.1 | 88.2 | 168.3 | -76.2 | -172.4 | 177.2 | -177.6 | 0 | 108 | T75 | T75-K77 PolarHBondContact O-N 3.15Å; T75-K77 VanDerWaalsContact O-N 3.15Å | ||
| 78 | T | 69.3 | Low | 65.2 | Low | 116 Ų | 116 | 138.9 Ų | 138.9 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | -102.5 | 120.6 | 166.7 | -45.9 | 0 | 0 | 0 | 0 | 108.1 | N76 | N76-T78 VanDerWaalsContact C-N 3.34Å; N76-T78 VanDerWaalsContact CG-OG1 3.28Å; N76-T78 PolarHBondContact ND2-OG1 3.08Å; N76-T78 VanDerWaalsContact ND2-OG1 3.16Å; N76-T78 PolarHBondContact O-N 3.12Å; N76-T78 VanDerWaalsContact O-N 3.12Å; N76-T78 PolarHBondContact OD1-OG1 3.16Å; N76-T78 VanDerWaalsContact OD1-OG1 3.08Å | ||
| 79 | G | 68.9 | Low | 64.5 | Low | 73 Ų | 73 | 143.9 Ų | 143.9 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | 124.7 | 72 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 80 | T | 46 | Very low | 64.2 | Low | 219 Ų | 219 | 148.4 Ų | 148.4 | 100% | 1.344 | 83% | 0.829 | S | S | * | * | trans | -143.2 | 0 | 131.2 | 46.9 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 80 of 80 residues in 148.1 ms
(Link to these results)