| 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 | 65.1 | Low | 73.6 | Confident | 174 Ų | 174 | 127.8 Ų | 127.8 | 86% | 0.857 | 61% | 0.605 | S | S | * | * | 0 | -45.9 | 0 | -78.5 | -92.5 | 142.8 | 0 | 0 | 113.3 | |||||
| 2 | I | 74.8 | Confident | 74.4 | Confident | 132 Ų | 132 | 126.3 Ų | 126.3 | 68% | 0.677 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.9 | -39.1 | 179.5 | -69.8 | 148.9 | 0 | 0 | 0 | 113.2 | Q4 R5 L6 | I2-Q4 VanDerWaalsContact C-N 3.34Å; I2-Q4 PolarHBondContact O-N 3.45Å; I2-R5 WeakPolarHBondContact O-CB 3.4Å; I2-R5 PolarHBondContact O-N 3.46Å; I2-R5 VanDerWaalsContact O-N 3.11Å; I2-L6 HydrophobicContact CG2-CD1 4.1Å; I2-L6 HydrophobicContact CG2-CG 4.42Å; I2-L6 WeakPolarHBondContact O-CG 3.5Å; I2-L6 PolarHBondContact O-N 2.92Å |
| 3 | L | 68.7 | Low | 75.1 | Confident | 126 Ų | 126 | 125.1 Ų | 125.1 | 66% | 0.66 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.6 | -36.7 | -178.7 | -152.4 | 74.5 | 0 | 0 | 0 | 113.4 | R5 L6 F7 | L3-R5 VanDerWaalsContact C-N 3.34Å; L3-L6 HydrophobicContact CD1-CD1 4.49Å; L3-L6 PolarHBondContact O-N 2.97Å; L3-F7 PolarHBondContact O-N 2.99Å |
| 4 | Q | 72.3 | Confident | 75.4 | Confident | 124 Ų | 124 | 129.4 Ų | 129.4 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.9 | -35.7 | 175 | -73.3 | 175.6 | -36.3 | 0 | 0 | 111.8 | I2 F7 R8 | I2-Q4 VanDerWaalsContact C-N 3.34Å; I2-Q4 PolarHBondContact O-N 3.45Å; Q4-F7 PolarHBondContact O-N 3.14Å; Q4-R8 WeakPolarHBondContact O-CB 3.49Å; Q4-R8 VanDerWaalsContact O-CG 3.3Å; Q4-R8 WeakPolarHBondContact O-CG 3.2Å; Q4-R8 PolarHBondContact O-N 3.44Å |
| 5 | R | 73.8 | Confident | 75.7 | Confident | 166 Ų | 166 | 125.5 Ų | 125.5 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.5 | -45.8 | 173.6 | -65.6 | -177.2 | -179.4 | -165.4 | 0.1 | 110.1 | I2 L3 F7 R8 F9 | I2-R5 WeakPolarHBondContact O-CB 3.4Å; I2-R5 PolarHBondContact O-N 3.46Å; I2-R5 VanDerWaalsContact O-N 3.11Å; L3-R5 VanDerWaalsContact C-N 3.34Å; R5-F7 PolarHBondContact O-N 3.18Å; R5-R8 PolarHBondContact O-N 2.89Å; R5-F9 HydrophobicContact CB-CD2 4.34Å; R5-F9 HydrophobicContact CB-CE2 4.21Å; R5-F9 WeakPolarHBondContact O-CD2 3.33Å; R5-F9 PolarHBondContact O-N 3.07Å |
| 6 | L | 74.6 | Confident | 76 | Confident | 102 Ų | 102 | 120.6 Ų | 120.6 | 53% | 0.534 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.7 | -43.3 | 175.3 | -68.4 | 171 | 0 | 0 | 0 | 112.4 | I2 L3 R8 F9 S10 | I2-L6 HydrophobicContact CG2-CD1 4.1Å; I2-L6 HydrophobicContact CG2-CG 4.42Å; I2-L6 WeakPolarHBondContact O-CG 3.5Å; I2-L6 PolarHBondContact O-N 2.92Å; L3-L6 HydrophobicContact CD1-CD1 4.49Å; L3-L6 PolarHBondContact O-N 2.97Å; L6-R8 PolarHBondContact O-N 3.13Å; L6-F9 PolarHBondContact O-N 3.38Å; L6-S10 WeakPolarHBondContact O-CB 3.42Å; L6-S10 PolarHBondContact O-N 3.36Å |
| 7 | F | 73.5 | Confident | 76.2 | Confident | 151 Ų | 151 | 117.5 Ų | 117.5 | 66% | 0.662 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.5 | -42.9 | 175 | -105.8 | -86 | 0 | 0 | 0 | 112.3 | L3 Q4 R5 S10 S11 | L3-F7 PolarHBondContact O-N 2.99Å; Q4-F7 PolarHBondContact O-N 3.14Å; R5-F7 PolarHBondContact O-N 3.18Å; F7-S10 PolarHBondContact O-N 3.37Å; F7-S10 PolarHBondContact O-OG 3.33Å; F7-S11 PolarHBondContact O-N 3.07Å |
| 8 | R | 75 | Confident | 76.2 | Confident | 194 Ų | 194 | 113.5 Ų | 113.5 | 73% | 0.732 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.1 | -42.1 | 176.3 | -75.3 | 180 | 165.5 | -162.5 | -3.8 | 112.5 | Q4 R5 L6 S11 I12 | Q4-R8 WeakPolarHBondContact O-CB 3.49Å; Q4-R8 VanDerWaalsContact O-CG 3.3Å; Q4-R8 WeakPolarHBondContact O-CG 3.2Å; Q4-R8 PolarHBondContact O-N 3.44Å; R5-R8 PolarHBondContact O-N 2.89Å; L6-R8 PolarHBondContact O-N 3.13Å; R8-S11 WeakPolarHBondContact O-CB 3.34Å; R8-S11 PolarHBondContact O-N 3.22Å; R8-I12 WeakPolarHBondContact O-CG1 3.46Å; R8-I12 PolarHBondContact O-N 3.27Å; R8-I12 VanDerWaalsContact O-N 3.13Å |
| 9 | F | 76.5 | Confident | 76.2 | Confident | 126 Ų | 126 | 110.4 Ų | 110.4 | 55% | 0.553 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.8 | -42.5 | 173.6 | -77.8 | -65.8 | 0 | 0 | 0 | 111.6 | R5 L6 S11 I12 I13 | R5-F9 HydrophobicContact CB-CD2 4.34Å; R5-F9 HydrophobicContact CB-CE2 4.21Å; R5-F9 WeakPolarHBondContact O-CD2 3.33Å; R5-F9 PolarHBondContact O-N 3.07Å; L6-F9 PolarHBondContact O-N 3.38Å; F9-S11 VanDerWaalsContact C-N 3.28Å; F9-S11 PolarHBondContact O-N 3.43Å; F9-I12 PolarHBondContact O-N 2.94Å; F9-I13 VanDerWaalsContact O-CG1 3.29Å; F9-I13 WeakPolarHBondContact O-CG1 3.3Å; F9-I13 PolarHBondContact O-N 3.45Å |
| 10 | S | 78.8 | Confident | 76.2 | Confident | 39 Ų | 39 | 111.2 Ų | 111.2 | 27% | 0.273 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.3 | -36 | 176.7 | 80.4 | 0 | 0 | 0 | 0 | 112.4 | L6 F7 R14 | L6-S10 WeakPolarHBondContact O-CB 3.42Å; L6-S10 PolarHBondContact O-N 3.36Å; F7-S10 PolarHBondContact O-N 3.37Å; F7-S10 PolarHBondContact O-OG 3.33Å; S10-R14 VanDerWaalsContact O-CB 3.26Å; S10-R14 WeakPolarHBondContact O-CB 3.36Å; S10-R14 WeakPolarHBondContact O-CG 3.36Å; S10-R14 PolarHBondContact O-N 3.44Å |
| 11 | S | 76.9 | Confident | 75.9 | Confident | 72 Ų | 72 | 110.6 Ų | 110.6 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 176.3 | 162.3 | 0 | 0 | 0 | 0 | 111.8 | F7 R8 F9 R14 S15 | F7-S11 PolarHBondContact O-N 3.07Å; R8-S11 WeakPolarHBondContact O-CB 3.34Å; R8-S11 PolarHBondContact O-N 3.22Å; F9-S11 VanDerWaalsContact C-N 3.28Å; F9-S11 PolarHBondContact O-N 3.43Å; S11-R14 PolarHBondContact O-N 2.85Å; S11-S15 WeakPolarHBondContact O-CB 3.46Å; S11-S15 PolarHBondContact O-N 2.94Å |
| 12 | I | 83.4 | Confident | 76 | Confident | 110 Ų | 110 | 111.1 Ų | 111.1 | 56% | 0.564 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.6 | -44.2 | 178.2 | -63.9 | 164.2 | 0 | 0 | 0 | 110.5 | R8 F9 S15 A16 | R8-I12 WeakPolarHBondContact O-CG1 3.46Å; R8-I12 PolarHBondContact O-N 3.27Å; R8-I12 VanDerWaalsContact O-N 3.13Å; F9-I12 PolarHBondContact O-N 2.94Å; I12-S15 PolarHBondContact O-N 3.49Å; I12-A16 WeakPolarHBondContact O-CB 3.44Å; I12-A16 PolarHBondContact O-N 3.4Å |
| 13 | I | 82.8 | Confident | 75.8 | Confident | 110 Ų | 110 | 114.6 Ų | 114.6 | 56% | 0.564 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.8 | -47.2 | 177.1 | -66.4 | 166.5 | 0 | 0 | 0 | 110.4 | F9 S15 A16 V17 | F9-I13 VanDerWaalsContact O-CG1 3.29Å; F9-I13 WeakPolarHBondContact O-CG1 3.3Å; F9-I13 PolarHBondContact O-N 3.45Å; I13-S15 VanDerWaalsContact C-N 3.28Å; I13-S15 PolarHBondContact O-N 3.26Å; I13-A16 PolarHBondContact O-N 3.47Å; I13-V17 HydrophobicContact CG2-CG2 4.22Å; I13-V17 VanDerWaalsContact O-CB 3.3Å; I13-V17 WeakPolarHBondContact O-CB 3.48Å; I13-V17 WeakPolarHBondContact O-CG2 3.45Å; I13-V17 PolarHBondContact O-N 3.19Å |
| 14 | R | 79.9 | Confident | 75.7 | Confident | 186 Ų | 186 | 112.7 Ų | 112.7 | 70% | 0.702 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59 | -39.8 | 176 | -76.2 | 173.8 | -177.1 | -157.1 | 2.4 | 112 | S10 S11 S18 | S10-R14 VanDerWaalsContact O-CB 3.26Å; S10-R14 WeakPolarHBondContact O-CB 3.36Å; S10-R14 WeakPolarHBondContact O-CG 3.36Å; S10-R14 PolarHBondContact O-N 3.44Å; S11-R14 PolarHBondContact O-N 2.85Å; R14-S18 WeakPolarHBondContact O-CB 3.48Å; R14-S18 PolarHBondContact O-N 2.98Å |
