| 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 | S | 47.4 | Very low | 40.3 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 93% | 0.93 | 65% | 0.645 | S | S | * | * | 0 | -39.2 | 0 | 54.3 | 0 | 0 | 0 | 0 | 112 | R4 K5 | S1-R4 PolarHBondContact O-N 3.19Å; S1-K5 PolarHBondContact O-N 3.46Å | |||
| 2 | E | 43.7 | Very low | 39.8 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.9 | -35 | 176.2 | -75.6 | -173 | 140.9 | 0 | 0 | 115.1 | K5 K6 | E2-K5 PolarHBondContact O-N 2.88Å; E2-K6 WeakPolarHBondContact O-CB 3.42Å; E2-K6 WeakPolarHBondContact O-CG 3.49Å; E2-K6 PolarHBondContact O-N 3.34Å |
| 3 | Q | 40.9 | Very low | 39.4 | Very low | 157 Ų | 157 | 124.8 Ų | 124.8 | 73% | 0.734 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64 | -46.4 | 172.3 | -97.5 | 169.6 | -32.8 | 0 | 0 | 111.9 | K5 K6 E7 | Q3-K5 VanDerWaalsContact C-N 3.3Å; Q3-K5 PolarHBondContact O-N 3.23Å; Q3-K6 PolarHBondContact O-N 3.07Å; Q3-K6 VanDerWaalsContact O-N 3.17Å; Q3-E7 WeakPolarHBondContact O-CB 3.23Å; Q3-E7 WeakPolarHBondContact O-CG 3.15Å; Q3-E7 PolarHBondContact O-N 3.21Å |
| 4 | R | 38.8 | Very low | 39.5 | Very low | 201 Ų | 201 | 118.7 Ų | 118.7 | 76% | 0.758 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60 | -38.1 | 172.1 | -95.3 | -173.7 | -174.4 | -178.2 | 2.1 | 112.6 | S1 L8 | S1-R4 PolarHBondContact O-N 3.19Å; R4-L8 WeakPolarHBondContact O-CB 3.33Å; R4-L8 PolarHBondContact O-N 3.3Å |
| 5 | K | 41 | Very low | 39.4 | Very low | 153 Ų | 153 | 120.9 Ų | 120.9 | 67% | 0.665 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.8 | -49.5 | 172.3 | -89.2 | -178.2 | 173 | -178.3 | 0 | 110.6 | S1 E2 Q3 E7 L8 T9 | S1-K5 PolarHBondContact O-N 3.46Å; E2-K5 PolarHBondContact O-N 2.88Å; Q3-K5 VanDerWaalsContact C-N 3.3Å; Q3-K5 PolarHBondContact O-N 3.23Å; K5-E7 VanDerWaalsContact C-N 3.32Å; K5-E7 PolarHBondContact O-N 2.89Å; K5-L8 PolarHBondContact O-N 3.46Å; K5-L8 VanDerWaalsContact O-N 3.17Å; K5-T9 PolarHBondContact O-N 2.83Å; K5-T9 PolarHBondContact O-OG1 2.73Å |
| 6 | K | 42.8 | Very low | 39.6 | Very low | 155 Ų | 155 | 119.9 Ų | 119.9 | 67% | 0.674 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.9 | -38 | 177.1 | -79 | 179 | 176.9 | 175.9 | 0 | 112.9 | E2 Q3 S10 | E2-K6 WeakPolarHBondContact O-CB 3.42Å; E2-K6 WeakPolarHBondContact O-CG 3.49Å; E2-K6 PolarHBondContact O-N 3.34Å; Q3-K6 PolarHBondContact O-N 3.07Å; Q3-K6 VanDerWaalsContact O-N 3.17Å; K6-S10 VanDerWaalsContact O-CB 3.27Å; K6-S10 WeakPolarHBondContact O-CB 3.33Å; K6-S10 PolarHBondContact O-N 2.85Å; K6-S10 PolarHBondContact O-OG 3.44Å |
| 7 | E | 40.8 | Very low | 40.3 | Very low | 123 Ų | 123 | 116.4 Ų | 116.4 | 58% | 0.575 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.8 | -45.7 | 173.8 | -74.6 | 169.2 | 170.9 | 0 | 0 | 111.3 | Q3 K5 S10 S11 | Q3-E7 WeakPolarHBondContact O-CB 3.23Å; Q3-E7 WeakPolarHBondContact O-CG 3.15Å; Q3-E7 PolarHBondContact O-N 3.21Å; K5-E7 VanDerWaalsContact C-N 3.32Å; K5-E7 PolarHBondContact O-N 2.89Å; E7-S10 PolarHBondContact O-N 3.24Å; E7-S10 PolarHBondContact O-OG 3.39Å; E7-S11 WeakPolarHBondContact O-CB 3.47Å; E7-S11 PolarHBondContact O-N 2.86Å |
| 8 | L | 36.1 | Very low | 41.3 | Very low | 115 Ų | 115 | 115.1 Ų | 115.1 | 60% | 0.602 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.7 | -43.6 | 174.6 | -108.4 | 168 | 0 | 0 | 0 | 112.5 | R4 K5 S10 S11 S12 | R4-L8 WeakPolarHBondContact O-CB 3.33Å; R4-L8 PolarHBondContact O-N 3.3Å; K5-L8 PolarHBondContact O-N 3.46Å; K5-L8 VanDerWaalsContact O-N 3.17Å; L8-S10 VanDerWaalsContact C-N 3.31Å; L8-S10 PolarHBondContact O-N 3.12Å; L8-S11 PolarHBondContact O-N 2.78Å; L8-S11 PolarHBondContact O-OG 3.4Å; L8-S12 PolarHBondContact O-N 2.77Å; L8-S12 PolarHBondContact O-OG 3.39Å |
| 9 | T | 36.6 | Very low | 42.2 | Very low | 80 Ų | 80 | 114.1 Ų | 114.1 | 49% | 0.491 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.3 | -28.8 | 177.1 | -25 | 0 | 0 | 0 | 0 | 112.4 | K5 S12 L13 | K5-T9 PolarHBondContact O-N 2.83Å; K5-T9 PolarHBondContact O-OG1 2.73Å; T9-S12 WeakPolarHBondContact CA-OG 3.32Å; T9-S12 PolarHBondContact O-OG 3.27Å; T9-L13 PolarHBondContact O-N 3.42Å |
| 10 | S | 38.2 | Very low | 43.1 | Very low | 77 Ų | 77 | 110.2 Ų | 110.2 | 54% | 0.538 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -75.4 | -26.2 | 172.5 | 81.4 | 0 | 0 | 0 | 0 | 113 | K6 E7 L8 | K6-S10 VanDerWaalsContact O-CB 3.27Å; K6-S10 WeakPolarHBondContact O-CB 3.33Å; K6-S10 PolarHBondContact O-N 2.85Å; K6-S10 PolarHBondContact O-OG 3.44Å; E7-S10 PolarHBondContact O-N 3.24Å; E7-S10 PolarHBondContact O-OG 3.39Å; L8-S10 VanDerWaalsContact C-N 3.31Å; L8-S10 PolarHBondContact O-N 3.12Å |
| 11 | S | 37.3 | Very low | 44.6 | Very low | 62 Ų | 62 | 106.4 Ų | 106.4 | 43% | 0.434 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -80.2 | -31.2 | 176 | 78.1 | 0 | 0 | 0 | 0 | 112.8 | E7 L8 | E7-S11 WeakPolarHBondContact O-CB 3.47Å; E7-S11 PolarHBondContact O-N 2.86Å; L8-S11 PolarHBondContact O-N 2.78Å; L8-S11 PolarHBondContact O-OG 3.4Å |
| 12 | S | 34.2 | Very low | 46.1 | Very low | 87 Ų | 87 | 100.9 Ų | 100.9 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -83.7 | -17 | 179.6 | 60.9 | 0 | 0 | 0 | 0 | 114.1 | L8 T9 | L8-S12 PolarHBondContact O-N 2.77Å; L8-S12 PolarHBondContact O-OG 3.39Å; T9-S12 WeakPolarHBondContact CA-OG 3.32Å; T9-S12 PolarHBondContact O-OG 3.27Å |
| 13 | L | 35.1 | Very low | 47.9 | Very low | 131 Ų | 131 | 95 Ų | 95 | 69% | 0.686 | 49% | 0.491 | S | S | * | . | trans | -107.8 | 59.6 | 171.2 | -72.3 | 165.9 | 0 | 0 | 0 | 110.5 | T9 K15 | T9-L13 PolarHBondContact O-N 3.42Å; L13-K15 PolarHBondContact O-N 3.34Å | ||
| 14 | E | 39.8 | Very low | 49.9 | Very low | 40 Ų | 40 | 89.5 Ų | 89.5 | 19% | 0.187 | 47% | 0.466 | C | S | . | . | trans | -59.8 | 110.2 | 164.3 | -120.1 | 178.7 | 145.6 | 0 | 0 | 108.7 | P16 K19 K291 H294 | E14-P16 WeakPolarHBondContact O-CD 3.32Å; E14-K19 HydrophobicContact CB-CG 4.45Å; E14-K19 HydrophobicContact CG-CG 4.35Å; E14-K19 WeakPolarHBondContact OE2-CE 3.39Å; E14-K19 IonicContact OE2-NZ 3.71Å; E14-K19 PolarHBondContact OE2-NZ 3.2Å; E14-K291 HydrophobicContact CG-CD 4.38Å; E14-H294 IonicContact OE1-CE1 3.35Å; E14-H294 IonicContact OE1-CG 2.67Å; E14-H294 IonicContact OE1-ND1 3.49Å; E14-H294 PolarHBondContact OE1-ND1 3.35Å | ||
| 15 | K | 38.2 | Very low | 51.8 | Low | 151 Ų | 151 | 80.8 Ų | 80.8 | 66% | 0.657 | 44% | 0.435 | S | S | * | . | trans | -58 | 124.8 | 172.9 | -67.4 | -171.4 | 180 | -175.7 | 0 | 107.6 | L13 A17 Q18 | L13-K15 PolarHBondContact O-N 3.34Å; K15-A17 PolarHBondContact O-N 3.45Å; K15-Q18 PolarHBondContact O-N 3.19Å | ||
| 16 | P | 43.4 | Very low | 53.9 | Low | 106 Ų | 106 | 73.5 Ų | 73.5 | 69% | 0.688 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -48.4 | -33 | -178 | -30.5 | 34.6 | 0 | 0 | 0 | 113.9 | E14 Q18 K19 A20 | E14-P16 WeakPolarHBondContact O-CD 3.32Å; P16-Q18 VanDerWaalsContact C-N 3.33Å; P16-Q18 PolarHBondContact O-N 2.88Å; P16-K19 PolarHBondContact O-N 3.23Å; P16-A20 PolarHBondContact O-N 2.88Å; P16-A20 VanDerWaalsContact O-N 3.16Å |
| 17 | A | 50.8 | Low | 55.8 | Low | 60 Ų | 60 | 67.2 Ų | 67.2 | 50% | 0.496 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -54 | -43 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K15 K19 A20 D21 | K15-A17 PolarHBondContact O-N 3.45Å; A17-K19 PolarHBondContact O-N 2.85Å; A17-A20 PolarHBondContact O-N 2.8Å; A17-D21 WeakPolarHBondContact O-CB 3.45Å; A17-D21 PolarHBondContact O-N 2.96Å; A17-D21 VanDerWaalsContact O-OD1 3.09Å |
| 18 | Q | 57.9 | Low | 57.7 | Low | 92 Ų | 92 | 61.4 Ų | 61.4 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.4 | -29.7 | -177.5 | -69.1 | -178.5 | -17.7 | 0 | 0 | 113.1 | K15 P16 | K15-Q18 PolarHBondContact O-N 3.19Å; P16-Q18 VanDerWaalsContact C-N 3.33Å; P16-Q18 PolarHBondContact O-N 2.88Å |
| 19 | K | 58.4 | Low | 59.9 | Low | 96 Ų | 96 | 57 Ų | 57 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.1 | -48.7 | 174 | -62.4 | -167.9 | 164.3 | 173.1 | 0 | 110.6 | E14 P16 A17 D21 F22 | E14-K19 HydrophobicContact CB-CG 4.45Å; E14-K19 HydrophobicContact CG-CG 4.35Å; E14-K19 WeakPolarHBondContact OE2-CE 3.39Å; E14-K19 IonicContact OE2-NZ 3.71Å; E14-K19 PolarHBondContact OE2-NZ 3.2Å; P16-K19 PolarHBondContact O-N 3.23Å; A17-K19 PolarHBondContact O-N 2.85Å; K19-D21 PolarHBondContact O-N 3.13Å; K19-F22 PolarHBondContact O-N 3.13Å |
| 20 | A | 61 | Low | 62.1 | Low | 37 Ų | 37 | 53.4 Ų | 53.4 | 31% | 0.306 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -36.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P16 A17 F22 I23 I24 | P16-A20 PolarHBondContact O-N 2.88Å; P16-A20 VanDerWaalsContact O-N 3.16Å; A17-A20 PolarHBondContact O-N 2.8Å; A20-F22 VanDerWaalsContact C-N 3.33Å; A20-F22 PolarHBondContact O-N 3.31Å; A20-I23 WeakPolarHBondContact O-CG2 3.28Å; A20-I24 HydrophobicContact CB-CD1 4.26Å; A20-I24 VanDerWaalsContact O-CB 3.26Å; A20-I24 WeakPolarHBondContact O-CB 3.2Å; A20-I24 WeakPolarHBondContact O-CD1 3.38Å; A20-I24 WeakPolarHBondContact O-CG1 3.24Å; A20-I24 PolarHBondContact O-N 3.11Å |
| 21 | D | 73.9 | Confident | 64.1 | Low | 30 Ų | 30 | 50.1 Ų | 50.1 | 16% | 0.16 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.3 | -41.9 | 179.4 | -72.8 | -16 | 0 | 0 | 0 | 112.8 | A17 K19 T25 Y219 | A17-D21 WeakPolarHBondContact O-CB 3.45Å; A17-D21 PolarHBondContact O-N 2.96Å; A17-D21 VanDerWaalsContact O-OD1 3.09Å; K19-D21 PolarHBondContact O-N 3.13Å; D21-T25 WeakPolarHBondContact O-CB 3.38Å; D21-T25 PolarHBondContact O-N 3.24Å; D21-T25 VanDerWaalsContact O-N 3.1Å; D21-T25 PolarHBondContact O-OG1 3.42Å; D21-Y219 WeakPolarHBondContact CA-OH 3.17Å; D21-Y219 PolarHBondContact N-OH 2.91Å; D21-Y219 VanDerWaalsContact OD1-CE2 3.24Å; D21-Y219 WeakPolarHBondContact OD1-CE2 3.5Å; D21-Y219 VanDerWaalsContact OD1-CZ 3.28Å; D21-Y219 PolarHBondContact OD1-OH 2.93Å |
| 22 | F | 78.4 | Confident | 66.2 | Low | 17 Ų | 17 | 47.5 Ų | 47.5 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.6 | -51.9 | -176.1 | -177.6 | -110.3 | 0 | 0 | 0 | 111.8 | K19 A20 I24 T25 L26 V71 L286 N290 D299 | K19-F22 PolarHBondContact O-N 3.13Å; A20-F22 VanDerWaalsContact C-N 3.33Å; A20-F22 PolarHBondContact O-N 3.31Å; F22-I24 VanDerWaalsContact C-N 3.29Å; F22-I24 PolarHBondContact O-N 3.03Å; F22-T25 WeakPolarHBondContact O-CB 3.42Å; F22-T25 PolarHBondContact O-N 3.12Å; F22-T25 VanDerWaalsContact O-N 3.08Å; F22-L26 HydrophobicContact CD1-CD1 4.03Å; F22-L26 HydrophobicContact CD1-CG 4.44Å; F22-L26 HydrophobicContact CE1-CD1 3.42Å; F22-L26 VanDerWaalsContact CE1-CD1 3.42Å; F22-L26 HydrophobicContact CE1-CG 3.99Å; F22-L26 HydrophobicContact CE2-CD2 4.39Å; F22-L26 HydrophobicContact CE2-CG 4.35Å; F22-L26 HydrophobicContact CZ-CD1 3.77Å; F22-L26 HydrophobicContact CZ-CD2 4.01Å; F22-L26 HydrophobicContact CZ-CG 3.94Å; F22-L26 PolarHBondContact O-N 3.4Å; F22-V71 HydrophobicContact CE1-CG1 4.22Å; F22-V71 HydrophobicContact CZ-CG1 3.73Å; F22-L286 HydrophobicContact CE2-CB 4.39Å; F22-L286 WeakPolarHBondContact CE2-O 3.39Å; F22-N290 VanDerWaalsContact CD1-ND2 3.31Å; F22-N290 WeakPolarHBondContact CD1-ND2 3.35Å; F22-N290 HydrophobicContact CD2-CB 4Å; F22-N290 HydrophobicContact CE1-CB 4.47Å; F22-N290 WeakPolarHBondContact CE1-ND2 3.45Å; F22-N290 HydrophobicContact CE2-CB 3.8Å; F22-N290 HydrophobicContact CG-CB 4.43Å; F22-N290 HydrophobicContact CZ-CB 4.05Å; F22-D299 WeakPolarHBondContact CD1-OD2 3.32Å |
| 23 | I | 83.3 | Confident | 68.5 | Low | 25 Ų | 25 | 43.4 Ų | 43.4 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.4 | -39.7 | 178.5 | -172.6 | 172.8 | 0 | 0 | 0 | 111.9 | A20 T25 L26 I27 L302 | A20-I23 WeakPolarHBondContact O-CG2 3.28Å; I23-T25 VanDerWaalsContact C-N 3.3Å; I23-T25 PolarHBondContact O-N 3.34Å; I23-L26 PolarHBondContact O-N 3.03Å; I23-I27 HydrophobicContact CD1-CD1 4.39Å; I23-I27 HydrophobicContact CG1-CD1 3.86Å; I23-I27 HydrophobicContact CG1-CG1 4.32Å; I23-I27 WeakPolarHBondContact O-CB 3.33Å; I23-I27 VanDerWaalsContact O-CG1 3.26Å; I23-I27 WeakPolarHBondContact O-CG1 3.15Å; I23-I27 PolarHBondContact O-N 2.94Å; I23-L302 HydrophobicContact CD1-CB 4.29Å; I23-L302 HydrophobicContact CD1-CD2 3.4Å; I23-L302 HydrophobicContact CD1-CG 3.91Å |
| 24 | I | 81.8 | Confident | 70.8 | Confident | 41 Ų | 41 | 37.2 Ų | 37.2 | 21% | 0.21 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | 177.5 | -69.3 | 170.6 | 0 | 0 | 0 | 110.9 | A20 F22 I27 A28 Y219 A222 | A20-I24 HydrophobicContact CB-CD1 4.26Å; A20-I24 VanDerWaalsContact O-CB 3.26Å; A20-I24 WeakPolarHBondContact O-CB 3.2Å; A20-I24 WeakPolarHBondContact O-CD1 3.38Å; A20-I24 WeakPolarHBondContact O-CG1 3.24Å; A20-I24 PolarHBondContact O-N 3.11Å; F22-I24 VanDerWaalsContact C-N 3.29Å; F22-I24 PolarHBondContact O-N 3.03Å; I24-I27 PolarHBondContact O-N 3.11Å; I24-A28 VanDerWaalsContact O-CB 3.28Å; I24-A28 WeakPolarHBondContact O-CB 3.46Å; I24-A28 PolarHBondContact O-N 2.87Å; I24-Y219 HydrophobicContact CB-CE1 4.25Å; I24-Y219 HydrophobicContact CD1-CD1 3.95Å; I24-Y219 HydrophobicContact CD1-CE1 3.17Å; I24-Y219 HydrophobicContact CG1-CE1 4.26Å; I24-Y219 HydrophobicContact CG2-CD1 3.82Å; I24-Y219 HydrophobicContact CG2-CE1 3.9Å; I24-Y219 HydrophobicContact CG2-CG 4.23Å; I24-A222 HydrophobicContact CG2-CB 4.28Å |
| 25 | T | 79.7 | Confident | 73.2 | Confident | 18 Ų | 18 | 35.4 Ų | 35.4 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 173.3 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | D21 F22 I23 Y29 L286 | D21-T25 WeakPolarHBondContact O-CB 3.38Å; D21-T25 PolarHBondContact O-N 3.24Å; D21-T25 VanDerWaalsContact O-N 3.1Å; D21-T25 PolarHBondContact O-OG1 3.42Å; F22-T25 WeakPolarHBondContact O-CB 3.42Å; F22-T25 PolarHBondContact O-N 3.12Å; F22-T25 VanDerWaalsContact O-N 3.08Å; I23-T25 VanDerWaalsContact C-N 3.3Å; I23-T25 PolarHBondContact O-N 3.34Å; T25-Y29 WeakPolarHBondContact O-CB 3.23Å; T25-Y29 PolarHBondContact O-N 3.36Å; T25-L286 HydrophobicContact CG2-CD1 4.44Å; T25-L286 HydrophobicContact CG2-CD2 3.67Å |
| 26 | L | 83.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 174.5 | -70 | -179.7 | 0 | 0 | 0 | 111.9 | F22 I23 Y29 A30 F67 L283 L286 D299 M303 | F22-L26 HydrophobicContact CD1-CD1 4.03Å; F22-L26 HydrophobicContact CD1-CG 4.44Å; F22-L26 HydrophobicContact CE1-CD1 3.42Å; F22-L26 VanDerWaalsContact CE1-CD1 3.42Å; F22-L26 HydrophobicContact CE1-CG 3.99Å; F22-L26 HydrophobicContact CE2-CD2 4.39Å; F22-L26 HydrophobicContact CE2-CG 4.35Å; F22-L26 HydrophobicContact CZ-CD1 3.77Å; F22-L26 HydrophobicContact CZ-CD2 4.01Å; F22-L26 HydrophobicContact CZ-CG 3.94Å; F22-L26 PolarHBondContact O-N 3.4Å; I23-L26 PolarHBondContact O-N 3.03Å; L26-Y29 PolarHBondContact O-N 2.87Å; L26-A30 VanDerWaalsContact O-CB 3.31Å; L26-A30 WeakPolarHBondContact O-CB 3.35Å; L26-A30 PolarHBondContact O-N 3.38Å; L26-F67 HydrophobicContact CD2-CZ 4.26Å; L26-L283 HydrophobicContact CD2-CD2 4.39Å; L26-L286 HydrophobicContact CD2-CB 4.42Å; L26-L286 HydrophobicContact CD2-CD1 4.1Å; L26-D299 HydrophobicContact CD1-CB 4.34Å; L26-M303 HydrophobicContact CB-CG 4.07Å |
| 27 | I | 84.5 | Confident | 77.4 | Confident | 24 Ų | 24 | 23.8 Ų | 23.8 | 12% | 0.123 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.9 | -48.2 | 177.1 | -70.4 | 168 | 0 | 0 | 0 | 110.2 | I23 I24 Y29 A30 I31 Y226 M303 I306 | I23-I27 HydrophobicContact CD1-CD1 4.39Å; I23-I27 HydrophobicContact CG1-CD1 3.86Å; I23-I27 HydrophobicContact CG1-CG1 4.32Å; I23-I27 WeakPolarHBondContact O-CB 3.33Å; I23-I27 VanDerWaalsContact O-CG1 3.26Å; I23-I27 WeakPolarHBondContact O-CG1 3.15Å; I23-I27 PolarHBondContact O-N 2.94Å; I24-I27 PolarHBondContact O-N 3.11Å; I27-Y29 VanDerWaalsContact C-N 3.3Å; I27-Y29 PolarHBondContact O-N 3.5Å; I27-A30 PolarHBondContact O-N 3.49Å; I27-I31 HydrophobicContact CG2-CD1 3.54Å; I27-I31 HydrophobicContact CG2-CG1 4.43Å; I27-I31 VanDerWaalsContact O-CD1 3.25Å; I27-I31 WeakPolarHBondContact O-CD1 3.29Å; I27-I31 VanDerWaalsContact O-CG1 3.25Å; I27-I31 WeakPolarHBondContact O-CG1 3.37Å; I27-I31 PolarHBondContact O-N 2.87Å; I27-I31 VanDerWaalsContact O-N 3.11Å; I27-Y226 HydrophobicContact CG2-CE2 4.05Å; I27-M303 HydrophobicContact CG1-CG 4.47Å; I27-I306 HydrophobicContact CD1-CD1 3.65Å; I27-I306 HydrophobicContact CG1-CD1 4.24Å; I27-I306 HydrophobicContact CG2-CG2 4.4Å |
| 28 | A | 81 | Confident | 79.1 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -53.7 | -48.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I24 A30 I31 A222 D375 | I24-A28 VanDerWaalsContact O-CB 3.28Å; I24-A28 WeakPolarHBondContact O-CB 3.46Å; I24-A28 PolarHBondContact O-N 2.87Å; A28-A30 PolarHBondContact O-N 3.08Å; A28-I31 PolarHBondContact O-N 2.96Å; A28-A222 HydrophobicContact CB-CB 3.81Å; A28-D375 WeakPolarHBondContact CB-OD2 3.24Å; A28-D375 VanDerWaalsContact O-OD2 3.12Å |
