| 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 | 44.3 | Very low | 49.8 | Very low | 226 Ų | 226 | 106.7 Ų | 106.7 | 100% | 1.113 | 56% | 0.564 | S | S | * | * | 0 | -53.9 | 0 | -71.5 | 175.6 | 171.2 | 0 | 0 | 113.3 | S3 | M1-S3 PolarHBondContact O-N 3.26Š| |||
| 2 | A | 38.4 | Very low | 50 | Low | 83 Ų | 83 | 106.3 Ų | 106.3 | 69% | 0.686 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.5 | -25.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | K6 | A2-K6 PolarHBondContact O-N 3.15Å |
| 3 | S | 47.6 | Very low | 50.5 | Low | 77 Ų | 77 | 108.5 Ų | 108.5 | 54% | 0.538 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -76 | -31.6 | -177.7 | 172.8 | 0 | 0 | 0 | 0 | 113.8 | M1 R7 | M1-S3 PolarHBondContact O-N 3.26Å; S3-R7 PolarHBondContact O-N 3.33Å |
| 4 | S | 46.9 | Very low | 50.7 | Low | 61 Ų | 61 | 109.9 Ų | 109.9 | 43% | 0.427 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -74.7 | -38.9 | -179 | -134.3 | 0 | 0 | 0 | 0 | 111.1 | R7 K8 | S4-R7 PolarHBondContact O-N 3.45Å; S4-K8 PolarHBondContact O-N 2.61Å |
| 5 | S | 50.9 | Low | 50.8 | Low | 80 Ų | 80 | 104.2 Ų | 104.2 | 56% | 0.559 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65 | -41.5 | 177.5 | -147.4 | 0 | 0 | 0 | 0 | 112.4 | R7 K8 E9 | S5-R7 VanDerWaalsContact C-N 3.34Å; S5-R7 PolarHBondContact O-N 3.15Å; S5-K8 PolarHBondContact O-N 2.69Å; S5-E9 PolarHBondContact O-N 3.14Å; S5-E9 VanDerWaalsContact O-N 3.12Å |
| 6 | K | 50.5 | Low | 50.9 | Low | 150 Ų | 150 | 102.2 Ų | 102.2 | 65% | 0.652 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.7 | -38 | 173.9 | -89.1 | -171.2 | 172 | -171.9 | 0 | 112.9 | A2 E9 E10 | A2-K6 PolarHBondContact O-N 3.15Å; K6-E9 PolarHBondContact O-N 3.12Å; K6-E10 PolarHBondContact O-N 3.01Å |
| 7 | R | 55.1 | Low | 51 | Low | 131 Ų | 131 | 101.1 Ų | 101.1 | 49% | 0.494 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.5 | -39.7 | 179 | -152.1 | -177.7 | -64.6 | -178.8 | 1.5 | 111 | S3 S4 S5 S11 | S3-R7 PolarHBondContact O-N 3.33Å; S4-R7 PolarHBondContact O-N 3.45Å; S5-R7 VanDerWaalsContact C-N 3.34Å; S5-R7 PolarHBondContact O-N 3.15Å; R7-S11 WeakPolarHBondContact O-CB 3.32Å; R7-S11 PolarHBondContact O-N 2.88Å; R7-S11 PolarHBondContact O-OG 3.41Å |
| 8 | K | 52.6 | Low | 51 | Low | 77 Ų | 77 | 100.2 Ų | 100.2 | 34% | 0.335 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.1 | -43.3 | 171.9 | -78.4 | -174.3 | 178.9 | -177.8 | 0 | 112.2 | S4 S5 S11 H12 V32 E94 | S4-K8 PolarHBondContact O-N 2.61Å; S5-K8 PolarHBondContact O-N 2.69Å; K8-S11 PolarHBondContact O-N 3.48Å; K8-H12 WeakPolarHBondContact O-CB 3.07Å; K8-H12 PolarHBondContact O-N 3.01Å; K8-V32 HydrophobicContact CG-CG2 4.48Å; K8-E94 IonicContact NZ-OE1 3.99Å; K8-E94 PolarHBondContact NZ-OE1 3.44Å; K8-E94 IonicContact NZ-OE2 2.69Å; K8-E94 PolarHBondContact NZ-OE2 3.45Å |
| 9 | E | 54.5 | Low | 51.1 | Low | 133 Ų | 133 | 106.5 Ų | 106.5 | 62% | 0.621 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.1 | -42.4 | -178.3 | -154.2 | 172.4 | -163.1 | 0 | 0 | 112.7 | S5 K6 H12 L13 | S5-E9 PolarHBondContact O-N 3.14Å; S5-E9 VanDerWaalsContact O-N 3.12Å; K6-E9 PolarHBondContact O-N 3.12Å; E9-H12 WeakPolarHBondContact O-CB 3.41Å; E9-H12 PolarHBondContact O-N 3.31Å; E9-L13 PolarHBondContact O-N 3.4Å |
| 10 | E | 54.5 | Low | 51.4 | Low | 133 Ų | 133 | 105 Ų | 105 | 62% | 0.621 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.8 | -40.2 | 171.6 | -89.2 | -177.7 | 142.1 | 0 | 0 | 112.3 | K6 H12 L13 L14 | K6-E10 PolarHBondContact O-N 3.01Å; E10-H12 VanDerWaalsContact C-N 3.35Å; E10-L13 PolarHBondContact O-N 2.6Å; E10-L14 VanDerWaalsContact O-CG 3.3Å; E10-L14 WeakPolarHBondContact O-CG 3.29Å; E10-L14 PolarHBondContact O-N 3.01Å; E10-L14 VanDerWaalsContact O-N 3.08Å |
| 11 | S | 52.8 | Low | 52 | Low | 23 Ų | 23 | 103.6 Ų | 103.6 | 16% | 0.161 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -66.9 | -36.6 | 178 | -52.2 | 0 | 0 | 0 | 0 | 112.1 | R7 K8 L14 N15 | R7-S11 WeakPolarHBondContact O-CB 3.32Å; R7-S11 PolarHBondContact O-N 2.88Å; R7-S11 PolarHBondContact O-OG 3.41Å; K8-S11 PolarHBondContact O-N 3.48Å; S11-L14 PolarHBondContact O-N 3.05Å; S11-N15 WeakPolarHBondContact O-CB 3.42Å; S11-N15 PolarHBondContact O-N 3.25Å |
| 12 | H | 51.4 | Low | 53.1 | Low | 102 Ų | 102 | 95.1 Ų | 95.1 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 175.1 | -133.8 | -81.2 | 0 | 0 | 0 | 111.5 | K8 E9 E10 G16 E34 | K8-H12 WeakPolarHBondContact O-CB 3.07Å; K8-H12 PolarHBondContact O-N 3.01Å; E9-H12 WeakPolarHBondContact O-CB 3.41Å; E9-H12 PolarHBondContact O-N 3.31Å; E10-H12 VanDerWaalsContact C-N 3.35Å; H12-G16 PolarHBondContact O-N 2.85Å; H12-E34 IonicContact CD2-OE1 2.61Å; H12-E34 IonicContact CE1-OE1 2.89Å; H12-E34 PolarHBondContact CE1-OE1 3.44Å; H12-E34 IonicContact ND1-OE1 3.36Å; H12-E34 PolarHBondContact ND1-OE1 3.16Å; H12-E34 IonicContact NE2-OE1 3.36Å; H12-E34 PolarHBondContact NE2-OE1 3.09Å |
| 13 | L | 56.7 | Low | 54.4 | Low | 134 Ų | 134 | 95.9 Ų | 95.9 | 70% | 0.702 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.1 | -35.3 | 177.6 | -73.7 | 166.4 | 0 | 0 | 0 | 112.3 | E9 E10 | E9-L13 PolarHBondContact O-N 3.4Å; E10-L13 PolarHBondContact O-N 2.6Å |
| 14 | L | 53.7 | Low | 55.1 | Low | 129 Ų | 129 | 95 Ų | 95 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.6 | -37.3 | 177.9 | -71.5 | 166.1 | 0 | 0 | 0 | 112.7 | E10 S11 | E10-L14 VanDerWaalsContact O-CG 3.3Å; E10-L14 WeakPolarHBondContact O-CG 3.29Å; E10-L14 PolarHBondContact O-N 3.01Å; E10-L14 VanDerWaalsContact O-N 3.08Å; S11-L14 PolarHBondContact O-N 3.05Å |
| 15 | N | 52.5 | Low | 56 | Low | 24 Ų | 24 | 93.4 Ų | 93.4 | 13% | 0.128 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -72.5 | -31 | 177.5 | -86.8 | -30.1 | 0 | 0 | 0 | 113.4 | S11 A17 V32 | S11-N15 WeakPolarHBondContact O-CB 3.42Å; S11-N15 PolarHBondContact O-N 3.25Å; N15-A17 VanDerWaalsContact C-N 3.27Å; N15-A17 PolarHBondContact O-N 3.44Å; N15-V32 PolarHBondContact ND2-O 3Å |
| 16 | G | 52.6 | Low | 56.6 | Low | 72 Ų | 72 | 89.6 Ų | 89.6 | 74% | 0.742 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -69.5 | -20 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H12 | H12-G16 PolarHBondContact O-N 2.85Å |
| 17 | A | 51.8 | Low | 57.2 | Low | 83 Ų | 83 | 88.4 Ų | 88.4 | 69% | 0.686 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -91.1 | -19.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N15 | N15-A17 VanDerWaalsContact C-N 3.27Å; N15-A17 PolarHBondContact O-N 3.44Å |
| 18 | V | 50.7 | Low | 57.5 | Low | 85 Ų | 85 | 85 Ų | 85 | 52% | 0.515 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -136.3 | 116.4 | -176.9 | -178 | 0 | 0 | 0 | 0 | 108.9 | Q20 | V18-Q20 HydrophobicContact CB-CG 4.49Å; V18-Q20 HydrophobicContact CG1-CG 3.98Å; V18-Q20 PolarHBondContact O-N 2.79Å |
| 19 | K | 53.1 | Low | 57.4 | Low | 220 Ų | 220 | 82.8 Ų | 82.8 | 96% | 0.957 | 46% | 0.459 | S | S | * | . | trans | -61 | 80.2 | 164.6 | -93.6 | -172.1 | 173.4 | -174.8 | 0 | 109.2 | ||||
| 20 | Q | 57.4 | Low | 57.4 | Low | 77 Ų | 77 | 83.1 Ų | 83.1 | 36% | 0.36 | 47% | 0.465 | S | S | . | . | trans | -73.1 | 129.3 | 169 | -76.8 | -173.1 | -20 | 0 | 0 | 108.3 | V18 T22 K25 | V18-Q20 HydrophobicContact CB-CG 4.49Å; V18-Q20 HydrophobicContact CG1-CG 3.98Å; V18-Q20 PolarHBondContact O-N 2.79Å; Q20-T22 PolarHBondContact O-N 3.49Å; Q20-K25 HydrophobicContact CB-CD 4.46Å; Q20-K25 HydrophobicContact CB-CG 3.8Å | ||
| 21 | S | 64.3 | Low | 57.3 | Low | 76 Ų | 76 | 77.5 Ų | 77.5 | 53% | 0.531 | 44% | 0.441 | S | S | . | . | trans | -55.4 | 137.4 | 171.4 | 173.5 | 0 | 0 | 0 | 0 | 110 | W23 S24 K25 | S21-W23 PolarHBondContact O-N 3.46Å; S21-W23 VanDerWaalsContact O-N 3.13Å; S21-S24 CarbonylContact O-C 3.57Å; S21-S24 VanDerWaalsContact O-CA 3.31Å; S21-S24 WeakPolarHBondContact O-CA 3.44Å; S21-S24 WeakPolarHBondContact O-CB 3.3Å; S21-S24 PolarHBondContact O-N 3.24Å; S21-K25 PolarHBondContact O-N 3.35Å | ||
| 22 | T | 67.4 | Low | 57.5 | Low | 48 Ų | 48 | 78.4 Ų | 78.4 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -45.9 | -41.8 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 113.1 | Q20 K25 A26 W33 E38 V42 | Q20-T22 PolarHBondContact O-N 3.49Å; T22-K25 PolarHBondContact O-N 2.86Å; T22-A26 WeakPolarHBondContact O-CB 3.48Å; T22-A26 PolarHBondContact O-N 3.08Å; T22-W33 HydrophobicContact CG2-CZ3 4.32Å; T22-E38 WeakPolarHBondContact CB-OE1 3.47Å; T22-E38 HydrophobicContact CG2-CG 3.45Å; T22-E38 VanDerWaalsContact CG2-CG 3.45Å; T22-E38 WeakPolarHBondContact CG2-OE1 3.5Å; T22-E38 PolarHBondContact OG1-OE1 3.36Å; T22-V42 HydrophobicContact CG2-CG2 3.62Å |
| 23 | W | 64.9 | Low | 58.1 | Low | 99 Ų | 99 | 74.5 Ų | 74.5 | 38% | 0.375 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -71.5 | -33.4 | 176 | -74.7 | 91.3 | 0 | 0 | 0 | 113.1 | S21 K25 A26 F27 W45 I49 | S21-W23 PolarHBondContact O-N 3.46Å; S21-W23 VanDerWaalsContact O-N 3.13Å; W23-K25 VanDerWaalsContact C-N 3.35Å; W23-A26 WeakPolarHBondContact O-CB 3.3Å; W23-A26 PolarHBondContact O-N 2.95Å; W23-F27 AromaticContact CE3-CE2 3.66Å; W23-F27 HydrophobicContact CE3-CE2 3.66Å; W23-F27 HydrophobicContact CE3-CZ 4.03Å; W23-F27 HydrophobicContact CZ3-CE2 4.25Å; W23-F27 HydrophobicContact CZ3-CZ 4.17Å; W23-F27 WeakPolarHBondContact O-CD2 3.39Å; W23-F27 PolarHBondContact O-N 3.37Å; W23-W45 HydrophobicContact CH2-CB 3.66Å; W23-W45 HydrophobicContact CH2-CG 4.44Å; W23-W45 HydrophobicContact CZ2-CB 3.79Å; W23-W45 HydrophobicContact CZ2-CG 4.12Å; W23-I49 HydrophobicContact CH2-CD1 4.3Å |
| 24 | S | 62.4 | Low | 58.2 | Low | 58 Ų | 58 | 73.7 Ų | 73.7 | 41% | 0.406 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.1 | -37.5 | 173.8 | -159.2 | 0 | 0 | 0 | 0 | 111.1 | S21 F27 C28 | S21-S24 CarbonylContact O-C 3.57Å; S21-S24 VanDerWaalsContact O-CA 3.31Å; S21-S24 WeakPolarHBondContact O-CA 3.44Å; S21-S24 WeakPolarHBondContact O-CB 3.3Å; S21-S24 PolarHBondContact O-N 3.24Å; S24-F27 PolarHBondContact O-N 3.19Å; S24-C28 VanDerWaalsContact O-CB 3.3Å; S24-C28 WeakPolarHBondContact O-CB 3.39Å; S24-C28 PolarHBondContact O-N 2.67Å; S24-C28 PolarHBondContact O-SG 2.89Å |