| 15 | S | 79.3 | Confident | 75.3 | Confident | 71 Ų | 71 | 112.5 Ų | 112.5 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.2 | -48.8 | 177.6 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | S11 I12 I13 V17 S18 V19 | S11-S15 WeakPolarHBondContact O-CB 3.46Å; S11-S15 PolarHBondContact O-N 2.94Å; I12-S15 PolarHBondContact O-N 3.49Å; I13-S15 VanDerWaalsContact C-N 3.28Å; I13-S15 PolarHBondContact O-N 3.26Å; S15-V17 PolarHBondContact O-N 3.32Å; S15-S18 WeakPolarHBondContact O-CB 3.29Å; S15-S18 PolarHBondContact O-N 3.23Å; S15-V19 WeakPolarHBondContact O-CG2 3.35Å; S15-V19 PolarHBondContact O-N 3.42Å |
| 16 | A | 81.1 | Confident | 74.9 | Confident | 46 Ų | 46 | 107.3 Ų | 107.3 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I12 I13 S18 V19 H20 | I12-A16 WeakPolarHBondContact O-CB 3.44Å; I12-A16 PolarHBondContact O-N 3.4Å; I13-A16 PolarHBondContact O-N 3.47Å; A16-S18 VanDerWaalsContact C-N 3.35Å; A16-S18 PolarHBondContact O-N 3.27Å; A16-V19 PolarHBondContact O-N 3.33Å; A16-H20 PolarHBondContact O-CD2 2.95Å; A16-H20 PolarHBondContact O-N 3.11Å |
| 17 | V | 78.8 | Confident | 74.5 | Confident | 68 Ų | 68 | 107.5 Ų | 107.5 | 41% | 0.412 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 176.4 | 172.2 | 0 | 0 | 0 | 0 | 111 | I13 S15 V19 H20 F21 | I13-V17 HydrophobicContact CG2-CG2 4.22Å; I13-V17 VanDerWaalsContact O-CB 3.3Å; I13-V17 WeakPolarHBondContact O-CB 3.48Å; I13-V17 WeakPolarHBondContact O-CG2 3.45Å; I13-V17 PolarHBondContact O-N 3.19Å; S15-V17 PolarHBondContact O-N 3.32Å; V17-V19 PolarHBondContact O-N 3.49Å; V17-H20 PolarHBondContact O-N 3.4Å; V17-F21 HydrophobicContact CG1-CD2 3.49Å; V17-F21 VanDerWaalsContact CG1-CD2 3.49Å; V17-F21 HydrophobicContact CG1-CE2 3.35Å; V17-F21 WeakPolarHBondContact O-CD2 3.14Å; V17-F21 PolarHBondContact O-N 3.44Å |
| 18 | S | 76.8 | Confident | 74.1 | Confident | 46 Ų | 46 | 101.5 Ų | 101.5 | 32% | 0.322 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 112.6 | R14 S15 A16 F21 R22 | R14-S18 WeakPolarHBondContact O-CB 3.48Å; R14-S18 PolarHBondContact O-N 2.98Å; S15-S18 WeakPolarHBondContact O-CB 3.29Å; S15-S18 PolarHBondContact O-N 3.23Å; A16-S18 VanDerWaalsContact C-N 3.35Å; A16-S18 PolarHBondContact O-N 3.27Å; S18-F21 PolarHBondContact O-N 3.05Å; S18-R22 VanDerWaalsContact O-CB 3.27Å; S18-R22 WeakPolarHBondContact O-CB 3.42Å; S18-R22 WeakPolarHBondContact O-CG 3.05Å; S18-R22 PolarHBondContact O-N 3.09Å; S18-R22 PolarHBondContact OG-NE 2.97Å |
| 19 | V | 76.8 | Confident | 73.6 | Confident | 55 Ų | 55 | 94.1 Ų | 94.1 | 33% | 0.333 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 177.5 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | S15 A16 V17 R22 R23 | S15-V19 WeakPolarHBondContact O-CG2 3.35Å; S15-V19 PolarHBondContact O-N 3.42Å; A16-V19 PolarHBondContact O-N 3.33Å; V17-V19 PolarHBondContact O-N 3.49Å; V19-R22 PolarHBondContact O-N 3.08Å; V19-R23 WeakPolarHBondContact O-CG 3.36Å; V19-R23 PolarHBondContact O-N 3.22Å |
| 20 | H | 74.5 | Confident | 73 | Confident | 125 Ų | 125 | 91.3 Ų | 91.3 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66 | -40.1 | 176.8 | -72 | -65.7 | 0 | 0 | 0 | 112.3 | A16 V17 N24 | A16-H20 PolarHBondContact O-CD2 2.95Å; A16-H20 PolarHBondContact O-N 3.11Å; V17-H20 PolarHBondContact O-N 3.4Å; H20-N24 PolarHBondContact O-N 3.23Å; H20-N24 PolarHBondContact O-ND2 3.38Å |
| 21 | F | 70.1 | Confident | 72.4 | Confident | 99 Ų | 99 | 93 Ų | 93 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69 | -40.6 | 174.2 | -79.1 | -63.2 | 0 | 0 | 0 | 112.6 | V17 S18 R23 N24 T28 F32 | V17-F21 HydrophobicContact CG1-CD2 3.49Å; V17-F21 VanDerWaalsContact CG1-CD2 3.49Å; V17-F21 HydrophobicContact CG1-CE2 3.35Å; V17-F21 WeakPolarHBondContact O-CD2 3.14Å; V17-F21 PolarHBondContact O-N 3.44Å; S18-F21 PolarHBondContact O-N 3.05Å; F21-R23 VanDerWaalsContact C-N 3.27Å; F21-R23 PolarHBondContact O-N 3.33Å; F21-N24 CarbonylContact O-C 3.26Å; F21-N24 PolarHBondContact O-N 2.62Å; F21-N24 VanDerWaalsContact O-N 3.16Å; F21-T28 HydrophobicContact CB-CG2 4.22Å; F21-T28 HydrophobicContact CD1-CG2 3.74Å; F21-T28 WeakPolarHBondContact CD1-OG1 3.42Å; F21-T28 HydrophobicContact CG-CG2 4.35Å; F21-T28 PolarHBondContact O-OG1 3.43Å; F21-F32 HydrophobicContact CD1-CE2 4.19Å; F21-F32 AromaticContact CE1-CE2 3.85Å; F21-F32 HydrophobicContact CE1-CE2 3.85Å; F21-F32 HydrophobicContact CE1-CZ 4.38Å; F21-F32 HydrophobicContact CZ-CE2 4.4Å; F21-F32 HydrophobicContact CZ-CZ 4.49Å |
| 22 | R | 68.5 | Low | 71.7 | Confident | 185 Ų | 185 | 96.2 Ų | 96.2 | 70% | 0.698 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.2 | -23.8 | 176.8 | -75.8 | 176.9 | -177.4 | -148.5 | -1.2 | 113.9 | S18 V19 I25 | S18-R22 VanDerWaalsContact O-CB 3.27Å; S18-R22 WeakPolarHBondContact O-CB 3.42Å; S18-R22 WeakPolarHBondContact O-CG 3.05Å; S18-R22 PolarHBondContact O-N 3.09Å; S18-R22 PolarHBondContact OG-NE 2.97Å; V19-R22 PolarHBondContact O-N 3.08Å; R22-I25 WeakPolarHBondContact O-CD1 3.32Å; R22-I25 WeakPolarHBondContact O-CG1 3.26Å |
| 23 | R | 70.3 | Confident | 71 | Confident | 205 Ų | 205 | 95.3 Ų | 95.3 | 77% | 0.774 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -87.9 | -16 | 174.6 | -73.6 | -179.5 | 170.8 | 161.3 | -2.4 | 113.2 | V19 F21 | V19-R23 WeakPolarHBondContact O-CG 3.36Å; V19-R23 PolarHBondContact O-N 3.22Å; F21-R23 VanDerWaalsContact C-N 3.27Å; F21-R23 PolarHBondContact O-N 3.33Å |
| 24 | N | 67.3 | Low | 70 | Confident | 86 Ų | 86 | 100.2 Ų | 100.2 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | trans | -110.2 | 47.9 | 178.1 | -70.9 | -78.5 | 0 | 0 | 0 | 111.1 | H20 F21 G26 V27 T28 | H20-N24 PolarHBondContact O-N 3.23Å; H20-N24 PolarHBondContact O-ND2 3.38Å; F21-N24 CarbonylContact O-C 3.26Å; F21-N24 PolarHBondContact O-N 2.62Å; F21-N24 VanDerWaalsContact O-N 3.16Å; N24-G26 PolarHBondContact O-N 3.4Å; N24-V27 PolarHBondContact O-N 3.46Å; N24-T28 VanDerWaalsContact O-CB 3.24Å; N24-T28 WeakPolarHBondContact O-CB 3.46Å; N24-T28 PolarHBondContact O-N 3.47Å; N24-T28 PolarHBondContact O-OG1 3.46Å | ||
| 25 | I | 63 | Low | 69.6 | Low | 120 Ų | 120 | 99.5 Ų | 99.5 | 62% | 0.615 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57 | -38 | -174.5 | -62 | 176.5 | 0 | 0 | 0 | 111.5 | R22 A29 | R22-I25 WeakPolarHBondContact O-CD1 3.32Å; R22-I25 WeakPolarHBondContact O-CG1 3.26Å; I25-A29 WeakPolarHBondContact O-CB 3.49Å; I25-A29 PolarHBondContact O-N 2.85Å |
| 26 | G | 65.4 | Low | 69.1 | Low | 57 Ų | 57 | 98.4 Ų | 98.4 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -47.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N24 V30 | N24-G26 PolarHBondContact O-N 3.4Å; G26-V30 WeakPolarHBondContact O-CG2 3.4Å; G26-V30 PolarHBondContact O-N 3.18Å |
| 27 | V | 66.4 | Low | 69.3 | Low | 106 Ų | 106 | 100.1 Ų | 100.1 | 64% | 0.642 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -74 | -37.1 | 180 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | N24 A31 | N24-V27 PolarHBondContact O-N 3.46Å; V27-A31 VanDerWaalsContact O-CB 3.3Å; V27-A31 WeakPolarHBondContact O-CB 3.35Å; V27-A31 PolarHBondContact O-N 3.22Å |