| 29 | Y | 81 | Confident | 80.7 | Confident | 23 Ų | 23 | 18.7 Ų | 18.7 | 9% | 0.09 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.3 | -37.5 | -179.8 | 178.9 | -108.7 | 0 | 0 | 0 | 113.6 | T25 L26 I27 S282 L283 L286 L380 | T25-Y29 WeakPolarHBondContact O-CB 3.23Å; T25-Y29 PolarHBondContact O-N 3.36Å; L26-Y29 PolarHBondContact O-N 2.87Å; I27-Y29 VanDerWaalsContact C-N 3.3Å; I27-Y29 PolarHBondContact O-N 3.5Å; Y29-S282 VanDerWaalsContact OH-CB 3.24Å; Y29-S282 WeakPolarHBondContact OH-CB 3.26Å; Y29-S282 PolarHBondContact OH-OG 3.41Å; Y29-S282 VanDerWaalsContact OH-OG 3.11Å; Y29-L283 HydrophobicContact CD1-CD2 3.54Å; Y29-L283 HydrophobicContact CE1-CD2 3.51Å; Y29-L283 HydrophobicContact CE1-CG 4.01Å; Y29-L286 HydrophobicContact CD1-CD1 4.3Å; Y29-L286 HydrophobicContact CG-CD1 4.13Å; Y29-L380 HydrophobicContact CE2-CD2 4.02Å; Y29-L380 HydrophobicContact CE2-CG 4.49Å |
| 30 | A | 82.3 | Confident | 82.3 | Confident | 3 Ų | 3 | 14.2 Ų | 14.2 | 3% | 0.025 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -80 | -20.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L26 I27 A28 N35 M303 N307 | L26-A30 VanDerWaalsContact O-CB 3.31Å; L26-A30 WeakPolarHBondContact O-CB 3.35Å; L26-A30 PolarHBondContact O-N 3.38Å; I27-A30 PolarHBondContact O-N 3.49Å; A28-A30 PolarHBondContact O-N 3.08Å; A30-N35 PolarHBondContact O-OD1 2.98Å; A30-M303 HydrophobicContact CB-CE 4.02Å; A30-M303 HydrophobicContact CB-CG 4.09Å; A30-M303 HydrophobicContact CB-SD 3.19Å; A30-M303 WeakPolarHBondContact CB-SD 3.41Å; A30-N307 HydrophobicContact CB-CB 4.48Å; A30-N307 PolarHBondContact O-ND2 2.73Å; A30-N307 PolarHBondContact O-OD1 3.18Å |
| 31 | I | 81.7 | Confident | 83.5 | Confident | 9 Ų | 9 | 15 Ų | 15 | 5% | 0.046 | 7% | 0.072 | C | C | . | . | trans | -90.4 | 115 | 176.6 | -53.8 | 150.8 | 0 | 0 | 0 | 107.8 | I27 A28 Y226 T310 L372 | I27-I31 HydrophobicContact CG2-CD1 3.54Å; I27-I31 HydrophobicContact CG2-CG1 4.43Å; I27-I31 VanDerWaalsContact O-CD1 3.25Å; I27-I31 WeakPolarHBondContact O-CD1 3.29Å; I27-I31 VanDerWaalsContact O-CG1 3.25Å; I27-I31 WeakPolarHBondContact O-CG1 3.37Å; I27-I31 PolarHBondContact O-N 2.87Å; I27-I31 VanDerWaalsContact O-N 3.11Å; A28-I31 PolarHBondContact O-N 2.96Å; I31-Y226 HydrophobicContact CD1-CD2 4.1Å; I31-Y226 HydrophobicContact CD1-CE1 4.41Å; I31-Y226 HydrophobicContact CD1-CE2 3.12Å; I31-Y226 WeakPolarHBondContact CD1-OH 2.89Å; I31-Y226 HydrophobicContact CG1-CE2 4.31Å; I31-Y226 WeakPolarHBondContact CG1-OH 3.28Å; I31-T310 HydrophobicContact CG1-CG2 4.45Å; I31-T310 HydrophobicContact CG2-CG2 4.13Å; I31-L372 HydrophobicContact CB-CD2 4.45Å; I31-L372 HydrophobicContact CG2-CD2 3.7Å | ||
| 32 | G | 80.2 | Confident | 84.2 | Confident | 7 Ų | 7 | 14 Ų | 14 | 7% | 0.072 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -137.1 | -174.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G34 N35 | G32-G34 PolarHBondContact O-N 3.45Å; G32-G34 VanDerWaalsContact O-N 3.16Å; G32-N35 PolarHBondContact N-OD1 3.18Å; G32-N35 PolarHBondContact O-N 3.34Å; G32-N35 VanDerWaalsContact O-N 3.13Å; G32-N35 PolarHBondContact O-OD1 3.01Å |
| 33 | L | 83 | Confident | 84.8 | Confident | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -52.4 | -37.2 | 172.8 | -64.1 | 172 | 0 | 0 | 0 | 111.2 | N35 V36 W37 Y109 I112 I369 L372 | L33-N35 PolarHBondContact O-N 3.48Å; L33-N35 VanDerWaalsContact O-N 3.14Å; L33-V36 PolarHBondContact O-N 3.47Å; L33-W37 VanDerWaalsContact C-CD1 3.4Å; L33-W37 HydrophobicContact CB-CZ2 4.1Å; L33-W37 HydrophobicContact CD1-CZ2 4.31Å; L33-W37 PolarHBondContact O-N 2.77Å; L33-W37 VanDerWaalsContact O-N 3.13Å; L33-W37 PolarHBondContact O-NE1 3.35Å; L33-Y109 HydrophobicContact CD1-CD1 3.98Å; L33-Y109 HydrophobicContact CD1-CD2 4.5Å; L33-Y109 HydrophobicContact CD1-CE1 4.01Å; L33-Y109 HydrophobicContact CD1-CG 4.22Å; L33-I112 HydrophobicContact CD1-CB 4.11Å; L33-I112 HydrophobicContact CD1-CD1 4.03Å; L33-I112 HydrophobicContact CD1-CG2 3.66Å; L33-I112 HydrophobicContact CD2-CG2 4.44Å; L33-I369 HydrophobicContact CD2-CB 4.36Å; L33-I369 HydrophobicContact CD2-CD1 4.21Å; L33-I369 HydrophobicContact CD2-CG2 3.54Å; L33-L372 HydrophobicContact CD2-CB 4.22Å |
| 34 | G | 83.5 | Confident | 84.9 | Confident | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | I | π-helix | trans | -51.1 | -36 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G32 R38 F39 Q271 | G32-G34 PolarHBondContact O-N 3.45Å; G32-G34 VanDerWaalsContact O-N 3.16Å; G34-R38 WeakPolarHBondContact O-CB 3.17Å; G34-R38 PolarHBondContact O-N 3.13Å; G34-F39 PolarHBondContact O-N 3.31Å; G34-Q271 PolarHBondContact O-NE2 3.21Å; G34-Q271 VanDerWaalsContact O-NE2 3.13Å |
| 35 | N | 89.5 | Confident | 85.1 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | I | π-helix | trans | -70.2 | -39.1 | 177.5 | -59.1 | 91.3 | 0 | 0 | 0 | 112.2 | A30 G32 L33 S275 N307 S311 A314 | A30-N35 PolarHBondContact O-OD1 2.98Å; G32-N35 PolarHBondContact N-OD1 3.18Å; G32-N35 PolarHBondContact O-N 3.34Å; G32-N35 VanDerWaalsContact O-N 3.13Å; G32-N35 PolarHBondContact O-OD1 3.01Å; L33-N35 PolarHBondContact O-N 3.48Å; L33-N35 VanDerWaalsContact O-N 3.14Å; N35-S275 PolarHBondContact ND2-OG 3.13Å; N35-N307 PolarHBondContact ND2-OD1 2.91Å; N35-S311 PolarHBondContact ND2-OG 3.27Å; N35-A314 WeakPolarHBondContact O-CB 3.46Å |
| 36 | V | 86.5 | Confident | 85.5 | Confident | 5 Ų | 5 | 15.9 Ų | 15.9 | 3% | 0.03 | 7% | 0.071 | C | C | . | . | I | π-helix | trans | -85.4 | -32.1 | -168.6 | -179.2 | 0 | 0 | 0 | 0 | 112.7 | L33 P40 V318 M368 I369 L372 | L33-V36 PolarHBondContact O-N 3.47Å; V36-P40 WeakPolarHBondContact O-CG 3.3Å; V36-V318 VanDerWaalsContact O-CG2 3.28Å; V36-V318 WeakPolarHBondContact O-CG2 3.36Å; V36-M368 HydrophobicContact CG1-CE 3.67Å; V36-M368 HydrophobicContact CG2-CE 4.19Å; V36-I369 HydrophobicContact CB-CD1 4.47Å; V36-I369 HydrophobicContact CG1-CD1 3.95Å; V36-L372 HydrophobicContact CG2-CD1 3.73Å |
| 37 | W | 83 | Confident | 85.5 | Confident | 8 Ų | 8 | 16.2 Ų | 16.2 | 3% | 0.03 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -120.1 | -35.4 | -175.3 | 69.5 | -8.8 | 0 | 0 | 0 | 115.6 | L33 Y41 I112 V341 L343 V344 F345 | L33-W37 VanDerWaalsContact C-CD1 3.4Å; L33-W37 HydrophobicContact CB-CZ2 4.1Å; L33-W37 HydrophobicContact CD1-CZ2 4.31Å; L33-W37 PolarHBondContact O-N 2.77Å; L33-W37 VanDerWaalsContact O-N 3.13Å; L33-W37 PolarHBondContact O-NE1 3.35Å; W37-Y41 VanDerWaalsContact O-CB 3.29Å; W37-Y41 WeakPolarHBondContact O-CB 3.3Å; W37-Y41 PolarHBondContact O-N 3.38Å; W37-I112 HydrophobicContact CH2-CB 4.44Å; W37-I112 HydrophobicContact CH2-CD1 3.38Å; W37-I112 HydrophobicContact CH2-CG1 3.8Å; W37-I112 HydrophobicContact CH2-CG2 3.8Å; W37-I112 HydrophobicContact CZ2-CD1 3.64Å; W37-I112 HydrophobicContact CZ3-CG2 4.26Å; W37-V341 HydrophobicContact CE3-CG1 4.49Å; W37-V341 HydrophobicContact CH2-CB 4.22Å; W37-V341 HydrophobicContact CH2-CG1 3.51Å; W37-V341 HydrophobicContact CZ2-CG1 4.34Å; W37-V341 HydrophobicContact CZ3-CB 3.8Å; W37-V341 HydrophobicContact CZ3-CG1 3.61Å; W37-L343 HydrophobicContact CB-CD2 4.43Å; W37-L343 WeakPolarHBondContact O-CD2 3.34Å; W37-V344 HydrophobicContact CB-CG2 3.51Å; W37-V344 HydrophobicContact CD2-CG2 4.02Å; W37-V344 HydrophobicContact CE3-CB 3.69Å; W37-V344 HydrophobicContact CE3-CG1 4.43Å; W37-V344 HydrophobicContact CE3-CG2 3.34Å; W37-V344 HydrophobicContact CG-CG2 4.16Å; W37-V344 HydrophobicContact CZ3-CB 4.14Å; W37-V344 HydrophobicContact CZ3-CG2 4.22Å; W37-F345 HydrophobicContact CZ3-CE2 4.06Å |
| 38 | R | 87 | Confident | 85.7 | Confident | 46 Ų | 46 | 15.2 Ų | 15.2 | 17% | 0.174 | 7% | 0.07 | C | C | . | . | I | π-helix | trans | -85 | -46.9 | -169.1 | -171.4 | -178.3 | 172.1 | 147.7 | 3.6 | 108.6 | G34 Y41 L42 | G34-R38 WeakPolarHBondContact O-CB 3.17Å; G34-R38 PolarHBondContact O-N 3.13Å; R38-Y41 PolarHBondContact O-N 2.89Å; R38-L42 HydrophobicContact CG-CD1 4.03Å; R38-L42 HydrophobicContact CG-CG 4.38Å; R38-L42 WeakPolarHBondContact O-CB 3.46Å; R38-L42 VanDerWaalsContact O-CG 3.29Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 3.23Å |
| 39 | F | 91.8 | Very high | 86 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -56.8 | -51.6 | 174.9 | 172.7 | -93.9 | 0 | 0 | 0 | 113.1 | G34 Y41 L42 C43 F51 L52 Y55 Y249 Q271 S311 L312 | G34-F39 PolarHBondContact O-N 3.31Å; F39-Y41 VanDerWaalsContact C-N 3.34Å; F39-Y41 PolarHBondContact O-N 3.01Å; F39-L42 PolarHBondContact O-N 2.7Å; F39-C43 WeakPolarHBondContact O-CB 3.4Å; F39-C43 PolarHBondContact O-N 3.49Å; F39-F51 HydrophobicContact CD2-CE1 4.33Å; F39-F51 HydrophobicContact CE2-CE1 4.17Å; F39-L52 HydrophobicContact CE2-CD2 4.37Å; F39-L52 HydrophobicContact CZ-CD2 3.71Å; F39-Y55 HydrophobicContact CD2-CD2 4.1Å; F39-Y55 HydrophobicContact CD2-CE1 4.2Å; F39-Y55 AromaticContact CD2-CE2 3.68Å; F39-Y55 HydrophobicContact CD2-CE2 3.68Å; F39-Y55 AromaticContact CD2-CZ 3.7Å; F39-Y55 AromaticContact CE2-CD1 3.72Å; F39-Y55 HydrophobicContact CE2-CD1 3.72Å; F39-Y55 AromaticContact CE2-CD2 3.89Å; F39-Y55 HydrophobicContact CE2-CD2 3.89Å; F39-Y55 AromaticContact CE2-CE1 3.57Å; F39-Y55 HydrophobicContact CE2-CE1 3.57Å; F39-Y55 AromaticContact CE2-CE2 3.76Å; F39-Y55 HydrophobicContact CE2-CE2 3.76Å; F39-Y55 AromaticContact CE2-CG 3.86Å; F39-Y55 HydrophobicContact CE2-CG 3.86Å; F39-Y55 AromaticContact CE2-CZ 3.57Å; F39-Y55 HydrophobicContact CZ-CD1 4.45Å; F39-Y55 HydrophobicContact CZ-CE1 4.26Å; F39-Y249 HydrophobicContact CE1-CE2 4.21Å; F39-Y249 WeakPolarHBondContact CE1-OH 3.28Å; F39-Q271 HydrophobicContact CB-CG 4.48Å; F39-Q271 HydrophobicContact CD2-CG 4.35Å; F39-S311 WeakPolarHBondContact CD1-O 3.23Å; F39-S311 WeakPolarHBondContact CE1-O 3.4Å; F39-L312 HydrophobicContact CE1-CD2 4.39Å; F39-L312 HydrophobicContact CZ-CD2 3.83Å |
| 40 | P | 91.1 | Very high | 86.4 | Confident | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.013 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.9 | -41.4 | 177.8 | -22.1 | 31.2 | 0 | 0 | 0 | 113 | V36 C43 Y44 V318 F319 | V36-P40 WeakPolarHBondContact O-CG 3.3Å; P40-C43 PolarHBondContact O-N 2.83Å; P40-Y44 PolarHBondContact O-N 3.43Å; P40-V318 HydrophobicContact CB-CB 4Å; P40-V318 HydrophobicContact CB-CG1 3.89Å; P40-V318 HydrophobicContact CB-CG2 4.2Å; P40-V318 HydrophobicContact CG-CB 4.04Å; P40-V318 HydrophobicContact CG-CG1 4.31Å; P40-V318 HydrophobicContact CG-CG2 3.7Å; P40-F319 HydrophobicContact CB-CD2 4.21Å; P40-F319 HydrophobicContact CB-CE2 3.86Å; P40-F319 WeakPolarHBondContact O-CE2 3.19Å; P40-F319 WeakPolarHBondContact O-CZ 3.09Å |
| 41 | Y | 88 | Confident | 86.8 | Confident | 52 Ų | 52 | 14.8 Ų | 14.8 | 20% | 0.204 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 176.4 | 171 | -105.8 | 0 | 0 | 0 | 112.2 | W37 R38 F39 Y44 K45 V337 Q338 S339 | W37-Y41 VanDerWaalsContact O-CB 3.29Å; W37-Y41 WeakPolarHBondContact O-CB 3.3Å; W37-Y41 PolarHBondContact O-N 3.38Å; R38-Y41 PolarHBondContact O-N 2.89Å; F39-Y41 VanDerWaalsContact C-N 3.34Å; F39-Y41 PolarHBondContact O-N 3.01Å; Y41-Y44 WeakPolarHBondContact O-CB 3.31Å; Y41-Y44 PolarHBondContact O-N 2.85Å; Y41-K45 HydrophobicContact CE1-CD 4.06Å; Y41-K45 WeakPolarHBondContact O-CB 3.42Å; Y41-K45 PolarHBondContact O-N 2.91Å; Y41-V337 HydrophobicContact CD2-CG1 4.24Å; Y41-Q338 WeakPolarHBondContact CD2-O 3.5Å; Y41-S339 VanDerWaalsContact CZ-CB 3.45Å; Y41-S339 WeakPolarHBondContact OH-CB 3.3Å |
| 42 | L | 88.5 | Confident | 87.3 | Confident | 10 Ų | 10 | 15.9 Ų | 15.9 | 5% | 0.052 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | 178 | -71.3 | 176.8 | 0 | 0 | 0 | 111.5 | R38 F39 Y44 K45 H46 F51 D267 Q271 | R38-L42 HydrophobicContact CG-CD1 4.03Å; R38-L42 HydrophobicContact CG-CG 4.38Å; R38-L42 WeakPolarHBondContact O-CB 3.46Å; R38-L42 VanDerWaalsContact O-CG 3.29Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 3.23Å; F39-L42 PolarHBondContact O-N 2.7Å; L42-Y44 VanDerWaalsContact C-N 3.35Å; L42-Y44 PolarHBondContact O-N 3.17Å; L42-K45 PolarHBondContact O-N 3.43Å; L42-H46 WeakPolarHBondContact O-CB 3.39Å; L42-H46 PolarHBondContact O-CD2 3.48Å; L42-H46 PolarHBondContact O-N 3.46Å; L42-F51 HydrophobicContact CB-CE1 4.09Å; L42-F51 HydrophobicContact CB-CE2 4.41Å; L42-F51 HydrophobicContact CB-CZ 3.87Å; L42-F51 HydrophobicContact CD1-CZ 4.45Å; L42-D267 HydrophobicContact CD2-CB 4.28Å; L42-Q271 HydrophobicContact CD1-CB 3.79Å; L42-Q271 HydrophobicContact CD1-CG 4.1Å |
| 43 | C | 89.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.6 | -49 | 174.1 | -170.9 | 0 | 0 | 0 | 0 | 110.6 | F39 P40 H46 G47 G48 F51 Y249 | F39-C43 WeakPolarHBondContact O-CB 3.4Å; F39-C43 PolarHBondContact O-N 3.49Å; P40-C43 PolarHBondContact O-N 2.83Å; C43-H46 PolarHBondContact O-N 3.24Å; C43-G47 PolarHBondContact O-N 3.25Å; C43-G48 VanDerWaalsContact O-CA 3.22Å; C43-G48 WeakPolarHBondContact O-CA 3.46Å; C43-G48 PolarHBondContact O-N 2.89Å; C43-G48 VanDerWaalsContact SG-C 3.54Å; C43-G48 PolarHBondContact SG-O 3.49Å; C43-F51 HydrophobicContact CB-CD1 4.05Å; C43-Y249 HydrophobicContact CB-CD2 4.4Å; C43-Y249 HydrophobicContact CB-CE2 4.14Å; C43-Y249 VanDerWaalsContact SG-CD2 3.58Å; C43-Y249 WeakPolarHBondContact SG-CE2 3.17Å |
| 44 | Y | 86.6 | Confident | 88 | Confident | 49 Ų | 49 | 20.6 Ų | 20.6 | 19% | 0.192 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59 | -51.9 | 175.2 | 173 | -103.3 | 0 | 0 | 0 | 112.3 | P40 Y41 L42 H46 G47 V248 F319 S334 V337 | P40-Y44 PolarHBondContact O-N 3.43Å; Y41-Y44 WeakPolarHBondContact O-CB 3.31Å; Y41-Y44 PolarHBondContact O-N 2.85Å; L42-Y44 VanDerWaalsContact C-N 3.35Å; L42-Y44 PolarHBondContact O-N 3.17Å; Y44-H46 PolarHBondContact O-N 2.89Å; Y44-G47 PolarHBondContact O-N 3.41Å; Y44-V248 HydrophobicContact CD2-CG1 4.06Å; Y44-V248 HydrophobicContact CE2-CG1 4.24Å; Y44-F319 HydrophobicContact CD2-CE1 4.23Å; Y44-S334 WeakPolarHBondContact OH-CA 3.14Å; Y44-S334 WeakPolarHBondContact OH-CB 3.25Å; Y44-V337 HydrophobicContact CD1-CB 4.07Å; Y44-V337 HydrophobicContact CD1-CG1 3.55Å; Y44-V337 HydrophobicContact CD1-CG2 4.4Å; Y44-V337 HydrophobicContact CD2-CG2 4.42Å; Y44-V337 HydrophobicContact CE1-CB 4.07Å; Y44-V337 HydrophobicContact CE1-CG1 3.98Å; Y44-V337 HydrophobicContact CG-CG1 4.09Å; Y44-V337 HydrophobicContact CG-CG2 4.35Å |
| 45 | K | 85.7 | Confident | 88.4 | Confident | 87 Ų | 87 | 20.5 Ų | 20.5 | 38% | 0.378 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -55.4 | -41.2 | -176.3 | -174.8 | -177 | 177.5 | -171.8 | 0 | 111.2 | Y41 L42 K256 | Y41-K45 HydrophobicContact CE1-CD 4.06Å; Y41-K45 WeakPolarHBondContact O-CB 3.42Å; Y41-K45 PolarHBondContact O-N 2.91Å; L42-K45 PolarHBondContact O-N 3.43Å; K45-K256 WeakPolarHBondContact O-CD 3.44Å; K45-K256 PolarHBondContact O-NZ 2.94Å |
| 46 | H | 87.3 | Confident | 88.4 | Confident | 5 Ų | 5 | 23.1 Ų | 23.1 | 2% | 0.023 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 22.9 | -169.5 | -64.3 | -43.6 | 0 | 0 | 0 | 115.1 | L42 C43 Y44 F51 V262 D267 | L42-H46 WeakPolarHBondContact O-CB 3.39Å; L42-H46 PolarHBondContact O-CD2 3.48Å; L42-H46 PolarHBondContact O-N 3.46Å; C43-H46 PolarHBondContact O-N 3.24Å; Y44-H46 PolarHBondContact O-N 2.89Å; H46-F51 HydrophobicContact CB-CB 4.02Å; H46-F51 HydrophobicContact CB-CD2 3.57Å; H46-F51 HydrophobicContact CB-CE2 4.39Å; H46-F51 HydrophobicContact CB-CG 4.08Å; H46-F51 AromaticContact CD2-CD2 3.89Å; H46-F51 AromaticContact CD2-CE2 3.83Å; H46-V262 HydrophobicContact CB-CG1 4.14Å; H46-V262 HydrophobicContact CB-CG2 3.62Å; H46-V262 WeakPolarHBondContact ND1-CG2 3.46Å; H46-D267 IonicContact CD2-OD2 2.81Å; H46-D267 IonicContact CE1-OD2 2.68Å; H46-D267 PolarHBondContact CE1-OD2 3.16Å; H46-D267 WeakPolarHBondContact NE2-CB 3.31Å; H46-D267 IonicContact NE2-OD2 3.35Å; H46-D267 PolarHBondContact NE2-OD2 3.07Å |
| 47 | G | 84 | Confident | 88.6 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 6% | 0.062 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | 30.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C43 Y44 G49 A50 N253 | C43-G47 PolarHBondContact O-N 3.25Å; Y44-G47 PolarHBondContact O-N 3.41Å; G47-G49 PolarHBondContact O-N 2.89Å; G47-A50 WeakPolarHBondContact O-CB 3.32Å; G47-A50 PolarHBondContact O-N 3.36Å; G47-N253 PolarHBondContact O-N 2.94Å |
| 48 | G | 87.3 | Confident | 89 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -121.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | C43 A50 F51 Y249 | C43-G48 VanDerWaalsContact O-CA 3.22Å; C43-G48 WeakPolarHBondContact O-CA 3.46Å; C43-G48 PolarHBondContact O-N 2.89Å; C43-G48 VanDerWaalsContact SG-C 3.54Å; C43-G48 PolarHBondContact SG-O 3.49Å; G48-A50 PolarHBondContact O-N 2.94Å; G48-F51 WeakPolarHBondContact O-CB 3.3Å; G48-F51 PolarHBondContact O-N 3.12Å; G48-Y249 CarbonylContact C-O 3.55Å; G48-Y249 WeakPolarHBondContact CA-O 3.46Å |
| 49 | G | 88.9 | Confident | 89.2 | Confident | 12 Ų | 12 | 25 Ų | 25 | 12% | 0.124 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56 | -24.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G47 F51 L52 Y249 T251 | G47-G49 PolarHBondContact O-N 2.89Å; G49-F51 VanDerWaalsContact C-N 3.33Å; G49-F51 PolarHBondContact O-N 3.32Å; G49-L52 WeakPolarHBondContact O-CB 3.3Å; G49-L52 PolarHBondContact O-N 3.41Å; G49-Y249 PolarHBondContact N-O 2.85Å; G49-T251 PolarHBondContact N-O 3.46Å |
| 50 | A | 89.7 | Confident | 89 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | G47 G48 L52 V53 P54 P252 L257 | G47-A50 WeakPolarHBondContact O-CB 3.32Å; G47-A50 PolarHBondContact O-N 3.36Å; G48-A50 PolarHBondContact O-N 2.94Å; A50-L52 PolarHBondContact O-N 3.16Å; A50-V53 PolarHBondContact O-N 2.88Å; A50-P54 WeakPolarHBondContact O-CD 3.32Å; A50-P252 HydrophobicContact CB-CB 4.04Å; A50-L257 HydrophobicContact CB-CD1 3.9Å; A50-L257 HydrophobicContact CB-CD2 3.85Å; A50-L257 HydrophobicContact CB-CG 3.75Å |