| 25 | K | 66.3 | Low | 58.8 | Low | 27 Ų | 27 | 73.6 Ų | 73.6 | 12% | 0.117 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 170 | -73.5 | -175.7 | 178.5 | 179 | 0 | 111.8 | Q20 S21 T22 W23 F27 C28 A31 W33 | Q20-K25 HydrophobicContact CB-CD 4.46Å; Q20-K25 HydrophobicContact CB-CG 3.8Å; S21-K25 PolarHBondContact O-N 3.35Å; T22-K25 PolarHBondContact O-N 2.86Å; W23-K25 VanDerWaalsContact C-N 3.35Å; K25-F27 VanDerWaalsContact C-N 3.26Å; K25-F27 PolarHBondContact O-N 3.4Å; K25-C28 PolarHBondContact O-N 2.99Å; K25-C28 VanDerWaalsContact O-O 3.12Å; K25-A31 HydrophobicContact CB-CB 4.02Å; K25-A31 HydrophobicContact CG-CB 4.21Å; K25-W33 HydrophobicContact CB-CH2 3.87Å; K25-W33 HydrophobicContact CB-CZ2 4.21Å; K25-W33 HydrophobicContact CB-CZ3 4.38Å |
| 26 | A | 63.6 | Low | 59.5 | Low | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -57.2 | -35.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T22 W23 W33 V42 Y83 | T22-A26 WeakPolarHBondContact O-CB 3.48Å; T22-A26 PolarHBondContact O-N 3.08Å; W23-A26 WeakPolarHBondContact O-CB 3.3Å; W23-A26 PolarHBondContact O-N 2.95Å; A26-W33 HydrophobicContact CB-CH2 4.13Å; A26-W33 HydrophobicContact CB-CZ2 4.43Å; A26-V42 HydrophobicContact CB-CB 4.32Å; A26-V42 HydrophobicContact CB-CG1 3.29Å; A26-V42 HydrophobicContact CB-CG2 4.05Å; A26-Y83 PolarHBondContact O-OH 3.36Å |
| 27 | F | 63.7 | Low | 60.6 | Low | 125 Ų | 125 | 78.4 Ų | 78.4 | 55% | 0.548 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -98.3 | -8 | -179.8 | -62.4 | -62.7 | 0 | 0 | 0 | 113.7 | W23 S24 K25 | W23-F27 AromaticContact CE3-CE2 3.66Å; W23-F27 HydrophobicContact CE3-CE2 3.66Å; W23-F27 HydrophobicContact CE3-CZ 4.03Å; W23-F27 HydrophobicContact CZ3-CE2 4.25Å; W23-F27 HydrophobicContact CZ3-CZ 4.17Å; W23-F27 WeakPolarHBondContact O-CD2 3.39Å; W23-F27 PolarHBondContact O-N 3.37Å; S24-F27 PolarHBondContact O-N 3.19Å; K25-F27 VanDerWaalsContact C-N 3.26Å; K25-F27 PolarHBondContact O-N 3.4Å |
| 28 | C | 60 | Low | 61.7 | Low | 59 Ų | 59 | 76.5 Ų | 76.5 | 40% | 0.399 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -93.9 | 98.7 | 171 | -73.1 | 0 | 0 | 0 | 0 | 109.9 | S24 K25 N30 A31 | S24-C28 VanDerWaalsContact O-CB 3.3Å; S24-C28 WeakPolarHBondContact O-CB 3.39Å; S24-C28 PolarHBondContact O-N 2.67Å; S24-C28 PolarHBondContact O-SG 2.89Å; K25-C28 PolarHBondContact O-N 2.99Å; K25-C28 VanDerWaalsContact O-O 3.12Å; C28-N30 PolarHBondContact O-N 3Å; C28-A31 PolarHBondContact O-N 3.2Å |
| 29 | G | 50.5 | Low | 62.8 | Low | 31 Ų | 31 | 72.5 Ų | 72.5 | 32% | 0.32 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 39.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | F87 | G29-F87 CarbonylContact C-O 3.46Å; G29-F87 WeakPolarHBondContact CA-O 3.34Å |
| 30 | N | 54.3 | Low | 63.9 | Low | 141 Ų | 141 | 63.4 Ų | 63.4 | 75% | 0.754 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.5 | 12.3 | 171.9 | -96.3 | -41.7 | 0 | 0 | 0 | 112.7 | C28 | C28-N30 PolarHBondContact O-N 3Š|
| 31 | A | 54.2 | Low | 65.1 | Low | 14 Ų | 14 | 64.5 Ų | 64.5 | 12% | 0.116 | 34% | 0.343 | C | S | . | . | trans | -80.4 | 122.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K25 C28 W33 | K25-A31 HydrophobicContact CB-CB 4.02Å; K25-A31 HydrophobicContact CG-CB 4.21Å; C28-A31 PolarHBondContact O-N 3.2Å; A31-W33 PolarHBondContact O-NE1 3.35Å | ||
| 32 | V | 56 | Low | 65.8 | Low | 42 Ų | 42 | 61.1 Ų | 61.1 | 26% | 0.255 | 32% | 0.319 | S | S | . | . | trans | -73.9 | 124.9 | 164.7 | 174.5 | 0 | 0 | 0 | 0 | 108 | K8 N15 | K8-V32 HydrophobicContact CG-CG2 4.48Å; N15-V32 PolarHBondContact ND2-O 3Å | ||
| 33 | W | 63.5 | Low | 66.3 | Low | 20 Ų | 20 | 59.2 Ų | 59.2 | 8% | 0.076 | 31% | 0.307 | C | S | . | . | trans | -87.3 | 113.1 | 176.5 | -60.3 | 84.3 | 0 | 0 | 0 | 108.8 | T22 K25 A26 A31 E35 E38 F39 V42 | T22-W33 HydrophobicContact CG2-CZ3 4.32Å; K25-W33 HydrophobicContact CB-CH2 3.87Å; K25-W33 HydrophobicContact CB-CZ2 4.21Å; K25-W33 HydrophobicContact CB-CZ3 4.38Å; A26-W33 HydrophobicContact CB-CH2 4.13Å; A26-W33 HydrophobicContact CB-CZ2 4.43Å; A31-W33 PolarHBondContact O-NE1 3.35Å; W33-E35 VanDerWaalsContact C-N 3.33Å; W33-E38 HydrophobicContact CE3-CB 4.45Å; W33-E38 HydrophobicContact CE3-CG 4.28Å; W33-E38 HydrophobicContact CZ3-CG 4.01Å; W33-F39 HydrophobicContact CB-CB 4.19Å; W33-F39 HydrophobicContact CD2-CB 3.8Å; W33-F39 AromaticContact CD2-CD2 3.92Å; W33-F39 HydrophobicContact CD2-CD2 3.92Å; W33-F39 HydrophobicContact CD2-CG 4.14Å; W33-F39 AromaticContact CE2-CD2 3.73Å; W33-F39 HydrophobicContact CE3-CB 3.9Å; W33-F39 HydrophobicContact CE3-CD2 4.47Å; W33-F39 HydrophobicContact CG-CB 3.91Å; W33-F39 HydrophobicContact CG-CD2 4.19Å; W33-F39 HydrophobicContact CG-CG 4.11Å; W33-F39 HydrophobicContact CZ2-CD2 4.12Å; W33-F39 AromaticContact NE1-CD2 3.91Å; W33-V42 HydrophobicContact CH2-CG2 4.1Å; W33-V42 HydrophobicContact CZ3-CG2 4.33Å | ||
| 34 | E | 59 | Low | 67 | Low | 118 Ų | 118 | 58.8 Ų | 58.8 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -72.4 | -31.6 | 175.8 | -69.9 | 177.3 | 155.2 | 0 | 0 | 111.1 | H12 | H12-E34 IonicContact CD2-OE1 2.61Å; H12-E34 IonicContact CE1-OE1 2.89Å; H12-E34 PolarHBondContact CE1-OE1 3.44Å; H12-E34 IonicContact ND1-OE1 3.36Å; H12-E34 PolarHBondContact ND1-OE1 3.16Å; H12-E34 IonicContact NE2-OE1 3.36Å; H12-E34 PolarHBondContact NE2-OE1 3.09Å |
| 35 | E | 65.9 | Low | 68.1 | Low | 127 Ų | 127 | 62.7 Ų | 62.7 | 59% | 0.593 | 31% | 0.312 | S | S | * | . | trans | -115.7 | 121.6 | -179.8 | -67.7 | -178.2 | -172.4 | 0 | 0 | 111.1 | W33 D37 E38 | W33-E35 VanDerWaalsContact C-N 3.33Å; E35-D37 VanDerWaalsContact C-N 3.26Å; E35-D37 PolarHBondContact O-N 3.44Å; E35-E38 HydrophobicContact CB-CB 4.23Å; E35-E38 PolarHBondContact O-N 3.31Å | ||
| 36 | K | 68.2 | Low | 68.9 | Low | 83 Ų | 83 | 62.9 Ų | 62.9 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.2 | -37.2 | 176.5 | 177.4 | 173.3 | 178.4 | -174.5 | 0 | 111.8 | F39 L40 Y95 | K36-F39 PolarHBondContact O-N 2.89Å; K36-L40 HydrophobicContact CG-CD1 3.89Å; K36-L40 HydrophobicContact CG-CG 4.28Å; K36-L40 VanDerWaalsContact O-CG 3.3Å; K36-L40 WeakPolarHBondContact O-CG 3.31Å; K36-L40 PolarHBondContact O-N 3.3Å; K36-Y95 HydrophobicContact CB-CE1 4Å; K36-Y95 HydrophobicContact CD-CD1 4.27Å; K36-Y95 HydrophobicContact CD-CE1 4.03Å; K36-Y95 HydrophobicContact CG-CD1 4.44Å; K36-Y95 HydrophobicContact CG-CE1 3.84Å |
| 37 | D | 74.7 | Confident | 69.8 | Low | 114 Ų | 114 | 63 Ų | 63 | 61% | 0.61 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.3 | -40.4 | -176.2 | -61.5 | -22.6 | 0 | 0 | 0 | 112 | E35 F39 L40 D41 | E35-D37 VanDerWaalsContact C-N 3.26Å; E35-D37 PolarHBondContact O-N 3.44Å; D37-F39 VanDerWaalsContact C-N 3.26Å; D37-F39 PolarHBondContact O-N 3.36Å; D37-L40 PolarHBondContact O-N 2.99Å; D37-D41 PolarHBondContact O-N 2.8Å |
| 38 | E | 75.7 | Confident | 71 | Confident | 42 Ų | 42 | 58 Ų | 58 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 175.7 | -170.3 | -174 | -175.1 | 0 | 0 | 111.3 | T22 W33 E35 D41 V42 | T22-E38 WeakPolarHBondContact CB-OE1 3.47Å; T22-E38 HydrophobicContact CG2-CG 3.45Å; T22-E38 VanDerWaalsContact CG2-CG 3.45Å; T22-E38 WeakPolarHBondContact CG2-OE1 3.5Å; T22-E38 PolarHBondContact OG1-OE1 3.36Å; W33-E38 HydrophobicContact CE3-CB 4.45Å; W33-E38 HydrophobicContact CE3-CG 4.28Å; W33-E38 HydrophobicContact CZ3-CG 4.01Å; E35-E38 HydrophobicContact CB-CB 4.23Å; E35-E38 PolarHBondContact O-N 3.31Å; E38-D41 PolarHBondContact O-N 3.41Å; E38-V42 WeakPolarHBondContact O-CG2 3.09Å; E38-V42 PolarHBondContact O-N 3.29Å |
| 39 | F | 73.4 | Confident | 72.4 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 177 | 178.8 | -130.6 | 0 | 0 | 0 | 112.6 | W33 K36 D37 D41 V42 I43 Y83 F84 Q88 I90 L101 | W33-F39 HydrophobicContact CB-CB 4.19Å; W33-F39 HydrophobicContact CD2-CB 3.8Å; W33-F39 AromaticContact CD2-CD2 3.92Å; W33-F39 HydrophobicContact CD2-CD2 3.92Å; W33-F39 HydrophobicContact CD2-CG 4.14Å; W33-F39 AromaticContact CE2-CD2 3.73Å; W33-F39 HydrophobicContact CE3-CB 3.9Å; W33-F39 HydrophobicContact CE3-CD2 4.47Å; W33-F39 HydrophobicContact CG-CB 3.91Å; W33-F39 HydrophobicContact CG-CD2 4.19Å; W33-F39 HydrophobicContact CG-CG 4.11Å; W33-F39 HydrophobicContact CZ2-CD2 4.12Å; W33-F39 AromaticContact NE1-CD2 3.91Å; K36-F39 PolarHBondContact O-N 2.89Å; D37-F39 VanDerWaalsContact C-N 3.26Å; D37-F39 PolarHBondContact O-N 3.36Å; F39-D41 VanDerWaalsContact C-N 3.31Å; F39-D41 PolarHBondContact O-N 3.41Å; F39-V42 PolarHBondContact O-N 2.88Å; F39-I43 HydrophobicContact CD1-CD1 3.89Å; F39-I43 HydrophobicContact CD2-CD1 3.96Å; F39-I43 HydrophobicContact CD2-CG1 4.34Å; F39-I43 HydrophobicContact CE1-CD1 3.5Å; F39-I43 HydrophobicContact CE2-CD1 3.47Å; F39-I43 VanDerWaalsContact CE2-CD1 3.47Å; F39-I43 HydrophobicContact CE2-CG1 3.88Å; F39-I43 HydrophobicContact CG-CD1 4.15Å; F39-I43 HydrophobicContact CZ-CD1 3.3Å; F39-I43 HydrophobicContact CZ-CG1 4.17Å; F39-I43 WeakPolarHBondContact O-CG1 3.48Å; F39-I43 PolarHBondContact O-N 2.96Å; F39-I43 VanDerWaalsContact O-N 3.1Å; F39-Y83 AromaticContact CE2-CE1 3.91Å; F39-Y83 HydrophobicContact CE2-CE1 3.91Å; F39-Y83 HydrophobicContact CZ-CE1 4.37Å; F39-F84 HydrophobicContact CE1-CD1 4.32Å; F39-F84 AromaticContact CE1-CE1 3.6Å; F39-F84 HydrophobicContact CE1-CE1 3.6Å; F39-F84 AromaticContact CZ-CD1 3.91Å; F39-F84 HydrophobicContact CZ-CD1 3.91Å; F39-F84 AromaticContact CZ-CE1 3.42Å; F39-F84 HydrophobicContact CZ-CE1 3.42Å; F39-F84 VanDerWaalsContact CZ-CE1 3.42Å; F39-Q88 HydrophobicContact CE2-CG 4.41Å; F39-Q88 HydrophobicContact CZ-CG 4.1Å; F39-Q88 VanDerWaalsContact CZ-NE2 3.27Å; F39-I90 HydrophobicContact CE1-CD1 3.85Å; F39-I90 HydrophobicContact CZ-CD1 4.06Å; F39-L101 HydrophobicContact CD1-CD2 3.87Å; F39-L101 HydrophobicContact CE1-CD2 3.57Å |
| 40 | L | 76.5 | Confident | 74.1 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.5 | -74 | 171.9 | 0 | 0 | 0 | 111.7 | K36 D37 I43 Y44 L101 | K36-L40 HydrophobicContact CG-CD1 3.89Å; K36-L40 HydrophobicContact CG-CG 4.28Å; K36-L40 VanDerWaalsContact O-CG 3.3Å; K36-L40 WeakPolarHBondContact O-CG 3.31Å; K36-L40 PolarHBondContact O-N 3.3Å; D37-L40 PolarHBondContact O-N 2.99Å; L40-I43 PolarHBondContact O-N 3.48Å; L40-Y44 VanDerWaalsContact O-CB 3.24Å; L40-Y44 WeakPolarHBondContact O-CB 3.23Å; L40-Y44 PolarHBondContact O-N 3.17Å; L40-L101 HydrophobicContact CD2-CD2 3.93Å; L40-L101 HydrophobicContact CD2-CG 3.87Å |