| 28 | T | 63.8 | Low | 69.6 | Low | 26 Ų | 26 | 101.4 Ų | 101.4 | 16% | 0.16 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -71.2 | -40.5 | -179.8 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | F21 N24 V30 A31 F32 | F21-T28 HydrophobicContact CB-CG2 4.22Å; F21-T28 HydrophobicContact CD1-CG2 3.74Å; F21-T28 WeakPolarHBondContact CD1-OG1 3.42Å; F21-T28 HydrophobicContact CG-CG2 4.35Å; F21-T28 PolarHBondContact O-OG1 3.43Å; N24-T28 VanDerWaalsContact O-CB 3.24Å; N24-T28 WeakPolarHBondContact O-CB 3.46Å; N24-T28 PolarHBondContact O-N 3.47Å; N24-T28 PolarHBondContact O-OG1 3.46Å; T28-V30 PolarHBondContact O-N 2.86Å; T28-A31 PolarHBondContact O-N 3.43Å; T28-F32 HydrophobicContact CG2-CD2 3.43Å; T28-F32 VanDerWaalsContact CG2-CD2 3.43Å; T28-F32 HydrophobicContact CG2-CE2 3.75Å; T28-F32 WeakPolarHBondContact O-CB 3.47Å; T28-F32 VanDerWaalsContact O-CD2 3.31Å; T28-F32 WeakPolarHBondContact O-CD2 3.33Å; T28-F32 PolarHBondContact O-N 3.15Å |
| 29 | A | 65.6 | Low | 70.2 | Confident | 38 Ų | 38 | 104.2 Ų | 104.2 | 31% | 0.314 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I25 N33 | I25-A29 WeakPolarHBondContact O-CB 3.49Å; I25-A29 PolarHBondContact O-N 2.85Å; A29-N33 WeakPolarHBondContact O-CB 3.27Å; A29-N33 VanDerWaalsContact O-CG 3.25Å; A29-N33 PolarHBondContact O-N 2.94Å; A29-N33 PolarHBondContact O-ND2 3.45Å; A29-N33 VanDerWaalsContact O-ND2 3.11Å |
| 30 | V | 63.9 | Low | 70.6 | Confident | 68 Ų | 68 | 105.8 Ų | 105.8 | 41% | 0.412 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 176 | 177 | 0 | 0 | 0 | 0 | 111.8 | G26 T28 L36 | G26-V30 WeakPolarHBondContact O-CG2 3.4Å; G26-V30 PolarHBondContact O-N 3.18Å; T28-V30 PolarHBondContact O-N 2.86Å; V30-L36 HydrophobicContact CG1-CD2 3.98Å |
| 31 | A | 65.3 | Low | 71.3 | Confident | 74 Ų | 74 | 105.1 Ų | 105.1 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.8 | -30.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V27 T28 | V27-A31 VanDerWaalsContact O-CB 3.3Å; V27-A31 WeakPolarHBondContact O-CB 3.35Å; V27-A31 PolarHBondContact O-N 3.22Å; T28-A31 PolarHBondContact O-N 3.43Å |
| 32 | F | 63.9 | Low | 72.3 | Confident | 139 Ų | 139 | 105.7 Ų | 105.7 | 61% | 0.61 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -107.6 | -8.5 | -176.8 | -70.4 | -81.1 | 0 | 0 | 0 | 114.3 | F21 T28 K34 | F21-F32 HydrophobicContact CD1-CE2 4.19Å; F21-F32 AromaticContact CE1-CE2 3.85Å; F21-F32 HydrophobicContact CE1-CE2 3.85Å; F21-F32 HydrophobicContact CE1-CZ 4.38Å; F21-F32 HydrophobicContact CZ-CE2 4.4Å; F21-F32 HydrophobicContact CZ-CZ 4.49Å; T28-F32 HydrophobicContact CG2-CD2 3.43Å; T28-F32 VanDerWaalsContact CG2-CD2 3.43Å; T28-F32 HydrophobicContact CG2-CE2 3.75Å; T28-F32 WeakPolarHBondContact O-CB 3.47Å; T28-F32 VanDerWaalsContact O-CD2 3.31Å; T28-F32 WeakPolarHBondContact O-CD2 3.33Å; T28-F32 PolarHBondContact O-N 3.15Å; F32-K34 PolarHBondContact O-N 3Å |
| 33 | N | 66.8 | Low | 73.4 | Confident | 92 Ų | 92 | 103.7 Ų | 103.7 | 49% | 0.492 | 55% | 0.545 | S | S | . | . | trans | -72 | 111.8 | 169.4 | -91 | -36.3 | 0 | 0 | 0 | 110 | A29 E35 | A29-N33 WeakPolarHBondContact O-CB 3.27Å; A29-N33 VanDerWaalsContact O-CG 3.25Å; A29-N33 PolarHBondContact O-N 2.94Å; A29-N33 PolarHBondContact O-ND2 3.45Å; A29-N33 VanDerWaalsContact O-ND2 3.11Å; N33-E35 PolarHBondContact O-N 3.45Å | ||
| 34 | K | 63.8 | Low | 74.4 | Confident | 212 Ų | 212 | 95.9 Ų | 95.9 | 92% | 0.922 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -63.1 | -27.2 | 168.6 | -69.2 | -178.9 | 177.6 | 178.3 | 0 | 111.7 | F32 | F32-K34 PolarHBondContact O-N 3Š|
| 35 | E | 70.1 | Confident | 75.7 | Confident | 172 Ų | 172 | 94.8 Ų | 94.8 | 80% | 0.804 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -114.3 | 95.4 | 175.5 | -65.7 | -179.9 | -169.8 | 0 | 0 | 108.4 | N33 | N33-E35 PolarHBondContact O-N 3.45Š|
| 36 | L | 69.2 | Low | 77.2 | Confident | 47 Ų | 47 | 94.9 Ų | 94.9 | 25% | 0.246 | 51% | 0.51 | C | S | . | . | trans | -60.9 | 145.1 | 169.7 | -68.9 | 172.1 | 0 | 0 | 0 | 109.3 | V30 K41 V44 | V30-L36 HydrophobicContact CG1-CD2 3.98Å; L36-K41 HydrophobicContact CB-CB 4.13Å; L36-V44 HydrophobicContact CD1-CG2 4.42Å | ||
| 37 | D | 84.6 | Confident | 78.6 | Confident | 82 Ų | 82 | 96.5 Ų | 96.5 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | trans | -50.3 | 137.9 | 167.5 | 171.6 | 70.3 | 0 | 0 | 0 | 109.8 | V39 Q40 K41 | D37-V39 PolarHBondContact O-N 2.99Å; D37-V39 WeakPolarHBondContact OD2-CB 3.39Å; D37-V39 PolarHBondContact OD2-N 3.31Å; D37-V39 VanDerWaalsContact OD2-N 3.13Å; D37-Q40 HydrophobicContact CB-CB 4.36Å; D37-Q40 HydrophobicContact CB-CG 4.15Å; D37-Q40 PolarHBondContact O-N 2.74Å; D37-K41 PolarHBondContact O-N 3.01Å | ||
| 38 | P | 86.5 | Confident | 79.9 | Confident | 95 Ų | 95 | 99 Ų | 99 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -51.2 | -35.4 | -175.7 | -31.5 | 37.1 | 0 | 0 | 0 | 114.3 | L42 | P38-L42 WeakPolarHBondContact O-CG 3.37Å; P38-L42 PolarHBondContact O-N 3.38Å; P38-L42 VanDerWaalsContact O-N 3.16Å |
| 39 | V | 88.4 | Confident | 81.3 | Confident | 106 Ų | 106 | 101.4 Ų | 101.4 | 64% | 0.642 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.8 | -43.4 | 178.6 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | D37 K41 L42 F43 | D37-V39 PolarHBondContact O-N 2.99Å; D37-V39 WeakPolarHBondContact OD2-CB 3.39Å; D37-V39 PolarHBondContact OD2-N 3.31Å; D37-V39 VanDerWaalsContact OD2-N 3.13Å; V39-K41 VanDerWaalsContact C-N 3.3Å; V39-K41 PolarHBondContact O-N 3.25Å; V39-L42 PolarHBondContact O-N 2.71Å; V39-F43 PolarHBondContact O-N 2.9Å |
| 40 | Q | 85.9 | Confident | 82.6 | Confident | 87 Ų | 87 | 106.8 Ų | 106.8 | 41% | 0.407 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 177 | -64.8 | -178.1 | -0.9 | 0 | 0 | 111.7 | D37 F43 V44 | D37-Q40 HydrophobicContact CB-CB 4.36Å; D37-Q40 HydrophobicContact CB-CG 4.15Å; D37-Q40 PolarHBondContact O-N 2.74Å; Q40-F43 PolarHBondContact O-N 3.44Å; Q40-V44 WeakPolarHBondContact O-CG2 3.46Å; Q40-V44 PolarHBondContact O-N 3.03Å; Q40-V44 VanDerWaalsContact O-N 3.07Å |
| 41 | K | 87.8 | Confident | 84 | Confident | 112 Ų | 112 | 109.4 Ų | 109.4 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 175 | -175.2 | 177 | 178.2 | -177.6 | 0 | 111.4 | L36 D37 V39 F43 V44 D45 | L36-K41 HydrophobicContact CB-CB 4.13Å; D37-K41 PolarHBondContact O-N 3.01Å; V39-K41 VanDerWaalsContact C-N 3.3Å; V39-K41 PolarHBondContact O-N 3.25Å; K41-F43 VanDerWaalsContact C-N 3.29Å; K41-F43 PolarHBondContact O-N 2.93Å; K41-V44 PolarHBondContact O-N 3.35Å; K41-D45 WeakPolarHBondContact CG-OD2 3.35Å; K41-D45 WeakPolarHBondContact O-CB 3.33Å; K41-D45 VanDerWaalsContact O-CG 3.25Å; K41-D45 PolarHBondContact O-N 2.95Å |
| 42 | L | 91.8 | Very high | 85.2 | Confident | 110 Ų | 110 | 109 Ų | 109 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -57.2 | -42.8 | 177.1 | -73.3 | 170.1 | 0 | 0 | 0 | 112.1 | P38 V39 D45 K46 | P38-L42 WeakPolarHBondContact O-CG 3.37Å; P38-L42 PolarHBondContact O-N 3.38Å; P38-L42 VanDerWaalsContact O-N 3.16Å; V39-L42 PolarHBondContact O-N 2.71Å; L42-D45 PolarHBondContact O-N 3.26Å; L42-K46 WeakPolarHBondContact O-CB 3.31Å; L42-K46 VanDerWaalsContact O-CG 3.31Å; L42-K46 WeakPolarHBondContact O-CG 3.48Å; L42-K46 PolarHBondContact O-N 3.18Å |