| 51 | F | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.8 | -23 | 179 | 179.1 | -101.9 | 0 | 0 | 0 | 113.1 | F39 L42 C43 H46 G48 G49 V53 P54 Y55 V262 A268 | F39-F51 HydrophobicContact CD2-CE1 4.33Å; F39-F51 HydrophobicContact CE2-CE1 4.17Å; L42-F51 HydrophobicContact CB-CE1 4.09Å; L42-F51 HydrophobicContact CB-CE2 4.41Å; L42-F51 HydrophobicContact CB-CZ 3.87Å; L42-F51 HydrophobicContact CD1-CZ 4.45Å; C43-F51 HydrophobicContact CB-CD1 4.05Å; H46-F51 HydrophobicContact CB-CB 4.02Å; H46-F51 HydrophobicContact CB-CD2 3.57Å; H46-F51 HydrophobicContact CB-CE2 4.39Å; H46-F51 HydrophobicContact CB-CG 4.08Å; H46-F51 AromaticContact CD2-CD2 3.89Å; H46-F51 AromaticContact CD2-CE2 3.83Å; G48-F51 WeakPolarHBondContact O-CB 3.3Å; G48-F51 PolarHBondContact O-N 3.12Å; G49-F51 VanDerWaalsContact C-N 3.33Å; G49-F51 PolarHBondContact O-N 3.32Å; F51-V53 PolarHBondContact O-N 3.33Å; F51-P54 VanDerWaalsContact O-CD 3.23Å; F51-P54 WeakPolarHBondContact O-CD 3.46Å; F51-P54 VanDerWaalsContact O-CG 3.31Å; F51-P54 WeakPolarHBondContact O-CG 3.44Å; F51-Y55 HydrophobicContact CE1-CD2 4.26Å; F51-Y55 HydrophobicContact CE1-CG 4.43Å; F51-Y55 VanDerWaalsContact O-CB 3.26Å; F51-Y55 WeakPolarHBondContact O-CB 3.41Å; F51-Y55 PolarHBondContact O-N 2.85Å; F51-Y55 VanDerWaalsContact O-N 3.1Å; F51-V262 HydrophobicContact CD2-CG1 4.29Å; F51-A268 HydrophobicContact CE2-CB 3.87Å; F51-A268 HydrophobicContact CZ-CB 4.11Å |
| 52 | L | 91 | Very high | 88.8 | Confident | 32 Ų | 32 | 32.9 Ų | 32.9 | 17% | 0.168 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -30.2 | -179.7 | -57.6 | -177.3 | 0 | 0 | 0 | 112.3 | F39 G49 A50 C56 L250 L312 | F39-L52 HydrophobicContact CE2-CD2 4.37Å; F39-L52 HydrophobicContact CZ-CD2 3.71Å; G49-L52 WeakPolarHBondContact O-CB 3.3Å; G49-L52 PolarHBondContact O-N 3.41Å; A50-L52 PolarHBondContact O-N 3.16Å; L52-C56 WeakPolarHBondContact O-CB 3.41Å; L52-C56 PolarHBondContact O-N 3.49Å; L52-C56 PolarHBondContact O-SG 2.69Å; L52-L250 HydrophobicContact CD1-CD2 4.45Å; L52-L312 HydrophobicContact CD2-CD2 3.72Å |
| 53 | V | 89.1 | Confident | 88.9 | Confident | 91 Ų | 91 | 32.4 Ų | 32.4 | 55% | 0.552 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -64.8 | -60.5 | 177.9 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | A50 F51 Y55 C56 L57 | A50-V53 PolarHBondContact O-N 2.88Å; F51-V53 PolarHBondContact O-N 3.33Å; V53-Y55 PolarHBondContact O-N 2.89Å; V53-C56 PolarHBondContact O-N 3.21Å; V53-L57 HydrophobicContact CG1-CD1 4.05Å; V53-L57 WeakPolarHBondContact O-CG 3.46Å; V53-L57 PolarHBondContact O-N 3.29Å |
| 54 | P | 89.5 | Confident | 89 | Confident | 16 Ų | 16 | 33.9 Ų | 33.9 | 10% | 0.104 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.5 | -30.7 | 177.1 | 24.7 | -33.4 | 0 | 0 | 0 | 112.4 | A50 F51 S58 L257 V262 A268 | A50-P54 WeakPolarHBondContact O-CD 3.32Å; F51-P54 VanDerWaalsContact O-CD 3.23Å; F51-P54 WeakPolarHBondContact O-CD 3.46Å; F51-P54 VanDerWaalsContact O-CG 3.31Å; F51-P54 WeakPolarHBondContact O-CG 3.44Å; P54-S58 WeakPolarHBondContact O-CB 3.46Å; P54-S58 PolarHBondContact O-N 2.92Å; P54-S58 PolarHBondContact O-OG 3.06Å; P54-L257 HydrophobicContact CG-CD2 4.46Å; P54-V262 HydrophobicContact CG-CG1 4.18Å; P54-A268 HydrophobicContact CB-CB 4.02Å; P54-A268 HydrophobicContact CG-CB 4.48Å |
| 55 | Y | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 174.1 | 178.2 | -104.5 | 0 | 0 | 0 | 112.8 | F39 F51 V53 S58 W59 Q271 V272 S311 | F39-Y55 HydrophobicContact CD2-CD2 4.1Å; F39-Y55 HydrophobicContact CD2-CE1 4.2Å; F39-Y55 AromaticContact CD2-CE2 3.68Å; F39-Y55 HydrophobicContact CD2-CE2 3.68Å; F39-Y55 AromaticContact CD2-CZ 3.7Å; F39-Y55 AromaticContact CE2-CD1 3.72Å; F39-Y55 HydrophobicContact CE2-CD1 3.72Å; F39-Y55 AromaticContact CE2-CD2 3.89Å; F39-Y55 HydrophobicContact CE2-CD2 3.89Å; F39-Y55 AromaticContact CE2-CE1 3.57Å; F39-Y55 HydrophobicContact CE2-CE1 3.57Å; F39-Y55 AromaticContact CE2-CE2 3.76Å; F39-Y55 HydrophobicContact CE2-CE2 3.76Å; F39-Y55 AromaticContact CE2-CG 3.86Å; F39-Y55 HydrophobicContact CE2-CG 3.86Å; F39-Y55 AromaticContact CE2-CZ 3.57Å; F39-Y55 HydrophobicContact CZ-CD1 4.45Å; F39-Y55 HydrophobicContact CZ-CE1 4.26Å; F51-Y55 HydrophobicContact CE1-CD2 4.26Å; F51-Y55 HydrophobicContact CE1-CG 4.43Å; F51-Y55 VanDerWaalsContact O-CB 3.26Å; F51-Y55 WeakPolarHBondContact O-CB 3.41Å; F51-Y55 PolarHBondContact O-N 2.85Å; F51-Y55 VanDerWaalsContact O-N 3.1Å; V53-Y55 PolarHBondContact O-N 2.89Å; Y55-S58 WeakPolarHBondContact O-CB 3.45Å; Y55-S58 PolarHBondContact O-N 2.91Å; Y55-W59 AromaticContact CE1-CD1 3.64Å; Y55-W59 AromaticContact CE1-NE1 3.41Å; Y55-W59 AromaticContact CE2-NE1 3.47Å; Y55-W59 AromaticContact CZ-CD1 3.68Å; Y55-W59 AromaticContact CZ-NE1 3Å; Y55-W59 PolarHBondContact O-N 3.29Å; Y55-W59 VanDerWaalsContact O-N 3.08Å; Y55-W59 PolarHBondContact OH-NE1 2.93Å; Y55-Q271 HydrophobicContact CD2-CG 4.35Å; Y55-Q271 HydrophobicContact CE2-CG 3.9Å; Y55-V272 HydrophobicContact CD2-CG1 3.73Å; Y55-V272 HydrophobicContact CE2-CG1 3.58Å; Y55-S311 VanDerWaalsContact OH-CB 3.23Å; Y55-S311 WeakPolarHBondContact OH-CB 3.29Å; Y55-S311 PolarHBondContact OH-OG 2.95Å; Y55-S311 VanDerWaalsContact OH-OG 3.06Å |
| 56 | C | 91 | Very high | 89.4 | Confident | 55 Ų | 55 | 29.6 Ų | 29.6 | 37% | 0.372 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 177 | -72.2 | 0 | 0 | 0 | 0 | 112.2 | L52 V53 S58 W59 I60 | L52-C56 WeakPolarHBondContact O-CB 3.41Å; L52-C56 PolarHBondContact O-N 3.49Å; L52-C56 PolarHBondContact O-SG 2.69Å; V53-C56 PolarHBondContact O-N 3.21Å; C56-S58 VanDerWaalsContact C-N 3.32Å; C56-S58 PolarHBondContact O-N 3.31Å; C56-W59 WeakPolarHBondContact O-CB 3.41Å; C56-W59 PolarHBondContact O-N 3.2Å; C56-I60 WeakPolarHBondContact O-CG1 3.4Å; C56-I60 PolarHBondContact O-N 3.37Å |
| 57 | L | 90 | Very high | 89.6 | Confident | 83 Ų | 83 | 29.4 Ų | 29.4 | 44% | 0.435 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 174.7 | -66.9 | 172.4 | 0 | 0 | 0 | 111.5 | V53 W59 I60 F61 | V53-L57 HydrophobicContact CG1-CD1 4.05Å; V53-L57 WeakPolarHBondContact O-CG 3.46Å; V53-L57 PolarHBondContact O-N 3.29Å; L57-W59 VanDerWaalsContact C-N 3.31Å; L57-W59 PolarHBondContact O-N 3.36Å; L57-I60 PolarHBondContact O-N 3.45Å; L57-F61 HydrophobicContact CB-CD2 4.33Å; L57-F61 HydrophobicContact CD2-CD2 4.22Å; L57-F61 HydrophobicContact CD2-CE2 3.76Å; L57-F61 WeakPolarHBondContact O-CD2 3.38Å; L57-F61 PolarHBondContact O-N 2.89Å |
| 58 | S | 90.3 | Very high | 89.8 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -37.7 | 176 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | P54 Y55 C56 L62 A63 T265 | P54-S58 WeakPolarHBondContact O-CB 3.46Å; P54-S58 PolarHBondContact O-N 2.92Å; P54-S58 PolarHBondContact O-OG 3.06Å; Y55-S58 WeakPolarHBondContact O-CB 3.45Å; Y55-S58 PolarHBondContact O-N 2.91Å; C56-S58 VanDerWaalsContact C-N 3.32Å; C56-S58 PolarHBondContact O-N 3.31Å; S58-L62 CarbonylContact O-C 3.54Å; S58-L62 WeakPolarHBondContact O-CA 3.17Å; S58-L62 WeakPolarHBondContact O-CB 3.32Å; S58-L62 PolarHBondContact O-N 3.19Å; S58-A63 PolarHBondContact O-N 2.8Å; S58-T265 WeakPolarHBondContact OG-CG2 3.1Å |
| 59 | W | 91.3 | Very high | 89.9 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -61.6 | -45.6 | 173.9 | -87.6 | 111 | 0 | 0 | 0 | 112.7 | Y55 C56 L57 A63 T64 V272 C304 N307 A308 | Y55-W59 AromaticContact CE1-CD1 3.64Å; Y55-W59 AromaticContact CE1-NE1 3.41Å; Y55-W59 AromaticContact CE2-NE1 3.47Å; Y55-W59 AromaticContact CZ-CD1 3.68Å; Y55-W59 AromaticContact CZ-NE1 3Å; Y55-W59 PolarHBondContact O-N 3.29Å; Y55-W59 VanDerWaalsContact O-N 3.08Å; Y55-W59 PolarHBondContact OH-NE1 2.93Å; C56-W59 WeakPolarHBondContact O-CB 3.41Å; C56-W59 PolarHBondContact O-N 3.2Å; L57-W59 VanDerWaalsContact C-N 3.31Å; L57-W59 PolarHBondContact O-N 3.36Å; W59-A63 HydrophobicContact CD2-CB 4.31Å; W59-A63 HydrophobicContact CE3-CB 3.57Å; W59-A63 HydrophobicContact CZ3-CB 3.77Å; W59-T64 VanDerWaalsContact O-CB 3.32Å; W59-T64 WeakPolarHBondContact O-CB 3.5Å; W59-T64 PolarHBondContact O-N 2.95Å; W59-T64 PolarHBondContact O-OG1 3.19Å; W59-V272 VanDerWaalsContact CD1-CG1 3.5Å; W59-V272 HydrophobicContact CD2-CB 4.15Å; W59-V272 HydrophobicContact CD2-CG1 3.93Å; W59-V272 HydrophobicContact CG-CB 4.5Å; W59-V272 HydrophobicContact CG-CG1 3.87Å; W59-V272 HydrophobicContact CZ2-CB 4.17Å; W59-V272 HydrophobicContact CZ2-CG1 4.22Å; W59-V272 VanDerWaalsContact NE1-CG1 3.35Å; W59-C304 HydrophobicContact CE3-CB 3.85Å; W59-C304 HydrophobicContact CZ3-CB 3.78Å; W59-N307 HydrophobicContact CH2-CB 3.97Å; W59-N307 VanDerWaalsContact CH2-ND2 3.34Å; W59-N307 WeakPolarHBondContact CH2-ND2 3.1Å; W59-N307 HydrophobicContact CZ2-CB 4.21Å; W59-A308 HydrophobicContact CD2-CB 4.25Å; W59-A308 HydrophobicContact CG-CB 4.21Å |
| 60 | I | 89.1 | Confident | 89.9 | Confident | 102 Ų | 102 | 32.8 Ų | 32.8 | 52% | 0.523 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -71.1 | -51.5 | -175.5 | -65.1 | 167.1 | 0 | 0 | 0 | 110.9 | C56 L57 | C56-I60 WeakPolarHBondContact O-CG1 3.4Å; C56-I60 PolarHBondContact O-N 3.37Å; L57-I60 PolarHBondContact O-N 3.45Å |
| 61 | F | 87.4 | Confident | 89.8 | Confident | 95 Ų | 95 | 32.5 Ų | 32.5 | 42% | 0.417 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -93 | -21.6 | -168.8 | -65.3 | -68.1 | 0 | 0 | 0 | 114.1 | L57 A476 | L57-F61 HydrophobicContact CB-CD2 4.33Å; L57-F61 HydrophobicContact CD2-CD2 4.22Å; L57-F61 HydrophobicContact CD2-CE2 3.76Å; L57-F61 WeakPolarHBondContact O-CD2 3.38Å; L57-F61 PolarHBondContact O-N 2.89Å; F61-A476 HydrophobicContact CB-CB 4.43Å |
| 62 | L | 87.5 | Confident | 89.6 | Confident | 23 Ų | 23 | 34.2 Ų | 34.2 | 12% | 0.12 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -116.9 | -58.8 | -173.1 | -164.9 | 74.6 | 0 | 0 | 0 | 112.6 | S58 P65 I66 F273 L430 | S58-L62 CarbonylContact O-C 3.54Å; S58-L62 WeakPolarHBondContact O-CA 3.17Å; S58-L62 WeakPolarHBondContact O-CB 3.32Å; S58-L62 PolarHBondContact O-N 3.19Å; L62-P65 WeakPolarHBondContact O-CD 3.34Å; L62-I66 HydrophobicContact CD1-CD1 4.23Å; L62-I66 HydrophobicContact CG-CD1 4.46Å; L62-I66 WeakPolarHBondContact O-CD1 3.28Å; L62-I66 WeakPolarHBondContact O-CG1 3.44Å; L62-F273 HydrophobicContact CB-CE2 4.28Å; L62-F273 HydrophobicContact CD1-CE2 4.39Å; L62-F273 HydrophobicContact CD1-CZ 4.25Å; L62-F273 HydrophobicContact CD2-CD2 4Å; L62-F273 HydrophobicContact CD2-CE2 3.24Å; L62-F273 HydrophobicContact CD2-CZ 3.76Å; L62-F273 HydrophobicContact CG-CD2 4.48Å; L62-F273 HydrophobicContact CG-CE2 3.35Å; L62-F273 HydrophobicContact CG-CZ 3.65Å; L62-L430 HydrophobicContact CD2-CD2 4.13Å |
| 63 | A | 90.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -73.4 | -53.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S58 W59 P65 I66 F67 V272 I278 | S58-A63 PolarHBondContact O-N 2.8Å; W59-A63 HydrophobicContact CD2-CB 4.31Å; W59-A63 HydrophobicContact CE3-CB 3.57Å; W59-A63 HydrophobicContact CZ3-CB 3.77Å; A63-P65 VanDerWaalsContact C-CD 3.46Å; A63-I66 PolarHBondContact O-N 3.28Å; A63-F67 WeakPolarHBondContact O-CB 3.31Å; A63-F67 PolarHBondContact O-N 3.29Å; A63-V272 HydrophobicContact CB-CB 3.91Å; A63-V272 HydrophobicContact CB-CG2 3.74Å; A63-I278 HydrophobicContact CB-CD1 3.96Å; A63-I278 WeakPolarHBondContact O-CD1 3.49Å |
| 64 | T | 90.7 | Very high | 89.2 | Confident | 30 Ų | 30 | 29.5 Ų | 29.5 | 18% | 0.184 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56 | -43.5 | -176.1 | -53.8 | 0 | 0 | 0 | 0 | 113.1 | W59 L68 I301 | W59-T64 VanDerWaalsContact O-CB 3.32Å; W59-T64 WeakPolarHBondContact O-CB 3.5Å; W59-T64 PolarHBondContact O-N 2.95Å; W59-T64 PolarHBondContact O-OG1 3.19Å; T64-L68 VanDerWaalsContact O-CB 3.31Å; T64-L68 WeakPolarHBondContact O-CB 3.2Å; T64-L68 PolarHBondContact O-N 3.37Å; T64-I301 HydrophobicContact CG2-CG1 4.12Å |
| 65 | P | 90.3 | Very high | 89 | Confident | 32 Ų | 32 | 29.3 Ų | 29.3 | 21% | 0.208 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.4 | -46.4 | 179.7 | -23.2 | 37.4 | 0 | 0 | 0 | 113.2 | L62 A63 L68 L69 M473 | L62-P65 WeakPolarHBondContact O-CD 3.34Å; A63-P65 VanDerWaalsContact C-CD 3.46Å; P65-L68 PolarHBondContact O-N 3.02Å; P65-L69 WeakPolarHBondContact O-CB 3.4Å; P65-L69 PolarHBondContact O-N 3.44Å; P65-M473 HydrophobicContact CB-CE 3.25Å; P65-M473 HydrophobicContact CG-CE 2.95Å |
| 66 | I | 90.4 | Very high | 88.6 | Confident | 14 Ų | 14 | 33 Ų | 33 | 7% | 0.072 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.4 | -36.4 | -178.7 | -62.9 | 169.6 | 0 | 0 | 0 | 110.3 | L62 A63 L69 E70 F273 I278 V437 | L62-I66 HydrophobicContact CD1-CD1 4.23Å; L62-I66 HydrophobicContact CG-CD1 4.46Å; L62-I66 WeakPolarHBondContact O-CD1 3.28Å; L62-I66 WeakPolarHBondContact O-CG1 3.44Å; A63-I66 PolarHBondContact O-N 3.28Å; I66-L69 WeakPolarHBondContact O-CB 3.39Å; I66-L69 PolarHBondContact O-N 3.4Å; I66-E70 PolarHBondContact O-N 2.92Å; I66-F273 HydrophobicContact CD1-CE1 4.36Å; I66-F273 HydrophobicContact CD1-CZ 3.63Å; I66-I278 HydrophobicContact CB-CD1 4.38Å; I66-I278 HydrophobicContact CB-CG2 4.38Å; I66-I278 HydrophobicContact CG2-CG2 3.48Å; I66-I278 VanDerWaalsContact CG2-CG2 3.48Å; I66-V437 HydrophobicContact CD1-CG2 4.09Å; I66-V437 HydrophobicContact CG1-CG2 3.91Å |
| 67 | F | 91.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.8 | -50.5 | 172.3 | -171.7 | -83.7 | 0 | 0 | 0 | 111.3 | L26 A63 L69 E70 V71 I278 L283 M303 | L26-F67 HydrophobicContact CD2-CZ 4.26Å; A63-F67 WeakPolarHBondContact O-CB 3.31Å; A63-F67 PolarHBondContact O-N 3.29Å; F67-L69 PolarHBondContact O-N 3.39Å; F67-E70 PolarHBondContact O-N 3.48Å; F67-V71 HydrophobicContact CD1-CG2 3.99Å; F67-V71 HydrophobicContact CE1-CG2 3.55Å; F67-V71 HydrophobicContact CZ-CG2 3.88Å; F67-V71 WeakPolarHBondContact O-CG2 3.03Å; F67-V71 PolarHBondContact O-N 3.49Å; F67-V71 VanDerWaalsContact O-N 3.09Å; F67-I278 HydrophobicContact CB-CD1 4.02Å; F67-I278 HydrophobicContact CB-CG1 4.25Å; F67-I278 HydrophobicContact CD2-CG1 4.15Å; F67-L283 HydrophobicContact CD2-CD1 3.32Å; F67-L283 HydrophobicContact CD2-CD2 4.26Å; F67-L283 HydrophobicContact CD2-CG 4.39Å; F67-L283 HydrophobicContact CE2-CD1 3.29Å; F67-L283 HydrophobicContact CE2-CD2 3.32Å; F67-L283 HydrophobicContact CE2-CG 3.9Å; F67-L283 HydrophobicContact CG-CD1 4.23Å; F67-L283 HydrophobicContact CZ-CD1 4.21Å; F67-L283 HydrophobicContact CZ-CD2 3.68Å; F67-M303 HydrophobicContact CD1-CE 4.21Å; F67-M303 HydrophobicContact CD2-CE 3.52Å; F67-M303 HydrophobicContact CE1-CE 3.79Å; F67-M303 HydrophobicContact CE2-CE 3.04Å; F67-M303 HydrophobicContact CG-CE 4.08Å; F67-M303 HydrophobicContact CZ-CE 3.18Å; F67-M303 HydrophobicContact CZ-CG 4.32Å |
| 68 | L | 89.5 | Confident | 87.9 | Confident | 40 Ų | 40 | 31.8 Ų | 31.8 | 21% | 0.209 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.7 | -40.7 | 176.9 | 179.5 | 66 | 0 | 0 | 0 | 110.8 | T64 P65 S72 Y297 | T64-L68 VanDerWaalsContact O-CB 3.31Å; T64-L68 WeakPolarHBondContact O-CB 3.2Å; T64-L68 PolarHBondContact O-N 3.37Å; P65-L68 PolarHBondContact O-N 3.02Å; L68-S72 WeakPolarHBondContact O-CB 3.41Å; L68-S72 PolarHBondContact O-N 3.09Å; L68-S72 PolarHBondContact O-OG 2.87Å; L68-Y297 HydrophobicContact CD1-CD2 4.14Å; L68-Y297 HydrophobicContact CD2-CD2 3.67Å; L68-Y297 HydrophobicContact CD2-CE2 4.05Å |
| 69 | L | 89.1 | Confident | 87.6 | Confident | 53 Ų | 53 | 37.2 Ų | 37.2 | 28% | 0.277 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.6 | -52.9 | 176.7 | -172.1 | 67.2 | 0 | 0 | 0 | 111.9 | P65 I66 F67 V71 S72 L73 V437 I440 | P65-L69 WeakPolarHBondContact O-CB 3.4Å; P65-L69 PolarHBondContact O-N 3.44Å; I66-L69 WeakPolarHBondContact O-CB 3.39Å; I66-L69 PolarHBondContact O-N 3.4Å; F67-L69 PolarHBondContact O-N 3.39Å; L69-V71 PolarHBondContact O-N 3.09Å; L69-S72 PolarHBondContact O-N 2.76Å; L69-L73 WeakPolarHBondContact O-CB 3.32Å; L69-L73 PolarHBondContact O-N 3.24Å; L69-V437 HydrophobicContact CD2-CG2 4.21Å; L69-I440 HydrophobicContact CD1-CD1 4.34Å; L69-I440 HydrophobicContact CD1-CG2 3.85Å; L69-I440 HydrophobicContact CD2-CB 4.39Å; L69-I440 HydrophobicContact CD2-CD1 3.59Å; L69-I440 HydrophobicContact CD2-CG2 4.41Å; L69-I440 HydrophobicContact CG-CD1 3.81Å; L69-I440 HydrophobicContact CG-CG2 4.47Å |
| 70 | E | 89.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.1 | -48.2 | -179.2 | -83.6 | -162.1 | -142.2 | 0 | 0 | 112.3 | I66 F67 G74 I278 G279 L283 I284 E436 | I66-E70 PolarHBondContact O-N 2.92Å; F67-E70 PolarHBondContact O-N 3.48Å; E70-G74 PolarHBondContact O-N 3.17Å; E70-I278 WeakPolarHBondContact OE1-CG2 3.11Å; E70-G279 PolarHBondContact OE1-N 3.4Å; E70-L283 HydrophobicContact CB-CB 4.02Å; E70-L283 HydrophobicContact CB-CD1 4.44Å; E70-L283 WeakPolarHBondContact OE2-CB 3.33Å; E70-I284 HydrophobicContact CB-CG1 3.83Å; E70-I284 HydrophobicContact CG-CD1 4.16Å; E70-I284 HydrophobicContact CG-CG1 3.91Å; E70-E436 WeakPolarHBondContact CG-OE1 3.24Å |