| 41 | D | 81.8 | Confident | 75.8 | Confident | 100 Ų | 100 | 51.9 Ų | 51.9 | 54% | 0.535 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 176.3 | -84.6 | -12 | 0 | 0 | 0 | 112.1 | D37 E38 F39 Y44 W45 | D37-D41 PolarHBondContact O-N 2.8Å; E38-D41 PolarHBondContact O-N 3.41Å; F39-D41 VanDerWaalsContact C-N 3.31Å; F39-D41 PolarHBondContact O-N 3.41Å; D41-Y44 WeakPolarHBondContact O-CB 3.41Å; D41-Y44 PolarHBondContact O-N 2.87Å; D41-W45 VanDerWaalsContact O-CD1 3.25Å; D41-W45 PolarHBondContact O-N 3.38Å |
| 42 | V | 78.8 | Confident | 77.6 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.03 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 176.1 | 166.1 | 0 | 0 | 0 | 0 | 111.1 | T22 A26 W33 E38 F39 Y44 W45 L46 | T22-V42 HydrophobicContact CG2-CG2 3.62Å; A26-V42 HydrophobicContact CB-CB 4.32Å; A26-V42 HydrophobicContact CB-CG1 3.29Å; A26-V42 HydrophobicContact CB-CG2 4.05Å; W33-V42 HydrophobicContact CH2-CG2 4.1Å; W33-V42 HydrophobicContact CZ3-CG2 4.33Å; E38-V42 WeakPolarHBondContact O-CG2 3.09Å; E38-V42 PolarHBondContact O-N 3.29Å; F39-V42 PolarHBondContact O-N 2.88Å; V42-Y44 VanDerWaalsContact C-N 3.32Å; V42-Y44 PolarHBondContact O-N 2.94Å; V42-W45 PolarHBondContact O-N 2.84Å; V42-L46 WeakPolarHBondContact O-CB 3.22Å; V42-L46 PolarHBondContact O-N 3.29Å |
| 43 | I | 77.9 | Confident | 79.2 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 178.8 | -70.8 | 163.7 | 0 | 0 | 0 | 110.4 | F39 L40 W45 L46 R47 L80 Y83 F84 L101 | F39-I43 HydrophobicContact CD1-CD1 3.89Å; F39-I43 HydrophobicContact CD2-CD1 3.96Å; F39-I43 HydrophobicContact CD2-CG1 4.34Å; F39-I43 HydrophobicContact CE1-CD1 3.5Å; F39-I43 HydrophobicContact CE2-CD1 3.47Å; F39-I43 VanDerWaalsContact CE2-CD1 3.47Å; F39-I43 HydrophobicContact CE2-CG1 3.88Å; F39-I43 HydrophobicContact CG-CD1 4.15Å; F39-I43 HydrophobicContact CZ-CD1 3.3Å; F39-I43 HydrophobicContact CZ-CG1 4.17Å; F39-I43 WeakPolarHBondContact O-CG1 3.48Å; F39-I43 PolarHBondContact O-N 2.96Å; F39-I43 VanDerWaalsContact O-N 3.1Å; L40-I43 PolarHBondContact O-N 3.48Å; I43-W45 PolarHBondContact O-N 3.45Å; I43-L46 PolarHBondContact O-N 2.93Å; I43-R47 HydrophobicContact CG2-CG 4.45Å; I43-R47 WeakPolarHBondContact O-CG 3.36Å; I43-R47 PolarHBondContact O-N 3.25Å; I43-L80 HydrophobicContact CG2-CD2 3.63Å; I43-L80 HydrophobicContact CG2-CG 4.32Å; I43-Y83 HydrophobicContact CG1-CE1 4.38Å; I43-F84 HydrophobicContact CD1-CE1 3.55Å; I43-F84 HydrophobicContact CD1-CZ 3.55Å; I43-L101 HydrophobicContact CD1-CD2 4.09Å |
| 44 | Y | 81 | Confident | 80.5 | Confident | 91 Ų | 91 | 57 Ų | 57 | 36% | 0.357 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.7 | -52.4 | 177.5 | 171.9 | -94.5 | 0 | 0 | 0 | 110.7 | L40 D41 V42 L46 R47 Q48 | L40-Y44 VanDerWaalsContact O-CB 3.24Å; L40-Y44 WeakPolarHBondContact O-CB 3.23Å; L40-Y44 PolarHBondContact O-N 3.17Å; D41-Y44 WeakPolarHBondContact O-CB 3.41Å; D41-Y44 PolarHBondContact O-N 2.87Å; V42-Y44 VanDerWaalsContact C-N 3.32Å; V42-Y44 PolarHBondContact O-N 2.94Å; Y44-L46 PolarHBondContact O-N 2.76Å; Y44-R47 PolarHBondContact O-N 2.76Å; Y44-Q48 WeakPolarHBondContact O-CB 3.38Å; Y44-Q48 PolarHBondContact O-N 2.84Å |
| 45 | W | 84.4 | Confident | 81.9 | Confident | 140 Ų | 140 | 51.4 Ų | 51.4 | 53% | 0.53 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.4 | -39.5 | 179.4 | -84.4 | 103.7 | 0 | 0 | 0 | 113.2 | W23 D41 V42 I43 R47 Q48 I49 | W23-W45 HydrophobicContact CH2-CB 3.66Å; W23-W45 HydrophobicContact CH2-CG 4.44Å; W23-W45 HydrophobicContact CZ2-CB 3.79Å; W23-W45 HydrophobicContact CZ2-CG 4.12Å; D41-W45 VanDerWaalsContact O-CD1 3.25Å; D41-W45 PolarHBondContact O-N 3.38Å; V42-W45 PolarHBondContact O-N 2.84Å; I43-W45 PolarHBondContact O-N 3.45Å; W45-R47 PolarHBondContact O-N 3.03Å; W45-Q48 WeakPolarHBondContact O-CB 3.48Å; W45-Q48 PolarHBondContact O-N 3.33Å; W45-I49 WeakPolarHBondContact O-CG1 3.34Å; W45-I49 PolarHBondContact O-N 3.33Å |
| 46 | L | 83.3 | Confident | 83.1 | Confident | 31 Ų | 31 | 47.1 Ų | 47.1 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 176.4 | -176 | 130.5 | 0 | 0 | 0 | 111.1 | V42 I43 Y44 Q48 I49 I50 L79 | V42-L46 WeakPolarHBondContact O-CB 3.22Å; V42-L46 PolarHBondContact O-N 3.29Å; I43-L46 PolarHBondContact O-N 2.93Å; Y44-L46 PolarHBondContact O-N 2.76Å; L46-Q48 VanDerWaalsContact C-N 3.31Å; L46-Q48 PolarHBondContact O-N 3.34Å; L46-I49 PolarHBondContact O-N 3.19Å; L46-I50 HydrophobicContact CD2-CD1 3.58Å; L46-I50 HydrophobicContact CG-CD1 4.11Å; L46-I50 VanDerWaalsContact O-CD1 3.26Å; L46-I50 WeakPolarHBondContact O-CD1 3.44Å; L46-I50 VanDerWaalsContact O-CG1 3.3Å; L46-I50 WeakPolarHBondContact O-CG1 3.4Å; L46-I50 PolarHBondContact O-N 2.99Å; L46-I50 VanDerWaalsContact O-N 3.1Å; L46-L79 HydrophobicContact CD2-CD2 4.08Å |
| 47 | R | 83.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -42 | 173.5 | -70.6 | -179.2 | -169.9 | -108.2 | 27.6 | 112.2 | I43 Y44 W45 I49 I50 A51 N76 L80 L101 T102 E104 | I43-R47 HydrophobicContact CG2-CG 4.45Å; I43-R47 WeakPolarHBondContact O-CG 3.36Å; I43-R47 PolarHBondContact O-N 3.25Å; Y44-R47 PolarHBondContact O-N 2.76Å; W45-R47 PolarHBondContact O-N 3.03Å; R47-I49 VanDerWaalsContact C-N 3.33Å; R47-I49 PolarHBondContact O-N 3.19Å; R47-I50 PolarHBondContact O-N 3.1Å; R47-A51 WeakPolarHBondContact O-CB 3.34Å; R47-A51 PolarHBondContact O-N 3.34Å; R47-N76 PolarHBondContact NH1-OD1 2.69Å; R47-L80 HydrophobicContact CG-CD1 3.56Å; R47-L101 PolarHBondContact NH2-O 3.43Å; R47-T102 VanDerWaalsContact NH2-C 3.28Å; R47-T102 VanDerWaalsContact NH2-CA 3.32Å; R47-T102 PolarHBondContact NH2-O 3.38Å; R47-E104 PolarHBondContact NH2-O 3.24Å |
| 48 | Q | 88.4 | Confident | 84.7 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.3 | -45.4 | 179.6 | -132.4 | 63.6 | 28.5 | 0 | 0 | 110.8 | Y44 W45 L46 A51 I52 L112 | Y44-Q48 WeakPolarHBondContact O-CB 3.38Å; Y44-Q48 PolarHBondContact O-N 2.84Å; W45-Q48 WeakPolarHBondContact O-CB 3.48Å; W45-Q48 PolarHBondContact O-N 3.33Å; L46-Q48 VanDerWaalsContact C-N 3.31Å; L46-Q48 PolarHBondContact O-N 3.34Å; Q48-A51 PolarHBondContact O-N 3.34Å; Q48-I52 WeakPolarHBondContact O-CD1 3.02Å; Q48-I52 VanDerWaalsContact O-CG1 3.29Å; Q48-I52 WeakPolarHBondContact O-CG1 3.25Å; Q48-I52 PolarHBondContact O-N 3.34Å; Q48-L112 HydrophobicContact CB-CD2 4.4Å; Q48-L112 HydrophobicContact CG-CD2 3.46Å; Q48-L112 VanDerWaalsContact CG-CD2 3.46Å |
| 49 | I | 87.8 | Confident | 85.1 | Confident | 78 Ų | 78 | 41.2 Ų | 41.2 | 40% | 0.4 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.3 | -46.2 | 177.1 | -67.4 | 167 | 0 | 0 | 0 | 110.8 | W23 W45 L46 R47 A51 I52 I53 | W23-I49 HydrophobicContact CH2-CD1 4.3Å; W45-I49 WeakPolarHBondContact O-CG1 3.34Å; W45-I49 PolarHBondContact O-N 3.33Å; L46-I49 PolarHBondContact O-N 3.19Å; R47-I49 VanDerWaalsContact C-N 3.33Å; R47-I49 PolarHBondContact O-N 3.19Å; I49-A51 VanDerWaalsContact C-N 3.34Å; I49-A51 PolarHBondContact O-N 3.49Å; I49-I52 PolarHBondContact O-N 3.34Å; I49-I53 HydrophobicContact CG2-CD1 3.75Å; I49-I53 HydrophobicContact CG2-CG1 4.46Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.24Å |
| 50 | I | 87.1 | Confident | 85.7 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.128 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -42.2 | 178.5 | -64.4 | 153.9 | 0 | 0 | 0 | 111.2 | L46 R47 I52 I53 L54 I75 L79 | L46-I50 HydrophobicContact CD2-CD1 3.58Å; L46-I50 HydrophobicContact CG-CD1 4.11Å; L46-I50 VanDerWaalsContact O-CD1 3.26Å; L46-I50 WeakPolarHBondContact O-CD1 3.44Å; L46-I50 VanDerWaalsContact O-CG1 3.3Å; L46-I50 WeakPolarHBondContact O-CG1 3.4Å; L46-I50 PolarHBondContact O-N 2.99Å; L46-I50 VanDerWaalsContact O-N 3.1Å; R47-I50 PolarHBondContact O-N 3.1Å; I50-I52 VanDerWaalsContact C-N 3.32Å; I50-I52 PolarHBondContact O-N 3.35Å; I50-I53 PolarHBondContact O-N 3.47Å; I50-L54 HydrophobicContact CG2-CD1 3.74Å; I50-L54 HydrophobicContact CG2-CG 4.18Å; I50-L54 WeakPolarHBondContact O-CB 3.34Å; I50-L54 WeakPolarHBondContact O-CG 3.14Å; I50-L54 PolarHBondContact O-N 3.4Å; I50-I75 HydrophobicContact CG2-CG2 4.33Å; I50-L79 HydrophobicContact CD1-CD2 3.16Å; I50-L79 HydrophobicContact CG1-CD2 4.11Å |
| 51 | A | 90.1 | Very high | 86 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R47 Q48 I49 G55 F72 S109 F113 | R47-A51 WeakPolarHBondContact O-CB 3.34Å; R47-A51 PolarHBondContact O-N 3.34Å; Q48-A51 PolarHBondContact O-N 3.34Å; I49-A51 VanDerWaalsContact C-N 3.34Å; I49-A51 PolarHBondContact O-N 3.49Å; A51-G55 PolarHBondContact O-N 3.39Å; A51-F72 HydrophobicContact CB-CE2 3.96Å; A51-F72 HydrophobicContact CB-CZ 4.33Å; A51-S109 VanDerWaalsContact CB-O 3.3Å; A51-S109 WeakPolarHBondContact CB-O 3.3Å; A51-F113 HydrophobicContact CB-CB 3.97Å |
| 52 | I | 91.5 | Very high | 85.6 | Confident | 76 Ų | 76 | 44.5 Ų | 44.5 | 39% | 0.39 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.3 | -51.7 | 174.6 | -66.9 | 161.5 | 0 | 0 | 0 | 110.2 | Q48 I49 I50 L54 G55 V56 L112 V116 | Q48-I52 WeakPolarHBondContact O-CD1 3.02Å; Q48-I52 VanDerWaalsContact O-CG1 3.29Å; Q48-I52 WeakPolarHBondContact O-CG1 3.25Å; Q48-I52 PolarHBondContact O-N 3.34Å; I49-I52 PolarHBondContact O-N 3.34Å; I50-I52 VanDerWaalsContact C-N 3.32Å; I50-I52 PolarHBondContact O-N 3.35Å; I52-L54 PolarHBondContact O-N 3.19Å; I52-G55 PolarHBondContact O-N 3.26Å; I52-V56 HydrophobicContact CG2-CG2 4.39Å; I52-V56 VanDerWaalsContact O-CG2 3.28Å; I52-V56 WeakPolarHBondContact O-CG2 3.27Å; I52-V56 PolarHBondContact O-N 3.45Å; I52-L112 HydrophobicContact CD1-CD2 3.99Å; I52-L112 HydrophobicContact CG1-CD2 3.71Å; I52-L112 HydrophobicContact CG1-CG 4.26Å; I52-V116 HydrophobicContact CG1-CG2 4.29Å |
| 53 | I | 90.8 | Very high | 85.3 | Confident | 90 Ų | 90 | 46.7 Ų | 46.7 | 46% | 0.462 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.3 | -50 | -178 | -68.1 | 169 | 0 | 0 | 0 | 110.8 | I49 I50 V56 I57 | I49-I53 HydrophobicContact CG2-CD1 3.75Å; I49-I53 HydrophobicContact CG2-CG1 4.46Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.24Å; I50-I53 PolarHBondContact O-N 3.47Å; I53-V56 PolarHBondContact O-N 3Å; I53-I57 HydrophobicContact CG2-CD1 3.73Å; I53-I57 VanDerWaalsContact O-CG1 3.26Å; I53-I57 WeakPolarHBondContact O-CG1 3.21Å; I53-I57 PolarHBondContact O-N 2.81Å |