| 43 | F | 91.9 | Very high | 86.5 | Confident | 143 Ų | 143 | 106 Ų | 106 | 63% | 0.627 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -46.9 | 178.7 | -173.3 | -105.2 | 0 | 0 | 0 | 112 | V39 Q40 K41 D45 K46 I47 | V39-F43 PolarHBondContact O-N 2.9Å; Q40-F43 PolarHBondContact O-N 3.44Å; K41-F43 VanDerWaalsContact C-N 3.29Å; K41-F43 PolarHBondContact O-N 2.93Å; F43-D45 VanDerWaalsContact C-N 3.33Å; F43-D45 PolarHBondContact O-N 3.04Å; F43-K46 PolarHBondContact O-N 2.97Å; F43-I47 HydrophobicContact CD1-CD1 3.66Å; F43-I47 HydrophobicContact CE1-CD1 3.26Å; F43-I47 HydrophobicContact CE1-CG1 4.28Å; F43-I47 HydrophobicContact CG-CD1 4.49Å; F43-I47 HydrophobicContact CZ-CD1 3.8Å; F43-I47 HydrophobicContact CZ-CG1 4.48Å; F43-I47 WeakPolarHBondContact O-CG1 3.37Å; F43-I47 PolarHBondContact O-N 3.33Å |
| 44 | V | 91.3 | Very high | 87.5 | Confident | 42 Ų | 42 | 109.9 Ų | 109.9 | 26% | 0.255 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L36 Q40 K41 K46 I47 R48 | L36-V44 HydrophobicContact CD1-CG2 4.42Å; Q40-V44 WeakPolarHBondContact O-CG2 3.46Å; Q40-V44 PolarHBondContact O-N 3.03Å; Q40-V44 VanDerWaalsContact O-N 3.07Å; K41-V44 PolarHBondContact O-N 3.35Å; V44-K46 VanDerWaalsContact C-N 3.34Å; V44-K46 PolarHBondContact O-N 3.14Å; V44-I47 PolarHBondContact O-N 3.32Å; V44-R48 VanDerWaalsContact CG1-CZ 3.49Å; V44-R48 WeakPolarHBondContact O-CG 3.34Å; V44-R48 PolarHBondContact O-N 3.45Å |
| 45 | D | 93.8 | Very high | 88.7 | Confident | 62 Ų | 62 | 106.6 Ų | 106.6 | 33% | 0.332 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 178.4 | -71.5 | -16.2 | 0 | 0 | 0 | 111 | K41 L42 F43 R48 E49 | K41-D45 WeakPolarHBondContact CG-OD2 3.35Å; K41-D45 WeakPolarHBondContact O-CB 3.33Å; K41-D45 VanDerWaalsContact O-CG 3.25Å; K41-D45 PolarHBondContact O-N 2.95Å; L42-D45 PolarHBondContact O-N 3.26Å; F43-D45 VanDerWaalsContact C-N 3.33Å; F43-D45 PolarHBondContact O-N 3.04Å; D45-R48 PolarHBondContact O-N 2.96Å; D45-R48 IonicContact OD1-NH1 3.51Å; D45-E49 WeakPolarHBondContact O-CB 3.44Å; D45-E49 PolarHBondContact O-N 3.29Å |
| 46 | K | 95.3 | Very high | 89.2 | Confident | 123 Ų | 123 | 104 Ų | 104 | 54% | 0.535 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -36.7 | 173.9 | -70.7 | -64.3 | 172.2 | -166.5 | 0 | 113.6 | L42 F43 V44 R48 E49 Y50 | L42-K46 WeakPolarHBondContact O-CB 3.31Å; L42-K46 VanDerWaalsContact O-CG 3.31Å; L42-K46 WeakPolarHBondContact O-CG 3.48Å; L42-K46 PolarHBondContact O-N 3.18Å; F43-K46 PolarHBondContact O-N 2.97Å; V44-K46 VanDerWaalsContact C-N 3.34Å; V44-K46 PolarHBondContact O-N 3.14Å; K46-R48 VanDerWaalsContact C-N 3.34Å; K46-E49 WeakPolarHBondContact CD-OE2 3.44Å; K46-E49 IonicContact NZ-OE2 2.76Å; K46-E49 PolarHBondContact NZ-OE2 2.86Å; K46-E49 PolarHBondContact O-N 3.4Å; K46-Y50 WeakPolarHBondContact O-CB 3.3Å; K46-Y50 PolarHBondContact O-N 3.41Å |
| 47 | I | 95 | Very high | 89.6 | Confident | 90 Ų | 90 | 103.5 Ų | 103.5 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 172.2 | -71.5 | 169.9 | 0 | 0 | 0 | 110.8 | F43 V44 Y50 K51 | F43-I47 HydrophobicContact CD1-CD1 3.66Å; F43-I47 HydrophobicContact CE1-CD1 3.26Å; F43-I47 HydrophobicContact CE1-CG1 4.28Å; F43-I47 HydrophobicContact CG-CD1 4.49Å; F43-I47 HydrophobicContact CZ-CD1 3.8Å; F43-I47 HydrophobicContact CZ-CG1 4.48Å; F43-I47 WeakPolarHBondContact O-CG1 3.37Å; F43-I47 PolarHBondContact O-N 3.33Å; V44-I47 PolarHBondContact O-N 3.32Å; I47-Y50 PolarHBondContact O-N 3.24Å; I47-K51 WeakPolarHBondContact O-CB 3.47Å; I47-K51 PolarHBondContact O-N 3.29Å |
| 48 | R | 94.2 | Very high | 89.2 | Confident | 159 Ų | 159 | 104.3 Ų | 104.3 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.6 | -43.9 | 178.5 | -71.4 | 170.6 | 178.4 | 165.8 | -2.6 | 111.5 | V44 D45 K46 K51 S52 | V44-R48 VanDerWaalsContact CG1-CZ 3.49Å; V44-R48 WeakPolarHBondContact O-CG 3.34Å; V44-R48 PolarHBondContact O-N 3.45Å; D45-R48 PolarHBondContact O-N 2.96Å; D45-R48 IonicContact OD1-NH1 3.51Å; K46-R48 VanDerWaalsContact C-N 3.34Å; R48-K51 PolarHBondContact O-N 2.99Å; R48-S52 PolarHBondContact O-N 2.77Å |
| 49 | E | 93.1 | Very high | 89 | Confident | 77 Ų | 77 | 101.8 Ų | 101.8 | 36% | 0.36 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.7 | -50.5 | 175.3 | -169.5 | -167.9 | 150.5 | 0 | 0 | 110.7 | D45 K46 K51 S52 K53 | D45-E49 WeakPolarHBondContact O-CB 3.44Å; D45-E49 PolarHBondContact O-N 3.29Å; K46-E49 WeakPolarHBondContact CD-OE2 3.44Å; K46-E49 IonicContact NZ-OE2 2.76Å; K46-E49 PolarHBondContact NZ-OE2 2.86Å; K46-E49 PolarHBondContact O-N 3.4Å; E49-K51 PolarHBondContact O-N 3.05Å; E49-S52 PolarHBondContact O-N 3.31Å; E49-K53 HydrophobicContact CG-CD 4.39Å; E49-K53 WeakPolarHBondContact O-CG 3.43Å; E49-K53 PolarHBondContact O-N 3.48Å; E49-K53 IonicContact OE1-NZ 3.99Å; E49-K53 PolarHBondContact OE1-NZ 2.76Å |
| 50 | Y | 92.7 | Very high | 88.8 | Confident | 151 Ų | 151 | 100.1 Ų | 100.1 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.7 | -45.6 | 176.7 | 173.8 | -97.4 | 0 | 0 | 0 | 112.2 | K46 I47 S52 K53 R54 | K46-Y50 WeakPolarHBondContact O-CB 3.3Å; K46-Y50 PolarHBondContact O-N 3.41Å; I47-Y50 PolarHBondContact O-N 3.24Å; Y50-S52 VanDerWaalsContact C-N 3.31Å; Y50-S52 PolarHBondContact O-N 2.9Å; Y50-K53 PolarHBondContact O-N 3.49Å; Y50-R54 HydrophobicContact CE1-CB 4.44Å; Y50-R54 WeakPolarHBondContact O-CB 3.49Å; Y50-R54 PolarHBondContact O-N 3.28Å |
| 51 | K | 92.3 | Very high | 88.8 | Confident | 122 Ų | 122 | 98.6 Ų | 98.6 | 53% | 0.53 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 178.5 | -177.6 | -179.3 | 176.5 | -177.1 | 0 | 111.3 | I47 R48 E49 Q55 | I47-K51 WeakPolarHBondContact O-CB 3.47Å; I47-K51 PolarHBondContact O-N 3.29Å; R48-K51 PolarHBondContact O-N 2.99Å; E49-K51 PolarHBondContact O-N 3.05Å; K51-Q55 WeakPolarHBondContact O-CB 3.05Å; K51-Q55 VanDerWaalsContact O-CG 3.27Å; K51-Q55 WeakPolarHBondContact O-CG 3.34Å; K51-Q55 PolarHBondContact O-N 2.97Å |
| 52 | S | 91.1 | Very high | 88.5 | Confident | 66 Ų | 66 | 100 Ų | 100 | 46% | 0.462 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -49 | 177.1 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | R48 E49 Y50 R54 Q55 T56 | R48-S52 PolarHBondContact O-N 2.77Å; E49-S52 PolarHBondContact O-N 3.31Å; Y50-S52 VanDerWaalsContact C-N 3.31Å; Y50-S52 PolarHBondContact O-N 2.9Å; S52-R54 PolarHBondContact O-N 3.45Å; S52-Q55 PolarHBondContact O-N 2.85Å; S52-T56 WeakPolarHBondContact O-CB 3.31Å; S52-T56 PolarHBondContact O-N 3.29Å; S52-T56 PolarHBondContact O-OG1 3.49Å |
| 53 | K | 91.4 | Very high | 88.2 | Confident | 76 Ų | 76 | 97.9 Ų | 97.9 | 33% | 0.33 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 177.8 | -75.5 | 180 | 167.7 | 171.5 | 0 | 112.2 | E49 Y50 Q55 T56 S57 V61 D62 | E49-K53 HydrophobicContact CG-CD 4.39Å; E49-K53 WeakPolarHBondContact O-CG 3.43Å; E49-K53 PolarHBondContact O-N 3.48Å; E49-K53 IonicContact OE1-NZ 3.99Å; E49-K53 PolarHBondContact OE1-NZ 2.76Å; Y50-K53 PolarHBondContact O-N 3.49Å; K53-Q55 VanDerWaalsContact C-N 3.34Å; K53-Q55 PolarHBondContact O-N 2.93Å; K53-T56 PolarHBondContact O-N 2.99Å; K53-S57 PolarHBondContact O-N 3.29Å; K53-V61 HydrophobicContact CB-CG1 4.07Å; K53-V61 HydrophobicContact CB-CG2 4.32Å; K53-V61 HydrophobicContact CD-CG1 4.3Å; K53-V61 HydrophobicContact CG-CG1 3.99Å; K53-D62 IonicContact NZ-OD2 2.77Å |