| 71 | V | 86.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.5 | -41.6 | -177.7 | -172.6 | 0 | 0 | 0 | 0 | 110.6 | F22 F67 L69 G74 Q75 L283 V296 | F22-V71 HydrophobicContact CE1-CG1 4.22Å; F22-V71 HydrophobicContact CZ-CG1 3.73Å; F67-V71 HydrophobicContact CD1-CG2 3.99Å; F67-V71 HydrophobicContact CE1-CG2 3.55Å; F67-V71 HydrophobicContact CZ-CG2 3.88Å; F67-V71 WeakPolarHBondContact O-CG2 3.03Å; F67-V71 PolarHBondContact O-N 3.49Å; F67-V71 VanDerWaalsContact O-N 3.09Å; L69-V71 PolarHBondContact O-N 3.09Å; V71-G74 PolarHBondContact O-N 3.31Å; V71-Q75 WeakPolarHBondContact O-CB 3.36Å; V71-Q75 PolarHBondContact O-N 3.33Å; V71-L283 HydrophobicContact CG2-CB 3.94Å; V71-V296 HydrophobicContact CB-CG2 3.77Å; V71-V296 HydrophobicContact CG1-CG2 3.33Å |
| 72 | S | 87.1 | Confident | 86.4 | Confident | 36 Ų | 36 | 32 Ų | 32 | 25% | 0.252 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 178.4 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | L68 L69 Q75 Y76 V296 | L68-S72 WeakPolarHBondContact O-CB 3.41Å; L68-S72 PolarHBondContact O-N 3.09Å; L68-S72 PolarHBondContact O-OG 2.87Å; L69-S72 PolarHBondContact O-N 2.76Å; S72-Q75 PolarHBondContact O-N 2.9Å; S72-Y76 WeakPolarHBondContact O-CB 3.47Å; S72-Y76 PolarHBondContact O-N 3.5Å; S72-V296 WeakPolarHBondContact OG-CG1 3.43Å |
| 73 | L | 85.5 | Confident | 86.1 | Confident | 23 Ų | 23 | 31.8 Ų | 31.8 | 12% | 0.12 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 176.6 | -175.8 | 64.7 | 0 | 0 | 0 | 111.3 | L69 Y76 L77 I84 I87 I440 | L69-L73 WeakPolarHBondContact O-CB 3.32Å; L69-L73 PolarHBondContact O-N 3.24Å; L73-Y76 PolarHBondContact O-N 3.05Å; L73-L77 HydrophobicContact CD1-CD1 3.51Å; L73-L77 HydrophobicContact CD1-CG 4.04Å; L73-L77 HydrophobicContact CG-CD1 4Å; L73-L77 WeakPolarHBondContact O-CB 2.93Å; L73-L77 PolarHBondContact O-N 2.96Å; L73-I84 HydrophobicContact CD2-CD1 3.79Å; L73-I87 HydrophobicContact CD1-CD1 4.4Å; L73-I440 HydrophobicContact CD2-CD1 3.66Å; L73-I440 HydrophobicContact CD2-CG1 4.11Å |
| 74 | G | 85.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.4 | -48.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E70 V71 Q78 I284 G287 S288 | E70-G74 PolarHBondContact O-N 3.17Å; V71-G74 PolarHBondContact O-N 3.31Å; G74-Q78 WeakPolarHBondContact O-CA 3.44Å; G74-Q78 PolarHBondContact O-N 2.94Å; G74-I284 VanDerWaalsContact CA-O 3.27Å; G74-I284 WeakPolarHBondContact CA-O 3.07Å; G74-G287 VanDerWaalsContact C-C 3.49Å; G74-S288 WeakPolarHBondContact O-CA 3.48Å; G74-S288 WeakPolarHBondContact O-CB 3.49Å; G74-S288 PolarHBondContact O-N 3.42Å |
| 75 | Q | 84.9 | Confident | 85.1 | Confident | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.056 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 178.6 | -174.7 | -172.4 | 33.1 | 0 | 0 | 112.5 | V71 S72 Q78 G287 N290 K291 H294 V296 | V71-Q75 WeakPolarHBondContact O-CB 3.36Å; V71-Q75 PolarHBondContact O-N 3.33Å; S72-Q75 PolarHBondContact O-N 2.9Å; Q75-Q78 WeakPolarHBondContact O-CG 3.42Å; Q75-Q78 PolarHBondContact O-NE2 3.31Å; Q75-G287 WeakPolarHBondContact CA-O 3.39Å; Q75-G287 PolarHBondContact N-O 2.84Å; Q75-N290 HydrophobicContact CG-CB 4.32Å; Q75-K291 PolarHBondContact NE2-O 2.66Å; Q75-H294 PolarHBondContact NE2-O 2.97Å; Q75-V296 VanDerWaalsContact OE1-CB 3.23Å |
| 76 | Y | 82.6 | Confident | 84.2 | Confident | 77 Ų | 77 | 34.9 Ų | 34.9 | 30% | 0.302 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -72.2 | -50.8 | -179.5 | -179.9 | -98.5 | 0 | 0 | 0 | 111.9 | S72 L73 Q78 F292 L454 | S72-Y76 WeakPolarHBondContact O-CB 3.47Å; S72-Y76 PolarHBondContact O-N 3.5Å; L73-Y76 PolarHBondContact O-N 3.05Å; Y76-Q78 VanDerWaalsContact C-N 3.35Å; Y76-Q78 PolarHBondContact O-N 3.41Å; Y76-F292 AromaticContact CD2-CE2 3.56Å; Y76-F292 HydrophobicContact CD2-CE2 3.56Å; Y76-F292 AromaticContact CD2-CZ 3.77Å; Y76-F292 HydrophobicContact CD2-CZ 3.77Å; Y76-F292 AromaticContact CE2-CE2 3.92Å; Y76-F292 HydrophobicContact CE2-CE2 3.92Å; Y76-F292 AromaticContact CE2-CZ 3.83Å; Y76-F292 HydrophobicContact CE2-CZ 3.83Å; Y76-F292 HydrophobicContact CG-CE2 4.39Å; Y76-L454 HydrophobicContact CD1-CD2 3.48Å; Y76-L454 VanDerWaalsContact CD1-CD2 3.48Å; Y76-L454 HydrophobicContact CD1-CG 4.5Å; Y76-L454 HydrophobicContact CD2-CD2 3.49Å; Y76-L454 VanDerWaalsContact CD2-CD2 3.49Å; Y76-L454 HydrophobicContact CE1-CD1 4.25Å; Y76-L454 HydrophobicContact CE1-CD2 3.28Å; Y76-L454 HydrophobicContact CE1-CG 3.83Å; Y76-L454 HydrophobicContact CE2-CD2 3.27Å; Y76-L454 HydrophobicContact CE2-CG 3.86Å; Y76-L454 HydrophobicContact CG-CD2 3.59Å; Y76-L454 VanDerWaalsContact CZ-CG 3.45Å; Y76-L454 WeakPolarHBondContact OH-CG 3.44Å |
| 77 | L | 84.8 | Confident | 83.2 | Confident | 43 Ų | 43 | 37.4 Ų | 37.4 | 23% | 0.225 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -79.6 | -17.2 | -175.7 | -65.5 | 177.4 | 0 | 0 | 0 | 113.2 | L73 R79 I84 I87 | L73-L77 HydrophobicContact CD1-CD1 3.51Å; L73-L77 HydrophobicContact CD1-CG 4.04Å; L73-L77 HydrophobicContact CG-CD1 4Å; L73-L77 WeakPolarHBondContact O-CB 2.93Å; L73-L77 PolarHBondContact O-N 2.96Å; L77-R79 HydrophobicContact CB-CB 4.5Å; L77-R79 WeakPolarHBondContact O-CG 3.3Å; L77-R79 PolarHBondContact O-N 3.37Å; L77-R79 VanDerWaalsContact O-N 3.09Å; L77-I84 HydrophobicContact CB-CG2 4.38Å; L77-I84 HydrophobicContact CD1-CB 3.71Å; L77-I84 HydrophobicContact CD1-CG2 3.96Å; L77-I87 HydrophobicContact CD1-CD1 4.17Å; L77-I87 HydrophobicContact CD1-CG2 3.92Å; L77-I87 HydrophobicContact CD2-CG2 4.08Å |
| 78 | Q | 83 | Confident | 82.2 | Confident | 71 Ų | 71 | 37.8 Ų | 37.8 | 33% | 0.332 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 35.2 | -177.8 | -65 | -75.4 | -54.9 | 0 | 0 | 112.2 | G74 Q75 Y76 S288 N290 K386 | G74-Q78 WeakPolarHBondContact O-CA 3.44Å; G74-Q78 PolarHBondContact O-N 2.94Å; Q75-Q78 WeakPolarHBondContact O-CG 3.42Å; Q75-Q78 PolarHBondContact O-NE2 3.31Å; Y76-Q78 VanDerWaalsContact C-N 3.35Å; Y76-Q78 PolarHBondContact O-N 3.41Å; Q78-S288 PolarHBondContact OE1-O 2.85Å; Q78-N290 PolarHBondContact NE2-O 3.4Å; Q78-K386 PolarHBondContact O-NZ 3.49Å |
| 79 | R | 83.6 | Confident | 81.2 | Confident | 117 Ų | 117 | 40.2 Ų | 40.2 | 44% | 0.442 | 21% | 0.211 | S | C | . | . | trans | -126.5 | 152.9 | -179.8 | -73.8 | -177.1 | -177.3 | -158.7 | -0 | 110.6 | L77 G83 I84 H86 S288 | L77-R79 HydrophobicContact CB-CB 4.5Å; L77-R79 WeakPolarHBondContact O-CG 3.3Å; L77-R79 PolarHBondContact O-N 3.37Å; L77-R79 VanDerWaalsContact O-N 3.09Å; R79-G83 WeakPolarHBondContact CD-O 3.25Å; R79-I84 HydrophobicContact CB-CG2 4.22Å; R79-H86 PolarHBondContact NH1-CD2 3.46Å; R79-S288 VanDerWaalsContact O-CB 3.25Å; R79-S288 WeakPolarHBondContact O-CB 3.1Å | ||
| 80 | G | 81 | Confident | 80.2 | Confident | 25 Ų | 25 | 43.6 Ų | 43.6 | 26% | 0.258 | 23% | 0.234 | S | C | . | . | trans | -74.7 | 174.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I82 G83 I84 | G80-I82 VanDerWaalsContact C-N 3.28Å; G80-I82 PolarHBondContact O-N 3.22Å; G80-G83 WeakPolarHBondContact O-CA 3.46Å; G80-G83 PolarHBondContact O-N 3.25Å; G80-I84 PolarHBondContact O-N 3.43Å; G80-I84 VanDerWaalsContact O-N 3.09Å | ||
| 81 | S | 81.4 | Confident | 79.5 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29 | -169.4 | 71.8 | 0 | 0 | 0 | 0 | 116.8 | W85 G95 G281 K383 | S81-W85 PolarHBondContact O-NE1 3.04Å; S81-G95 WeakPolarHBondContact O-CA 3.48Å; S81-G281 WeakPolarHBondContact CB-O 3.36Å; S81-K383 WeakPolarHBondContact OG-CE 3.26Å; S81-K383 PolarHBondContact OG-NZ 3.44Å |
| 82 | I | 80.5 | Confident | 78.8 | Confident | 70 Ų | 70 | 50.3 Ų | 50.3 | 36% | 0.359 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -36.2 | 174 | -64.1 | 169 | 0 | 0 | 0 | 110.2 | G80 I84 W85 G95 V99 | G80-I82 VanDerWaalsContact C-N 3.28Å; G80-I82 PolarHBondContact O-N 3.22Å; I82-I84 VanDerWaalsContact C-N 3.35Å; I82-I84 PolarHBondContact O-N 2.9Å; I82-W85 PolarHBondContact O-N 3.14Å; I82-G95 WeakPolarHBondContact CG1-O 3.45Å; I82-V99 HydrophobicContact CD1-CG2 3.8Å; I82-V99 HydrophobicContact CG1-CG2 4.05Å |
| 83 | G | 80.8 | Confident | 78.1 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -74.6 | -20 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R79 G80 W85 H86 | R79-G83 WeakPolarHBondContact CD-O 3.25Å; G80-G83 WeakPolarHBondContact O-CA 3.46Å; G80-G83 PolarHBondContact O-N 3.25Å; G83-W85 VanDerWaalsContact C-N 3.28Å; G83-W85 PolarHBondContact O-N 2.9Å; G83-H86 PolarHBondContact O-CD2 3.06Å |
| 84 | I | 82.3 | Confident | 77.9 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -63.8 | -36.5 | 173.1 | 68.2 | -175.7 | 0 | 0 | 0 | 111.2 | L73 L77 R79 G80 I82 H86 I87 I284 | L73-I84 HydrophobicContact CD2-CD1 3.79Å; L77-I84 HydrophobicContact CB-CG2 4.38Å; L77-I84 HydrophobicContact CD1-CB 3.71Å; L77-I84 HydrophobicContact CD1-CG2 3.96Å; R79-I84 HydrophobicContact CB-CG2 4.22Å; G80-I84 PolarHBondContact O-N 3.43Å; G80-I84 VanDerWaalsContact O-N 3.09Å; I82-I84 VanDerWaalsContact C-N 3.35Å; I82-I84 PolarHBondContact O-N 2.9Å; I84-H86 PolarHBondContact O-N 3.36Å; I84-I87 VanDerWaalsContact O-CG1 3.23Å; I84-I87 WeakPolarHBondContact O-CG1 3.47Å; I84-I87 WeakPolarHBondContact O-CG2 3.46Å; I84-I87 PolarHBondContact O-N 2.91Å; I84-I87 VanDerWaalsContact O-N 3.11Å; I84-I284 HydrophobicContact CD1-CD1 3.43Å; I84-I284 VanDerWaalsContact CD1-CD1 3.43Å; I84-I284 HydrophobicContact CD1-CG1 4.36Å; I84-I284 HydrophobicContact CD1-CG2 3.8Å; I84-I284 HydrophobicContact CG2-CG2 3.53Å |
| 85 | W | 77.9 | Confident | 77.6 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -71.4 | 5.7 | -175.3 | -60.5 | 107.3 | 0 | 0 | 0 | 114.5 | S81 I82 G83 I87 C88 F91 K92 V94 G95 E436 A439 | S81-W85 PolarHBondContact O-NE1 3.04Å; I82-W85 PolarHBondContact O-N 3.14Å; G83-W85 VanDerWaalsContact C-N 3.28Å; G83-W85 PolarHBondContact O-N 2.9Å; W85-I87 PolarHBondContact O-N 3.2Å; W85-C88 CarbonylContact O-C 3.59Å; W85-C88 PolarHBondContact O-N 3.02Å; W85-C88 VanDerWaalsContact O-O 3.08Å; W85-F91 HydrophobicContact CD2-CB 4.33Å; W85-F91 HydrophobicContact CE3-CB 3.57Å; W85-F91 HydrophobicContact CZ3-CB 3.71Å; W85-K92 HydrophobicContact CB-CB 4.24Å; W85-V94 HydrophobicContact CH2-CB 4.32Å; W85-V94 HydrophobicContact CH2-CG1 4.2Å; W85-V94 HydrophobicContact CZ2-CB 3.68Å; W85-V94 HydrophobicContact CZ2-CG1 3.46Å; W85-V94 VanDerWaalsContact CZ2-CG1 3.46Å; W85-V94 HydrophobicContact CZ2-CG2 4.42Å; W85-G95 VanDerWaalsContact CD1-CA 3.44Å; W85-G95 VanDerWaalsContact NE1-CA 3.32Å; W85-G95 VanDerWaalsContact NE1-N 3.15Å; W85-E436 HydrophobicContact CH2-CB 4.28Å; W85-E436 HydrophobicContact CH2-CG 3.99Å; W85-E436 HydrophobicContact CZ2-CB 4.37Å; W85-E436 HydrophobicContact CZ2-CG 4.05Å; W85-A439 HydrophobicContact CE3-CB 4.49Å; W85-A439 HydrophobicContact CH2-CB 3.86Å; W85-A439 HydrophobicContact CZ3-CB 3.42Å; W85-A439 VanDerWaalsContact CZ3-CB 3.42Å |
| 86 | H | 71.7 | Confident | 77.2 | Confident | 124 Ų | 124 | 52.8 Ų | 52.8 | 57% | 0.574 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -62.8 | -21.1 | 162.4 | -78.1 | -71.4 | 0 | 0 | 0 | 112.3 | R79 G83 I84 | R79-H86 PolarHBondContact NH1-CD2 3.46Å; G83-H86 PolarHBondContact O-CD2 3.06Å; I84-H86 PolarHBondContact O-N 3.36Å |
| 87 | I | 69.2 | Low | 77.1 | Confident | 67 Ų | 67 | 51.4 Ų | 51.4 | 34% | 0.344 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -65.6 | -36.2 | 172 | 64.8 | -172.5 | 0 | 0 | 0 | 112.7 | L73 L77 I84 W85 L443 | L73-I87 HydrophobicContact CD1-CD1 4.4Å; L77-I87 HydrophobicContact CD1-CD1 4.17Å; L77-I87 HydrophobicContact CD1-CG2 3.92Å; L77-I87 HydrophobicContact CD2-CG2 4.08Å; I84-I87 VanDerWaalsContact O-CG1 3.23Å; I84-I87 WeakPolarHBondContact O-CG1 3.47Å; I84-I87 WeakPolarHBondContact O-CG2 3.46Å; I84-I87 PolarHBondContact O-N 2.91Å; I84-I87 VanDerWaalsContact O-N 3.11Å; W85-I87 PolarHBondContact O-N 3.2Å; I87-L443 HydrophobicContact CB-CD1 4.13Å; I87-L443 HydrophobicContact CD1-CD1 3.52Å; I87-L443 HydrophobicContact CG1-CD1 3.49Å; I87-L443 VanDerWaalsContact CG1-CD1 3.49Å |
| 88 | C | 69.2 | Low | 77 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 5% | 0.054 | 28% | 0.278 | C | S | . | . | trans | -144.2 | 93.6 | 175.4 | -168.5 | 0 | 0 | 0 | 0 | 109.8 | W85 V90 F91 L443 | W85-C88 CarbonylContact O-C 3.59Å; W85-C88 PolarHBondContact O-N 3.02Å; W85-C88 VanDerWaalsContact O-O 3.08Å; C88-V90 PolarHBondContact O-N 2.85Å; C88-V90 VanDerWaalsContact O-N 3.11Å; C88-F91 HydrophobicContact CB-CD2 4.08Å; C88-F91 PolarHBondContact O-N 3.29Å; C88-F91 WeakPolarHBondContact SG-CD2 3.46Å; C88-L443 HydrophobicContact CB-CD1 3.76Å; C88-L443 HydrophobicContact CB-CD2 3.87Å; C88-L443 HydrophobicContact CB-CG 4.11Å | ||
| 89 | P | 69.6 | Low | 76.9 | Confident | 92 Ų | 92 | 48.8 Ų | 48.8 | 60% | 0.597 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -58.2 | -26.3 | -176.5 | -27.8 | 35.9 | 0 | 0 | 0 | 114.3 | F91 K92 | P89-F91 PolarHBondContact O-N 3.44Å; P89-K92 WeakPolarHBondContact O-CB 3.49Å; P89-K92 PolarHBondContact O-N 2.96Å; P89-K92 VanDerWaalsContact O-N 3.12Å |
| 90 | V | 67.7 | Low | 76.7 | Confident | 124 Ų | 124 | 47.6 Ų | 47.6 | 75% | 0.752 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -57.8 | -36.8 | 176.2 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | C88 | C88-V90 PolarHBondContact O-N 2.85Å; C88-V90 VanDerWaalsContact O-N 3.11Å |
| 91 | F | 74.4 | Confident | 76.8 | Confident | 36 Ų | 36 | 47 Ų | 47 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -94.2 | 12.7 | -179.5 | -64.7 | -73.4 | 0 | 0 | 0 | 113.8 | W85 C88 P89 G93 V94 F435 I438 A439 | W85-F91 HydrophobicContact CD2-CB 4.33Å; W85-F91 HydrophobicContact CE3-CB 3.57Å; W85-F91 HydrophobicContact CZ3-CB 3.71Å; C88-F91 HydrophobicContact CB-CD2 4.08Å; C88-F91 PolarHBondContact O-N 3.29Å; C88-F91 WeakPolarHBondContact SG-CD2 3.46Å; P89-F91 PolarHBondContact O-N 3.44Å; F91-G93 PolarHBondContact O-N 3.48Å; F91-V94 HydrophobicContact CB-CG2 4.19Å; F91-V94 HydrophobicContact CD1-CG2 4.37Å; F91-V94 VanDerWaalsContact O-CB 3.32Å; F91-V94 WeakPolarHBondContact O-CB 3.17Å; F91-V94 WeakPolarHBondContact O-CG2 3.4Å; F91-V94 PolarHBondContact O-N 3.2Å; F91-F435 HydrophobicContact CE1-CD1 4.16Å; F91-I438 HydrophobicContact CZ-CG2 4.29Å; F91-A439 HydrophobicContact CB-CB 3.8Å; F91-A439 HydrophobicContact CD1-CB 3.79Å; F91-A439 HydrophobicContact CD2-CB 3.23Å; F91-A439 HydrophobicContact CE1-CB 4.14Å; F91-A439 HydrophobicContact CE2-CB 3.63Å; F91-A439 HydrophobicContact CG-CB 3.33Å; F91-A439 HydrophobicContact CZ-CB 4.06Å |
| 92 | K | 71.6 | Confident | 76.9 | Confident | 105 Ų | 105 | 47 Ų | 47 | 46% | 0.457 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.4 | -26.9 | 175.9 | -170.7 | 178.6 | -179.4 | -175.3 | 0 | 113 | W85 P89 V94 G95 V96 | W85-K92 HydrophobicContact CB-CB 4.24Å; P89-K92 WeakPolarHBondContact O-CB 3.49Å; P89-K92 PolarHBondContact O-N 2.96Å; P89-K92 VanDerWaalsContact O-N 3.12Å; K92-V94 VanDerWaalsContact C-N 3.26Å; K92-V94 PolarHBondContact O-N 3.4Å; K92-G95 PolarHBondContact O-N 2.96Å; K92-V96 PolarHBondContact O-N 3.45Å |
| 93 | G | 72.2 | Confident | 77 | Confident | 44 Ų | 44 | 45.3 Ų | 45.3 | 45% | 0.454 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.7 | -30.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F91 V96 S97 | F91-G93 PolarHBondContact O-N 3.48Å; G93-V96 PolarHBondContact O-N 3.25Å; G93-S97 WeakPolarHBondContact O-CB 3.27Å; G93-S97 PolarHBondContact O-N 3.34Å; G93-S97 PolarHBondContact O-OG 3.46Å |
| 94 | V | 81.7 | Confident | 77.1 | Confident | 12 Ų | 12 | 47 Ų | 47 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 110 | W85 F91 K92 V96 S97 N98 I432 F435 E436 | W85-V94 HydrophobicContact CH2-CB 4.32Å; W85-V94 HydrophobicContact CH2-CG1 4.2Å; W85-V94 HydrophobicContact CZ2-CB 3.68Å; W85-V94 HydrophobicContact CZ2-CG1 3.46Å; W85-V94 VanDerWaalsContact CZ2-CG1 3.46Å; W85-V94 HydrophobicContact CZ2-CG2 4.42Å; F91-V94 HydrophobicContact CB-CG2 4.19Å; F91-V94 HydrophobicContact CD1-CG2 4.37Å; F91-V94 VanDerWaalsContact O-CB 3.32Å; F91-V94 WeakPolarHBondContact O-CB 3.17Å; F91-V94 WeakPolarHBondContact O-CG2 3.4Å; F91-V94 PolarHBondContact O-N 3.2Å; K92-V94 VanDerWaalsContact C-N 3.26Å; K92-V94 PolarHBondContact O-N 3.4Å; V94-V96 VanDerWaalsContact C-N 3.32Å; V94-V96 PolarHBondContact O-N 2.68Å; V94-S97 WeakPolarHBondContact O-CB 3.41Å; V94-S97 PolarHBondContact O-N 3.47Å; V94-N98 PolarHBondContact O-N 2.93Å; V94-I432 HydrophobicContact CG1-CG2 4.05Å; V94-F435 HydrophobicContact CG2-CB 3.76Å; V94-E436 HydrophobicContact CG1-CB 4.06Å |
| 95 | G | 79.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.4 | -33.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | S81 I82 W85 K92 V99 | S81-G95 WeakPolarHBondContact O-CA 3.48Å; I82-G95 WeakPolarHBondContact CG1-O 3.45Å; W85-G95 VanDerWaalsContact CD1-CA 3.44Å; W85-G95 VanDerWaalsContact NE1-CA 3.32Å; W85-G95 VanDerWaalsContact NE1-N 3.15Å; K92-G95 PolarHBondContact O-N 2.96Å; G95-V99 PolarHBondContact O-N 2.74Å |
| 96 | V | 76 | Confident | 77.7 | Confident | 66 Ų | 66 | 47 Ų | 47 | 40% | 0.4 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.9 | -44.1 | 173.8 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | K92 G93 V94 N98 V99 I100 | K92-V96 PolarHBondContact O-N 3.45Å; G93-V96 PolarHBondContact O-N 3.25Å; V94-V96 VanDerWaalsContact C-N 3.32Å; V94-V96 PolarHBondContact O-N 2.68Å; V96-N98 VanDerWaalsContact C-N 3.33Å; V96-N98 PolarHBondContact O-N 3.42Å; V96-V99 PolarHBondContact O-N 2.77Å; V96-I100 HydrophobicContact CG1-CD1 3.96Å; V96-I100 HydrophobicContact CG1-CG1 4.49Å; V96-I100 PolarHBondContact O-N 3Å |