| 54 | L | 89.8 | Confident | 85 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 9% | 0.089 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 178.8 | -71 | 177.7 | 0 | 0 | 0 | 112 | I50 I52 V56 I57 W58 F72 I75 F113 | I50-L54 HydrophobicContact CG2-CD1 3.74Å; I50-L54 HydrophobicContact CG2-CG 4.18Å; I50-L54 WeakPolarHBondContact O-CB 3.34Å; I50-L54 WeakPolarHBondContact O-CG 3.14Å; I50-L54 PolarHBondContact O-N 3.4Å; I52-L54 PolarHBondContact O-N 3.19Å; L54-V56 VanDerWaalsContact C-N 3.33Å; L54-V56 PolarHBondContact O-N 3.06Å; L54-I57 PolarHBondContact O-N 3.34Å; L54-W58 WeakPolarHBondContact O-CB 3.26Å; L54-W58 PolarHBondContact O-N 2.76Å; L54-F72 HydrophobicContact CB-CD2 4.44Å; L54-F72 HydrophobicContact CD1-CD2 3.76Å; L54-F72 HydrophobicContact CD1-CE2 4.4Å; L54-I75 HydrophobicContact CD1-CB 4.18Å; L54-I75 HydrophobicContact CD1-CD1 4.09Å; L54-I75 HydrophobicContact CD1-CG2 3.98Å; L54-I75 HydrophobicContact CD2-CD1 3.94Å; L54-F113 HydrophobicContact CB-CD2 4.17Å; L54-F113 HydrophobicContact CB-CE2 4.22Å |
| 55 | G | 89.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A51 I52 G59 W117 | A51-G55 PolarHBondContact O-N 3.39Å; I52-G55 PolarHBondContact O-N 3.26Å; G55-G59 PolarHBondContact O-N 3.28Å; G55-W117 WeakPolarHBondContact O-CA 3.18Å |
| 56 | V | 90.6 | Very high | 84.8 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -51.4 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | I52 I53 L54 W58 G59 I60 V116 F120 | I52-V56 HydrophobicContact CG2-CG2 4.39Å; I52-V56 VanDerWaalsContact O-CG2 3.28Å; I52-V56 WeakPolarHBondContact O-CG2 3.27Å; I52-V56 PolarHBondContact O-N 3.45Å; I53-V56 PolarHBondContact O-N 3Å; L54-V56 VanDerWaalsContact C-N 3.33Å; L54-V56 PolarHBondContact O-N 3.06Å; V56-W58 VanDerWaalsContact C-N 3.3Å; V56-W58 PolarHBondContact O-N 3.21Å; V56-G59 PolarHBondContact O-N 2.87Å; V56-I60 HydrophobicContact CG1-CD1 3.68Å; V56-I60 VanDerWaalsContact O-CG1 3.31Å; V56-I60 WeakPolarHBondContact O-CG1 3.3Å; V56-I60 PolarHBondContact O-N 3.2Å; V56-V116 HydrophobicContact CG2-CG1 3.75Å; V56-F120 HydrophobicContact CG1-CD1 4.37Å; V56-F120 HydrophobicContact CG1-CE1 4.14Å; V56-F120 HydrophobicContact CG1-CZ 4.35Å; V56-F120 HydrophobicContact CG2-CD2 4.03Å; V56-F120 HydrophobicContact CG2-CE1 4.38Å; V56-F120 HydrophobicContact CG2-CE2 3.63Å; V56-F120 HydrophobicContact CG2-CZ 3.82Å |
| 57 | I | 89.4 | Confident | 84.9 | Confident | 77 Ų | 77 | 55.4 Ų | 55.4 | 40% | 0.395 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | -178 | -63 | 164.6 | 0 | 0 | 0 | 110.3 | I53 L54 I60 A61 | I53-I57 HydrophobicContact CG2-CD1 3.73Å; I53-I57 VanDerWaalsContact O-CG1 3.26Å; I53-I57 WeakPolarHBondContact O-CG1 3.21Å; I53-I57 PolarHBondContact O-N 2.81Å; L54-I57 PolarHBondContact O-N 3.34Å; I57-I60 PolarHBondContact O-N 2.91Å; I57-A61 WeakPolarHBondContact O-CB 3.24Å; I57-A61 PolarHBondContact O-N 3.45Å |
| 58 | W | 86.4 | Confident | 84.9 | Confident | 38 Ų | 38 | 55.4 Ų | 55.4 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.6 | -32.5 | -178.6 | -93.5 | -134.1 | 0 | 0 | 0 | 112.9 | L54 V56 I60 L63 G68 I71 W117 | L54-W58 WeakPolarHBondContact O-CB 3.26Å; L54-W58 PolarHBondContact O-N 2.76Å; V56-W58 VanDerWaalsContact C-N 3.3Å; V56-W58 PolarHBondContact O-N 3.21Å; W58-I60 VanDerWaalsContact C-N 3.32Å; W58-L63 HydrophobicContact CD2-CD1 3.44Å; W58-L63 VanDerWaalsContact CD2-CD1 3.44Å; W58-L63 HydrophobicContact CE3-CD1 3.98Å; W58-L63 HydrophobicContact CG-CB 4.04Å; W58-L63 HydrophobicContact CG-CD1 3.83Å; W58-L63 HydrophobicContact CH2-CD1 3.97Å; W58-L63 HydrophobicContact CZ2-CD1 3.45Å; W58-L63 VanDerWaalsContact CZ2-CD1 3.45Å; W58-L63 HydrophobicContact CZ3-CD1 4.21Å; W58-L63 PolarHBondContact O-N 3.48Å; W58-G68 VanDerWaalsContact CD1-CA 3.49Å; W58-I71 HydrophobicContact CH2-CG2 4.3Å; W58-I71 HydrophobicContact CZ2-CB 4.18Å; W58-I71 HydrophobicContact CZ2-CD1 3.89Å; W58-I71 HydrophobicContact CZ2-CG2 3.73Å; W58-W117 HydrophobicContact CB-CD2 4.36Å; W58-W117 HydrophobicContact CB-CG 4.26Å; W58-W117 PolarHBondContact O-NE1 3.03Å |
| 59 | G | 85.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -35.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G55 V56 H125 | G55-G59 PolarHBondContact O-N 3.28Å; V56-G59 PolarHBondContact O-N 2.87Å; G59-H125 PolarHBondContact O-CE1 3.02Å; G59-H125 VanDerWaalsContact O-CE1 3.26Å |
| 60 | I | 85.6 | Confident | 84.9 | Confident | 94 Ų | 94 | 54.3 Ų | 54.3 | 48% | 0.482 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -79.9 | -37.6 | 176.1 | -62.1 | 163.2 | 0 | 0 | 0 | 112.1 | V56 I57 W58 P62 L124 | V56-I60 HydrophobicContact CG1-CD1 3.68Å; V56-I60 VanDerWaalsContact O-CG1 3.31Å; V56-I60 WeakPolarHBondContact O-CG1 3.3Å; V56-I60 PolarHBondContact O-N 3.2Å; I57-I60 PolarHBondContact O-N 2.91Å; W58-I60 VanDerWaalsContact C-N 3.32Å; I60-P62 VanDerWaalsContact C-N 3.26Å; I60-P62 WeakPolarHBondContact O-CD 3.35Å; I60-L124 HydrophobicContact CB-CD1 4.13Å; I60-L124 HydrophobicContact CG1-CD1 3.49Å; I60-L124 VanDerWaalsContact CG1-CD1 3.49Å |
| 61 | A | 83.2 | Confident | 84.8 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 29.9 | -172 | 0 | 0 | 0 | 0 | 0 | 114.8 | I57 L63 | I57-A61 WeakPolarHBondContact O-CB 3.24Å; I57-A61 PolarHBondContact O-N 3.45Å; A61-L63 HydrophobicContact CB-CD1 4.41Å; A61-L63 PolarHBondContact O-N 3.17Å |
| 62 | P | 72 | Confident | 84.7 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 34% | 0.344 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -9.8 | 62.9 | -144.4 | 25.8 | -39.7 | 0 | 0 | 0 | 115.8 | I60 K64 Y121 H125 | I60-P62 VanDerWaalsContact C-N 3.26Å; I60-P62 WeakPolarHBondContact O-CD 3.35Å; P62-K64 PolarHBondContact O-N 3.16Å; P62-Y121 HydrophobicContact CB-CD2 4.27Å; P62-Y121 HydrophobicContact CB-CE2 3.7Å; P62-H125 VanDerWaalsContact CB-NE2 3.33Å; P62-H125 WeakPolarHBondContact CB-NE2 3.35Å; P62-H125 VanDerWaalsContact CD-NE2 3.32Å; P62-H125 WeakPolarHBondContact CD-NE2 3.27Å; P62-H125 VanDerWaalsContact CG-NE2 3.31Å; P62-H125 WeakPolarHBondContact CG-NE2 3.13Å |
| 63 | L | 73 | Confident | 84.5 | Confident | 51 Ų | 51 | 54.1 Ų | 54.1 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | trans | -67.6 | 129.6 | 173.1 | -81.9 | 161 | 0 | 0 | 0 | 106.8 | W58 A61 W117 | W58-L63 HydrophobicContact CD2-CD1 3.44Å; W58-L63 VanDerWaalsContact CD2-CD1 3.44Å; W58-L63 HydrophobicContact CE3-CD1 3.98Å; W58-L63 HydrophobicContact CG-CB 4.04Å; W58-L63 HydrophobicContact CG-CD1 3.83Å; W58-L63 HydrophobicContact CH2-CD1 3.97Å; W58-L63 HydrophobicContact CZ2-CD1 3.45Å; W58-L63 VanDerWaalsContact CZ2-CD1 3.45Å; W58-L63 HydrophobicContact CZ3-CD1 4.21Å; W58-L63 PolarHBondContact O-N 3.48Å; A61-L63 HydrophobicContact CB-CD1 4.41Å; A61-L63 PolarHBondContact O-N 3.17Å; L63-W117 WeakPolarHBondContact O-CZ2 3.22Å; L63-W117 PolarHBondContact O-NE1 3.35Å | ||
| 64 | K | 71.4 | Confident | 84.4 | Confident | 136 Ų | 136 | 55 Ų | 55 | 59% | 0.591 | 31% | 0.307 | S | S | * | . | trans | -120.1 | 143.7 | -176.9 | -72.4 | 179.3 | 172.9 | 70.6 | 0 | 109.9 | P62 Y121 | P62-K64 PolarHBondContact O-N 3.16Å; K64-Y121 WeakPolarHBondContact CE-OH 3.36Å; K64-Y121 HydrophobicContact CG-CE2 4.24Å; K64-Y121 PolarHBondContact NZ-OH 2.91Å | ||
| 65 | G | 76.9 | Confident | 84.2 | Confident | 50 Ų | 50 | 57.1 Ų | 57.1 | 52% | 0.515 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 81.3 | -163.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L67 G68 | G65-L67 PolarHBondContact O-N 2.96Å; G65-G68 PolarHBondContact O-N 3.34Å |
| 66 | F | 84.4 | Confident | 83.9 | Confident | 161 Ų | 161 | 57.1 Ų | 57.1 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.9 | -29 | -169.7 | 175.7 | -101.6 | 0 | 0 | 0 | 114 | G68 I69 A70 | F66-G68 PolarHBondContact O-N 3.49Å; F66-I69 PolarHBondContact O-N 3.42Å; F66-I69 VanDerWaalsContact O-N 3.16Å; F66-A70 HydrophobicContact CD1-CB 4.23Å; F66-A70 HydrophobicContact CE1-CB 3.81Å; F66-A70 HydrophobicContact CZ-CB 4.1Å; F66-A70 WeakPolarHBondContact O-CB 3.48Å; F66-A70 PolarHBondContact O-N 3.37Å |
| 67 | L | 85.5 | Confident | 83.5 | Confident | 106 Ų | 106 | 57.3 Ų | 57.3 | 56% | 0.555 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.4 | -37.2 | -177 | -172.6 | 63.2 | 0 | 0 | 0 | 112 | G65 A70 I71 | G65-L67 PolarHBondContact O-N 2.96Å; L67-A70 PolarHBondContact O-N 3.5Å; L67-I71 HydrophobicContact CD1-CD1 4.22Å; L67-I71 HydrophobicContact CD1-CG1 4.47Å; L67-I71 HydrophobicContact CG-CD1 3.94Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.24Å; L67-I71 PolarHBondContact O-N 3.32Å |
| 68 | G | 84.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | W58 G65 F66 F72 | W58-G68 VanDerWaalsContact CD1-CA 3.49Å; G65-G68 PolarHBondContact O-N 3.34Å; F66-G68 PolarHBondContact O-N 3.49Å; G68-F72 WeakPolarHBondContact O-CB 3.48Å; G68-F72 PolarHBondContact O-N 3.5Å |
| 69 | I | 87.2 | Confident | 82.7 | Confident | 50 Ų | 50 | 57.1 Ų | 57.1 | 26% | 0.256 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 173.1 | -61.4 | 173.4 | 0 | 0 | 0 | 110.2 | F66 I71 F72 C73 F110 W117 | F66-I69 PolarHBondContact O-N 3.42Å; F66-I69 VanDerWaalsContact O-N 3.16Å; I69-I71 PolarHBondContact O-N 3.38Å; I69-F72 PolarHBondContact O-N 2.71Å; I69-C73 PolarHBondContact O-N 2.93Å; I69-C73 PolarHBondContact O-SG 3.44Å; I69-F110 HydrophobicContact CG2-CE2 3.79Å; I69-F110 HydrophobicContact CG2-CZ 4.07Å; I69-W117 HydrophobicContact CG1-CH2 4.25Å; I69-W117 HydrophobicContact CG1-CZ3 3.75Å |
| 70 | A | 88.1 | Confident | 82.1 | Confident | 27 Ų | 27 | 57.2 Ų | 57.2 | 22% | 0.223 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F66 L67 C73 V74 | F66-A70 HydrophobicContact CD1-CB 4.23Å; F66-A70 HydrophobicContact CE1-CB 3.81Å; F66-A70 HydrophobicContact CZ-CB 4.1Å; F66-A70 WeakPolarHBondContact O-CB 3.48Å; F66-A70 PolarHBondContact O-N 3.37Å; L67-A70 PolarHBondContact O-N 3.5Å; A70-C73 PolarHBondContact O-N 3.47Å; A70-V74 WeakPolarHBondContact O-CG2 3.24Å; A70-V74 PolarHBondContact O-N 2.89Å |