| 54 | R | 87.8 | Confident | 87.8 | Confident | 174 Ų | 174 | 93.1 Ų | 93.1 | 66% | 0.657 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.3 | -38.5 | 177.3 | 177 | -177.6 | 172.5 | -169.4 | -0.2 | 113 | Y50 S52 | Y50-R54 HydrophobicContact CE1-CB 4.44Å; Y50-R54 WeakPolarHBondContact O-CB 3.49Å; Y50-R54 PolarHBondContact O-N 3.28Å; S52-R54 PolarHBondContact O-N 3.45Å |
| 55 | Q | 87.8 | Confident | 87.6 | Confident | 143 Ų | 143 | 96 Ų | 96 | 67% | 0.668 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -76.5 | -30.3 | -178.9 | -74.2 | 178.4 | -28.6 | 0 | 0 | 112.2 | K51 S52 K53 | K51-Q55 WeakPolarHBondContact O-CB 3.05Å; K51-Q55 VanDerWaalsContact O-CG 3.27Å; K51-Q55 WeakPolarHBondContact O-CG 3.34Å; K51-Q55 PolarHBondContact O-N 2.97Å; S52-Q55 PolarHBondContact O-N 2.85Å; K53-Q55 VanDerWaalsContact C-N 3.34Å; K53-Q55 PolarHBondContact O-N 2.93Å |
| 56 | T | 82.1 | Confident | 87.5 | Confident | 116 Ų | 116 | 100.4 Ų | 100.4 | 71% | 0.712 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -77.9 | -27.6 | -176.9 | -53.1 | 0 | 0 | 0 | 0 | 112.4 | S52 K53 | S52-T56 WeakPolarHBondContact O-CB 3.31Å; S52-T56 PolarHBondContact O-N 3.29Å; S52-T56 PolarHBondContact O-OG1 3.49Å; K53-T56 PolarHBondContact O-N 2.99Å |
| 57 | S | 76.8 | Confident | 87.3 | Confident | 38 Ų | 38 | 99.3 Ų | 99.3 | 27% | 0.266 | 54% | 0.537 | S | S | . | . | trans | -110.9 | 132.4 | -175.6 | 82.5 | 0 | 0 | 0 | 0 | 114.1 | K53 G59 V61 | K53-S57 PolarHBondContact O-N 3.29Å; S57-G59 VanDerWaalsContact C-N 3.25Å; S57-G59 WeakPolarHBondContact CB-O 3.43Å; S57-G59 PolarHBondContact OG-O 2.92Å; S57-V61 WeakPolarHBondContact OG-CG2 3.34Å | ||
| 58 | G | 76.6 | Confident | 87.1 | Confident | 99 Ų | 99 | 99.4 Ų | 99.4 | 100% | 1.021 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -89.2 | 11.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 59 | G | 81.9 | Confident | 87.1 | Confident | 41 Ų | 41 | 98.1 Ų | 98.1 | 42% | 0.423 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -166.3 | -162.6 | -172 | 0 | 0 | 0 | 0 | 0 | 111.3 | S57 V61 | S57-G59 VanDerWaalsContact C-N 3.25Å; S57-G59 WeakPolarHBondContact CB-O 3.43Å; S57-G59 PolarHBondContact OG-O 2.92Å; G59-V61 PolarHBondContact O-N 3.47Å |
| 60 | P | 84.9 | Confident | 87.1 | Confident | 72 Ų | 72 | 100.4 Ų | 100.4 | 47% | 0.468 | 55% | 0.547 | S | S | . | . | trans | -55.4 | 131.8 | 178.1 | -24.5 | 34.9 | 0 | 0 | 0 | 111.9 | T63 Y67 | P60-T63 HydrophobicContact CB-CG2 3.38Å; P60-Y67 HydrophobicContact CB-CE1 4.01Å; P60-Y67 HydrophobicContact CG-CD1 4.5Å; P60-Y67 HydrophobicContact CG-CE1 3.62Å | ||
| 61 | V | 85.9 | Confident | 87.2 | Confident | 55 Ų | 55 | 96.4 Ų | 96.4 | 33% | 0.333 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -88 | 139.1 | -178.5 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | K53 S57 G59 T63 | K53-V61 HydrophobicContact CB-CG1 4.07Å; K53-V61 HydrophobicContact CB-CG2 4.32Å; K53-V61 HydrophobicContact CD-CG1 4.3Å; K53-V61 HydrophobicContact CG-CG1 3.99Å; S57-V61 WeakPolarHBondContact OG-CG2 3.34Å; G59-V61 PolarHBondContact O-N 3.47Å; V61-T63 PolarHBondContact O-N 3.4Å; V61-T63 VanDerWaalsContact O-N 3.15Å |
| 62 | D | 81.6 | Confident | 87.2 | Confident | 140 Ų | 140 | 95.8 Ų | 95.8 | 75% | 0.749 | 53% | 0.534 | S | S | * | . | S | Bend | trans | 56.4 | 27.1 | 173 | -55.2 | -33.2 | 0 | 0 | 0 | 114.9 | K53 | K53-D62 IonicContact NZ-OD2 2.77Š|
| 63 | T | 84.6 | Confident | 87.4 | Confident | 66 Ų | 66 | 99.9 Ų | 99.9 | 41% | 0.405 | 54% | 0.543 | S | S | . | . | trans | -86.4 | 131.9 | -179.3 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | P60 V61 Y67 | P60-T63 HydrophobicContact CB-CG2 3.38Å; V61-T63 PolarHBondContact O-N 3.4Å; V61-T63 VanDerWaalsContact O-N 3.15Å; T63-Y67 HydrophobicContact CG2-CD1 3.92Å; T63-Y67 HydrophobicContact CG2-CD2 3.8Å; T63-Y67 HydrophobicContact CG2-CE1 4.4Å; T63-Y67 HydrophobicContact CG2-CE2 4.28Å; T63-Y67 HydrophobicContact CG2-CG 3.59Å | ||
| 64 | G | 84.6 | Confident | 87.6 | Confident | 44 Ų | 44 | 100.2 Ų | 100.2 | 45% | 0.454 | 55% | 0.546 | S | S | . | . | trans | -90.6 | -175.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E66 Y67 | G64-E66 PolarHBondContact O-N 3.24Å; G64-Y67 WeakPolarHBondContact O-CB 3.15Å; G64-Y67 PolarHBondContact O-N 2.84Å | ||
| 65 | P | 86.6 | Confident | 87.8 | Confident | 103 Ų | 103 | 95.8 Ų | 95.8 | 67% | 0.669 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.3 | -23 | 179.3 | 25.5 | -34.2 | 0 | 0 | 0 | 113.6 | Y67 Q68 Q69 | P65-Y67 VanDerWaalsContact C-N 3.32Å; P65-Y67 PolarHBondContact O-N 3.16Å; P65-Q68 PolarHBondContact O-N 3.2Å; P65-Q69 PolarHBondContact O-N 3.3Å |
| 66 | E | 90.6 | Very high | 88 | Confident | 154 Ų | 154 | 95.6 Ų | 95.6 | 72% | 0.72 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.1 | -38.5 | 176.7 | -64.5 | 172.4 | -177.6 | 0 | 0 | 112.4 | G64 Q68 Q69 E70 | G64-E66 PolarHBondContact O-N 3.24Å; E66-Q68 VanDerWaalsContact C-N 3.3Å; E66-Q68 PolarHBondContact O-N 2.98Å; E66-Q69 PolarHBondContact O-N 2.9Å; E66-E70 PolarHBondContact O-N 3.07Å |
| 67 | Y | 92 | Very high | 88.6 | Confident | 100 Ų | 100 | 95.5 Ų | 95.5 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 179.4 | 175.9 | -98.4 | 0 | 0 | 0 | 111.6 | P60 T63 G64 P65 E70 L71 | P60-Y67 HydrophobicContact CB-CE1 4.01Å; P60-Y67 HydrophobicContact CG-CD1 4.5Å; P60-Y67 HydrophobicContact CG-CE1 3.62Å; T63-Y67 HydrophobicContact CG2-CD1 3.92Å; T63-Y67 HydrophobicContact CG2-CD2 3.8Å; T63-Y67 HydrophobicContact CG2-CE1 4.4Å; T63-Y67 HydrophobicContact CG2-CE2 4.28Å; T63-Y67 HydrophobicContact CG2-CG 3.59Å; G64-Y67 WeakPolarHBondContact O-CB 3.15Å; G64-Y67 PolarHBondContact O-N 2.84Å; P65-Y67 VanDerWaalsContact C-N 3.32Å; P65-Y67 PolarHBondContact O-N 3.16Å; Y67-E70 PolarHBondContact O-N 3.34Å; Y67-L71 HydrophobicContact CE1-CD2 4.32Å; Y67-L71 VanDerWaalsContact O-CB 3.29Å; Y67-L71 WeakPolarHBondContact O-CB 3.16Å; Y67-L71 PolarHBondContact O-N 3.3Å |
| 68 | Q | 90.3 | Very high | 89.2 | Confident | 92 Ų | 92 | 97.6 Ų | 97.6 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | -179.6 | -173.6 | 60 | 29.2 | 0 | 0 | 111.4 | P65 E66 L71 E72 | P65-Q68 PolarHBondContact O-N 3.2Å; E66-Q68 VanDerWaalsContact C-N 3.3Å; E66-Q68 PolarHBondContact O-N 2.98Å; Q68-L71 PolarHBondContact O-N 3.11Å; Q68-E72 PolarHBondContact NE2-OE1 3.48Å; Q68-E72 WeakPolarHBondContact O-CB 3.48Å; Q68-E72 WeakPolarHBondContact O-CG 3.4Å; Q68-E72 PolarHBondContact O-N 3.37Å |
| 69 | Q | 93.7 | Very high | 89.8 | Confident | 132 Ų | 132 | 99.6 Ų | 99.6 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | 176.6 | -67.2 | 176.9 | 11 | 0 | 0 | 112 | P65 E66 E72 K73 | P65-Q69 PolarHBondContact O-N 3.3Å; E66-Q69 PolarHBondContact O-N 2.9Å; Q69-E72 PolarHBondContact O-N 2.99Å; Q69-K73 WeakPolarHBondContact O-CB 3.26Å; Q69-K73 PolarHBondContact O-N 3.06Å |
| 70 | E | 93.6 | Very high | 90.2 | Very high | 125 Ų | 125 | 103.9 Ų | 103.9 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66 | -42 | 177.1 | -171.9 | 170.7 | -154.9 | 0 | 0 | 111.4 | E66 Y67 E72 K73 E74 | E66-E70 PolarHBondContact O-N 3.07Å; Y67-E70 PolarHBondContact O-N 3.34Å; E70-E72 PolarHBondContact O-N 3.44Å; E70-K73 PolarHBondContact O-N 3.01Å; E70-E74 PolarHBondContact O-N 3.13Å |