| 97 | S | 80.8 | Confident | 78.4 | Confident | 48 Ų | 48 | 41.6 Ų | 41.6 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.3 | -43.4 | 176.9 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | G93 V94 V99 I100 V101 | G93-S97 WeakPolarHBondContact O-CB 3.27Å; G93-S97 PolarHBondContact O-N 3.34Å; G93-S97 PolarHBondContact O-OG 3.46Å; V94-S97 WeakPolarHBondContact O-CB 3.41Å; V94-S97 PolarHBondContact O-N 3.47Å; S97-V99 VanDerWaalsContact C-N 3.25Å; S97-V99 PolarHBondContact O-N 3.3Å; S97-I100 PolarHBondContact O-N 2.9Å; S97-I100 VanDerWaalsContact O-N 3.14Å; S97-V101 PolarHBondContact O-N 3.41Å |
| 98 | N | 83.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -51.2 | -43.5 | 171.7 | -81.7 | -18.3 | 0 | 0 | 0 | 112.2 | V94 V96 S102 G279 I432 | V94-N98 PolarHBondContact O-N 2.93Å; V96-N98 VanDerWaalsContact C-N 3.33Å; V96-N98 PolarHBondContact O-N 3.42Å; N98-S102 WeakPolarHBondContact O-CB 3.2Å; N98-S102 PolarHBondContact O-N 3.24Å; N98-S102 VanDerWaalsContact O-N 3.09Å; N98-G279 PolarHBondContact OD1-O 3.43Å; N98-I432 WeakPolarHBondContact OD1-CG2 3.48Å |
| 99 | V | 80 | Confident | 80.2 | Confident | 59 Ų | 59 | 38.6 Ų | 38.6 | 36% | 0.358 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -72.6 | -40.3 | 179.9 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | I82 G95 V96 S97 C103 | I82-V99 HydrophobicContact CD1-CG2 3.8Å; I82-V99 HydrophobicContact CG1-CG2 4.05Å; G95-V99 PolarHBondContact O-N 2.74Å; V96-V99 PolarHBondContact O-N 2.77Å; S97-V99 VanDerWaalsContact C-N 3.25Å; S97-V99 PolarHBondContact O-N 3.3Å; V99-C103 WeakPolarHBondContact O-CB 3.46Å; V99-C103 PolarHBondContact O-N 2.86Å |
| 100 | I | 80.3 | Confident | 81.2 | Confident | 93 Ų | 93 | 34.2 Ų | 34.2 | 48% | 0.477 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.7 | -51.1 | 178.9 | -66.5 | 170.4 | 0 | 0 | 0 | 110.5 | V96 S97 S102 C103 L104 | V96-I100 HydrophobicContact CG1-CD1 3.96Å; V96-I100 HydrophobicContact CG1-CG1 4.49Å; V96-I100 PolarHBondContact O-N 3Å; S97-I100 PolarHBondContact O-N 2.9Å; S97-I100 VanDerWaalsContact O-N 3.14Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 2.75Å; I100-C103 WeakPolarHBondContact O-CA 3.24Å; I100-C103 WeakPolarHBondContact O-CB 3.18Å; I100-C103 PolarHBondContact O-N 3.3Å; I100-L104 HydrophobicContact CG2-CD1 4.18Å; I100-L104 WeakPolarHBondContact O-CG 3.36Å; I100-L104 PolarHBondContact O-N 2.95Å |
| 101 | V | 82.7 | Confident | 82.5 | Confident | 11 Ų | 11 | 28.3 Ų | 28.3 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 180 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | S97 C103 L104 C105 Y280 A424 L429 I432 | S97-V101 PolarHBondContact O-N 3.41Å; V101-C103 VanDerWaalsContact C-N 3.31Å; V101-C103 PolarHBondContact O-N 2.84Å; V101-L104 PolarHBondContact O-N 2.97Å; V101-C105 VanDerWaalsContact O-CB 3.31Å; V101-C105 WeakPolarHBondContact O-CB 3.38Å; V101-C105 PolarHBondContact O-N 3.23Å; V101-Y280 HydrophobicContact CG1-CD1 3.85Å; V101-Y280 HydrophobicContact CG1-CE1 3.65Å; V101-A424 HydrophobicContact CG1-CB 4.31Å; V101-L429 HydrophobicContact CG1-CD2 3.67Å; V101-I432 HydrophobicContact CB-CD1 4.27Å; V101-I432 HydrophobicContact CG2-CD1 3.65Å |
| 102 | S | 83 | Confident | 83.3 | Confident | 6 Ų | 6 | 26.6 Ų | 26.6 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -40.8 | 171.4 | 174.5 | 0 | 0 | 0 | 0 | 112.3 | N98 I100 N106 L380 | N98-S102 WeakPolarHBondContact O-CB 3.2Å; N98-S102 PolarHBondContact O-N 3.24Å; N98-S102 VanDerWaalsContact O-N 3.09Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 2.75Å; S102-N106 WeakPolarHBondContact O-CB 3.32Å; S102-N106 PolarHBondContact O-N 2.76Å; S102-L380 WeakPolarHBondContact OG-CD2 3.11Å |
| 103 | C | 82.8 | Confident | 84.4 | Confident | 35 Ų | 35 | 21.6 Ų | 21.6 | 24% | 0.236 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66 | -46.7 | 177.7 | -170.1 | 0 | 0 | 0 | 0 | 111.9 | V99 I100 V101 N106 I107 | V99-C103 WeakPolarHBondContact O-CB 3.46Å; V99-C103 PolarHBondContact O-N 2.86Å; I100-C103 WeakPolarHBondContact O-CA 3.24Å; I100-C103 WeakPolarHBondContact O-CB 3.18Å; I100-C103 PolarHBondContact O-N 3.3Å; V101-C103 VanDerWaalsContact C-N 3.31Å; V101-C103 PolarHBondContact O-N 2.84Å; C103-N106 WeakPolarHBondContact O-CB 3.44Å; C103-N106 PolarHBondContact O-N 3.03Å; C103-I107 WeakPolarHBondContact O-CD1 2.88Å; C103-I107 VanDerWaalsContact O-CG1 3.29Å; C103-I107 WeakPolarHBondContact O-CG1 3.11Å; C103-I107 PolarHBondContact O-N 2.97Å; C103-I107 VanDerWaalsContact O-N 3.09Å |
| 104 | L | 83.7 | Confident | 85.5 | Confident | 53 Ų | 53 | 19.5 Ų | 19.5 | 28% | 0.277 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -60.3 | -48.1 | 177.7 | -69.1 | 174.4 | 0 | 0 | 0 | 111.2 | I100 V101 N106 I107 Y108 I419 | I100-L104 HydrophobicContact CG2-CD1 4.18Å; I100-L104 WeakPolarHBondContact O-CG 3.36Å; I100-L104 PolarHBondContact O-N 2.95Å; V101-L104 PolarHBondContact O-N 2.97Å; L104-N106 VanDerWaalsContact C-N 3.27Å; L104-N106 PolarHBondContact O-N 2.8Å; L104-I107 PolarHBondContact O-N 3.26Å; L104-Y108 VanDerWaalsContact O-CD1 3.31Å; L104-Y108 WeakPolarHBondContact O-CD1 3.39Å; L104-Y108 PolarHBondContact O-N 3.4Å; L104-I419 HydrophobicContact CB-CG2 4.2Å; L104-I419 HydrophobicContact CD2-CG2 4.37Å |
| 105 | C | 84.9 | Confident | 86.2 | Confident | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.02 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.7 | -44.7 | 176.6 | -177 | 0 | 0 | 0 | 0 | 112.4 | V101 I107 Y108 Y109 Y280 A424 | V101-C105 VanDerWaalsContact O-CB 3.31Å; V101-C105 WeakPolarHBondContact O-CB 3.38Å; V101-C105 PolarHBondContact O-N 3.23Å; C105-I107 VanDerWaalsContact C-N 3.34Å; C105-I107 PolarHBondContact O-N 2.97Å; C105-Y108 VanDerWaalsContact CA-CE1 3.41Å; C105-Y108 HydrophobicContact CB-CE1 4.16Å; C105-Y108 WeakPolarHBondContact O-CD1 3.14Å; C105-Y109 VanDerWaalsContact O-CB 3.32Å; C105-Y109 WeakPolarHBondContact O-CB 3.38Å; C105-Y109 PolarHBondContact O-N 2.95Å; C105-Y280 HydrophobicContact CB-CD1 4.45Å; C105-Y280 HydrophobicContact CB-CE1 3.65Å; C105-A424 HydrophobicContact CB-CB 3.91Å |
| 106 | N | 87.2 | Confident | 87 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.7 | -36.4 | -179.7 | -164.6 | -125.1 | 0 | 0 | 0 | 113.8 | S102 C103 L104 C110 W200 Q377 L380 K400 | S102-N106 WeakPolarHBondContact O-CB 3.32Å; S102-N106 PolarHBondContact O-N 2.76Å; C103-N106 WeakPolarHBondContact O-CB 3.44Å; C103-N106 PolarHBondContact O-N 3.03Å; L104-N106 VanDerWaalsContact C-N 3.27Å; L104-N106 PolarHBondContact O-N 2.8Å; N106-C110 WeakPolarHBondContact O-CB 3.47Å; N106-C110 PolarHBondContact O-N 3.32Å; N106-W200 VanDerWaalsContact OD1-CH2 3.3Å; N106-W200 WeakPolarHBondContact OD1-CH2 3.37Å; N106-Q377 WeakPolarHBondContact ND2-CA 3.44Å; N106-Q377 PolarHBondContact ND2-O 3.38Å; N106-L380 HydrophobicContact CB-CB 4.45Å; N106-L380 HydrophobicContact CB-CD1 3.95Å; N106-K400 WeakPolarHBondContact OD1-CD 3.15Å; N106-K400 WeakPolarHBondContact OD1-CE 3.47Å; N106-K400 PolarHBondContact OD1-NZ 3.22Å |
| 107 | I | 87.1 | Confident | 87.9 | Confident | 11 Ų | 11 | 16.9 Ų | 16.9 | 6% | 0.056 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.1 | -50.3 | -179.8 | -69.1 | 158.8 | 0 | 0 | 0 | 110.6 | C103 L104 C105 C110 V111 L403 L407 | C103-I107 WeakPolarHBondContact O-CD1 2.88Å; C103-I107 VanDerWaalsContact O-CG1 3.29Å; C103-I107 WeakPolarHBondContact O-CG1 3.11Å; C103-I107 PolarHBondContact O-N 2.97Å; C103-I107 VanDerWaalsContact O-N 3.09Å; L104-I107 PolarHBondContact O-N 3.26Å; C105-I107 VanDerWaalsContact C-N 3.34Å; C105-I107 PolarHBondContact O-N 2.97Å; I107-C110 VanDerWaalsContact O-CB 3.31Å; I107-C110 WeakPolarHBondContact O-CB 3.08Å; I107-C110 PolarHBondContact O-N 2.92Å; I107-V111 PolarHBondContact O-N 3.22Å; I107-L403 HydrophobicContact CD1-CB 3.71Å; I107-L403 HydrophobicContact CD1-CD1 3.91Å; I107-L403 HydrophobicContact CD1-CG 4.45Å; I107-L403 HydrophobicContact CG1-CB 4.25Å; I107-L407 HydrophobicContact CG2-CD1 4.16Å; I107-L407 HydrophobicContact CG2-CD2 4.14Å |
| 108 | Y | 86.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -77.7 | -31.2 | -176 | 84.9 | -100.2 | 0 | 0 | 0 | 112.9 | L104 C105 C110 V111 I112 Y274 L416 I419 D420 A424 | L104-Y108 VanDerWaalsContact O-CD1 3.31Å; L104-Y108 WeakPolarHBondContact O-CD1 3.39Å; L104-Y108 PolarHBondContact O-N 3.4Å; C105-Y108 VanDerWaalsContact CA-CE1 3.41Å; C105-Y108 HydrophobicContact CB-CE1 4.16Å; C105-Y108 WeakPolarHBondContact O-CD1 3.14Å; Y108-C110 PolarHBondContact O-N 2.94Å; Y108-V111 PolarHBondContact O-N 2.64Å; Y108-V111 VanDerWaalsContact O-N 3.12Å; Y108-I112 HydrophobicContact CD2-CD1 3.61Å; Y108-I112 HydrophobicContact CE2-CD1 3.83Å; Y108-I112 WeakPolarHBondContact O-CG1 3.39Å; Y108-I112 PolarHBondContact O-N 3.17Å; Y108-Y274 WeakPolarHBondContact OH-CE2 3.24Å; Y108-Y274 PolarHBondContact OH-OH 3.43Å; Y108-L416 HydrophobicContact CD2-CD1 4.39Å; Y108-L416 HydrophobicContact CD2-CG 4.32Å; Y108-I419 HydrophobicContact CD1-CG2 4.07Å; Y108-D420 HydrophobicContact CD2-CB 4.36Å; Y108-D420 HydrophobicContact CE1-CB 4.38Å; Y108-D420 HydrophobicContact CE2-CB 4.03Å; Y108-D420 WeakPolarHBondContact CE2-OD1 3.04Å; Y108-D420 PolarHBondContact OH-OD1 3.21Å; Y108-A424 HydrophobicContact CE1-CB 3.9Å |
| 109 | Y | 88.7 | Confident | 89.3 | Confident | 12 Ų | 12 | 15.5 Ų | 15.5 | 5% | 0.047 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.1 | -36.4 | 169 | -87.5 | 14.2 | 0 | 0 | 0 | 112.4 | L33 C105 V111 I112 S113 Y274 | L33-Y109 HydrophobicContact CD1-CD1 3.98Å; L33-Y109 HydrophobicContact CD1-CD2 4.5Å; L33-Y109 HydrophobicContact CD1-CE1 4.01Å; L33-Y109 HydrophobicContact CD1-CG 4.22Å; C105-Y109 VanDerWaalsContact O-CB 3.32Å; C105-Y109 WeakPolarHBondContact O-CB 3.38Å; C105-Y109 PolarHBondContact O-N 2.95Å; Y109-V111 VanDerWaalsContact C-N 3.32Å; Y109-V111 PolarHBondContact O-N 2.85Å; Y109-I112 HydrophobicContact CD1-CD1 4Å; Y109-I112 HydrophobicContact CE1-CD1 4.49Å; Y109-I112 PolarHBondContact O-N 3.39Å; Y109-S113 PolarHBondContact O-N 2.65Å; Y109-Y274 WeakPolarHBondContact CE1-OH 3.35Å; Y109-Y274 AromaticContact CZ-CZ 3.96Å; Y109-Y274 VanDerWaalsContact CZ-OH 3.27Å; Y109-Y274 WeakPolarHBondContact OH-CE1 3.34Å; Y109-Y274 PolarHBondContact OH-OH 3.13Å |
| 110 | C | 92 | Very high | 90.1 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 174 | -166.7 | 0 | 0 | 0 | 0 | 111.7 | N106 I107 Y108 I112 S113 V114 L196 V199 W200 Q377 | N106-C110 WeakPolarHBondContact O-CB 3.47Å; N106-C110 PolarHBondContact O-N 3.32Å; I107-C110 VanDerWaalsContact O-CB 3.31Å; I107-C110 WeakPolarHBondContact O-CB 3.08Å; I107-C110 PolarHBondContact O-N 2.92Å; Y108-C110 PolarHBondContact O-N 2.94Å; C110-I112 VanDerWaalsContact C-N 3.33Å; C110-I112 PolarHBondContact O-N 2.83Å; C110-S113 WeakPolarHBondContact O-CB 3.32Å; C110-S113 PolarHBondContact O-N 3Å; C110-V114 WeakPolarHBondContact O-CG2 3.46Å; C110-V114 PolarHBondContact O-N 3.49Å; C110-L196 HydrophobicContact CB-CD1 4.44Å; C110-L196 VanDerWaalsContact SG-CD1 3.58Å; C110-V199 WeakPolarHBondContact SG-CG1 3.31Å; C110-W200 HydrophobicContact CB-CZ2 4.04Å; C110-W200 VanDerWaalsContact SG-CE2 3.59Å; C110-W200 PolarHBondContact SG-NE1 3.09Å; C110-Q377 HydrophobicContact CB-CG 4.46Å; C110-Q377 PolarHBondContact SG-OE1 3.32Å |
| 111 | V | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64 | -37.9 | 176.8 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | I107 Y108 Y109 S113 V114 W115 L407 V408 L416 | I107-V111 PolarHBondContact O-N 3.22Å; Y108-V111 PolarHBondContact O-N 2.64Å; Y108-V111 VanDerWaalsContact O-N 3.12Å; Y109-V111 VanDerWaalsContact C-N 3.32Å; Y109-V111 PolarHBondContact O-N 2.85Å; V111-S113 PolarHBondContact O-N 3.36Å; V111-V114 WeakPolarHBondContact O-CB 3.45Å; V111-V114 PolarHBondContact O-N 2.81Å; V111-V114 VanDerWaalsContact O-N 3.13Å; V111-W115 HydrophobicContact CG1-CD2 4.12Å; V111-W115 HydrophobicContact CG1-CH2 4.3Å; V111-W115 HydrophobicContact CG1-CZ2 3.62Å; V111-W115 PolarHBondContact O-N 3.42Å; V111-L407 HydrophobicContact CB-CB 4.49Å; V111-L407 HydrophobicContact CG1-CB 4.43Å; V111-L407 HydrophobicContact CG2-CB 3.6Å; V111-L407 HydrophobicContact CG2-CD2 4.02Å; V111-L407 HydrophobicContact CG2-CG 4.47Å; V111-V408 HydrophobicContact CG1-CG1 4.49Å; V111-V408 HydrophobicContact CG2-CG1 4.41Å; V111-L416 HydrophobicContact CB-CD1 3.95Å; V111-L416 HydrophobicContact CG1-CD1 3.89Å |
| 112 | I | 92.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 174.4 | -64 | 156.3 | 0 | 0 | 0 | 111.3 | L33 W37 Y108 Y109 C110 V114 W115 S116 F345 I369 L416 | L33-I112 HydrophobicContact CD1-CB 4.11Å; L33-I112 HydrophobicContact CD1-CD1 4.03Å; L33-I112 HydrophobicContact CD1-CG2 3.66Å; L33-I112 HydrophobicContact CD2-CG2 4.44Å; W37-I112 HydrophobicContact CH2-CB 4.44Å; W37-I112 HydrophobicContact CH2-CD1 3.38Å; W37-I112 HydrophobicContact CH2-CG1 3.8Å; W37-I112 HydrophobicContact CH2-CG2 3.8Å; W37-I112 HydrophobicContact CZ2-CD1 3.64Å; W37-I112 HydrophobicContact CZ3-CG2 4.26Å; Y108-I112 HydrophobicContact CD2-CD1 3.61Å; Y108-I112 HydrophobicContact CE2-CD1 3.83Å; Y108-I112 WeakPolarHBondContact O-CG1 3.39Å; Y108-I112 PolarHBondContact O-N 3.17Å; Y109-I112 HydrophobicContact CD1-CD1 4Å; Y109-I112 HydrophobicContact CE1-CD1 4.49Å; Y109-I112 PolarHBondContact O-N 3.39Å; C110-I112 VanDerWaalsContact C-N 3.33Å; C110-I112 PolarHBondContact O-N 2.83Å; I112-V114 VanDerWaalsContact C-N 3.3Å; I112-V114 PolarHBondContact O-N 3.41Å; I112-W115 HydrophobicContact CG1-CE3 4.29Å; I112-W115 HydrophobicContact CG1-CZ3 4.33Å; I112-W115 PolarHBondContact O-N 2.9Å; I112-S116 WeakPolarHBondContact O-CB 3.49Å; I112-S116 PolarHBondContact O-N 3.47Å; I112-S116 PolarHBondContact O-OG 3.42Å; I112-F345 HydrophobicContact CG2-CE2 4.05Å; I112-F345 HydrophobicContact CG2-CZ 4.01Å; I112-I369 HydrophobicContact CG2-CG2 4.24Å; I112-L416 HydrophobicContact CG1-CD1 4.16Å |
| 113 | S | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61 | -39.7 | 171.6 | -72.7 | 0 | 0 | 0 | 0 | 111.8 | Y109 C110 V111 S116 L117 F370 G373 Q377 | Y109-S113 PolarHBondContact O-N 2.65Å; C110-S113 WeakPolarHBondContact O-CB 3.32Å; C110-S113 PolarHBondContact O-N 3Å; V111-S113 PolarHBondContact O-N 3.36Å; S113-S116 PolarHBondContact O-N 2.89Å; S113-L117 WeakPolarHBondContact O-CB 3.33Å; S113-L117 PolarHBondContact O-N 2.9Å; S113-F370 WeakPolarHBondContact O-CD2 3.42Å; S113-G373 VanDerWaalsContact OG-CA 3.27Å; S113-G373 WeakPolarHBondContact OG-CA 3.06Å; S113-Q377 PolarHBondContact OG-NE2 2.75Å |
| 114 | V | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.3 | -47.7 | 177 | 165.8 | 0 | 0 | 0 | 0 | 111.5 | C110 V111 I112 S116 L117 F118 L192 L195 L196 V199 | C110-V114 WeakPolarHBondContact O-CG2 3.46Å; C110-V114 PolarHBondContact O-N 3.49Å; V111-V114 WeakPolarHBondContact O-CB 3.45Å; V111-V114 PolarHBondContact O-N 2.81Å; V111-V114 VanDerWaalsContact O-N 3.13Å; I112-V114 VanDerWaalsContact C-N 3.3Å; I112-V114 PolarHBondContact O-N 3.41Å; V114-S116 VanDerWaalsContact C-N 3.32Å; V114-S116 PolarHBondContact O-N 3.42Å; V114-L117 PolarHBondContact O-N 3.22Å; V114-F118 PolarHBondContact O-N 3.18Å; V114-L192 HydrophobicContact CG1-CB 4.13Å; V114-L192 HydrophobicContact CG1-CD2 4.03Å; V114-L195 HydrophobicContact CG1-CB 3.74Å; V114-L195 HydrophobicContact CG1-CD1 4.47Å; V114-L195 HydrophobicContact CG2-CB 4.48Å; V114-L196 VanDerWaalsContact CG2-CA 3.41Å; V114-L196 HydrophobicContact CG2-CB 3.91Å; V114-L196 HydrophobicContact CG2-CD1 3.9Å; V114-V199 HydrophobicContact CG2-CB 4.38Å; V114-V199 HydrophobicContact CG2-CG2 3.99Å |
| 115 | W | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 174.6 | -61.6 | -22.2 | 0 | 0 | 0 | 111.2 | V111 I112 L117 F118 Y119 W171 L175 L176 V341 F345 Q413 L416 | V111-W115 HydrophobicContact CG1-CD2 4.12Å; V111-W115 HydrophobicContact CG1-CH2 4.3Å; V111-W115 HydrophobicContact CG1-CZ2 3.62Å; V111-W115 PolarHBondContact O-N 3.42Å; I112-W115 HydrophobicContact CG1-CE3 4.29Å; I112-W115 HydrophobicContact CG1-CZ3 4.33Å; I112-W115 PolarHBondContact O-N 2.9Å; W115-L117 VanDerWaalsContact C-N 3.32Å; W115-L117 PolarHBondContact O-N 3.28Å; W115-F118 WeakPolarHBondContact O-CB 3.5Å; W115-F118 PolarHBondContact O-N 3.37Å; W115-Y119 VanDerWaalsContact O-CD2 3.32Å; W115-Y119 WeakPolarHBondContact O-CD2 3.48Å; W115-Y119 PolarHBondContact O-N 2.94Å; W115-W171 AromaticContact CD2-CH2 3.91Å; W115-W171 HydrophobicContact CD2-CH2 3.91Å; W115-W171 HydrophobicContact CD2-CZ3 4.35Å; W115-W171 AromaticContact CE3-CH2 3.58Å; W115-W171 HydrophobicContact CE3-CH2 3.58Å; W115-W171 HydrophobicContact CE3-CZ3 4.34Å; W115-W171 HydrophobicContact CG-CH2 4.5Å; W115-W171 HydrophobicContact CG-CZ3 4.49Å; W115-W171 HydrophobicContact CH2-CH2 4.28Å; W115-W171 AromaticContact CZ3-CH2 3.78Å; W115-W171 HydrophobicContact CZ3-CH2 3.78Å; W115-W171 HydrophobicContact CZ3-CZ2 4.31Å; W115-L175 HydrophobicContact CG-CD2 4.14Å; W115-L176 HydrophobicContact CZ2-CD2 3.73Å; W115-V341 HydrophobicContact CZ3-CG1 4.47Å; W115-F345 HydrophobicContact CB-CD1 4.48Å; W115-F345 HydrophobicContact CB-CE1 3.76Å; W115-F345 HydrophobicContact CB-CE2 4.38Å; W115-F345 HydrophobicContact CB-CZ 3.7Å; W115-F345 HydrophobicContact CE3-CD2 4.19Å; W115-F345 AromaticContact CE3-CE2 3.73Å; W115-F345 HydrophobicContact CE3-CE2 3.73Å; W115-F345 HydrophobicContact CE3-CZ 4.18Å; W115-F345 HydrophobicContact CZ3-CE2 4.46Å; W115-Q413 HydrophobicContact CH2-CB 4.45Å; W115-L416 HydrophobicContact CH2-CB 4.39Å; W115-L416 HydrophobicContact CH2-CD1 3.61Å; W115-L416 HydrophobicContact CH2-CD2 4.11Å; W115-L416 HydrophobicContact CH2-CG 4.24Å; W115-L416 HydrophobicContact CZ2-CD1 4.24Å; W115-L416 HydrophobicContact CZ3-CD1 3.89Å; W115-L416 HydrophobicContact CZ3-CD2 4.23Å |