| 71 | I | 86.8 | Confident | 81.5 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 28% | 0.282 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 177.2 | -67 | 167.1 | 0 | 0 | 0 | 110.8 | W58 L67 I69 C73 V74 I75 | W58-I71 HydrophobicContact CH2-CG2 4.3Å; W58-I71 HydrophobicContact CZ2-CB 4.18Å; W58-I71 HydrophobicContact CZ2-CD1 3.89Å; W58-I71 HydrophobicContact CZ2-CG2 3.73Å; L67-I71 HydrophobicContact CD1-CD1 4.22Å; L67-I71 HydrophobicContact CD1-CG1 4.47Å; L67-I71 HydrophobicContact CG-CD1 3.94Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.24Å; L67-I71 PolarHBondContact O-N 3.32Å; I69-I71 PolarHBondContact O-N 3.38Å; I71-C73 VanDerWaalsContact C-N 3.35Å; I71-C73 PolarHBondContact O-N 2.94Å; I71-V74 PolarHBondContact O-N 2.85Å; I71-I75 HydrophobicContact CG2-CD1 3.62Å; I71-I75 HydrophobicContact CG2-CG1 4.23Å; I71-I75 WeakPolarHBondContact O-CG1 3.09Å; I71-I75 PolarHBondContact O-N 3.39Å |
| 72 | F | 86.8 | Confident | 81 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.009 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.2 | -47.8 | 174.2 | 172.7 | -93.3 | 0 | 0 | 0 | 111.5 | A51 L54 G68 I69 V74 I75 N76 F110 F113 | A51-F72 HydrophobicContact CB-CE2 3.96Å; A51-F72 HydrophobicContact CB-CZ 4.33Å; L54-F72 HydrophobicContact CB-CD2 4.44Å; L54-F72 HydrophobicContact CD1-CD2 3.76Å; L54-F72 HydrophobicContact CD1-CE2 4.4Å; G68-F72 WeakPolarHBondContact O-CB 3.48Å; G68-F72 PolarHBondContact O-N 3.5Å; I69-F72 PolarHBondContact O-N 2.71Å; F72-V74 VanDerWaalsContact C-N 3.34Å; F72-V74 PolarHBondContact O-N 3.38Å; F72-I75 PolarHBondContact O-N 2.8Å; F72-N76 HydrophobicContact CE1-CB 4.19Å; F72-N76 HydrophobicContact CE2-CB 4.44Å; F72-N76 HydrophobicContact CZ-CB 4.14Å; F72-N76 WeakPolarHBondContact CZ-ND2 3.48Å; F72-N76 WeakPolarHBondContact O-CB 3.38Å; F72-N76 PolarHBondContact O-N 3.15Å; F72-F110 AromaticContact CD1-CD2 3.8Å; F72-F110 HydrophobicContact CD1-CD2 3.8Å; F72-F110 HydrophobicContact CD1-CE2 4.49Å; F72-F110 HydrophobicContact CE1-CB 3.95Å; F72-F110 AromaticContact CE1-CD2 3.72Å; F72-F110 HydrophobicContact CE1-CD2 3.72Å; F72-F110 HydrophobicContact CE1-CG 4.34Å; F72-F113 HydrophobicContact CB-CD1 4.13Å; F72-F113 HydrophobicContact CB-CD2 4.49Å; F72-F113 HydrophobicContact CB-CE1 3.83Å; F72-F113 HydrophobicContact CB-CE2 4.23Å; F72-F113 HydrophobicContact CB-CG 4.44Å; F72-F113 HydrophobicContact CB-CZ 3.89Å; F72-F113 HydrophobicContact CD1-CD1 4.02Å; F72-F113 HydrophobicContact CD1-CE1 4.47Å; F72-F113 HydrophobicContact CD1-CG 4.33Å; F72-F113 HydrophobicContact CD2-CB 3.84Å; F72-F113 AromaticContact CD2-CD1 3.93Å; F72-F113 HydrophobicContact CD2-CD1 3.93Å; F72-F113 AromaticContact CD2-CD2 3.61Å; F72-F113 HydrophobicContact CD2-CD2 3.61Å; F72-F113 HydrophobicContact CD2-CE1 4.4Å; F72-F113 HydrophobicContact CD2-CE2 4.13Å; F72-F113 AromaticContact CD2-CG 3.49Å; F72-F113 HydrophobicContact CD2-CG 3.49Å; F72-F113 VanDerWaalsContact CD2-CG 3.49Å; F72-F113 HydrophobicContact CD2-CZ 4.49Å; F72-F113 HydrophobicContact CE1-CB 4.37Å; F72-F113 HydrophobicContact CE1-CD1 4.46Å; F72-F113 HydrophobicContact CE2-CB 3.53Å; F72-F113 HydrophobicContact CE2-CD1 4.39Å; F72-F113 HydrophobicContact CE2-CD2 4.12Å; F72-F113 AromaticContact CE2-CG 3.76Å; F72-F113 HydrophobicContact CE2-CG 3.76Å; F72-F113 HydrophobicContact CG-CB 4.39Å; F72-F113 AromaticContact CG-CD1 3.72Å; F72-F113 HydrophobicContact CG-CD1 3.72Å; F72-F113 HydrophobicContact CG-CD2 4.15Å; F72-F113 AromaticContact CG-CE1 3.97Å; F72-F113 HydrophobicContact CG-CE1 3.97Å; F72-F113 HydrophobicContact CG-CE2 4.38Å; F72-F113 AromaticContact CG-CG 3.81Å; F72-F113 HydrophobicContact CG-CG 3.81Å; F72-F113 HydrophobicContact CG-CZ 4.29Å; F72-F113 HydrophobicContact CZ-CB 3.8Å; F72-F113 HydrophobicContact CZ-CG 4.27Å |
| 73 | C | 87.8 | Confident | 81.1 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 27% | 0.27 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 178.6 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | I69 A70 I71 A77 | I69-C73 PolarHBondContact O-N 2.93Å; I69-C73 PolarHBondContact O-SG 3.44Å; A70-C73 PolarHBondContact O-N 3.47Å; I71-C73 VanDerWaalsContact C-N 3.35Å; I71-C73 PolarHBondContact O-N 2.94Å; C73-A77 VanDerWaalsContact O-CB 3.22Å; C73-A77 WeakPolarHBondContact O-CB 3.41Å; C73-A77 PolarHBondContact O-N 2.98Å |
| 74 | V | 87.5 | Confident | 80.8 | Confident | 108 Ų | 108 | 57.6 Ų | 57.6 | 66% | 0.655 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.8 | -45.9 | 178.6 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | A70 I71 F72 G78 | A70-V74 WeakPolarHBondContact O-CG2 3.24Å; A70-V74 PolarHBondContact O-N 2.89Å; I71-V74 PolarHBondContact O-N 2.85Å; F72-V74 VanDerWaalsContact C-N 3.34Å; F72-V74 PolarHBondContact O-N 3.38Å; V74-G78 WeakPolarHBondContact O-CA 3.47Å; V74-G78 PolarHBondContact O-N 3.08Å |
| 75 | I | 86.1 | Confident | 80.5 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.7 | -44.8 | 179.1 | -65.7 | 172 | 0 | 0 | 0 | 110.4 | I50 L54 I71 F72 G78 L79 | I50-I75 HydrophobicContact CG2-CG2 4.33Å; L54-I75 HydrophobicContact CD1-CB 4.18Å; L54-I75 HydrophobicContact CD1-CD1 4.09Å; L54-I75 HydrophobicContact CD1-CG2 3.98Å; L54-I75 HydrophobicContact CD2-CD1 3.94Å; I71-I75 HydrophobicContact CG2-CD1 3.62Å; I71-I75 HydrophobicContact CG2-CG1 4.23Å; I71-I75 WeakPolarHBondContact O-CG1 3.09Å; I71-I75 PolarHBondContact O-N 3.39Å; F72-I75 PolarHBondContact O-N 2.8Å; I75-G78 PolarHBondContact O-N 2.97Å; I75-L79 WeakPolarHBondContact O-CB 3.4Å; I75-L79 PolarHBondContact O-N 3.36Å |
| 76 | N | 84.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -43.4 | -176.9 | -162.1 | -74 | 0 | 0 | 0 | 111.5 | R47 F72 L80 S109 | R47-N76 PolarHBondContact NH1-OD1 2.69Å; F72-N76 HydrophobicContact CE1-CB 4.19Å; F72-N76 HydrophobicContact CE2-CB 4.44Å; F72-N76 HydrophobicContact CZ-CB 4.14Å; F72-N76 WeakPolarHBondContact CZ-ND2 3.48Å; F72-N76 WeakPolarHBondContact O-CB 3.38Å; F72-N76 PolarHBondContact O-N 3.15Å; N76-L80 WeakPolarHBondContact O-CD1 3.17Å; N76-S109 PolarHBondContact ND2-OG 3.02Å |
| 77 | A | 81.1 | Confident | 78.4 | Confident | 42 Ų | 42 | 53 Ų | 53 | 35% | 0.347 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71.9 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C73 Y81 | C73-A77 VanDerWaalsContact O-CB 3.22Å; C73-A77 WeakPolarHBondContact O-CB 3.41Å; C73-A77 PolarHBondContact O-N 2.98Å; A77-Y81 VanDerWaalsContact O-CB 3.29Å; A77-Y81 WeakPolarHBondContact O-CB 3.3Å; A77-Y81 PolarHBondContact O-N 2.95Å |
| 78 | G | 80.7 | Confident | 77.1 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 32% | 0.32 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.3 | -43.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V74 I75 L80 Y81 V82 | V74-G78 WeakPolarHBondContact O-CA 3.47Å; V74-G78 PolarHBondContact O-N 3.08Å; I75-G78 PolarHBondContact O-N 2.97Å; G78-L80 VanDerWaalsContact C-N 3.34Å; G78-L80 PolarHBondContact O-N 3.34Å; G78-Y81 PolarHBondContact O-N 2.83Å; G78-V82 WeakPolarHBondContact O-CB 3.01Å; G78-V82 VanDerWaalsContact O-CG2 3.31Å; G78-V82 WeakPolarHBondContact O-CG2 3.22Å; G78-V82 PolarHBondContact O-N 2.6Å |
| 79 | L | 77.7 | Confident | 75.7 | Confident | 81 Ų | 81 | 56.1 Ų | 56.1 | 42% | 0.424 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 180 | -157.4 | 87.5 | 0 | 0 | 0 | 111.4 | L46 I50 I75 Y83 | L46-L79 HydrophobicContact CD2-CD2 4.08Å; I50-L79 HydrophobicContact CD1-CD2 3.16Å; I50-L79 HydrophobicContact CG1-CD2 4.11Å; I75-L79 WeakPolarHBondContact O-CB 3.4Å; I75-L79 PolarHBondContact O-N 3.36Å; L79-Y83 VanDerWaalsContact O-CB 3.25Å; L79-Y83 WeakPolarHBondContact O-CB 3.31Å; L79-Y83 PolarHBondContact O-N 3.31Å |
| 80 | L | 73.6 | Confident | 74.1 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 173.3 | -100.4 | 89.3 | 0 | 0 | 0 | 112.4 | I43 R47 N76 G78 V82 Y83 F84 | I43-L80 HydrophobicContact CG2-CD2 3.63Å; I43-L80 HydrophobicContact CG2-CG 4.32Å; R47-L80 HydrophobicContact CG-CD1 3.56Å; N76-L80 WeakPolarHBondContact O-CD1 3.17Å; G78-L80 VanDerWaalsContact C-N 3.34Å; G78-L80 PolarHBondContact O-N 3.34Å; L80-V82 VanDerWaalsContact C-N 3.3Å; L80-V82 PolarHBondContact O-N 3.28Å; L80-Y83 PolarHBondContact O-N 2.91Å; L80-F84 HydrophobicContact CB-CD2 4.24Å; L80-F84 HydrophobicContact CB-CE2 4.09Å; L80-F84 HydrophobicContact CD2-CD2 4.41Å; L80-F84 HydrophobicContact CD2-CE2 3.5Å; L80-F84 VanDerWaalsContact CD2-CE2 3.5Å; L80-F84 HydrophobicContact CD2-CZ 3.96Å; L80-F84 HydrophobicContact CG-CE2 4.14Å; L80-F84 WeakPolarHBondContact O-CB 3.16Å; L80-F84 WeakPolarHBondContact O-CD2 3.38Å; L80-F84 WeakPolarHBondContact O-CG 3.45Å; L80-F84 PolarHBondContact O-N 3.25Å |
| 81 | Y | 73.3 | Confident | 72.3 | Confident | 144 Ų | 144 | 59.4 Ų | 59.4 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -57.6 | -46.1 | 176.6 | -177.6 | -99.1 | 0 | 0 | 0 | 111.2 | A77 G78 F84 S85 | A77-Y81 VanDerWaalsContact O-CB 3.29Å; A77-Y81 WeakPolarHBondContact O-CB 3.3Å; A77-Y81 PolarHBondContact O-N 2.95Å; G78-Y81 PolarHBondContact O-N 2.83Å; Y81-F84 PolarHBondContact O-N 2.9Å; Y81-S85 WeakPolarHBondContact O-CB 3.33Å; Y81-S85 PolarHBondContact O-N 3.48Å |
| 82 | V | 73.3 | Confident | 70.6 | Confident | 84 Ų | 84 | 63 Ų | 63 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.9 | 172 | 0 | 0 | 0 | 0 | 111.4 | G78 L80 S86 | G78-V82 WeakPolarHBondContact O-CB 3.01Å; G78-V82 VanDerWaalsContact O-CG2 3.31Å; G78-V82 WeakPolarHBondContact O-CG2 3.22Å; G78-V82 PolarHBondContact O-N 2.6Å; L80-V82 VanDerWaalsContact C-N 3.3Å; L80-V82 PolarHBondContact O-N 3.28Å; V82-S86 WeakPolarHBondContact O-CA 3.3Å; V82-S86 WeakPolarHBondContact O-CB 3.34Å; V82-S86 PolarHBondContact O-N 3.45Å |
| 83 | Y | 72.4 | Confident | 68.7 | Low | 23 Ų | 23 | 71.7 Ų | 71.7 | 9% | 0.09 | 39% | 0.385 | C | S | . | . | I | π-helix | trans | -63.9 | -46.3 | 177.9 | -176.6 | -106.4 | 0 | 0 | 0 | 111.8 | A26 F39 I43 L79 L80 F87 Q88 | A26-Y83 PolarHBondContact O-OH 3.36Å; F39-Y83 AromaticContact CE2-CE1 3.91Å; F39-Y83 HydrophobicContact CE2-CE1 3.91Å; F39-Y83 HydrophobicContact CZ-CE1 4.37Å; I43-Y83 HydrophobicContact CG1-CE1 4.38Å; L79-Y83 VanDerWaalsContact O-CB 3.25Å; L79-Y83 WeakPolarHBondContact O-CB 3.31Å; L79-Y83 PolarHBondContact O-N 3.31Å; L80-Y83 PolarHBondContact O-N 2.91Å; Y83-F87 HydrophobicContact CD2-CB 3.91Å; Y83-F87 HydrophobicContact CD2-CG 4.23Å; Y83-F87 HydrophobicContact CE2-CB 4.07Å; Y83-F87 HydrophobicContact CE2-CG 4.35Å; Y83-F87 WeakPolarHBondContact O-CA 3.47Å; Y83-F87 VanDerWaalsContact O-CB 3.23Å; Y83-F87 WeakPolarHBondContact O-CB 3.29Å; Y83-F87 PolarHBondContact O-N 3.32Å; Y83-Q88 PolarHBondContact O-N 3.45Å |