| 71 | L | 94.2 | Very high | 90.5 | Very high | 66 Ų | 66 | 105.9 Ų | 105.9 | 35% | 0.346 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 175 | 179.8 | 63.3 | 0 | 0 | 0 | 111.7 | Y67 Q68 K73 E74 L75 | Y67-L71 HydrophobicContact CE1-CD2 4.32Å; Y67-L71 VanDerWaalsContact O-CB 3.29Å; Y67-L71 WeakPolarHBondContact O-CB 3.16Å; Y67-L71 PolarHBondContact O-N 3.3Å; Q68-L71 PolarHBondContact O-N 3.11Å; L71-K73 VanDerWaalsContact C-N 3.35Å; L71-E74 PolarHBondContact O-N 3.22Å; L71-L75 HydrophobicContact CD1-CD1 4.19Å; L71-L75 HydrophobicContact CD1-CG 4.36Å; L71-L75 HydrophobicContact CG-CD1 4.02Å; L71-L75 VanDerWaalsContact O-CB 3.32Å; L71-L75 WeakPolarHBondContact O-CB 3.17Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.3Å; L71-L75 PolarHBondContact O-N 2.88Å |
| 72 | E | 93.4 | Very high | 90.5 | Very high | 110 Ų | 110 | 110.3 Ų | 110.3 | 51% | 0.514 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 178.2 | -76.1 | 173.9 | -165.4 | 0 | 0 | 112.3 | Q68 Q69 E70 L75 F76 | Q68-E72 PolarHBondContact NE2-OE1 3.48Å; Q68-E72 WeakPolarHBondContact O-CB 3.48Å; Q68-E72 WeakPolarHBondContact O-CG 3.4Å; Q68-E72 PolarHBondContact O-N 3.37Å; Q69-E72 PolarHBondContact O-N 2.99Å; E70-E72 PolarHBondContact O-N 3.44Å; E72-L75 PolarHBondContact O-N 2.89Å; E72-F76 VanDerWaalsContact O-CB 3.3Å; E72-F76 WeakPolarHBondContact O-CB 3.44Å; E72-F76 PolarHBondContact O-N 3.27Å |
| 73 | K | 95.8 | Very high | 90.5 | Very high | 151 Ų | 151 | 105.2 Ų | 105.2 | 66% | 0.657 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63 | -46.5 | 176.1 | -177.4 | -175.8 | 174.9 | -171.8 | 0 | 111.8 | Q69 E70 L71 F76 K77 | Q69-K73 WeakPolarHBondContact O-CB 3.26Å; Q69-K73 PolarHBondContact O-N 3.06Å; E70-K73 PolarHBondContact O-N 3.01Å; L71-K73 VanDerWaalsContact C-N 3.35Å; K73-F76 PolarHBondContact O-N 3.38Å; K73-K77 PolarHBondContact O-N 3.26Å |
| 74 | E | 94.3 | Very high | 90.3 | Very high | 83 Ų | 83 | 111.5 Ų | 111.5 | 39% | 0.388 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 177.9 | -71 | -59.7 | 154.8 | 0 | 0 | 111.6 | E70 L71 F76 K77 L78 | E70-E74 PolarHBondContact O-N 3.13Å; L71-E74 PolarHBondContact O-N 3.22Å; E74-F76 VanDerWaalsContact C-N 3.31Å; E74-F76 PolarHBondContact O-N 2.88Å; E74-K77 WeakPolarHBondContact O-CB 3.3Å; E74-K77 PolarHBondContact O-N 3.37Å; E74-L78 WeakPolarHBondContact O-CG 3Å; E74-L78 PolarHBondContact O-N 3.37Å |
| 75 | L | 92.3 | Very high | 90.2 | Very high | 82 Ų | 82 | 112.5 Ų | 112.5 | 43% | 0.429 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 173 | -77.3 | 172.9 | 0 | 0 | 0 | 112.2 | L71 E72 L78 K79 | L71-L75 HydrophobicContact CD1-CD1 4.19Å; L71-L75 HydrophobicContact CD1-CG 4.36Å; L71-L75 HydrophobicContact CG-CD1 4.02Å; L71-L75 VanDerWaalsContact O-CB 3.32Å; L71-L75 WeakPolarHBondContact O-CB 3.17Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.3Å; L71-L75 PolarHBondContact O-N 2.88Å; E72-L75 PolarHBondContact O-N 2.89Å; L75-L78 HydrophobicContact CD2-CD1 4.49Å; L75-L78 PolarHBondContact O-N 2.72Å; L75-K79 WeakPolarHBondContact O-CG 3.29Å; L75-K79 PolarHBondContact O-N 2.94Å |
| 76 | F | 92.3 | Very high | 90.1 | Very high | 138 Ų | 138 | 111.6 Ų | 111.6 | 61% | 0.605 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.1 | -44.5 | 175.6 | 178.2 | -98.3 | 0 | 0 | 0 | 111.6 | E72 K73 E74 L78 K79 Q80 | E72-F76 VanDerWaalsContact O-CB 3.3Å; E72-F76 WeakPolarHBondContact O-CB 3.44Å; E72-F76 PolarHBondContact O-N 3.27Å; K73-F76 PolarHBondContact O-N 3.38Å; E74-F76 VanDerWaalsContact C-N 3.31Å; E74-F76 PolarHBondContact O-N 2.88Å; F76-L78 VanDerWaalsContact C-N 3.33Å; F76-L78 PolarHBondContact O-N 3.23Å; F76-K79 PolarHBondContact O-N 2.71Å; F76-Q80 PolarHBondContact O-N 2.87Å |
| 77 | K | 93.7 | Very high | 89.7 | Confident | 115 Ų | 115 | 110.7 Ų | 110.7 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 175 | -178.1 | -178.3 | 174 | -170.5 | 0 | 111.5 | K73 E74 K79 Q80 M81 | K73-K77 PolarHBondContact O-N 3.26Å; E74-K77 WeakPolarHBondContact O-CB 3.3Å; E74-K77 PolarHBondContact O-N 3.37Å; K77-K79 PolarHBondContact O-N 3.33Å; K77-Q80 PolarHBondContact O-N 3.5Å; K77-M81 WeakPolarHBondContact O-CG 3.08Å; K77-M81 PolarHBondContact O-N 2.99Å |
| 78 | L | 91.2 | Very high | 89.5 | Confident | 81 Ų | 81 | 113 Ų | 113 | 42% | 0.424 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.4 | -46.7 | 175.5 | -73.2 | 169.1 | 0 | 0 | 0 | 111.8 | E74 L75 F76 Q80 M81 F82 | E74-L78 WeakPolarHBondContact O-CG 3Å; E74-L78 PolarHBondContact O-N 3.37Å; L75-L78 HydrophobicContact CD2-CD1 4.49Å; L75-L78 PolarHBondContact O-N 2.72Å; F76-L78 VanDerWaalsContact C-N 3.33Å; F76-L78 PolarHBondContact O-N 3.23Å; L78-Q80 VanDerWaalsContact C-N 3.26Å; L78-Q80 PolarHBondContact O-N 3.17Å; L78-M81 HydrophobicContact CD2-CE 4.04Å; L78-M81 PolarHBondContact O-N 2.99Å; L78-F82 HydrophobicContact CD2-CD2 4.26Å; L78-F82 HydrophobicContact CD2-CE2 3.88Å; L78-F82 WeakPolarHBondContact O-CD2 3.47Å; L78-F82 PolarHBondContact O-N 3.42Å |
| 79 | K | 88.9 | Confident | 89.4 | Confident | 141 Ų | 141 | 112.8 Ų | 112.8 | 61% | 0.613 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.4 | -35 | 176.1 | -73.3 | 176.2 | -179.8 | -179.4 | 0 | 112.7 | L75 F76 K77 G83 | L75-K79 WeakPolarHBondContact O-CG 3.29Å; L75-K79 PolarHBondContact O-N 2.94Å; F76-K79 PolarHBondContact O-N 2.71Å; K77-K79 PolarHBondContact O-N 3.33Å; K79-G83 CarbonylContact O-C 3.46Å; K79-G83 VanDerWaalsContact O-C 3.26Å; K79-G83 WeakPolarHBondContact O-CA 3.15Å; K79-G83 PolarHBondContact O-N 3.49Å; K79-G83 VanDerWaalsContact O-O 3.13Å |
| 80 | Q | 90.2 | Very high | 89 | Confident | 131 Ų | 131 | 114.6 Ų | 114.6 | 61% | 0.612 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.9 | -38.6 | 177 | -171.5 | 63.4 | 25.4 | 0 | 0 | 112 | F76 K77 L78 | F76-Q80 PolarHBondContact O-N 2.87Å; K77-Q80 PolarHBondContact O-N 3.5Å; L78-Q80 VanDerWaalsContact C-N 3.26Å; L78-Q80 PolarHBondContact O-N 3.17Å |
| 81 | M | 91.1 | Very high | 88.8 | Confident | 115 Ų | 115 | 112.1 Ų | 112.1 | 57% | 0.567 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.7 | -43.1 | 179.9 | -65.9 | -172.4 | -27 | 0 | 0 | 112.9 | K77 L78 | K77-M81 WeakPolarHBondContact O-CG 3.08Å; K77-M81 PolarHBondContact O-N 2.99Å; L78-M81 HydrophobicContact CD2-CE 4.04Å; L78-M81 PolarHBondContact O-N 2.99Å |
| 82 | F | 86.6 | Confident | 88.5 | Confident | 148 Ų | 148 | 115 Ų | 115 | 65% | 0.649 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -96.1 | -0.7 | -173.4 | -66.3 | -74.3 | 0 | 0 | 0 | 113.7 | L78 | L78-F82 HydrophobicContact CD2-CD2 4.26Å; L78-F82 HydrophobicContact CD2-CE2 3.88Å; L78-F82 WeakPolarHBondContact O-CD2 3.47Å; L78-F82 PolarHBondContact O-N 3.42Å |
| 83 | G | 81.4 | Confident | 88.1 | Confident | 32 Ų | 32 | 115.9 Ų | 115.9 | 33% | 0.33 | 58% | 0.58 | S | S | . | * | trans | 83.8 | 170.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K79 A85 | K79-G83 CarbonylContact O-C 3.46Å; K79-G83 VanDerWaalsContact O-C 3.26Å; K79-G83 WeakPolarHBondContact O-CA 3.15Å; K79-G83 PolarHBondContact O-N 3.49Å; K79-G83 VanDerWaalsContact O-O 3.13Å; G83-A85 PolarHBondContact O-N 3.39Å | ||