| 116 | S | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 177.4 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | I112 S113 V114 F118 Y119 I120 I369 | I112-S116 WeakPolarHBondContact O-CB 3.49Å; I112-S116 PolarHBondContact O-N 3.47Å; I112-S116 PolarHBondContact O-OG 3.42Å; S113-S116 PolarHBondContact O-N 2.89Å; V114-S116 VanDerWaalsContact C-N 3.32Å; V114-S116 PolarHBondContact O-N 3.42Å; S116-F118 VanDerWaalsContact C-N 3.33Å; S116-F118 PolarHBondContact O-N 3.26Å; S116-Y119 PolarHBondContact O-N 3.33Å; S116-I120 WeakPolarHBondContact O-CG1 3.34Å; S116-I120 PolarHBondContact O-N 2.91Å; S116-I369 WeakPolarHBondContact OG-CG2 3.18Å |
| 117 | L | 95.9 | Very high | 93.3 | Very high | 23 Ų | 23 | 33.5 Ų | 33.5 | 12% | 0.12 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.9 | -38.4 | 177.5 | -173.6 | 59.3 | 0 | 0 | 0 | 112 | S113 V114 W115 I120 F121 L195 V199 F370 | S113-L117 WeakPolarHBondContact O-CB 3.33Å; S113-L117 PolarHBondContact O-N 2.9Å; V114-L117 PolarHBondContact O-N 3.22Å; W115-L117 VanDerWaalsContact C-N 3.32Å; W115-L117 PolarHBondContact O-N 3.28Å; L117-I120 HydrophobicContact CD1-CD1 4.42Å; L117-I120 PolarHBondContact O-N 2.98Å; L117-F121 HydrophobicContact CD1-CD2 4.47Å; L117-F121 HydrophobicContact CD1-CE2 3.81Å; L117-F121 HydrophobicContact CD1-CZ 3.89Å; L117-F121 HydrophobicContact CD2-CE2 4.17Å; L117-F121 HydrophobicContact CG-CD2 4.2Å; L117-F121 HydrophobicContact CG-CE2 3.61Å; L117-F121 HydrophobicContact CG-CZ 4.19Å; L117-F121 VanDerWaalsContact O-CD2 3.25Å; L117-F121 WeakPolarHBondContact O-CD2 3.47Å; L117-F121 PolarHBondContact O-N 2.69Å; L117-F121 VanDerWaalsContact O-N 3.1Å; L117-L195 HydrophobicContact CD2-CD2 3.9Å; L117-L195 HydrophobicContact CG-CD2 4.2Å; L117-V199 HydrophobicContact CD2-CG2 4.17Å; L117-F370 HydrophobicContact CB-CD2 4Å; L117-F370 HydrophobicContact CB-CE2 4.01Å; L117-F370 HydrophobicContact CD1-CE2 4.23Å; L117-F370 HydrophobicContact CD1-CZ 4.39Å; L117-F370 HydrophobicContact CD2-CE2 4.08Å; L117-F370 HydrophobicContact CD2-CZ 4.48Å; L117-F370 HydrophobicContact CG-CE2 4.34Å |
| 118 | F | 97 | Very high | 93.6 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 9% | 0.088 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 172.2 | -172.7 | -82 | 0 | 0 | 0 | 111.6 | V114 W115 S116 I120 F121 A122 F170 L175 E191 L192 L195 | V114-F118 PolarHBondContact O-N 3.18Å; W115-F118 WeakPolarHBondContact O-CB 3.5Å; W115-F118 PolarHBondContact O-N 3.37Å; S116-F118 VanDerWaalsContact C-N 3.33Å; S116-F118 PolarHBondContact O-N 3.26Å; F118-I120 VanDerWaalsContact C-N 3.34Å; F118-I120 PolarHBondContact O-N 2.96Å; F118-F121 PolarHBondContact O-N 3.03Å; F118-A122 WeakPolarHBondContact O-CB 3.15Å; F118-A122 PolarHBondContact O-N 2.89Å; F118-F170 HydrophobicContact CD1-CZ 4.34Å; F118-F170 HydrophobicContact CE1-CE1 4.25Å; F118-F170 HydrophobicContact CE1-CE2 4.5Å; F118-F170 AromaticContact CE1-CZ 3.71Å; F118-F170 HydrophobicContact CE1-CZ 3.71Å; F118-L175 HydrophobicContact CB-CD1 4.32Å; F118-L175 HydrophobicContact CD1-CB 4.45Å; F118-L175 HydrophobicContact CD1-CD1 3.53Å; F118-L175 HydrophobicContact CD1-CG 3.94Å; F118-L175 HydrophobicContact CE1-CB 4.19Å; F118-L175 HydrophobicContact CE1-CD1 4.08Å; F118-L175 HydrophobicContact CE1-CG 4.16Å; F118-L175 HydrophobicContact CG-CD1 4.1Å; F118-L175 HydrophobicContact CG-CG 4.31Å; F118-E191 HydrophobicContact CE2-CB 4.43Å; F118-E191 WeakPolarHBondContact CE2-OE2 3.27Å; F118-L192 HydrophobicContact CD2-CD2 4.14Å; F118-L195 HydrophobicContact CB-CD1 3.78Å; F118-L195 HydrophobicContact CD2-CD1 3.99Å; F118-L195 HydrophobicContact CG-CD1 4.39Å |
| 119 | Y | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -35.1 | 176 | -86.5 | -91.5 | 0 | 0 | 0 | 113 | W115 S116 A122 S123 W130 F170 W171 L175 F345 P349 F366 | W115-Y119 VanDerWaalsContact O-CD2 3.32Å; W115-Y119 WeakPolarHBondContact O-CD2 3.48Å; W115-Y119 PolarHBondContact O-N 2.94Å; S116-Y119 PolarHBondContact O-N 3.33Å; Y119-A122 PolarHBondContact O-N 3.09Å; Y119-S123 WeakPolarHBondContact O-CB 3.07Å; Y119-S123 PolarHBondContact O-N 2.84Å; Y119-S123 PolarHBondContact O-OG 3.17Å; Y119-W130 HydrophobicContact CD1-CE3 4.16Å; Y119-W130 AromaticContact CD1-CH2 3.46Å; Y119-W130 HydrophobicContact CD1-CH2 3.46Å; Y119-W130 VanDerWaalsContact CD1-CH2 3.46Å; Y119-W130 HydrophobicContact CD1-CZ2 4.1Å; Y119-W130 AromaticContact CD1-CZ3 3.48Å; Y119-W130 HydrophobicContact CD1-CZ3 3.48Å; Y119-W130 VanDerWaalsContact CD1-CZ3 3.48Å; Y119-W130 HydrophobicContact CE1-CD2 4.45Å; Y119-W130 HydrophobicContact CE1-CE3 4.03Å; Y119-W130 HydrophobicContact CE1-CH2 4.09Å; Y119-W130 HydrophobicContact CE1-CZ2 4.47Å; Y119-W130 AromaticContact CE1-CZ3 3.83Å; Y119-W130 HydrophobicContact CE1-CZ3 3.83Å; Y119-W130 HydrophobicContact CG-CH2 4.48Å; Y119-W130 HydrophobicContact CG-CZ3 4.49Å; Y119-F170 HydrophobicContact CD1-CE1 4.09Å; Y119-F170 AromaticContact CE1-CD1 3.89Å; Y119-F170 HydrophobicContact CE1-CD1 3.89Å; Y119-F170 AromaticContact CE1-CE1 3.6Å; Y119-F170 HydrophobicContact CE1-CE1 3.6Å; Y119-F170 HydrophobicContact CE2-CE1 4.38Å; Y119-F170 AromaticContact CZ-CD1 3.92Å; Y119-F170 AromaticContact CZ-CE1 3.76Å; Y119-W171 AromaticContact CE2-CE3 3.98Å; Y119-W171 HydrophobicContact CE2-CE3 3.98Å; Y119-W171 HydrophobicContact CE2-CZ3 4.04Å; Y119-L175 HydrophobicContact CD2-CD1 3.64Å; Y119-L175 HydrophobicContact CE2-CD1 3.23Å; Y119-F345 AromaticContact CD2-CD1 3.65Å; Y119-F345 HydrophobicContact CD2-CD1 3.65Å; Y119-F345 AromaticContact CD2-CE1 3.94Å; Y119-F345 HydrophobicContact CD2-CE1 3.94Å; Y119-F345 HydrophobicContact CE2-CB 4.29Å; Y119-F345 AromaticContact CE2-CD1 3.38Å; Y119-F345 HydrophobicContact CE2-CD1 3.38Å; Y119-F345 HydrophobicContact CE2-CE1 4.1Å; Y119-F345 HydrophobicContact CE2-CG 4.24Å; Y119-F345 PolarHBondContact OH-O 3.39Å; Y119-P349 HydrophobicContact CD1-CG 4.41Å; Y119-P349 HydrophobicContact CE1-CB 4.34Å; Y119-P349 HydrophobicContact CE1-CG 3.83Å; Y119-F366 HydrophobicContact CD1-CD2 4.19Å; Y119-F366 HydrophobicContact CD1-CE1 4.1Å; Y119-F366 AromaticContact CD1-CE2 3.4Å; Y119-F366 HydrophobicContact CD1-CE2 3.4Å; Y119-F366 AromaticContact CD1-CZ 3.34Å; Y119-F366 HydrophobicContact CD1-CZ 3.34Å; Y119-F366 HydrophobicContact CD2-CE1 4.05Å; Y119-F366 HydrophobicContact CD2-CZ 4.09Å; Y119-F366 HydrophobicContact CE1-CE2 4.24Å; Y119-F366 AromaticContact CE1-CZ 3.88Å; Y119-F366 HydrophobicContact CE1-CZ 3.88Å; Y119-F366 HydrophobicContact CG-CD1 4.17Å; Y119-F366 HydrophobicContact CG-CD2 4.13Å; Y119-F366 AromaticContact CG-CE1 3.76Å; Y119-F366 HydrophobicContact CG-CE1 3.76Å; Y119-F366 AromaticContact CG-CE2 3.7Å; Y119-F366 HydrophobicContact CG-CE2 3.7Å; Y119-F366 HydrophobicContact CG-CG 4.34Å; Y119-F366 AromaticContact CG-CZ 3.48Å; Y119-F366 HydrophobicContact CG-CZ 3.48Å; Y119-F366 VanDerWaalsContact CG-CZ 3.48Å |
| 120 | I | 96.5 | Very high | 94.1 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 8% | 0.077 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -51.1 | 173.5 | -67.7 | 167.4 | 0 | 0 | 0 | 110 | S116 L117 F118 A122 S123 F124 F366 F370 | S116-I120 WeakPolarHBondContact O-CG1 3.34Å; S116-I120 PolarHBondContact O-N 2.91Å; L117-I120 HydrophobicContact CD1-CD1 4.42Å; L117-I120 PolarHBondContact O-N 2.98Å; F118-I120 VanDerWaalsContact C-N 3.34Å; F118-I120 PolarHBondContact O-N 2.96Å; I120-A122 VanDerWaalsContact C-N 3.32Å; I120-A122 PolarHBondContact O-N 2.9Å; I120-S123 WeakPolarHBondContact O-CB 3.42Å; I120-S123 PolarHBondContact O-N 3.5Å; I120-F124 HydrophobicContact CG2-CE1 4.46Å; I120-F124 HydrophobicContact CG2-CE2 4.2Å; I120-F124 HydrophobicContact CG2-CZ 3.85Å; I120-F124 PolarHBondContact O-N 3.42Å; I120-F366 HydrophobicContact CD1-CB 4.46Å; I120-F366 HydrophobicContact CG1-CB 3.66Å; I120-F370 HydrophobicContact CD1-CB 3.94Å; I120-F370 HydrophobicContact CD1-CG 4.29Å |
| 121 | F | 96.4 | Very high | 94 | Very high | 108 Ų | 108 | 36 Ų | 36 | 47% | 0.474 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 178.7 | -67.7 | -47 | 0 | 0 | 0 | 112.4 | L117 F118 S123 F124 L195 | L117-F121 HydrophobicContact CD1-CD2 4.47Å; L117-F121 HydrophobicContact CD1-CE2 3.81Å; L117-F121 HydrophobicContact CD1-CZ 3.89Å; L117-F121 HydrophobicContact CD2-CE2 4.17Å; L117-F121 HydrophobicContact CG-CD2 4.2Å; L117-F121 HydrophobicContact CG-CE2 3.61Å; L117-F121 HydrophobicContact CG-CZ 4.19Å; L117-F121 VanDerWaalsContact O-CD2 3.25Å; L117-F121 WeakPolarHBondContact O-CD2 3.47Å; L117-F121 PolarHBondContact O-N 2.69Å; L117-F121 VanDerWaalsContact O-N 3.1Å; F118-F121 PolarHBondContact O-N 3.03Å; F121-S123 PolarHBondContact O-N 2.92Å; F121-F124 HydrophobicContact CD1-CD2 4.31Å; F121-F124 HydrophobicContact CD1-CE2 4.05Å; F121-F124 PolarHBondContact O-N 2.93Å; F121-L195 HydrophobicContact CD2-CD2 4.1Å; F121-L195 HydrophobicContact CE2-CD2 3.6Å |
| 122 | A | 95.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -29.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F118 Y119 I120 F124 N125 P129 W130 F170 | F118-A122 WeakPolarHBondContact O-CB 3.15Å; F118-A122 PolarHBondContact O-N 2.89Å; Y119-A122 PolarHBondContact O-N 3.09Å; I120-A122 VanDerWaalsContact C-N 3.32Å; I120-A122 PolarHBondContact O-N 2.9Å; A122-F124 VanDerWaalsContact C-N 3.28Å; A122-F124 PolarHBondContact O-N 3.42Å; A122-N125 PolarHBondContact O-N 3.11Å; A122-N125 PolarHBondContact O-ND2 3.35Å; A122-P129 HydrophobicContact CB-CG 4.15Å; A122-P129 VanDerWaalsContact O-CD 3.27Å; A122-P129 WeakPolarHBondContact O-CD 3.24Å; A122-W130 HydrophobicContact CB-CH2 4.44Å; A122-W130 HydrophobicContact CB-CZ3 3.79Å; A122-F170 HydrophobicContact CB-CZ 3.99Å |
| 123 | S | 95.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -9.5 | 180 | -58.2 | 0 | 0 | 0 | 0 | 114.1 | Y119 I120 F121 N125 P359 S362 T363 | Y119-S123 WeakPolarHBondContact O-CB 3.07Å; Y119-S123 PolarHBondContact O-N 2.84Å; Y119-S123 PolarHBondContact O-OG 3.17Å; I120-S123 WeakPolarHBondContact O-CB 3.42Å; I120-S123 PolarHBondContact O-N 3.5Å; F121-S123 PolarHBondContact O-N 2.92Å; S123-N125 PolarHBondContact O-N 2.68Å; S123-P359 WeakPolarHBondContact O-CB 3.44Å; S123-S362 WeakPolarHBondContact OG-CB 3.31Å; S123-S362 PolarHBondContact OG-OG 3.32Å; S123-T363 VanDerWaalsContact CB-OG1 3.3Å; S123-T363 WeakPolarHBondContact CB-OG1 3.45Å |
| 124 | F | 94 | Very high | 93.1 | Very high | 140 Ų | 140 | 43.1 Ų | 43.1 | 61% | 0.614 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -4.5 | 173.9 | -64.1 | -34.5 | 0 | 0 | 0 | 113.9 | I120 F121 A122 T363 | I120-F124 HydrophobicContact CG2-CE1 4.46Å; I120-F124 HydrophobicContact CG2-CE2 4.2Å; I120-F124 HydrophobicContact CG2-CZ 3.85Å; I120-F124 PolarHBondContact O-N 3.42Å; F121-F124 HydrophobicContact CD1-CD2 4.31Å; F121-F124 HydrophobicContact CD1-CE2 4.05Å; F121-F124 PolarHBondContact O-N 2.93Å; A122-F124 VanDerWaalsContact C-N 3.28Å; A122-F124 PolarHBondContact O-N 3.42Å; F124-T363 HydrophobicContact CE1-CG2 3.97Å |
| 125 | N | 91.3 | Very high | 92.9 | Very high | 84 Ų | 84 | 45.9 Ų | 45.9 | 45% | 0.449 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -71 | 144.6 | 169.6 | -68.2 | -76.5 | 0 | 0 | 0 | 110.8 | A122 S123 R127 | A122-N125 PolarHBondContact O-N 3.11Å; A122-N125 PolarHBondContact O-ND2 3.35Å; S123-N125 PolarHBondContact O-N 2.68Å; N125-R127 WeakPolarHBondContact CB-O 3.13Å; N125-R127 PolarHBondContact O-N 2.67Å |
| 126 | V | 88.2 | Confident | 92.8 | Very high | 151 Ų | 151 | 54.5 Ų | 54.5 | 92% | 0.915 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -55.7 | -38.4 | 178.3 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | P359 | V126-P359 WeakPolarHBondContact O-CG 3.08Š|
| 127 | R | 90.5 | Very high | 92.7 | Very high | 126 Ų | 126 | 56.1 Ų | 56.1 | 48% | 0.475 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -116.2 | 136.6 | 170.6 | -168.3 | 179.1 | -168.3 | 177 | 2.4 | 108.2 | N125 H131 D132 | N125-R127 WeakPolarHBondContact CB-O 3.13Å; N125-R127 PolarHBondContact O-N 2.67Å; R127-H131 HydrophobicContact CG-CB 3.89Å; R127-H131 VanDerWaalsContact NE-CG 3.25Å; R127-H131 PolarHBondContact NE-ND1 2.75Å; R127-H131 PolarHBondContact NH2-CE1 2.78Å; R127-H131 PolarHBondContact NH2-ND1 3.11Å; R127-D132 IonicContact NE-OD1 3.91Å |
| 128 | L | 93.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | trans | -59.5 | 133.6 | 177.7 | -68.4 | 174.4 | 0 | 0 | 0 | 110.2 | W130 H131 V352 R353 P359 | L128-W130 HydrophobicContact CB-CD2 4.25Å; L128-W130 HydrophobicContact CB-CZ2 4.25Å; L128-W130 HydrophobicContact CD1-CZ2 4.01Å; L128-W130 HydrophobicContact CD2-CH2 3.93Å; L128-W130 HydrophobicContact CD2-CZ2 3.55Å; L128-W130 HydrophobicContact CG-CZ2 4.14Å; L128-W130 PolarHBondContact O-N 3.37Å; L128-W130 VanDerWaalsContact O-N 3.08Å; L128-H131 HydrophobicContact CB-CB 4.45Å; L128-H131 WeakPolarHBondContact O-CB 3.35Å; L128-H131 PolarHBondContact O-N 2.89Å; L128-V352 HydrophobicContact CD1-CG2 4.3Å; L128-R353 HydrophobicContact CD1-CB 4.23Å; L128-P359 HydrophobicContact CD2-CB 4.22Å; L128-P359 HydrophobicContact CD2-CG 4.11Å; L128-P359 HydrophobicContact CG-CG 4.03Å | ||
| 129 | P | 93.2 | Very high | 92.1 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.1 | -179.2 | -27.7 | 37.1 | 0 | 0 | 0 | 114.8 | A122 H135 W137 F170 | A122-P129 HydrophobicContact CB-CG 4.15Å; A122-P129 VanDerWaalsContact O-CD 3.27Å; A122-P129 WeakPolarHBondContact O-CD 3.24Å; P129-H135 PolarHBondContact O-CD2 3.4Å; P129-H135 VanDerWaalsContact O-CD2 3.29Å; P129-H135 PolarHBondContact O-NE2 3.31Å; P129-W137 HydrophobicContact CB-CH2 4.29Å; P129-W137 HydrophobicContact CB-CZ2 4.03Å; P129-F170 HydrophobicContact CB-CD2 4.08Å; P129-F170 HydrophobicContact CB-CE2 3.67Å; P129-F170 HydrophobicContact CB-CZ 4.49Å; P129-F170 HydrophobicContact CG-CE2 4.42Å |
| 130 | W | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 17.7 | 175.7 | 55.8 | 81.8 | 0 | 0 | 0 | 113.4 | Y119 A122 L128 V167 F170 P349 S362 | Y119-W130 HydrophobicContact CD1-CE3 4.16Å; Y119-W130 AromaticContact CD1-CH2 3.46Å; Y119-W130 HydrophobicContact CD1-CH2 3.46Å; Y119-W130 VanDerWaalsContact CD1-CH2 3.46Å; Y119-W130 HydrophobicContact CD1-CZ2 4.1Å; Y119-W130 AromaticContact CD1-CZ3 3.48Å; Y119-W130 HydrophobicContact CD1-CZ3 3.48Å; Y119-W130 VanDerWaalsContact CD1-CZ3 3.48Å; Y119-W130 HydrophobicContact CE1-CD2 4.45Å; Y119-W130 HydrophobicContact CE1-CE3 4.03Å; Y119-W130 HydrophobicContact CE1-CH2 4.09Å; Y119-W130 HydrophobicContact CE1-CZ2 4.47Å; Y119-W130 AromaticContact CE1-CZ3 3.83Å; Y119-W130 HydrophobicContact CE1-CZ3 3.83Å; Y119-W130 HydrophobicContact CG-CH2 4.48Å; Y119-W130 HydrophobicContact CG-CZ3 4.49Å; A122-W130 HydrophobicContact CB-CH2 4.44Å; A122-W130 HydrophobicContact CB-CZ3 3.79Å; L128-W130 HydrophobicContact CB-CD2 4.25Å; L128-W130 HydrophobicContact CB-CZ2 4.25Å; L128-W130 HydrophobicContact CD1-CZ2 4.01Å; L128-W130 HydrophobicContact CD2-CH2 3.93Å; L128-W130 HydrophobicContact CD2-CZ2 3.55Å; L128-W130 HydrophobicContact CG-CZ2 4.14Å; L128-W130 PolarHBondContact O-N 3.37Å; L128-W130 VanDerWaalsContact O-N 3.08Å; W130-V167 HydrophobicContact CB-CB 4.41Å; W130-V167 HydrophobicContact CB-CG2 3.77Å; W130-V167 VanDerWaalsContact CD1-CG2 3.5Å; W130-V167 HydrophobicContact CG-CG2 3.88Å; W130-F170 HydrophobicContact CB-CB 3.83Å; W130-F170 HydrophobicContact CB-CD1 4.44Å; W130-F170 HydrophobicContact CB-CD2 4.5Å; W130-F170 HydrophobicContact CB-CG 4.01Å; W130-F170 HydrophobicContact CD2-CD1 4.45Å; W130-F170 AromaticContact CE3-CD1 3.68Å; W130-F170 HydrophobicContact CE3-CD1 3.68Å; W130-F170 HydrophobicContact CE3-CD2 4.23Å; W130-F170 AromaticContact CE3-CE1 3.46Å; W130-F170 HydrophobicContact CE3-CE1 3.46Å; W130-F170 VanDerWaalsContact CE3-CE1 3.46Å; W130-F170 HydrophobicContact CE3-CE2 4.05Å; W130-F170 HydrophobicContact CE3-CG 4.05Å; W130-F170 AromaticContact CE3-CZ 3.64Å; W130-F170 HydrophobicContact CE3-CZ 3.64Å; W130-F170 HydrophobicContact CZ3-CD1 4.36Å; W130-F170 AromaticContact CZ3-CE1 3.7Å; W130-F170 HydrophobicContact CZ3-CE1 3.7Å; W130-F170 AromaticContact CZ3-CZ 3.77Å; W130-F170 HydrophobicContact CZ3-CZ 3.77Å; W130-P349 PolarHBondContact NE1-O 3.36Å; W130-S362 VanDerWaalsContact CZ2-OG 3.3Å; W130-S362 WeakPolarHBondContact CZ2-OG 3.16Å |
| 131 | H | 90.3 | Very high | 90.9 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -77.7 | -36.3 | 175.7 | -172.4 | -51.4 | 0 | 0 | 0 | 112 | R127 L128 | R127-H131 HydrophobicContact CG-CB 3.89Å; R127-H131 VanDerWaalsContact NE-CG 3.25Å; R127-H131 PolarHBondContact NE-ND1 2.75Å; R127-H131 PolarHBondContact NH2-CE1 2.78Å; R127-H131 PolarHBondContact NH2-ND1 3.11Å; L128-H131 HydrophobicContact CB-CB 4.45Å; L128-H131 WeakPolarHBondContact O-CB 3.35Å; L128-H131 PolarHBondContact O-N 2.89Å |