| 84 | F | 67.1 | Low | 67 | Low | 6 Ų | 6 | 76 Ų | 76 | 3% | 0.026 | 40% | 0.401 | C | S | . | . | I | π-helix | trans | -66.5 | -45.3 | 176.1 | -69 | -57.5 | 0 | 0 | 0 | 112.9 | F39 I43 L80 Y81 Q89 I90 T98 L101 | F39-F84 HydrophobicContact CE1-CD1 4.32Å; F39-F84 AromaticContact CE1-CE1 3.6Å; F39-F84 HydrophobicContact CE1-CE1 3.6Å; F39-F84 AromaticContact CZ-CD1 3.91Å; F39-F84 HydrophobicContact CZ-CD1 3.91Å; F39-F84 AromaticContact CZ-CE1 3.42Å; F39-F84 HydrophobicContact CZ-CE1 3.42Å; F39-F84 VanDerWaalsContact CZ-CE1 3.42Å; I43-F84 HydrophobicContact CD1-CE1 3.55Å; I43-F84 HydrophobicContact CD1-CZ 3.55Å; L80-F84 HydrophobicContact CB-CD2 4.24Å; L80-F84 HydrophobicContact CB-CE2 4.09Å; L80-F84 HydrophobicContact CD2-CD2 4.41Å; L80-F84 HydrophobicContact CD2-CE2 3.5Å; L80-F84 VanDerWaalsContact CD2-CE2 3.5Å; L80-F84 HydrophobicContact CD2-CZ 3.96Å; L80-F84 HydrophobicContact CG-CE2 4.14Å; L80-F84 WeakPolarHBondContact O-CB 3.16Å; L80-F84 WeakPolarHBondContact O-CD2 3.38Å; L80-F84 WeakPolarHBondContact O-CG 3.45Å; L80-F84 PolarHBondContact O-N 3.25Å; Y81-F84 PolarHBondContact O-N 2.9Å; F84-Q89 PolarHBondContact O-N 2.86Å; F84-I90 HydrophobicContact CD1-CD1 4.04Å; F84-I90 HydrophobicContact CE1-CD1 4.47Å; F84-T98 HydrophobicContact CB-CG2 3.5Å; F84-T98 VanDerWaalsContact CB-CG2 3.5Å; F84-T98 HydrophobicContact CD1-CG2 4.32Å; F84-T98 HydrophobicContact CD2-CG2 3.22Å; F84-T98 HydrophobicContact CE2-CG2 3.9Å; F84-T98 HydrophobicContact CG-CG2 3.47Å; F84-T98 VanDerWaalsContact CG-CG2 3.47Å; F84-L101 HydrophobicContact CE1-CB 4.47Å; F84-L101 HydrophobicContact CE1-CD2 3.84Å; F84-L101 HydrophobicContact CE2-CB 4.35Å; F84-L101 HydrophobicContact CZ-CB 3.76Å; F84-L101 HydrophobicContact CZ-CD2 3.86Å; F84-L101 HydrophobicContact CZ-CG 4.49Å |
| 85 | S | 65.3 | Low | 65.3 | Low | 73 Ų | 73 | 73.8 Ų | 73.8 | 51% | 0.51 | 38% | 0.381 | S | S | . | . | I | π-helix | trans | -71.9 | -41.6 | -176.6 | -178.6 | 0 | 0 | 0 | 0 | 112.5 | Y81 | Y81-S85 WeakPolarHBondContact O-CB 3.33Å; Y81-S85 PolarHBondContact O-N 3.48Å |
| 86 | S | 60.2 | Low | 63.9 | Low | 83 Ų | 83 | 73.6 Ų | 73.6 | 58% | 0.58 | 39% | 0.394 | S | S | * | . | I | π-helix | trans | -100.3 | -32 | -171.5 | -167.6 | 0 | 0 | 0 | 0 | 114.5 | V82 | V82-S86 WeakPolarHBondContact O-CA 3.3Å; V82-S86 WeakPolarHBondContact O-CB 3.34Å; V82-S86 PolarHBondContact O-N 3.45Å |
| 87 | F | 57.8 | Low | 62.8 | Low | 96 Ų | 96 | 74.5 Ų | 74.5 | 42% | 0.421 | 40% | 0.404 | S | S | . | . | I | π-helix | trans | -100.4 | -34.4 | -174.9 | -98.2 | -95.5 | 0 | 0 | 0 | 113.5 | G29 Y83 | G29-F87 CarbonylContact C-O 3.46Å; G29-F87 WeakPolarHBondContact CA-O 3.34Å; Y83-F87 HydrophobicContact CD2-CB 3.91Å; Y83-F87 HydrophobicContact CD2-CG 4.23Å; Y83-F87 HydrophobicContact CE2-CB 4.07Å; Y83-F87 HydrophobicContact CE2-CG 4.35Å; Y83-F87 WeakPolarHBondContact O-CA 3.47Å; Y83-F87 VanDerWaalsContact O-CB 3.23Å; Y83-F87 WeakPolarHBondContact O-CB 3.29Å; Y83-F87 PolarHBondContact O-N 3.32Å |
| 88 | Q | 56.8 | Low | 61.8 | Low | 24 Ų | 24 | 73.7 Ų | 73.7 | 11% | 0.112 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -102.9 | -15.2 | -171 | -136.8 | 83.5 | -45.6 | 0 | 0 | 114.8 | F39 Y83 I90 | F39-Q88 HydrophobicContact CE2-CG 4.41Å; F39-Q88 HydrophobicContact CZ-CG 4.1Å; F39-Q88 VanDerWaalsContact CZ-NE2 3.27Å; Y83-Q88 PolarHBondContact O-N 3.45Å; Q88-I90 HydrophobicContact CB-CD1 3.84Å; Q88-I90 HydrophobicContact CB-CG1 3.84Å; Q88-I90 HydrophobicContact CG-CD1 3.65Å; Q88-I90 HydrophobicContact CG-CG1 3.79Å; Q88-I90 PolarHBondContact O-N 3.29Å |
| 89 | Q | 55.6 | Low | 60.8 | Low | 147 Ų | 147 | 80.7 Ų | 80.7 | 69% | 0.687 | 41% | 0.411 | S | S | * | . | trans | 37 | 43.4 | -174 | -65.8 | -151.3 | -23.6 | 0 | 0 | 113 | F84 D91 | F84-Q89 PolarHBondContact O-N 2.86Å; Q89-D91 PolarHBondContact O-N 3.1Å; Q89-D91 VanDerWaalsContact O-N 3.14Å | ||
| 90 | I | 54.3 | Low | 60.4 | Low | 41 Ų | 41 | 82.2 Ų | 82.2 | 21% | 0.21 | 42% | 0.416 | C | S | . | . | trans | -69.9 | 114.3 | 177.4 | -69.2 | 164.1 | 0 | 0 | 0 | 106.4 | F39 F84 Q88 E92 Y95 | F39-I90 HydrophobicContact CE1-CD1 3.85Å; F39-I90 HydrophobicContact CZ-CD1 4.06Å; F84-I90 HydrophobicContact CD1-CD1 4.04Å; F84-I90 HydrophobicContact CE1-CD1 4.47Å; Q88-I90 HydrophobicContact CB-CD1 3.84Å; Q88-I90 HydrophobicContact CB-CG1 3.84Å; Q88-I90 HydrophobicContact CG-CD1 3.65Å; Q88-I90 HydrophobicContact CG-CG1 3.79Å; Q88-I90 PolarHBondContact O-N 3.29Å; I90-E92 PolarHBondContact O-N 3.03Å; I90-E92 VanDerWaalsContact O-N 3.15Å; I90-Y95 HydrophobicContact CG2-CD2 4.26Å | ||
| 91 | D | 48.9 | Very low | 60 | Low | 105 Ų | 105 | 82.3 Ų | 82.3 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | trans | -57.3 | 115.7 | 165.6 | -125 | -25 | 0 | 0 | 0 | 106.8 | Q89 E93 E94 | Q89-D91 PolarHBondContact O-N 3.1Å; Q89-D91 VanDerWaalsContact O-N 3.14Å; D91-E93 PolarHBondContact O-N 3.34Å; D91-E94 PolarHBondContact O-N 2.97Å; D91-E94 VanDerWaalsContact O-N 3.15Å | ||
| 92 | E | 51.4 | Low | 59.7 | Low | 129 Ų | 129 | 76.5 Ų | 76.5 | 60% | 0.603 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -16.5 | -169.7 | -69.1 | -174.4 | 147.7 | 0 | 0 | 113.6 | I90 G97 | I90-E92 PolarHBondContact O-N 3.03Å; I90-E92 VanDerWaalsContact O-N 3.15Å; E92-G97 PolarHBondContact O-N 3.47Å |
| 93 | E | 48.3 | Very low | 59.6 | Low | 186 Ų | 186 | 78.2 Ų | 78.2 | 87% | 0.869 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -21.9 | -178.6 | -74.8 | -173.5 | 148.8 | 0 | 0 | 115 | D91 | D91-E93 PolarHBondContact O-N 3.34Š|
| 94 | E | 50.8 | Low | 59.6 | Low | 129 Ų | 129 | 82.1 Ų | 82.1 | 60% | 0.603 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -15.4 | -168.8 | -157.5 | 162.4 | 174 | 0 | 0 | 114.7 | K8 D91 | K8-E94 IonicContact NZ-OE1 3.99Å; K8-E94 PolarHBondContact NZ-OE1 3.44Å; K8-E94 IonicContact NZ-OE2 2.69Å; K8-E94 PolarHBondContact NZ-OE2 3.45Å; D91-E94 PolarHBondContact O-N 2.97Å; D91-E94 VanDerWaalsContact O-N 3.15Å |
| 95 | Y | 52.3 | Low | 60 | Low | 62 Ų | 62 | 82.8 Ų | 82.8 | 24% | 0.243 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 16.6 | -175.4 | -98 | -92.6 | 0 | 0 | 0 | 115.3 | K36 I90 G97 L101 | K36-Y95 HydrophobicContact CB-CE1 4Å; K36-Y95 HydrophobicContact CD-CD1 4.27Å; K36-Y95 HydrophobicContact CD-CE1 4.03Å; K36-Y95 HydrophobicContact CG-CD1 4.44Å; K36-Y95 HydrophobicContact CG-CE1 3.84Å; I90-Y95 HydrophobicContact CG2-CD2 4.26Å; Y95-G97 PolarHBondContact O-N 3.19Å; Y95-L101 HydrophobicContact CD1-CD1 4.43Å |
| 96 | G | 57.1 | Low | 60.8 | Low | 57 Ų | 57 | 81.9 Ų | 81.9 | 59% | 0.588 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 10.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 97 | G | 60.3 | Low | 62.1 | Low | 19 Ų | 19 | 84.6 Ų | 84.6 | 20% | 0.196 | 42% | 0.417 | C | S | . | . | trans | 89.6 | 136.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E92 Y95 W99 E100 | E92-G97 PolarHBondContact O-N 3.47Å; Y95-G97 PolarHBondContact O-N 3.19Å; G97-W99 PolarHBondContact O-N 3Å; G97-E100 PolarHBondContact O-N 3.13Å | ||
| 98 | T | 59.9 | Low | 63.5 | Low | 25 Ų | 25 | 83.1 Ų | 83.1 | 15% | 0.153 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -47.9 | -22.5 | 173.8 | -39.7 | 0 | 0 | 0 | 0 | 113.3 | F84 T102 | F84-T98 HydrophobicContact CB-CG2 3.5Å; F84-T98 VanDerWaalsContact CB-CG2 3.5Å; F84-T98 HydrophobicContact CD1-CG2 4.32Å; F84-T98 HydrophobicContact CD2-CG2 3.22Å; F84-T98 HydrophobicContact CE2-CG2 3.9Å; F84-T98 HydrophobicContact CG-CG2 3.47Å; F84-T98 VanDerWaalsContact CG-CG2 3.47Å; T98-T102 VanDerWaalsContact O-CB 3.3Å; T98-T102 WeakPolarHBondContact O-CB 3.33Å; T98-T102 PolarHBondContact O-N 2.78Å; T98-T102 PolarHBondContact O-OG1 3.33Å |
| 99 | W | 61.6 | Low | 65 | Low | 179 Ų | 179 | 82 Ų | 82 | 68% | 0.678 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.7 | -37.4 | 179.1 | -172.2 | -123.9 | 0 | 0 | 0 | 114.7 | G97 T102 K103 | G97-W99 PolarHBondContact O-N 3Å; W99-T102 PolarHBondContact O-N 3.48Å; W99-K103 WeakPolarHBondContact O-CG 3.35Å; W99-K103 PolarHBondContact O-N 3.42Å; W99-K103 VanDerWaalsContact O-N 3.16Å |
| 100 | E | 68.3 | Low | 66.6 | Low | 112 Ų | 112 | 77.3 Ų | 77.3 | 52% | 0.523 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.5 | -47.8 | 177 | -96.1 | -170.5 | 142.9 | 0 | 0 | 110.9 | G97 T102 K103 E104 | G97-E100 PolarHBondContact O-N 3.13Å; E100-T102 PolarHBondContact O-N 3.24Å; E100-K103 WeakPolarHBondContact O-CB 3.43Å; E100-K103 PolarHBondContact O-N 3.01Å; E100-K103 VanDerWaalsContact O-N 3.09Å; E100-E104 PolarHBondContact O-N 2.88Å |
| 101 | L | 64.6 | Low | 68.4 | Low | 5 Ų | 5 | 77.8 Ų | 77.8 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.7 | -34.5 | 174.9 | -85.6 | 85.3 | 0 | 0 | 0 | 112.3 | F39 L40 I43 R47 F84 Y95 K103 E104 | F39-L101 HydrophobicContact CD1-CD2 3.87Å; F39-L101 HydrophobicContact CE1-CD2 3.57Å; L40-L101 HydrophobicContact CD2-CD2 3.93Å; L40-L101 HydrophobicContact CD2-CG 3.87Å; I43-L101 HydrophobicContact CD1-CD2 4.09Å; R47-L101 PolarHBondContact NH2-O 3.43Å; F84-L101 HydrophobicContact CE1-CB 4.47Å; F84-L101 HydrophobicContact CE1-CD2 3.84Å; F84-L101 HydrophobicContact CE2-CB 4.35Å; F84-L101 HydrophobicContact CZ-CB 3.76Å; F84-L101 HydrophobicContact CZ-CD2 3.86Å; F84-L101 HydrophobicContact CZ-CG 4.49Å; Y95-L101 HydrophobicContact CD1-CD1 4.43Å; L101-K103 VanDerWaalsContact C-N 3.27Å; L101-K103 PolarHBondContact O-N 3.45Å; L101-E104 PolarHBondContact O-N 3.29Å |