| 84 | K | 80.6 | Confident | 87.6 | Confident | 198 Ų | 198 | 118.3 Ų | 118.3 | 86% | 0.861 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -88.1 | 24 | -174.6 | -59.2 | -177.2 | -178.9 | 179.6 | 0 | 113.6 | ||
| 85 | A | 80.8 | Confident | 87.1 | Confident | 66 Ų | 66 | 120.8 Ų | 120.8 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | trans | -71.1 | 152.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G83 M87 | G83-A85 PolarHBondContact O-N 3.39Å; A85-M87 HydrophobicContact CB-CE 4.16Å; A85-M87 WeakPolarHBondContact O-CE 3.24Å; A85-M87 PolarHBondContact O-N 3.28Å | ||
| 86 | D | 84.3 | Confident | 86.8 | Confident | 83 Ų | 83 | 123.6 Ų | 123.6 | 44% | 0.444 | 61% | 0.611 | S | S | . | * | trans | -69.7 | 123 | 168.3 | 179.7 | 14.7 | 0 | 0 | 0 | 109.1 | N88 T89 | D86-N88 PolarHBondContact O-N 2.88Å; D86-N88 WeakPolarHBondContact OD1-CB 3.45Å; D86-N88 PolarHBondContact OD1-N 2.91Å; D86-N88 PolarHBondContact OD1-ND2 3.46Å; D86-T89 WeakPolarHBondContact OD2-CG2 3.34Å; D86-T89 PolarHBondContact OD2-OG1 3.35Å | ||
| 87 | M | 83.1 | Confident | 86.1 | Confident | 135 Ų | 135 | 123.8 Ų | 123.8 | 67% | 0.665 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -11.5 | -178.5 | -60.6 | -67.9 | 131.1 | 0 | 0 | 112.4 | A85 | A85-M87 HydrophobicContact CB-CE 4.16Å; A85-M87 WeakPolarHBondContact O-CE 3.24Å; A85-M87 PolarHBondContact O-N 3.28Å |
| 88 | N | 88.1 | Confident | 85.3 | Confident | 149 Ų | 149 | 123.6 Ų | 123.6 | 80% | 0.797 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -13.7 | 179.5 | -56.3 | -66.5 | 0 | 0 | 0 | 113 | D86 | D86-N88 PolarHBondContact O-N 2.88Å; D86-N88 WeakPolarHBondContact OD1-CB 3.45Å; D86-N88 PolarHBondContact OD1-N 2.91Å; D86-N88 PolarHBondContact OD1-ND2 3.46Å |
| 89 | T | 86.9 | Confident | 84.6 | Confident | 87 Ų | 87 | 125.3 Ų | 125.3 | 53% | 0.534 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -120.9 | 134.8 | -176.9 | 59.6 | 0 | 0 | 0 | 0 | 111.1 | D86 | D86-T89 WeakPolarHBondContact OD2-CG2 3.34Å; D86-T89 PolarHBondContact OD2-OG1 3.35Å |
| 90 | F | 87.1 | Confident | 84 | Confident | 171 Ų | 171 | 120.9 Ų | 120.9 | 75% | 0.75 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 136.3 | 173.8 | -168.8 | -98.4 | 0 | 0 | 0 | 110.5 | F93 | F90-F93 HydrophobicContact CE1-CD2 4.38Å; F90-F93 AromaticContact CE1-CE2 3.72Å; F90-F93 HydrophobicContact CE1-CE2 3.72Å; F90-F93 AromaticContact CZ-CE2 3.88Å; F90-F93 HydrophobicContact CZ-CE2 3.88Å |
| 91 | P | 89 | Confident | 83.2 | Confident | 72 Ų | 72 | 120.4 Ų | 120.4 | 47% | 0.468 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -66.5 | 143.6 | -177.7 | 26.7 | -35 | 0 | 0 | 0 | 112 | F93 | P91-F93 HydrophobicContact CB-CZ 4.45Å; P91-F93 HydrophobicContact CG-CE2 3.95Å; P91-F93 HydrophobicContact CG-CZ 3.76Å |
| 92 | T | 87.1 | Confident | 82.4 | Confident | 127 Ų | 127 | 119.8 Ų | 119.8 | 78% | 0.779 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 120.9 | 167.1 | -57 | 0 | 0 | 0 | 0 | 109 | ||
| 93 | F | 86.2 | Confident | 81.7 | Confident | 129 Ų | 129 | 117.5 Ų | 117.5 | 57% | 0.566 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 127.5 | 177.6 | -62.9 | -84.3 | 0 | 0 | 0 | 110.4 | F90 P91 F95 | F90-F93 HydrophobicContact CE1-CD2 4.38Å; F90-F93 AromaticContact CE1-CE2 3.72Å; F90-F93 HydrophobicContact CE1-CE2 3.72Å; F90-F93 AromaticContact CZ-CE2 3.88Å; F90-F93 HydrophobicContact CZ-CE2 3.88Å; P91-F93 HydrophobicContact CB-CZ 4.45Å; P91-F93 HydrophobicContact CG-CE2 3.95Å; P91-F93 HydrophobicContact CG-CZ 3.76Å; F93-F95 HydrophobicContact CB-CE2 3.96Å; F93-F95 HydrophobicContact CB-CZ 3.87Å |
| 94 | K | 85 | Confident | 81.4 | Confident | 201 Ų | 201 | 124.9 Ų | 124.9 | 87% | 0.874 | 61% | 0.611 | S | S | * | * | trans | -109.7 | 118.6 | 166.8 | -66.4 | -173.7 | -179.1 | -177.5 | 0 | 107.6 | ||||
| 95 | F | 83.8 | Confident | 81.2 | Confident | 135 Ų | 135 | 119.5 Ų | 119.5 | 59% | 0.592 | 60% | 0.598 | S | S | * | * | trans | -90 | 141.1 | 178.7 | -60.4 | -80 | 0 | 0 | 0 | 109.8 | F93 | F93-F95 HydrophobicContact CB-CE2 3.96Å; F93-F95 HydrophobicContact CB-CZ 3.87Å | ||
| 96 | E | 85.6 | Confident | 80.8 | Confident | 142 Ų | 142 | 125.6 Ų | 125.6 | 66% | 0.664 | 61% | 0.607 | S | S | * | * | trans | -66.5 | 153.4 | 173.4 | -151.1 | 117.5 | -152.6 | 0 | 0 | 110.4 | H98 F99 S100 | E96-H98 VanDerWaalsContact C-N 3.31Å; E96-H98 WeakPolarHBondContact CG-ND1 3.35Å; E96-H98 PolarHBondContact O-N 3.48Å; E96-F99 PolarHBondContact O-N 3.33Å; E96-F99 VanDerWaalsContact O-N 3.13Å; E96-S100 PolarHBondContact O-N 3.34Å; E96-S100 VanDerWaalsContact O-N 3.07Å; E96-S100 PolarHBondContact O-OG 3.16Å; E96-S100 VanDerWaalsContact O-OG 3.14Å | ||
| 97 | E | 77.7 | Confident | 80.3 | Confident | 142 Ų | 142 | 128.3 Ų | 128.3 | 66% | 0.664 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.6 | -36.6 | -168.8 | -170.6 | 165.6 | -173.6 | 0 | 0 | 112.9 | F99 S100 Q101 | E97-F99 PolarHBondContact O-N 3.35Å; E97-S100 WeakPolarHBondContact O-CB 3.48Å; E97-S100 PolarHBondContact O-N 3.44Å; E97-Q101 WeakPolarHBondContact O-CG 3.44Å; E97-Q101 PolarHBondContact O-N 2.84Å |
| 98 | H | 77.6 | Confident | 79.5 | Confident | 110 Ų | 110 | 125.8 Ų | 125.8 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.7 | -38.1 | 177.1 | 68 | -85.2 | 0 | 0 | 0 | 113 | E96 H102 | E96-H98 VanDerWaalsContact C-N 3.31Å; E96-H98 WeakPolarHBondContact CG-ND1 3.35Å; E96-H98 PolarHBondContact O-N 3.48Å; H98-H102 PolarHBondContact O-N 2.97Å; H98-H102 VanDerWaalsContact O-N 3.11Å |
| 99 | F | 76.4 | Confident | 78.5 | Confident | 118 Ų | 118 | 122.2 Ų | 122.2 | 52% | 0.518 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.6 | -38.9 | 173.5 | -96 | -78.6 | 0 | 0 | 0 | 111.5 | E96 E97 Q101 H102 L103 | E96-F99 PolarHBondContact O-N 3.33Å; E96-F99 VanDerWaalsContact O-N 3.13Å; E97-F99 PolarHBondContact O-N 3.35Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; F99-Q101 PolarHBondContact O-N 3.25Å; F99-H102 PolarHBondContact O-N 3.11Å; F99-L103 WeakPolarHBondContact O-CG 3.39Å; F99-L103 PolarHBondContact O-N 2.8Å |
| 100 | S | 74.8 | Confident | 77.4 | Confident | 47 Ų | 47 | 128.1 Ų | 128.1 | 33% | 0.329 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.4 | -38.3 | 178.2 | -57.5 | 0 | 0 | 0 | 0 | 112 | E96 E97 R104 | E96-S100 PolarHBondContact O-N 3.34Å; E96-S100 VanDerWaalsContact O-N 3.07Å; E96-S100 PolarHBondContact O-OG 3.16Å; E96-S100 VanDerWaalsContact O-OG 3.14Å; E97-S100 WeakPolarHBondContact O-CB 3.48Å; E97-S100 PolarHBondContact O-N 3.44Å; S100-R104 WeakPolarHBondContact O-CB 3.19Å; S100-R104 PolarHBondContact O-N 2.85Å; S100-R104 VanDerWaalsContact O-N 3.07Å |
| 101 | Q | 73.1 | Confident | 76.3 | Confident | 122 Ų | 122 | 125.8 Ų | 125.8 | 57% | 0.57 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.4 | -43 | 174.2 | -71.9 | 174.8 | 7.9 | 0 | 0 | 111.7 | E97 F99 R104 S105 | E97-Q101 WeakPolarHBondContact O-CG 3.44Å; E97-Q101 PolarHBondContact O-N 2.84Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; F99-Q101 PolarHBondContact O-N 3.25Å; Q101-R104 PolarHBondContact O-N 3.23Å; Q101-S105 PolarHBondContact O-N 3.33Å; Q101-S105 VanDerWaalsContact O-N 3.08Å |