| 132 | D | 87.8 | Confident | 90.5 | Very high | 46 Ų | 46 | 64.4 Ų | 64.4 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | trans | -138.1 | 164.4 | -170.5 | 62.5 | -64.2 | 0 | 0 | 0 | 111.9 | R127 H135 | R127-D132 IonicContact NE-OD1 3.91Å; D132-H135 PolarHBondContact O-CD2 3.36Å; D132-H135 IonicContact OD1-NE2 3.81Å; D132-H135 PolarHBondContact OD1-NE2 3.3Å; D132-H135 IonicContact OD2-NE2 3.41Å | ||
| 133 | C | 86.6 | Confident | 89.8 | Confident | 40 Ų | 40 | 65 Ų | 65 | 27% | 0.27 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -94.6 | 20.5 | -175 | -68.4 | 0 | 0 | 0 | 0 | 113.6 | N138 C142 | C133-N138 WeakPolarHBondContact CA-OD1 3.04Å; C133-N138 WeakPolarHBondContact O-CB 3.23Å; C133-N138 PolarHBondContact O-OD1 2.81Å; C133-C142 HydrophobicContact CB-CB 3.54Å; C133-C142 WeakPolarHBondContact CB-SG 3.16Å; C133-C142 WeakPolarHBondContact SG-CB 3.2Å; C133-C142 PolarHBondContact SG-O 3.46Å; C133-C142 CovalentContact SG-SG 2.03Å; C133-C142 PolarHBondContact SG-SG 3.29Å |
| 134 | G | 87.1 | Confident | 88.6 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 66% | 0.66 | 35% | 0.345 | S | S | * | . | trans | -92.5 | 14.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 135 | H | 91.1 | Very high | 87.2 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -104.3 | 160.2 | -171.8 | -57.4 | -83.6 | 0 | 0 | 0 | 112.4 | P129 D132 W137 N138 | P129-H135 PolarHBondContact O-CD2 3.4Å; P129-H135 VanDerWaalsContact O-CD2 3.29Å; P129-H135 PolarHBondContact O-NE2 3.31Å; D132-H135 PolarHBondContact O-CD2 3.36Å; D132-H135 IonicContact OD1-NE2 3.81Å; D132-H135 PolarHBondContact OD1-NE2 3.3Å; D132-H135 IonicContact OD2-NE2 3.41Å; H135-W137 HydrophobicContact CB-CD2 3.53Å; H135-W137 HydrophobicContact CB-CE3 3.72Å; H135-W137 HydrophobicContact CB-CG 4.28Å; H135-W137 HydrophobicContact CB-CH2 3.54Å; H135-W137 HydrophobicContact CB-CZ2 3.29Å; H135-W137 HydrophobicContact CB-CZ3 3.75Å; H135-W137 AromaticContact CD2-CZ2 3.72Å; H135-W137 AromaticContact CG-CE2 3.73Å; H135-W137 AromaticContact CG-CH2 3.51Å; H135-W137 AromaticContact CG-CZ2 3.23Å; H135-W137 AromaticContact ND1-CH2 3.48Å; H135-W137 WeakPolarHBondContact ND1-CH2 3.2Å; H135-W137 AromaticContact ND1-CZ2 3.66Å; H135-W137 PolarHBondContact O-N 2.79Å; H135-N138 WeakPolarHBondContact CB-OD1 3.49Å; H135-N138 PolarHBondContact N-OD1 2.9Å; H135-N138 WeakPolarHBondContact O-CB 3.5Å; H135-N138 PolarHBondContact O-N 3.31Å |
| 136 | Y | 93.5 | Very high | 85.4 | Confident | 180 Ų | 180 | 66.2 Ų | 66.2 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -16 | -175.6 | 69.1 | -100.6 | 0 | 0 | 0 | 114.9 | R174 | Y136-R174 WeakPolarHBondContact OH-CD 3.44Å; Y136-R174 PolarHBondContact OH-NE 3.49Å |
| 137 | W | 92.5 | Very high | 83.7 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 13% | 0.129 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -6.8 | 177.6 | 57 | 80.7 | 0 | 0 | 0 | 113 | P129 H135 F170 N173 R174 | P129-W137 HydrophobicContact CB-CH2 4.29Å; P129-W137 HydrophobicContact CB-CZ2 4.03Å; H135-W137 HydrophobicContact CB-CD2 3.53Å; H135-W137 HydrophobicContact CB-CE3 3.72Å; H135-W137 HydrophobicContact CB-CG 4.28Å; H135-W137 HydrophobicContact CB-CH2 3.54Å; H135-W137 HydrophobicContact CB-CZ2 3.29Å; H135-W137 HydrophobicContact CB-CZ3 3.75Å; H135-W137 AromaticContact CD2-CZ2 3.72Å; H135-W137 AromaticContact CG-CE2 3.73Å; H135-W137 AromaticContact CG-CH2 3.51Å; H135-W137 AromaticContact CG-CZ2 3.23Å; H135-W137 AromaticContact ND1-CH2 3.48Å; H135-W137 WeakPolarHBondContact ND1-CH2 3.2Å; H135-W137 AromaticContact ND1-CZ2 3.66Å; H135-W137 PolarHBondContact O-N 2.79Å; W137-F170 AromaticContact CZ2-CD2 3.9Å; W137-F170 HydrophobicContact CZ2-CD2 3.9Å; W137-F170 HydrophobicContact CZ2-CE2 4.24Å; W137-N173 HydrophobicContact CB-CB 4.21Å; W137-N173 WeakPolarHBondContact O-CB 3.31Å; W137-N173 PolarHBondContact O-ND2 2.7Å; W137-N173 VanDerWaalsContact O-ND2 3.08Å; W137-R174 HydrophobicContact CB-CB 4.01Å; W137-R174 HydrophobicContact CD2-CB 3.71Å; W137-R174 HydrophobicContact CD2-CG 3.83Å; W137-R174 HydrophobicContact CE3-CB 4.3Å; W137-R174 VanDerWaalsContact CE3-CD 3.45Å; W137-R174 HydrophobicContact CE3-CG 3.97Å; W137-R174 HydrophobicContact CG-CB 3.59Å; W137-R174 HydrophobicContact CG-CG 4.25Å; W137-R174 HydrophobicContact CH2-CG 4.47Å; W137-R174 HydrophobicContact CZ2-CG 4.39Å; W137-R174 HydrophobicContact CZ3-CG 4.27Å |
| 138 | N | 91.7 | Very high | 81.9 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | trans | -81.7 | 136.4 | 177.3 | -64.8 | 124.3 | 0 | 0 | 0 | 110.4 | C133 H135 C142 Q169 | C133-N138 WeakPolarHBondContact CA-OD1 3.04Å; C133-N138 WeakPolarHBondContact O-CB 3.23Å; C133-N138 PolarHBondContact O-OD1 2.81Å; H135-N138 WeakPolarHBondContact CB-OD1 3.49Å; H135-N138 PolarHBondContact N-OD1 2.9Å; H135-N138 WeakPolarHBondContact O-CB 3.5Å; H135-N138 PolarHBondContact O-N 3.31Å; N138-C142 HydrophobicContact CB-CB 4.3Å; N138-C142 PolarHBondContact ND2-SG 3.04Å; N138-C142 VanDerWaalsContact ND2-SG 3.44Å; N138-Q169 PolarHBondContact ND2-OE1 3.5Å | ||
| 139 | N | 88.9 | Confident | 80 | Confident | 67 Ų | 67 | 64.4 Ų | 64.4 | 36% | 0.358 | 35% | 0.351 | S | S | . | . | trans | -104.5 | 177.4 | 171.5 | 74.8 | -4.7 | 0 | 0 | 0 | 110.2 | D141 C142 Q169 | N139-D141 PolarHBondContact ND2-OD2 3.46Å; N139-D141 PolarHBondContact O-N 2.91Å; N139-D141 VanDerWaalsContact O-N 3.09Å; N139-D141 WeakPolarHBondContact OD1-CB 3.45Å; N139-D141 PolarHBondContact OD1-N 3.13Å; N139-D141 VanDerWaalsContact OD1-N 3.12Å; N139-C142 WeakPolarHBondContact O-CB 3.44Å; N139-C142 PolarHBondContact O-N 3.3Å; N139-C142 VanDerWaalsContact O-N 3.1Å; N139-Q169 VanDerWaalsContact N-OE1 3.17Å; N139-Q169 PolarHBondContact OD1-NE2 3.26Å | ||
| 140 | D | 85.1 | Confident | 77.9 | Confident | 168 Ų | 168 | 66.6 Ų | 66.6 | 90% | 0.898 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -16.3 | -177.8 | -61.7 | -30.8 | 0 | 0 | 0 | 113.8 | C142 | D140-C142 PolarHBondContact O-N 2.93Š|
| 141 | D | 84.7 | Confident | 75.7 | Confident | 61 Ų | 61 | 72.5 Ų | 72.5 | 33% | 0.326 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 0 | 177.2 | -53.2 | -52 | 0 | 0 | 0 | 113.2 | N139 L143 Q164 | N139-D141 PolarHBondContact ND2-OD2 3.46Å; N139-D141 PolarHBondContact O-N 2.91Å; N139-D141 VanDerWaalsContact O-N 3.09Å; N139-D141 WeakPolarHBondContact OD1-CB 3.45Å; N139-D141 PolarHBondContact OD1-N 3.13Å; N139-D141 VanDerWaalsContact OD1-N 3.12Å; D141-L143 PolarHBondContact O-N 3.48Å; D141-Q164 PolarHBondContact O-N 3.29Å |
| 142 | C | 86.1 | Confident | 73.7 | Confident | 19 Ų | 19 | 77.2 Ų | 77.2 | 13% | 0.128 | 44% | 0.435 | C | S | . | . | B | Isolated β-bridge | trans | -79.7 | 114.3 | -177.9 | -162.6 | 0 | 0 | 0 | 0 | 111.4 | C133 N138 N139 D140 Q169 | C133-C142 HydrophobicContact CB-CB 3.54Å; C133-C142 WeakPolarHBondContact CB-SG 3.16Å; C133-C142 WeakPolarHBondContact SG-CB 3.2Å; C133-C142 PolarHBondContact SG-O 3.46Å; C133-C142 CovalentContact SG-SG 2.03Å; C133-C142 PolarHBondContact SG-SG 3.29Å; N138-C142 HydrophobicContact CB-CB 4.3Å; N138-C142 PolarHBondContact ND2-SG 3.04Å; N138-C142 VanDerWaalsContact ND2-SG 3.44Å; N139-C142 WeakPolarHBondContact O-CB 3.44Å; N139-C142 PolarHBondContact O-N 3.3Å; N139-C142 VanDerWaalsContact O-N 3.1Å; D140-C142 PolarHBondContact O-N 2.93Å; C142-Q169 VanDerWaalsContact CB-CD 3.49Å; C142-Q169 VanDerWaalsContact CB-NE2 3.29Å; C142-Q169 VanDerWaalsContact CB-OE1 3.28Å; C142-Q169 VanDerWaalsContact N-NE2 3.15Å |
| 143 | L | 81 | Confident | 72 | Confident | 25 Ų | 25 | 80 Ų | 80 | 13% | 0.131 | 44% | 0.442 | C | S | . | . | trans | -108 | 111.3 | 174.5 | -106.5 | 130.6 | 0 | 0 | 0 | 111.6 | D141 V147 A148 L158 V163 Q164 P166 | D141-L143 PolarHBondContact O-N 3.48Å; L143-V147 HydrophobicContact CD2-CB 3.79Å; L143-V147 HydrophobicContact CD2-CG1 3.7Å; L143-V147 HydrophobicContact CG-CG1 4.45Å; L143-A148 HydrophobicContact CD2-CB 4.36Å; L143-L158 HydrophobicContact CD1-CD1 4.44Å; L143-L158 HydrophobicContact CD2-CD1 4.43Å; L143-V163 HydrophobicContact CB-CG1 3.54Å; L143-V163 HydrophobicContact CD1-CB 4.12Å; L143-V163 HydrophobicContact CD1-CG1 3.3Å; L143-V163 HydrophobicContact CD1-CG2 3.61Å; L143-V163 HydrophobicContact CG-CG1 3.98Å; L143-Q164 PolarHBondContact N-O 3.31Å; L143-P166 WeakPolarHBondContact O-CD 3.15Å | ||
| 144 | G | 71.7 | Confident | 70.1 | Confident | 15 Ų | 15 | 83.5 Ų | 83.5 | 16% | 0.155 | 46% | 0.458 | C | S | . | . | trans | -79 | 158.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H146 V147 A148 | G144-H146 VanDerWaalsContact C-N 3.26Å; G144-H146 PolarHBondContact O-N 2.97Å; G144-V147 PolarHBondContact O-N 3.34Å; G144-A148 PolarHBondContact O-N 3.33Å | ||
| 145 | E | 63.3 | Low | 68.5 | Low | 80 Ų | 80 | 88.9 Ų | 88.9 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.8 | -31.3 | -175.9 | -167.8 | 172.2 | 172.1 | 0 | 0 | 114.3 | V147 R353 L354 | E145-V147 VanDerWaalsContact C-N 3.26Å; E145-V147 PolarHBondContact O-N 3.08Å; E145-R353 IonicContact OE2-CZ 2.88Å; E145-R353 IonicContact OE2-NH1 3.74Å; E145-R353 PolarHBondContact OE2-NH1 3.14Å; E145-R353 IonicContact OE2-NH2 3.23Å; E145-L354 WeakPolarHBondContact OE2-CD2 3.23Å |
| 146 | H | 53.2 | Low | 66.4 | Low | 156 Ų | 156 | 89.9 Ų | 89.9 | 72% | 0.722 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.3 | -24.7 | 176.6 | -71.2 | -65.3 | 0 | 0 | 0 | 113.5 | G144 S150 | G144-H146 VanDerWaalsContact C-N 3.26Å; G144-H146 PolarHBondContact O-N 2.97Å; H146-S150 PolarHBondContact O-OG 3.09Å |
| 147 | V | 53.3 | Low | 64.3 | Low | 59 Ų | 59 | 85.6 Ų | 85.6 | 36% | 0.358 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -87.2 | -35.4 | -179.1 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | L143 G144 E145 N149 S150 Y153 | L143-V147 HydrophobicContact CD2-CB 3.79Å; L143-V147 HydrophobicContact CD2-CG1 3.7Å; L143-V147 HydrophobicContact CG-CG1 4.45Å; G144-V147 PolarHBondContact O-N 3.34Å; E145-V147 VanDerWaalsContact C-N 3.26Å; E145-V147 PolarHBondContact O-N 3.08Å; V147-N149 VanDerWaalsContact C-N 3.29Å; V147-N149 PolarHBondContact O-N 3.08Å; V147-S150 WeakPolarHBondContact O-CB 3.27Å; V147-S150 PolarHBondContact O-N 3.45Å; V147-S150 VanDerWaalsContact O-N 3.13Å; V147-Y153 HydrophobicContact CG1-CD2 3.63Å; V147-Y153 HydrophobicContact CG1-CE2 3.6Å |
| 148 | A | 53.3 | Low | 62.5 | Low | 58 Ų | 58 | 87.5 Ų | 87.5 | 48% | 0.479 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.9 | -29.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L143 G144 | L143-A148 HydrophobicContact CD2-CB 4.36Å; G144-A148 PolarHBondContact O-N 3.33Å |
| 149 | N | 52.3 | Low | 60.6 | Low | 126 Ų | 126 | 94.4 Ų | 94.4 | 67% | 0.674 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -8.8 | 176.2 | -73.3 | -28.4 | 0 | 0 | 0 | 113.7 | V147 S151 | V147-N149 VanDerWaalsContact C-N 3.29Å; V147-N149 PolarHBondContact O-N 3.08Å; N149-S151 PolarHBondContact O-N 3.25Å |
| 150 | S | 48.7 | Very low | 58.9 | Low | 60 Ų | 60 | 95.3 Ų | 95.3 | 42% | 0.42 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -79.8 | 119.9 | 174.9 | -65.6 | 0 | 0 | 0 | 0 | 108.5 | H146 V147 L152 Y153 | H146-S150 PolarHBondContact O-OG 3.09Å; V147-S150 WeakPolarHBondContact O-CB 3.27Å; V147-S150 PolarHBondContact O-N 3.45Å; V147-S150 VanDerWaalsContact O-N 3.13Å; S150-L152 PolarHBondContact O-N 3.4Å; S150-Y153 PolarHBondContact O-N 2.61Å |
| 151 | S | 48.1 | Very low | 57.5 | Low | 124 Ų | 124 | 91 Ų | 91 | 87% | 0.867 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 5.1 | 179.7 | 43.5 | 0 | 0 | 0 | 0 | 115.6 | N149 | N149-S151 PolarHBondContact O-N 3.25Š|
| 152 | L | 48.9 | Very low | 56.7 | Low | 156 Ų | 156 | 95 Ų | 95 | 82% | 0.817 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -19.9 | 178.6 | -101.8 | 116 | 0 | 0 | 0 | 114.3 | S150 N154 | S150-L152 PolarHBondContact O-N 3.4Å; L152-N154 PolarHBondContact O-N 2.94Å |
| 153 | Y | 51.9 | Low | 56.2 | Low | 105 Ų | 105 | 96.4 Ų | 96.4 | 41% | 0.412 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -89.3 | 108.3 | 174.5 | -97.2 | -88 | 0 | 0 | 0 | 110.3 | V147 S150 K155 Q157 L158 | V147-Y153 HydrophobicContact CG1-CD2 3.63Å; V147-Y153 HydrophobicContact CG1-CE2 3.6Å; S150-Y153 PolarHBondContact O-N 2.61Å; Y153-K155 PolarHBondContact O-N 2.74Å; Y153-Q157 HydrophobicContact CD1-CB 4.47Å; Y153-L158 HydrophobicContact CD1-CD1 4.4Å; Y153-L158 HydrophobicContact CG-CD1 4.43Å |
| 154 | N | 46.2 | Very low | 56.3 | Low | 112 Ų | 112 | 98.6 Ų | 98.6 | 60% | 0.599 | 53% | 0.534 | S | S | * | . | trans | -56.2 | 125.6 | 170.6 | -90.8 | -23.9 | 0 | 0 | 0 | 108.8 | L152 S156 Q157 | L152-N154 PolarHBondContact O-N 2.94Å; N154-S156 PolarHBondContact O-N 3.12Å; N154-Q157 PolarHBondContact O-N 3.19Å | ||
| 155 | K | 52.7 | Low | 57.1 | Low | 178 Ų | 178 | 100.6 Ų | 100.6 | 77% | 0.774 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -50.2 | -28.9 | -178 | -146.6 | 176.4 | -176.4 | -177 | 0 | 113.2 | Y153 L158 | Y153-K155 PolarHBondContact O-N 2.74Å; K155-L158 PolarHBondContact O-N 3.21Å |
| 156 | S | 48.3 | Very low | 58.4 | Low | 79 Ų | 79 | 96.9 Ų | 96.9 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.8 | -30.5 | 174.6 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | N154 S160 | N154-S156 PolarHBondContact O-N 3.12Å; S156-S160 WeakPolarHBondContact O-CB 3.22Å; S156-S160 PolarHBondContact O-N 3.08Å |
| 157 | Q | 47.8 | Very low | 60.3 | Low | 91 Ų | 91 | 89.5 Ų | 89.5 | 43% | 0.425 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -78.2 | -24.8 | 175.4 | -68.4 | -164.1 | -51.9 | 0 | 0 | 112.5 | Y153 N154 E159 N161 | Y153-Q157 HydrophobicContact CD1-CB 4.47Å; N154-Q157 PolarHBondContact O-N 3.19Å; Q157-E159 VanDerWaalsContact C-N 3.26Å; Q157-E159 PolarHBondContact O-N 2.87Å; Q157-N161 PolarHBondContact O-N 2.97Å |
| 158 | L | 55.5 | Low | 62.1 | Low | 74 Ų | 74 | 87.1 Ų | 87.1 | 39% | 0.387 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.6 | -25.5 | 175.3 | -127.9 | 102 | 0 | 0 | 0 | 112.6 | L143 Y153 K155 | L143-L158 HydrophobicContact CD1-CD1 4.44Å; L143-L158 HydrophobicContact CD2-CD1 4.43Å; Y153-L158 HydrophobicContact CD1-CD1 4.4Å; Y153-L158 HydrophobicContact CG-CD1 4.43Å; K155-L158 PolarHBondContact O-N 3.21Å |
| 159 | E | 52.4 | Low | 63.9 | Low | 170 Ų | 170 | 84.4 Ų | 84.4 | 79% | 0.794 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -97.2 | -23.6 | 177.8 | -71.1 | 179.6 | 173.8 | 0 | 0 | 112.9 | Q157 | Q157-E159 VanDerWaalsContact C-N 3.26Å; Q157-E159 PolarHBondContact O-N 2.87Å |
| 160 | S | 51.6 | Low | 66 | Low | 85 Ų | 85 | 78.5 Ų | 78.5 | 59% | 0.594 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -87.5 | -27.4 | -178.8 | 81.4 | 0 | 0 | 0 | 0 | 114.4 | S156 | S156-S160 WeakPolarHBondContact O-CB 3.22Å; S156-S160 PolarHBondContact O-N 3.08Å |
| 161 | N | 55.6 | Low | 68.1 | Low | 79 Ų | 79 | 75.7 Ų | 75.7 | 42% | 0.422 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -96.7 | 138 | 176.9 | -65.9 | -7.1 | 0 | 0 | 0 | 107.5 | Q157 V163 | Q157-N161 PolarHBondContact O-N 2.97Å; N161-V163 HydrophobicContact CB-CG2 4.08Å; N161-V163 WeakPolarHBondContact O-CG2 3.31Å; N161-V163 PolarHBondContact O-N 3.1Å |
| 162 | N | 68.3 | Low | 70.3 | Confident | 144 Ų | 144 | 72.3 Ų | 72.3 | 77% | 0.77 | 38% | 0.375 | S | S | * | . | trans | -68.8 | 61.2 | 177.3 | -81.8 | -32.7 | 0 | 0 | 0 | 110.9 | ||||
| 163 | V | 76.7 | Confident | 72.4 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 30% | 0.297 | 35% | 0.351 | S | S | . | . | trans | -63.9 | 133.5 | -176.2 | 171.1 | 0 | 0 | 0 | 0 | 109.7 | L143 N161 | L143-V163 HydrophobicContact CB-CG1 3.54Å; L143-V163 HydrophobicContact CD1-CB 4.12Å; L143-V163 HydrophobicContact CD1-CG1 3.3Å; L143-V163 HydrophobicContact CD1-CG2 3.61Å; L143-V163 HydrophobicContact CG-CG1 3.98Å; N161-V163 HydrophobicContact CB-CG2 4.08Å; N161-V163 WeakPolarHBondContact O-CG2 3.31Å; N161-V163 PolarHBondContact O-N 3.1Å | ||
| 164 | Q | 83.2 | Confident | 74.4 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 33% | 0.327 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -121.8 | 151.2 | 179.2 | -64.1 | -173.3 | -2.3 | 0 | 0 | 111.7 | D141 L143 A168 Q169 | D141-Q164 PolarHBondContact O-N 3.29Å; L143-Q164 PolarHBondContact N-O 3.31Å; Q164-A168 HydrophobicContact CB-CB 4.29Å; Q164-Q169 HydrophobicContact CB-CG 3.95Å |
| 165 | T | 87.6 | Confident | 76.7 | Confident | 57 Ų | 57 | 58.9 Ų | 58.9 | 35% | 0.35 | 31% | 0.309 | S | S | . | . | trans | -74.8 | 155.5 | 173.5 | 64.5 | 0 | 0 | 0 | 0 | 110.6 | V167 A168 Q169 | T165-V167 PolarHBondContact O-N 3.08Å; T165-V167 VanDerWaalsContact O-N 3.16Å; T165-A168 PolarHBondContact O-N 3.25Å; T165-A168 VanDerWaalsContact O-N 3.07Å; T165-A168 WeakPolarHBondContact OG1-CB 3.44Å; T165-A168 PolarHBondContact OG1-N 3.2Å; T165-A168 VanDerWaalsContact OG1-N 3.15Å; T165-Q169 PolarHBondContact O-N 3.14Å; T165-Q169 VanDerWaalsContact O-N 3.08Å | ||