| 102 | T | 67.6 | Low | 70.5 | Confident | 22 Ų | 22 | 74.9 Ų | 74.9 | 14% | 0.135 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -69.6 | -28.2 | 178.5 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | R47 T98 W99 E100 | R47-T102 VanDerWaalsContact NH2-C 3.28Å; R47-T102 VanDerWaalsContact NH2-CA 3.32Å; R47-T102 PolarHBondContact NH2-O 3.38Å; T98-T102 VanDerWaalsContact O-CB 3.3Å; T98-T102 WeakPolarHBondContact O-CB 3.33Å; T98-T102 PolarHBondContact O-N 2.78Å; T98-T102 PolarHBondContact O-OG1 3.33Å; W99-T102 PolarHBondContact O-N 3.48Å; E100-T102 PolarHBondContact O-N 3.24Å |
| 103 | K | 71.8 | Confident | 72.4 | Confident | 120 Ų | 120 | 68.8 Ų | 68.8 | 52% | 0.522 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -76.8 | -38.3 | 172.5 | -71.9 | 172.6 | 178.6 | 174.3 | 0 | 112 | W99 E100 L101 G105 F106 | W99-K103 WeakPolarHBondContact O-CG 3.35Å; W99-K103 PolarHBondContact O-N 3.42Å; W99-K103 VanDerWaalsContact O-N 3.16Å; E100-K103 WeakPolarHBondContact O-CB 3.43Å; E100-K103 PolarHBondContact O-N 3.01Å; E100-K103 VanDerWaalsContact O-N 3.09Å; L101-K103 VanDerWaalsContact C-N 3.27Å; L101-K103 PolarHBondContact O-N 3.45Å; K103-G105 PolarHBondContact O-N 2.93Å; K103-F106 PolarHBondContact O-N 3.42Å |
| 104 | E | 72 | Confident | 74.4 | Confident | 104 Ų | 104 | 62.2 Ų | 62.2 | 49% | 0.486 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 124.4 | 173.9 | -114.1 | 179.3 | 157 | 0 | 0 | 110.5 | R47 E100 L101 F106 | R47-E104 PolarHBondContact NH2-O 3.24Å; E100-E104 PolarHBondContact O-N 2.88Å; L101-E104 PolarHBondContact O-N 3.29Å; E104-F106 VanDerWaalsContact C-N 3.31Å; E104-F106 PolarHBondContact O-N 3.39Å |
| 105 | G | 74.8 | Confident | 76.4 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -4.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | K103 T108 S109 | K103-G105 PolarHBondContact O-N 2.93Å; G105-T108 WeakPolarHBondContact CA-OG1 3.33Å; G105-T108 PolarHBondContact O-OG1 2.95Å; G105-S109 WeakPolarHBondContact O-CB 3.18Å; G105-S109 PolarHBondContact O-N 3.33Å; G105-S109 VanDerWaalsContact O-N 3.15Å; G105-S109 PolarHBondContact O-OG 3.47Å |
| 106 | F | 82.9 | Confident | 78.4 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.5 | -49.2 | 175.1 | 178.4 | -98.3 | 0 | 0 | 0 | 111.6 | K103 E104 T108 S109 F110 | K103-F106 PolarHBondContact O-N 3.42Å; E104-F106 VanDerWaalsContact C-N 3.31Å; E104-F106 PolarHBondContact O-N 3.39Å; F106-T108 VanDerWaalsContact C-N 3.32Å; F106-T108 PolarHBondContact O-N 3.06Å; F106-S109 PolarHBondContact O-N 2.8Å; F106-S109 PolarHBondContact O-OG 2.89Å; F106-S109 VanDerWaalsContact O-OG 3.08Å; F106-F110 VanDerWaalsContact O-CB 3.24Å; F106-F110 WeakPolarHBondContact O-CB 3.37Å; F106-F110 PolarHBondContact O-N 3.35Å |
| 107 | M | 86.4 | Confident | 79.9 | Confident | 139 Ų | 139 | 56 Ų | 56 | 69% | 0.685 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.6 | -37 | -177.3 | -66 | -66.3 | -92.7 | 0 | 0 | 112.4 | A111 | M107-A111 WeakPolarHBondContact O-CB 3.26Å; M107-A111 PolarHBondContact O-N 2.92Å |
| 108 | T | 88.8 | Confident | 81.3 | Confident | 66 Ų | 66 | 60 Ų | 60 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.7 | -43.8 | 178.5 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | G105 F106 A111 L112 | G105-T108 WeakPolarHBondContact CA-OG1 3.33Å; G105-T108 PolarHBondContact O-OG1 2.95Å; F106-T108 VanDerWaalsContact C-N 3.32Å; F106-T108 PolarHBondContact O-N 3.06Å; T108-A111 PolarHBondContact O-N 2.87Å; T108-L112 PolarHBondContact O-N 3.32Å |
| 109 | S | 87.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.8 | -34.8 | 175.7 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | A51 N76 G105 F106 L112 F113 | A51-S109 VanDerWaalsContact CB-O 3.3Å; A51-S109 WeakPolarHBondContact CB-O 3.3Å; N76-S109 PolarHBondContact ND2-OG 3.02Å; G105-S109 WeakPolarHBondContact O-CB 3.18Å; G105-S109 PolarHBondContact O-N 3.33Å; G105-S109 VanDerWaalsContact O-N 3.15Å; G105-S109 PolarHBondContact O-OG 3.47Å; F106-S109 PolarHBondContact O-N 2.8Å; F106-S109 PolarHBondContact O-OG 2.89Å; F106-S109 VanDerWaalsContact O-OG 3.08Å; S109-L112 PolarHBondContact O-N 3.36Å; S109-F113 WeakPolarHBondContact O-CB 3.05Å; S109-F113 PolarHBondContact O-N 3.43Å |
| 110 | F | 89.4 | Confident | 84.1 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 172.7 | 179.7 | -120.1 | 0 | 0 | 0 | 112.2 | I69 F72 F106 L112 F113 L114 | I69-F110 HydrophobicContact CG2-CE2 3.79Å; I69-F110 HydrophobicContact CG2-CZ 4.07Å; F72-F110 AromaticContact CD1-CD2 3.8Å; F72-F110 HydrophobicContact CD1-CD2 3.8Å; F72-F110 HydrophobicContact CD1-CE2 4.49Å; F72-F110 HydrophobicContact CE1-CB 3.95Å; F72-F110 AromaticContact CE1-CD2 3.72Å; F72-F110 HydrophobicContact CE1-CD2 3.72Å; F72-F110 HydrophobicContact CE1-CG 4.34Å; F106-F110 VanDerWaalsContact O-CB 3.24Å; F106-F110 WeakPolarHBondContact O-CB 3.37Å; F106-F110 PolarHBondContact O-N 3.35Å; F110-L112 VanDerWaalsContact C-N 3.32Å; F110-L112 PolarHBondContact O-N 3.04Å; F110-F113 HydrophobicContact CD2-CD1 4.27Å; F110-F113 HydrophobicContact CE2-CD1 4.37Å; F110-F113 PolarHBondContact O-N 2.87Å; F110-L114 HydrophobicContact CD1-CD1 4.18Å; F110-L114 HydrophobicContact CD2-CG 4.44Å; F110-L114 HydrophobicContact CE1-CD1 3.64Å; F110-L114 HydrophobicContact CE1-CG 4.38Å; F110-L114 HydrophobicContact CE2-CD1 4.15Å; F110-L114 HydrophobicContact CE2-CD2 4.12Å; F110-L114 HydrophobicContact CE2-CG 4.03Å; F110-L114 HydrophobicContact CZ-CD1 3.63Å; F110-L114 HydrophobicContact CZ-CD2 4.16Å; F110-L114 HydrophobicContact CZ-CG 4.02Å; F110-L114 WeakPolarHBondContact O-CG 3.18Å; F110-L114 PolarHBondContact O-N 2.83Å |
| 111 | A | 91.8 | Very high | 84.9 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 41% | 0.413 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | M107 T108 L114 V115 | M107-A111 WeakPolarHBondContact O-CB 3.26Å; M107-A111 PolarHBondContact O-N 2.92Å; T108-A111 PolarHBondContact O-N 2.87Å; A111-L114 PolarHBondContact O-N 3.46Å; A111-V115 WeakPolarHBondContact O-CG2 3.33Å; A111-V115 PolarHBondContact O-N 2.94Å |
| 112 | L | 92.3 | Very high | 86 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 177.5 | -176.2 | 63.5 | 0 | 0 | 0 | 112.2 | Q48 I52 T108 S109 F110 L114 V115 V116 | Q48-L112 HydrophobicContact CB-CD2 4.4Å; Q48-L112 HydrophobicContact CG-CD2 3.46Å; Q48-L112 VanDerWaalsContact CG-CD2 3.46Å; I52-L112 HydrophobicContact CD1-CD2 3.99Å; I52-L112 HydrophobicContact CG1-CD2 3.71Å; I52-L112 HydrophobicContact CG1-CG 4.26Å; T108-L112 PolarHBondContact O-N 3.32Å; S109-L112 PolarHBondContact O-N 3.36Å; F110-L112 VanDerWaalsContact C-N 3.32Å; F110-L112 PolarHBondContact O-N 3.04Å; L112-L114 VanDerWaalsContact C-N 3.32Å; L112-L114 PolarHBondContact O-N 3.47Å; L112-V115 PolarHBondContact O-N 2.93Å; L112-V116 HydrophobicContact CD1-CG2 4.11Å; L112-V116 HydrophobicContact CG-CG2 4.29Å; L112-V116 WeakPolarHBondContact O-CG2 2.86Å; L112-V116 PolarHBondContact O-N 3.46Å |
| 113 | F | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55 | -48.2 | 174.9 | 160.6 | -105 | 0 | 0 | 0 | 111.3 | A51 L54 F72 S109 F110 V115 V116 W117 | A51-F113 HydrophobicContact CB-CB 3.97Å; L54-F113 HydrophobicContact CB-CD2 4.17Å; L54-F113 HydrophobicContact CB-CE2 4.22Å; F72-F113 HydrophobicContact CB-CD1 4.13Å; F72-F113 HydrophobicContact CB-CD2 4.49Å; F72-F113 HydrophobicContact CB-CE1 3.83Å; F72-F113 HydrophobicContact CB-CE2 4.23Å; F72-F113 HydrophobicContact CB-CG 4.44Å; F72-F113 HydrophobicContact CB-CZ 3.89Å; F72-F113 HydrophobicContact CD1-CD1 4.02Å; F72-F113 HydrophobicContact CD1-CE1 4.47Å; F72-F113 HydrophobicContact CD1-CG 4.33Å; F72-F113 HydrophobicContact CD2-CB 3.84Å; F72-F113 AromaticContact CD2-CD1 3.93Å; F72-F113 HydrophobicContact CD2-CD1 3.93Å; F72-F113 AromaticContact CD2-CD2 3.61Å; F72-F113 HydrophobicContact CD2-CD2 3.61Å; F72-F113 HydrophobicContact CD2-CE1 4.4Å; F72-F113 HydrophobicContact CD2-CE2 4.13Å; F72-F113 AromaticContact CD2-CG 3.49Å; F72-F113 HydrophobicContact CD2-CG 3.49Å; F72-F113 VanDerWaalsContact CD2-CG 3.49Å; F72-F113 HydrophobicContact CD2-CZ 4.49Å; F72-F113 HydrophobicContact CE1-CB 4.37Å; F72-F113 HydrophobicContact CE1-CD1 4.46Å; F72-F113 HydrophobicContact CE2-CB 3.53Å; F72-F113 HydrophobicContact CE2-CD1 4.39Å; F72-F113 HydrophobicContact CE2-CD2 4.12Å; F72-F113 AromaticContact CE2-CG 3.76Å; F72-F113 HydrophobicContact CE2-CG 3.76Å; F72-F113 HydrophobicContact CG-CB 4.39Å; F72-F113 AromaticContact CG-CD1 3.72Å; F72-F113 HydrophobicContact CG-CD1 3.72Å; F72-F113 HydrophobicContact CG-CD2 4.15Å; F72-F113 AromaticContact CG-CE1 3.97Å; F72-F113 HydrophobicContact CG-CE1 3.97Å; F72-F113 HydrophobicContact CG-CE2 4.38Å; F72-F113 AromaticContact CG-CG 3.81Å; F72-F113 HydrophobicContact CG-CG 3.81Å; F72-F113 HydrophobicContact CG-CZ 4.29Å; F72-F113 HydrophobicContact CZ-CB 3.8Å; F72-F113 HydrophobicContact CZ-CG 4.27Å; S109-F113 WeakPolarHBondContact O-CB 3.05Å; S109-F113 PolarHBondContact O-N 3.43Å; F110-F113 HydrophobicContact CD2-CD1 4.27Å; F110-F113 HydrophobicContact CE2-CD1 4.37Å; F110-F113 PolarHBondContact O-N 2.87Å; F113-V115 PolarHBondContact O-N 3.25Å; F113-V116 PolarHBondContact O-N 3.39Å; F113-W117 HydrophobicContact CD1-CE3 4.33Å; F113-W117 HydrophobicContact CE1-CD2 4.44Å; F113-W117 AromaticContact CE1-CE3 3.38Å; F113-W117 HydrophobicContact CE1-CE3 3.38Å; F113-W117 AromaticContact CE1-CZ3 3.61Å; F113-W117 HydrophobicContact CE1-CZ3 3.61Å; F113-W117 HydrophobicContact CE2-CB 4.49Å; F113-W117 HydrophobicContact CE2-CD2 4.5Å; F113-W117 HydrophobicContact CE2-CE3 4.14Å; F113-W117 AromaticContact CZ-CD2 3.96Å; F113-W117 HydrophobicContact CZ-CD2 3.96Å; F113-W117 AromaticContact CZ-CE3 3.26Å; F113-W117 HydrophobicContact CZ-CE3 3.26Å; F113-W117 AromaticContact CZ-CZ3 3.6Å; F113-W117 HydrophobicContact CZ-CZ3 3.6Å; F113-W117 WeakPolarHBondContact O-CB 3.39Å; F113-W117 PolarHBondContact O-N 3.44Å |
| 114 | L | 90.6 | Very high | 87.5 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61 | -45 | 178.1 | -70.1 | 179.1 | 0 | 0 | 0 | 111.9 | F110 A111 L112 W117 I118 | F110-L114 HydrophobicContact CD1-CD1 4.18Å; F110-L114 HydrophobicContact CD2-CG 4.44Å; F110-L114 HydrophobicContact CE1-CD1 3.64Å; F110-L114 HydrophobicContact CE1-CG 4.38Å; F110-L114 HydrophobicContact CE2-CD1 4.15Å; F110-L114 HydrophobicContact CE2-CD2 4.12Å; F110-L114 HydrophobicContact CE2-CG 4.03Å; F110-L114 HydrophobicContact CZ-CD1 3.63Å; F110-L114 HydrophobicContact CZ-CD2 4.16Å; F110-L114 HydrophobicContact CZ-CG 4.02Å; F110-L114 WeakPolarHBondContact O-CG 3.18Å; F110-L114 PolarHBondContact O-N 2.83Å; A111-L114 PolarHBondContact O-N 3.46Å; L112-L114 VanDerWaalsContact C-N 3.32Å; L112-L114 PolarHBondContact O-N 3.47Å; L114-W117 HydrophobicContact CD2-CE3 4.1Å; L114-W117 HydrophobicContact CD2-CZ3 4.28Å; L114-W117 PolarHBondContact O-N 3.43Å; L114-I118 WeakPolarHBondContact O-CB 3.49Å; L114-I118 WeakPolarHBondContact O-CD1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.32Å; L114-I118 PolarHBondContact O-N 2.99Å |