| 102 | H | 75.2 | Confident | 75 | Confident | 102 Ų | 102 | 126.3 Ų | 126.3 | 47% | 0.472 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.4 | -45.3 | 176.4 | -171.9 | 63.4 | 0 | 0 | 0 | 111.9 | H98 F99 R104 S105 W106 | H98-H102 PolarHBondContact O-N 2.97Å; H98-H102 VanDerWaalsContact O-N 3.11Å; F99-H102 PolarHBondContact O-N 3.11Å; H102-R104 VanDerWaalsContact C-N 3.32Å; H102-R104 PolarHBondContact O-N 3.26Å; H102-S105 WeakPolarHBondContact O-CB 3.43Å; H102-S105 PolarHBondContact O-N 3.23Å; H102-S105 VanDerWaalsContact O-N 3.09Å; H102-S105 PolarHBondContact O-OG 2.92Å; H102-W106 AromaticContact CD2-NE1 3.92Å; H102-W106 AromaticContact CE1-NE1 3.33Å; H102-W106 PolarHBondContact CE1-NE1 3.3Å; H102-W106 VanDerWaalsContact CE1-NE1 3.33Å; H102-W106 AromaticContact NE2-CD1 3.8Å; H102-W106 AromaticContact NE2-NE1 3.14Å; H102-W106 PolarHBondContact NE2-NE1 3.02Å; H102-W106 VanDerWaalsContact NE2-NE1 3.14Å; H102-W106 VanDerWaalsContact O-CD1 3.29Å |
| 103 | L | 72.4 | Confident | 73.7 | Confident | 99 Ų | 99 | 125.5 Ų | 125.5 | 52% | 0.518 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.9 | -38.1 | 177.2 | -71 | 171 | 0 | 0 | 0 | 112.5 | F99 S105 W106 | F99-L103 WeakPolarHBondContact O-CG 3.39Å; F99-L103 PolarHBondContact O-N 2.8Å; L103-S105 PolarHBondContact O-N 2.9Å; L103-W106 PolarHBondContact O-N 2.9Å |
| 104 | R | 73.9 | Confident | 72.3 | Confident | 187 Ų | 187 | 124.3 Ų | 124.3 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.5 | -30.3 | 174.9 | -168.7 | 179.7 | -65.4 | -154.7 | 0.1 | 112.4 | S100 Q101 H102 W106 Q107 | S100-R104 WeakPolarHBondContact O-CB 3.19Å; S100-R104 PolarHBondContact O-N 2.85Å; S100-R104 VanDerWaalsContact O-N 3.07Å; Q101-R104 PolarHBondContact O-N 3.23Å; H102-R104 VanDerWaalsContact C-N 3.32Å; H102-R104 PolarHBondContact O-N 3.26Å; R104-W106 VanDerWaalsContact C-N 3.25Å; R104-W106 PolarHBondContact O-N 2.89Å; R104-Q107 WeakPolarHBondContact O-CB 3.14Å; R104-Q107 PolarHBondContact O-N 3.45Å |
| 105 | S | 76.5 | Confident | 71 | Confident | 85 Ų | 85 | 120.4 Ų | 120.4 | 59% | 0.594 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70 | -21.1 | 177.7 | 77.1 | 0 | 0 | 0 | 0 | 113.9 | Q101 H102 L103 | Q101-S105 PolarHBondContact O-N 3.33Å; Q101-S105 VanDerWaalsContact O-N 3.08Å; H102-S105 WeakPolarHBondContact O-CB 3.43Å; H102-S105 PolarHBondContact O-N 3.23Å; H102-S105 VanDerWaalsContact O-N 3.09Å; H102-S105 PolarHBondContact O-OG 2.92Å; L103-S105 PolarHBondContact O-N 2.9Å |
| 106 | W | 72.5 | Confident | 69.8 | Low | 194 Ų | 194 | 120.2 Ų | 120.2 | 74% | 0.735 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -5.3 | 173.8 | -72 | 97.7 | 0 | 0 | 0 | 113.4 | H102 L103 R104 | H102-W106 AromaticContact CD2-NE1 3.92Å; H102-W106 AromaticContact CE1-NE1 3.33Å; H102-W106 PolarHBondContact CE1-NE1 3.3Å; H102-W106 VanDerWaalsContact CE1-NE1 3.33Å; H102-W106 AromaticContact NE2-CD1 3.8Å; H102-W106 AromaticContact NE2-NE1 3.14Å; H102-W106 PolarHBondContact NE2-NE1 3.02Å; H102-W106 VanDerWaalsContact NE2-NE1 3.14Å; H102-W106 VanDerWaalsContact O-CD1 3.29Å; L103-W106 PolarHBondContact O-N 2.9Å; R104-W106 VanDerWaalsContact C-N 3.25Å; R104-W106 PolarHBondContact O-N 2.89Å |
| 107 | Q | 73.6 | Confident | 68.3 | Low | 141 Ų | 141 | 120.5 Ų | 120.5 | 66% | 0.659 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -77 | 125.4 | 173.1 | -108.6 | 173.2 | -47.7 | 0 | 0 | 108.9 | R104 S109 | R104-Q107 WeakPolarHBondContact O-CB 3.14Å; R104-Q107 PolarHBondContact O-N 3.45Å; Q107-S109 PolarHBondContact O-N 3.22Å |
| 108 | P | 66.3 | Low | 67 | Low | 82 Ų | 82 | 120 Ų | 120 | 53% | 0.532 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -54.5 | 141 | 173.9 | -21.6 | 31.6 | 0 | 0 | 0 | 110.1 | R110 | P108-R110 PolarHBondContact O-N 3.42Š|
| 109 | S | 67.6 | Low | 65.7 | Low | 74 Ų | 74 | 122.8 Ų | 122.8 | 52% | 0.517 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 140 | 171.3 | -76.5 | 0 | 0 | 0 | 0 | 108.3 | Q107 D111 D112 | Q107-S109 PolarHBondContact O-N 3.22Å; S109-D111 PolarHBondContact O-N 2.96Å; S109-D112 WeakPolarHBondContact O-CB 3.27Å; S109-D112 PolarHBondContact O-N 3.43Å |
| 110 | R | 64.1 | Low | 65.1 | Low | 210 Ų | 210 | 123.1 Ų | 123.1 | 79% | 0.792 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -54.8 | -21 | 179.4 | -90 | -172.6 | -86.7 | 162.6 | -6.5 | 113.4 | P108 D112 | P108-R110 PolarHBondContact O-N 3.42Å; R110-D112 VanDerWaalsContact C-N 3.31Å |
| 111 | D | 63.9 | Low | 64.6 | Low | 122 Ų | 122 | 127.1 Ų | 127.1 | 65% | 0.652 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.5 | -26.8 | 176.6 | -54.1 | -32 | 0 | 0 | 0 | 112.5 | S109 | S109-D111 PolarHBondContact O-N 2.96Å |
| 112 | D | 61.2 | Low | 64.1 | Low | 83 Ų | 83 | 127.3 Ų | 127.3 | 44% | 0.444 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -82.8 | -27.2 | -179.8 | -58.3 | -35.8 | 0 | 0 | 0 | 112.4 | S109 R110 L115 | S109-D112 WeakPolarHBondContact O-CB 3.27Å; S109-D112 PolarHBondContact O-N 3.43Å; R110-D112 VanDerWaalsContact C-N 3.31Å; D112-L115 PolarHBondContact O-N 2.83Å |
| 113 | E | 59.6 | Low | 63.5 | Low | 111 Ų | 111 | 128.8 Ų | 128.8 | 52% | 0.519 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -68.5 | -32.6 | 176.3 | -75 | -175.9 | 164.3 | 0 | 0 | 112.5 | L115 I116 | E113-L115 VanDerWaalsContact C-N 3.29Å; E113-L115 PolarHBondContact O-N 3Å; E113-I116 PolarHBondContact O-N 3.32Å |
| 114 | I | 57.9 | Low | 62.9 | Low | 103 Ų | 103 | 130.7 Ų | 130.7 | 53% | 0.528 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -69.9 | -28 | -179.7 | -59 | 177.9 | 0 | 0 | 0 | 111.3 | N118 | I114-N118 PolarHBondContact O-ND2 3.06Å |
| 115 | L | 57.6 | Low | 62.2 | Low | 119 Ų | 119 | 126.9 Ų | 126.9 | 62% | 0.623 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76.5 | -30.3 | 179.6 | -66.6 | 172.9 | 0 | 0 | 0 | 112.6 | D112 E113 S119 | D112-L115 PolarHBondContact O-N 2.83Å; E113-L115 VanDerWaalsContact C-N 3.29Å; E113-L115 PolarHBondContact O-N 3Å; L115-S119 PolarHBondContact O-OG 3.13Å |
| 116 | I | 58.3 | Low | 61.2 | Low | 131 Ų | 131 | 129.9 Ų | 129.9 | 67% | 0.672 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -77 | -31 | -178.3 | -60.2 | 169.5 | 0 | 0 | 0 | 111.6 | E113 N118 | E113-I116 PolarHBondContact O-N 3.32Å; I116-N118 VanDerWaalsContact C-N 3.34Å |
| 117 | L | 54.2 | Low | 60.3 | Low | 148 Ų | 148 | 125 Ų | 125 | 78% | 0.775 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -8.2 | -179.4 | -66.8 | 174.5 | 0 | 0 | 0 | 114.3 | ||
| 118 | N | 49.9 | Very low | 59.2 | Low | 131 Ų | 131 | 123.7 Ų | 123.7 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 12.1 | -178.8 | -70.2 | -50.9 | 0 | 0 | 0 | 113.5 | I114 I116 | I114-N118 PolarHBondContact O-ND2 3.06Å; I116-N118 VanDerWaalsContact C-N 3.34Å |
| 119 | S | 50 | Low | 58.6 | Low | 170 Ų | 170 | 127.5 Ų | 127.5 | 100% | 1.189 | 67% | 0.674 | S | S | * | * | trans | -105.5 | 0 | 173.8 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | L115 | L115-S119 PolarHBondContact O-OG 3.13Š|
Retrieved 119 of 119 residues in 38.4 ms
(Link to these results)