| 115 | V | 93.1 | Very high | 87.9 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 47% | 0.467 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -50.5 | 179.2 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | A111 L112 F113 W117 I118 I119 | A111-V115 WeakPolarHBondContact O-CG2 3.33Å; A111-V115 PolarHBondContact O-N 2.94Å; L112-V115 PolarHBondContact O-N 2.93Å; F113-V115 PolarHBondContact O-N 3.25Å; V115-W117 PolarHBondContact O-N 2.87Å; V115-I118 PolarHBondContact O-N 3.26Å; V115-I119 HydrophobicContact CG1-CD1 3.67Å; V115-I119 WeakPolarHBondContact O-CB 3.46Å; V115-I119 WeakPolarHBondContact O-CD1 3.42Å; V115-I119 WeakPolarHBondContact O-CG1 3.28Å; V115-I119 PolarHBondContact O-N 2.96Å |
| 116 | V | 92.6 | Very high | 87.6 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 10% | 0.097 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 179.5 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | I52 V56 L112 F113 I118 I119 F120 | I52-V116 HydrophobicContact CG1-CG2 4.29Å; V56-V116 HydrophobicContact CG2-CG1 3.75Å; L112-V116 HydrophobicContact CD1-CG2 4.11Å; L112-V116 HydrophobicContact CG-CG2 4.29Å; L112-V116 WeakPolarHBondContact O-CG2 2.86Å; L112-V116 PolarHBondContact O-N 3.46Å; F113-V116 PolarHBondContact O-N 3.39Å; V116-I118 PolarHBondContact O-N 3.01Å; V116-I119 PolarHBondContact O-N 3.28Å; V116-F120 HydrophobicContact CG1-CD2 3.78Å; V116-F120 HydrophobicContact CG1-CE2 4.02Å; V116-F120 WeakPolarHBondContact O-CD2 3.27Å; V116-F120 PolarHBondContact O-N 3.49Å |
| 117 | W | 89.8 | Confident | 86.4 | Confident | 25 Ų | 25 | 74 Ų | 74 | 10% | 0.095 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | 178.9 | -177.8 | 14.8 | 0 | 0 | 0 | 112 | G55 W58 L63 I69 F113 L114 V115 I119 F120 Y121 | G55-W117 WeakPolarHBondContact O-CA 3.18Å; W58-W117 HydrophobicContact CB-CD2 4.36Å; W58-W117 HydrophobicContact CB-CG 4.26Å; W58-W117 PolarHBondContact O-NE1 3.03Å; L63-W117 WeakPolarHBondContact O-CZ2 3.22Å; L63-W117 PolarHBondContact O-NE1 3.35Å; I69-W117 HydrophobicContact CG1-CH2 4.25Å; I69-W117 HydrophobicContact CG1-CZ3 3.75Å; F113-W117 HydrophobicContact CD1-CE3 4.33Å; F113-W117 HydrophobicContact CE1-CD2 4.44Å; F113-W117 AromaticContact CE1-CE3 3.38Å; F113-W117 HydrophobicContact CE1-CE3 3.38Å; F113-W117 AromaticContact CE1-CZ3 3.61Å; F113-W117 HydrophobicContact CE1-CZ3 3.61Å; F113-W117 HydrophobicContact CE2-CB 4.49Å; F113-W117 HydrophobicContact CE2-CD2 4.5Å; F113-W117 HydrophobicContact CE2-CE3 4.14Å; F113-W117 AromaticContact CZ-CD2 3.96Å; F113-W117 HydrophobicContact CZ-CD2 3.96Å; F113-W117 AromaticContact CZ-CE3 3.26Å; F113-W117 HydrophobicContact CZ-CE3 3.26Å; F113-W117 AromaticContact CZ-CZ3 3.6Å; F113-W117 HydrophobicContact CZ-CZ3 3.6Å; F113-W117 WeakPolarHBondContact O-CB 3.39Å; F113-W117 PolarHBondContact O-N 3.44Å; L114-W117 HydrophobicContact CD2-CE3 4.1Å; L114-W117 HydrophobicContact CD2-CZ3 4.28Å; L114-W117 PolarHBondContact O-N 3.43Å; V115-W117 PolarHBondContact O-N 2.87Å; W117-I119 PolarHBondContact O-N 3.48Å; W117-F120 PolarHBondContact O-N 3.41Å; W117-Y121 WeakPolarHBondContact O-CB 3.46Å; W117-Y121 PolarHBondContact O-N 2.98Å |
| 118 | I | 88.9 | Confident | 86.4 | Confident | 101 Ų | 101 | 70.8 Ų | 70.8 | 52% | 0.518 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 179.2 | -67.4 | 163.4 | 0 | 0 | 0 | 110.5 | L114 V115 V116 T122 | L114-I118 WeakPolarHBondContact O-CB 3.49Å; L114-I118 WeakPolarHBondContact O-CD1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.32Å; L114-I118 PolarHBondContact O-N 2.99Å; V115-I118 PolarHBondContact O-N 3.26Å; V116-I118 PolarHBondContact O-N 3.01Å; I118-T122 WeakPolarHBondContact O-CB 3.41Å; I118-T122 PolarHBondContact O-N 3.5Å; I118-T122 PolarHBondContact O-OG1 3.44Å |
| 119 | I | 91 | Very high | 86.3 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 52% | 0.523 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.2 | -52.5 | 179.3 | -70.6 | 167.7 | 0 | 0 | 0 | 110.6 | V115 V116 W117 T122 A123 | V115-I119 HydrophobicContact CG1-CD1 3.67Å; V115-I119 WeakPolarHBondContact O-CB 3.46Å; V115-I119 WeakPolarHBondContact O-CD1 3.42Å; V115-I119 WeakPolarHBondContact O-CG1 3.28Å; V115-I119 PolarHBondContact O-N 2.96Å; V116-I119 PolarHBondContact O-N 3.28Å; W117-I119 PolarHBondContact O-N 3.48Å; I119-T122 PolarHBondContact O-N 2.63Å; I119-A123 VanDerWaalsContact O-CB 3.27Å; I119-A123 WeakPolarHBondContact O-CB 3.33Å; I119-A123 PolarHBondContact O-N 3.25Å |
| 120 | F | 89.1 | Confident | 86.2 | Confident | 77 Ų | 77 | 75 Ų | 75 | 34% | 0.338 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | -177.9 | -87.2 | -90.6 | 0 | 0 | 0 | 112.4 | V56 V116 W117 T122 A123 L124 | V56-F120 HydrophobicContact CG1-CD1 4.37Å; V56-F120 HydrophobicContact CG1-CE1 4.14Å; V56-F120 HydrophobicContact CG1-CZ 4.35Å; V56-F120 HydrophobicContact CG2-CD2 4.03Å; V56-F120 HydrophobicContact CG2-CE1 4.38Å; V56-F120 HydrophobicContact CG2-CE2 3.63Å; V56-F120 HydrophobicContact CG2-CZ 3.82Å; V116-F120 HydrophobicContact CG1-CD2 3.78Å; V116-F120 HydrophobicContact CG1-CE2 4.02Å; V116-F120 WeakPolarHBondContact O-CD2 3.27Å; V116-F120 PolarHBondContact O-N 3.49Å; W117-F120 PolarHBondContact O-N 3.41Å; F120-T122 VanDerWaalsContact C-N 3.34Å; F120-T122 PolarHBondContact O-N 3.24Å; F120-A123 PolarHBondContact O-N 2.94Å; F120-L124 HydrophobicContact CD1-CD1 4.43Å; F120-L124 WeakPolarHBondContact O-CB 2.93Å; F120-L124 WeakPolarHBondContact O-CG 3.31Å; F120-L124 PolarHBondContact O-N 3Å |
| 121 | Y | 86.7 | Confident | 86 | Confident | 62 Ų | 62 | 76.5 Ų | 76.5 | 24% | 0.243 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 176.3 | -178.2 | -88.4 | 0 | 0 | 0 | 110.5 | P62 K64 W117 H125 | P62-Y121 HydrophobicContact CB-CD2 4.27Å; P62-Y121 HydrophobicContact CB-CE2 3.7Å; K64-Y121 WeakPolarHBondContact CE-OH 3.36Å; K64-Y121 HydrophobicContact CG-CE2 4.24Å; K64-Y121 PolarHBondContact NZ-OH 2.91Å; W117-Y121 WeakPolarHBondContact O-CB 3.46Å; W117-Y121 PolarHBondContact O-N 2.98Å; Y121-H125 AromaticContact CD2-ND1 3.92Å; Y121-H125 HydrophobicContact CE1-CB 4.31Å; Y121-H125 HydrophobicContact CE2-CB 4.39Å; Y121-H125 VanDerWaalsContact O-CB 3.27Å; Y121-H125 WeakPolarHBondContact O-CB 3.37Å; Y121-H125 PolarHBondContact O-N 3.38Å; Y121-H125 PolarHBondContact O-ND1 3.3Å |
| 122 | T | 86.3 | Confident | 85.6 | Confident | 55 Ų | 55 | 78.2 Ų | 78.2 | 34% | 0.337 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | I118 I119 F120 L124 F126 | I118-T122 WeakPolarHBondContact O-CB 3.41Å; I118-T122 PolarHBondContact O-N 3.5Å; I118-T122 PolarHBondContact O-OG1 3.44Å; I119-T122 PolarHBondContact O-N 2.63Å; F120-T122 VanDerWaalsContact C-N 3.34Å; F120-T122 PolarHBondContact O-N 3.24Å; T122-L124 PolarHBondContact O-N 2.86Å; T122-F126 HydrophobicContact CG2-CD2 3.36Å; T122-F126 HydrophobicContact CG2-CE2 3.49Å; T122-F126 VanDerWaalsContact CG2-CE2 3.49Å; T122-F126 WeakPolarHBondContact O-CB 3.44Å; T122-F126 WeakPolarHBondContact O-CD2 3.17Å; T122-F126 PolarHBondContact O-N 3.41Å |
| 123 | A | 86.9 | Confident | 85.2 | Confident | 77 Ų | 77 | 80.4 Ų | 80.4 | 64% | 0.636 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.8 | -34.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I119 F120 | I119-A123 VanDerWaalsContact O-CB 3.27Å; I119-A123 WeakPolarHBondContact O-CB 3.33Å; I119-A123 PolarHBondContact O-N 3.25Å; F120-A123 PolarHBondContact O-N 2.94Å |
| 124 | L | 84.7 | Confident | 84.7 | Confident | 97 Ų | 97 | 86.1 Ų | 86.1 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -94.2 | -23.5 | -175.7 | -67.6 | 171.6 | 0 | 0 | 0 | 114 | I60 F120 T122 | I60-L124 HydrophobicContact CB-CD1 4.13Å; I60-L124 HydrophobicContact CG1-CD1 3.49Å; I60-L124 VanDerWaalsContact CG1-CD1 3.49Å; F120-L124 HydrophobicContact CD1-CD1 4.43Å; F120-L124 WeakPolarHBondContact O-CB 2.93Å; F120-L124 WeakPolarHBondContact O-CG 3.31Å; F120-L124 PolarHBondContact O-N 3Å; T122-L124 PolarHBondContact O-N 2.86Å |
| 125 | H | 79.4 | Confident | 84.2 | Confident | 73 Ų | 73 | 89 Ų | 89 | 34% | 0.338 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -119 | 15.8 | -176.3 | -56.1 | 83.1 | 0 | 0 | 0 | 112.6 | G59 P62 Y121 D127 | G59-H125 PolarHBondContact O-CE1 3.02Å; G59-H125 VanDerWaalsContact O-CE1 3.26Å; P62-H125 VanDerWaalsContact CB-NE2 3.33Å; P62-H125 WeakPolarHBondContact CB-NE2 3.35Å; P62-H125 VanDerWaalsContact CD-NE2 3.32Å; P62-H125 WeakPolarHBondContact CD-NE2 3.27Å; P62-H125 VanDerWaalsContact CG-NE2 3.31Å; P62-H125 WeakPolarHBondContact CG-NE2 3.13Å; Y121-H125 AromaticContact CD2-ND1 3.92Å; Y121-H125 HydrophobicContact CE1-CB 4.31Å; Y121-H125 HydrophobicContact CE2-CB 4.39Å; Y121-H125 VanDerWaalsContact O-CB 3.27Å; Y121-H125 WeakPolarHBondContact O-CB 3.37Å; Y121-H125 PolarHBondContact O-N 3.38Å; Y121-H125 PolarHBondContact O-ND1 3.3Å; H125-D127 PolarHBondContact O-N 2.85Å |
| 126 | F | 69.7 | Low | 83.5 | Confident | 167 Ų | 167 | 90 Ų | 90 | 73% | 0.732 | 47% | 0.465 | S | S | * | . | trans | -70.7 | 111.8 | 164.6 | -127.3 | -106.2 | 0 | 0 | 0 | 108.3 | T122 | T122-F126 HydrophobicContact CG2-CD2 3.36Å; T122-F126 HydrophobicContact CG2-CE2 3.49Å; T122-F126 VanDerWaalsContact CG2-CE2 3.49Å; T122-F126 WeakPolarHBondContact O-CB 3.44Å; T122-F126 WeakPolarHBondContact O-CD2 3.17Å; T122-F126 PolarHBondContact O-N 3.41Å | ||
| 127 | D | 57.2 | Low | 82.7 | Confident | 228 Ų | 228 | 96.7 Ų | 96.7 | 100% | 1.219 | 50% | 0.499 | S | S | * | . | trans | -104.2 | 0 | 157.7 | -116 | -44.9 | 0 | 0 | 0 | 107.8 | H125 | H125-D127 PolarHBondContact O-N 2.85Š|
Retrieved 127 of 127 residues in 156.1 ms
(Link to these results)