| 166 | P | 91.2 | Very high | 78.6 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.2 | -31.8 | 174.2 | 21.8 | -34.1 | 0 | 0 | 0 | 112.6 | L143 F170 | L143-P166 WeakPolarHBondContact O-CD 3.15Å; P166-F170 WeakPolarHBondContact O-CB 3.44Å; P166-F170 PolarHBondContact O-N 3.48Å |
| 167 | V | 92.5 | Very high | 80.6 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.4 | -45.6 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 112.7 | W130 T165 Q169 F170 W171 Q346 P349 E350 | W130-V167 HydrophobicContact CB-CB 4.41Å; W130-V167 HydrophobicContact CB-CG2 3.77Å; W130-V167 VanDerWaalsContact CD1-CG2 3.5Å; W130-V167 HydrophobicContact CG-CG2 3.88Å; T165-V167 PolarHBondContact O-N 3.08Å; T165-V167 VanDerWaalsContact O-N 3.16Å; V167-Q169 VanDerWaalsContact C-N 3.3Å; V167-Q169 PolarHBondContact O-N 2.72Å; V167-F170 PolarHBondContact O-N 3.44Å; V167-W171 PolarHBondContact O-N 2.87Å; V167-Q346 HydrophobicContact CG1-CB 4.41Å; V167-Q346 VanDerWaalsContact CG1-O 3.25Å; V167-Q346 WeakPolarHBondContact CG1-O 3.46Å; V167-P349 HydrophobicContact CG1-CB 3.77Å; V167-P349 HydrophobicContact CG2-CB 4.27Å; V167-E350 HydrophobicContact CG2-CB 4.21Å; V167-E350 WeakPolarHBondContact CG2-OE2 3.46Å |
| 168 | A | 90.2 | Very high | 82.5 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q164 T165 W171 F172 | Q164-A168 HydrophobicContact CB-CB 4.29Å; T165-A168 PolarHBondContact O-N 3.25Å; T165-A168 VanDerWaalsContact O-N 3.07Å; T165-A168 WeakPolarHBondContact OG1-CB 3.44Å; T165-A168 PolarHBondContact OG1-N 3.2Å; T165-A168 VanDerWaalsContact OG1-N 3.15Å; A168-W171 WeakPolarHBondContact O-CB 3.32Å; A168-W171 PolarHBondContact O-N 3.01Å; A168-F172 HydrophobicContact CB-CD2 4.47Å; A168-F172 WeakPolarHBondContact O-CD2 3.19Å; A168-F172 PolarHBondContact O-N 3.46Å |
| 169 | Q | 92.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69 | -36.6 | 176.5 | -65.8 | -164.3 | 4.2 | 0 | 0 | 113.1 | N138 N139 C142 Q164 T165 V167 W171 N173 R174 | N138-Q169 PolarHBondContact ND2-OE1 3.5Å; N139-Q169 VanDerWaalsContact N-OE1 3.17Å; N139-Q169 PolarHBondContact OD1-NE2 3.26Å; C142-Q169 VanDerWaalsContact CB-CD 3.49Å; C142-Q169 VanDerWaalsContact CB-NE2 3.29Å; C142-Q169 VanDerWaalsContact CB-OE1 3.28Å; C142-Q169 VanDerWaalsContact N-NE2 3.15Å; Q164-Q169 HydrophobicContact CB-CG 3.95Å; T165-Q169 PolarHBondContact O-N 3.14Å; T165-Q169 VanDerWaalsContact O-N 3.08Å; V167-Q169 VanDerWaalsContact C-N 3.3Å; V167-Q169 PolarHBondContact O-N 2.72Å; Q169-W171 VanDerWaalsContact C-N 3.29Å; Q169-W171 PolarHBondContact O-N 2.9Å; Q169-N173 WeakPolarHBondContact O-CA 3.23Å; Q169-N173 VanDerWaalsContact O-CB 3.23Å; Q169-N173 WeakPolarHBondContact O-CB 3.26Å; Q169-N173 PolarHBondContact O-N 3.49Å; Q169-R174 PolarHBondContact O-N 3.19Å |
| 170 | F | 95.1 | Very high | 85.6 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -59.8 | -42.8 | 171.8 | -178.4 | -93.9 | 0 | 0 | 0 | 111.3 | F118 Y119 A122 P129 W130 W137 P166 V167 R174 L175 | F118-F170 HydrophobicContact CD1-CZ 4.34Å; F118-F170 HydrophobicContact CE1-CE1 4.25Å; F118-F170 HydrophobicContact CE1-CE2 4.5Å; F118-F170 AromaticContact CE1-CZ 3.71Å; F118-F170 HydrophobicContact CE1-CZ 3.71Å; Y119-F170 HydrophobicContact CD1-CE1 4.09Å; Y119-F170 AromaticContact CE1-CD1 3.89Å; Y119-F170 HydrophobicContact CE1-CD1 3.89Å; Y119-F170 AromaticContact CE1-CE1 3.6Å; Y119-F170 HydrophobicContact CE1-CE1 3.6Å; Y119-F170 HydrophobicContact CE2-CE1 4.38Å; Y119-F170 AromaticContact CZ-CD1 3.92Å; Y119-F170 AromaticContact CZ-CE1 3.76Å; A122-F170 HydrophobicContact CB-CZ 3.99Å; P129-F170 HydrophobicContact CB-CD2 4.08Å; P129-F170 HydrophobicContact CB-CE2 3.67Å; P129-F170 HydrophobicContact CB-CZ 4.49Å; P129-F170 HydrophobicContact CG-CE2 4.42Å; W130-F170 HydrophobicContact CB-CB 3.83Å; W130-F170 HydrophobicContact CB-CD1 4.44Å; W130-F170 HydrophobicContact CB-CD2 4.5Å; W130-F170 HydrophobicContact CB-CG 4.01Å; W130-F170 HydrophobicContact CD2-CD1 4.45Å; W130-F170 AromaticContact CE3-CD1 3.68Å; W130-F170 HydrophobicContact CE3-CD1 3.68Å; W130-F170 HydrophobicContact CE3-CD2 4.23Å; W130-F170 AromaticContact CE3-CE1 3.46Å; W130-F170 HydrophobicContact CE3-CE1 3.46Å; W130-F170 VanDerWaalsContact CE3-CE1 3.46Å; W130-F170 HydrophobicContact CE3-CE2 4.05Å; W130-F170 HydrophobicContact CE3-CG 4.05Å; W130-F170 AromaticContact CE3-CZ 3.64Å; W130-F170 HydrophobicContact CE3-CZ 3.64Å; W130-F170 HydrophobicContact CZ3-CD1 4.36Å; W130-F170 AromaticContact CZ3-CE1 3.7Å; W130-F170 HydrophobicContact CZ3-CE1 3.7Å; W130-F170 AromaticContact CZ3-CZ 3.77Å; W130-F170 HydrophobicContact CZ3-CZ 3.77Å; W137-F170 AromaticContact CZ2-CD2 3.9Å; W137-F170 HydrophobicContact CZ2-CD2 3.9Å; W137-F170 HydrophobicContact CZ2-CE2 4.24Å; P166-F170 WeakPolarHBondContact O-CB 3.44Å; P166-F170 PolarHBondContact O-N 3.48Å; V167-F170 PolarHBondContact O-N 3.44Å; F170-R174 HydrophobicContact CD2-CB 4.01Å; F170-R174 HydrophobicContact CD2-CG 3.93Å; F170-R174 HydrophobicContact CE2-CB 4.36Å; F170-R174 HydrophobicContact CE2-CG 3.79Å; F170-R174 HydrophobicContact CG-CB 4.48Å; F170-R174 VanDerWaalsContact O-CB 3.29Å; F170-R174 WeakPolarHBondContact O-CB 3.35Å; F170-R174 PolarHBondContact O-N 2.95Å; F170-L175 PolarHBondContact O-N 3.28Å |
| 171 | W | 94.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -64.2 | -56.6 | 176.7 | 175.7 | -106.9 | 0 | 0 | 0 | 112.5 | W115 Y119 V167 A168 Q169 L175 L176 V341 F345 Q346 | W115-W171 AromaticContact CD2-CH2 3.91Å; W115-W171 HydrophobicContact CD2-CH2 3.91Å; W115-W171 HydrophobicContact CD2-CZ3 4.35Å; W115-W171 AromaticContact CE3-CH2 3.58Å; W115-W171 HydrophobicContact CE3-CH2 3.58Å; W115-W171 HydrophobicContact CE3-CZ3 4.34Å; W115-W171 HydrophobicContact CG-CH2 4.5Å; W115-W171 HydrophobicContact CG-CZ3 4.49Å; W115-W171 HydrophobicContact CH2-CH2 4.28Å; W115-W171 AromaticContact CZ3-CH2 3.78Å; W115-W171 HydrophobicContact CZ3-CH2 3.78Å; W115-W171 HydrophobicContact CZ3-CZ2 4.31Å; Y119-W171 AromaticContact CE2-CE3 3.98Å; Y119-W171 HydrophobicContact CE2-CE3 3.98Å; Y119-W171 HydrophobicContact CE2-CZ3 4.04Å; V167-W171 PolarHBondContact O-N 2.87Å; A168-W171 WeakPolarHBondContact O-CB 3.32Å; A168-W171 PolarHBondContact O-N 3.01Å; Q169-W171 VanDerWaalsContact C-N 3.29Å; Q169-W171 PolarHBondContact O-N 2.9Å; W171-L175 HydrophobicContact CE3-CD1 4.27Å; W171-L175 HydrophobicContact CE3-CD2 4.24Å; W171-L175 HydrophobicContact CZ3-CD1 4.28Å; W171-L175 HydrophobicContact CZ3-CD2 4.04Å; W171-L176 HydrophobicContact CD2-CD1 4.03Å; W171-L176 HydrophobicContact CD2-CG 4.48Å; W171-L176 VanDerWaalsContact CE2-CD1 3.46Å; W171-L176 HydrophobicContact CG-CD1 4.44Å; W171-L176 HydrophobicContact CH2-CD1 4.39Å; W171-L176 HydrophobicContact CZ2-CD1 3.7Å; W171-L176 HydrophobicContact CZ2-CG 4.45Å; W171-L176 PolarHBondContact O-N 3.5Å; W171-L176 VanDerWaalsContact O-N 3.09Å; W171-V341 HydrophobicContact CZ2-CG2 4.31Å; W171-F345 HydrophobicContact CD2-CB 4.03Å; W171-F345 HydrophobicContact CE3-CB 3.45Å; W171-F345 VanDerWaalsContact CE3-CB 3.45Å; W171-F345 HydrophobicContact CE3-CG 4.06Å; W171-F345 HydrophobicContact CH2-CB 3.58Å; W171-F345 HydrophobicContact CH2-CD1 4.38Å; W171-F345 AromaticContact CH2-CD2 3.55Å; W171-F345 HydrophobicContact CH2-CD2 3.55Å; W171-F345 HydrophobicContact CH2-CE2 4.32Å; W171-F345 AromaticContact CH2-CG 3.58Å; W171-F345 HydrophobicContact CH2-CG 3.58Å; W171-F345 HydrophobicContact CZ2-CB 4.18Å; W171-F345 HydrophobicContact CZ2-CD2 4.46Å; W171-F345 HydrophobicContact CZ3-CB 3.2Å; W171-F345 AromaticContact CZ3-CD1 3.76Å; W171-F345 HydrophobicContact CZ3-CD1 3.76Å; W171-F345 AromaticContact CZ3-CD2 3.79Å; W171-F345 HydrophobicContact CZ3-CD2 3.79Å; W171-F345 AromaticContact CZ3-CG 3.31Å; W171-F345 HydrophobicContact CZ3-CG 3.31Å; W171-Q346 HydrophobicContact CB-CG 4.23Å; W171-Q346 HydrophobicContact CG-CG 4.02Å |
| 172 | F | 93.2 | Very high | 88 | Confident | 52 Ų | 52 | 37.9 Ų | 37.9 | 23% | 0.228 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -77.1 | -42.3 | -173.3 | -68.7 | -62.7 | 0 | 0 | 0 | 113.4 | A168 Q177 S178 | A168-F172 HydrophobicContact CB-CD2 4.47Å; A168-F172 WeakPolarHBondContact O-CD2 3.19Å; A168-F172 PolarHBondContact O-N 3.46Å; F172-Q177 CarbonylContact O-C 3.54Å; F172-Q177 WeakPolarHBondContact O-CA 3.47Å; F172-Q177 PolarHBondContact O-N 2.92Å; F172-S178 PolarHBondContact O-N 3.46Å |
| 173 | N | 93.1 | Very high | 88.6 | Confident | 60 Ų | 60 | 40.1 Ų | 40.1 | 32% | 0.321 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -95.2 | -36.1 | -172.1 | -60.8 | -8.6 | 0 | 0 | 0 | 113 | W137 Q169 Q177 | W137-N173 HydrophobicContact CB-CB 4.21Å; W137-N173 WeakPolarHBondContact O-CB 3.31Å; W137-N173 PolarHBondContact O-ND2 2.7Å; W137-N173 VanDerWaalsContact O-ND2 3.08Å; Q169-N173 WeakPolarHBondContact O-CA 3.23Å; Q169-N173 VanDerWaalsContact O-CB 3.23Å; Q169-N173 WeakPolarHBondContact O-CB 3.26Å; Q169-N173 PolarHBondContact O-N 3.49Å; N173-Q177 WeakPolarHBondContact O-CG 3.47Å |
| 174 | R | 94.6 | Very high | 89 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -90.5 | -50.4 | -176.3 | 176.3 | 57.7 | -172 | 99.6 | -8.9 | 113.2 | Y136 W137 Q169 F170 E191 | Y136-R174 WeakPolarHBondContact OH-CD 3.44Å; Y136-R174 PolarHBondContact OH-NE 3.49Å; W137-R174 HydrophobicContact CB-CB 4.01Å; W137-R174 HydrophobicContact CD2-CB 3.71Å; W137-R174 HydrophobicContact CD2-CG 3.83Å; W137-R174 HydrophobicContact CE3-CB 4.3Å; W137-R174 VanDerWaalsContact CE3-CD 3.45Å; W137-R174 HydrophobicContact CE3-CG 3.97Å; W137-R174 HydrophobicContact CG-CB 3.59Å; W137-R174 HydrophobicContact CG-CG 4.25Å; W137-R174 HydrophobicContact CH2-CG 4.47Å; W137-R174 HydrophobicContact CZ2-CG 4.39Å; W137-R174 HydrophobicContact CZ3-CG 4.27Å; Q169-R174 PolarHBondContact O-N 3.19Å; F170-R174 HydrophobicContact CD2-CB 4.01Å; F170-R174 HydrophobicContact CD2-CG 3.93Å; F170-R174 HydrophobicContact CE2-CB 4.36Å; F170-R174 HydrophobicContact CE2-CG 3.79Å; F170-R174 HydrophobicContact CG-CB 4.48Å; F170-R174 VanDerWaalsContact O-CB 3.29Å; F170-R174 WeakPolarHBondContact O-CB 3.35Å; F170-R174 PolarHBondContact O-N 2.95Å; R174-E191 IonicContact CZ-OE1 3.6Å; R174-E191 IonicContact CZ-OE2 3.96Å; R174-E191 IonicContact NH1-OE1 3.81Å; R174-E191 IonicContact NH1-OE2 3.72Å; R174-E191 PolarHBondContact NH1-OE2 2.8Å; R174-E191 IonicContact NH2-OE1 2.82Å; R174-E191 PolarHBondContact NH2-OE1 2.93Å; R174-E191 IonicContact NH2-OE2 3Å; R174-E191 PolarHBondContact NH2-OE2 3.43Å; R174-E191 VanDerWaalsContact NH2-OE2 3.16Å |
| 175 | L | 94 | Very high | 89 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -82.9 | -56.2 | -173.3 | -174.3 | 156.4 | 0 | 0 | 0 | 111.8 | W115 F118 Y119 F170 W171 L192 | W115-L175 HydrophobicContact CG-CD2 4.14Å; F118-L175 HydrophobicContact CB-CD1 4.32Å; F118-L175 HydrophobicContact CD1-CB 4.45Å; F118-L175 HydrophobicContact CD1-CD1 3.53Å; F118-L175 HydrophobicContact CD1-CG 3.94Å; F118-L175 HydrophobicContact CE1-CB 4.19Å; F118-L175 HydrophobicContact CE1-CD1 4.08Å; F118-L175 HydrophobicContact CE1-CG 4.16Å; F118-L175 HydrophobicContact CG-CD1 4.1Å; F118-L175 HydrophobicContact CG-CG 4.31Å; Y119-L175 HydrophobicContact CD2-CD1 3.64Å; Y119-L175 HydrophobicContact CE2-CD1 3.23Å; F170-L175 PolarHBondContact O-N 3.28Å; W171-L175 HydrophobicContact CE3-CD1 4.27Å; W171-L175 HydrophobicContact CE3-CD2 4.24Å; W171-L175 HydrophobicContact CZ3-CD1 4.28Å; W171-L175 HydrophobicContact CZ3-CD2 4.04Å; L175-L192 HydrophobicContact CD2-CD1 4.38Å; L175-L192 HydrophobicContact CD2-CD2 4.42Å |
| 176 | L | 92.6 | Very high | 89 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -84.4 | -35.3 | -178 | -63.5 | 176.3 | 0 | 0 | 0 | 112.5 | W115 W171 S178 Q189 Q413 | W115-L176 HydrophobicContact CZ2-CD2 3.73Å; W171-L176 HydrophobicContact CD2-CD1 4.03Å; W171-L176 HydrophobicContact CD2-CG 4.48Å; W171-L176 VanDerWaalsContact CE2-CD1 3.46Å; W171-L176 HydrophobicContact CG-CD1 4.44Å; W171-L176 HydrophobicContact CH2-CD1 4.39Å; W171-L176 HydrophobicContact CZ2-CD1 3.7Å; W171-L176 HydrophobicContact CZ2-CG 4.45Å; W171-L176 PolarHBondContact O-N 3.5Å; W171-L176 VanDerWaalsContact O-N 3.09Å; L176-S178 VanDerWaalsContact C-N 3.32Å; L176-Q189 PolarHBondContact O-NE2 3.01Å; L176-Q413 HydrophobicContact CD1-CB 3.97Å; L176-Q413 HydrophobicContact CD1-CG 4.13Å |
| 177 | Q | 91.5 | Very high | 89.1 | Confident | 68 Ų | 68 | 44.8 Ų | 44.8 | 32% | 0.318 | 25% | 0.25 | S | C | . | . | trans | 46.6 | 56.3 | -161.3 | -34.7 | 174.5 | -12.3 | 0 | 0 | 110.8 | F172 N173 Q189 K410 | F172-Q177 CarbonylContact O-C 3.54Å; F172-Q177 WeakPolarHBondContact O-CA 3.47Å; F172-Q177 PolarHBondContact O-N 2.92Å; N173-Q177 WeakPolarHBondContact O-CG 3.47Å; Q177-Q189 VanDerWaalsContact CD-CD 3.44Å; Q177-K410 HydrophobicContact CB-CD 4.43Å; Q177-K410 HydrophobicContact CB-CG 4.4Å; Q177-K410 VanDerWaalsContact O-CB 3.25Å; Q177-K410 WeakPolarHBondContact O-CB 3.38Å; Q177-K410 WeakPolarHBondContact O-CD 3.49Å; Q177-K410 WeakPolarHBondContact O-CG 3.28Å; Q177-K410 VanDerWaalsContact OE1-CE 3.26Å | ||
| 178 | S | 86.8 | Confident | 89.1 | Confident | 35 Ų | 35 | 47 Ų | 47 | 25% | 0.245 | 26% | 0.261 | C | S | . | . | trans | -50.7 | 139.1 | -167.5 | -171.3 | 0 | 0 | 0 | 0 | 113.6 | F172 L176 K410 Q413 | F172-S178 PolarHBondContact O-N 3.46Å; L176-S178 VanDerWaalsContact C-N 3.32Å; S178-K410 WeakPolarHBondContact CA-O 3.29Å; S178-Q413 VanDerWaalsContact CB-NE2 3.34Å; S178-Q413 PolarHBondContact OG-NE2 3.26Å | ||
| 179 | S | 88.5 | Confident | 89.3 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | trans | -72.7 | 168.9 | 163.5 | 61.3 | 0 | 0 | 0 | 0 | 111.1 | G181 D184 K410 S411 Y414 | S179-G181 VanDerWaalsContact C-N 3.25Å; S179-G181 PolarHBondContact O-N 3.17Å; S179-G181 PolarHBondContact OG-O 3.37Å; S179-D184 WeakPolarHBondContact CB-O 3.18Å; S179-D184 PolarHBondContact OG-O 3.4Å; S179-K410 PolarHBondContact N-O 3Å; S179-S411 WeakPolarHBondContact OG-CA 3.31Å; S179-S411 WeakPolarHBondContact OG-CB 3.3Å; S179-Y414 PolarHBondContact O-OH 2.81Å | ||
| 180 | S | 83.6 | Confident | 89.4 | Confident | 112 Ų | 112 | 55.9 Ų | 55.9 | 78% | 0.783 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -68.4 | -24.2 | 177.4 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 181 | G | 79.2 | Confident | 89.4 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -172.5 | -178.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S179 E183 D184 | S179-G181 VanDerWaalsContact C-N 3.25Å; S179-G181 PolarHBondContact O-N 3.17Å; S179-G181 PolarHBondContact OG-O 3.37Å; G181-E183 VanDerWaalsContact C-N 3.25Å; G181-E183 PolarHBondContact O-N 2.71Å; G181-D184 PolarHBondContact O-N 3.31Å |
| 182 | I | 79.3 | Confident | 89.5 | Confident | 67 Ų | 67 | 59.7 Ų | 59.7 | 34% | 0.344 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26.2 | -177.9 | -164.3 | 167.9 | 0 | 0 | 0 | 113.3 | Y414 W415 L418 | I182-Y414 HydrophobicContact CB-CG 4.41Å; I182-W415 HydrophobicContact CD1-CD2 4.19Å; I182-W415 HydrophobicContact CD1-CE3 4.29Å; I182-W415 HydrophobicContact CD1-CZ2 4.44Å; I182-W415 HydrophobicContact CD1-CZ3 4.47Å; I182-W415 HydrophobicContact CG1-CD2 4.27Å; I182-W415 HydrophobicContact CG1-CZ2 4.07Å; I182-L418 HydrophobicContact CD1-CD2 4.3Å |
| 183 | E | 82 | Confident | 89.7 | Confident | 191 Ų | 191 | 58.6 Ų | 58.6 | 89% | 0.893 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -32.6 | -179.4 | -60.9 | -178.4 | 179.2 | 0 | 0 | 112.4 | G181 F185 | G181-E183 VanDerWaalsContact C-N 3.25Å; G181-E183 PolarHBondContact O-N 2.71Å; E183-F185 PolarHBondContact O-N 2.8Å |
| 184 | D | 83.5 | Confident | 89.9 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | trans | -90.1 | 96.5 | 174 | 178.9 | 18.3 | 0 | 0 | 0 | 109.5 | S179 G181 G186 S411 | S179-D184 WeakPolarHBondContact CB-O 3.18Å; S179-D184 PolarHBondContact OG-O 3.4Å; G181-D184 PolarHBondContact O-N 3.31Å; D184-G186 PolarHBondContact O-N 3.02Å; D184-G186 PolarHBondContact OD1-N 3.26Å; D184-G186 VanDerWaalsContact OD1-N 3.1Å; D184-S411 WeakPolarHBondContact O-CB 3.47Å | ||
| 185 | F | 84.4 | Confident | 90 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 38% | 0.377 | 32% | 0.32 | S | S | . | . | trans | -57.4 | -31.1 | 178.4 | -172.7 | -103.2 | 0 | 0 | 0 | 112.3 | E183 I188 P406 S411 | E183-F185 PolarHBondContact O-N 2.8Å; F185-I188 HydrophobicContact CE1-CG1 4.43Å; F185-P406 HydrophobicContact CE2-CB 4.11Å; F185-P406 HydrophobicContact CZ-CB 4.4Å; F185-S411 WeakPolarHBondContact CA-OG 3.27Å; F185-S411 PolarHBondContact O-N 3.27Å; F185-S411 PolarHBondContact O-OG 2.94Å | ||
| 186 | G | 87 | Confident | 90.1 | Very high | 28 Ų | 28 | 60.8 Ų | 60.8 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | trans | 59.1 | -149.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113 | D184 | D184-G186 PolarHBondContact O-N 3.02Å; D184-G186 PolarHBondContact OD1-N 3.26Å; D184-G186 VanDerWaalsContact OD1-N 3.1Å | ||
| 187 | T | 92.5 | Very high | 90.3 | Very high | 81 Ų | 81 | 62.1 Ų | 62.1 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | trans | -105.2 | 159.4 | 179.7 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | S409 K410 | T187-S409 WeakPolarHBondContact O-CA 3.49Å; T187-K410 WeakPolarHBondContact O-CG 3.47Å; T187-K410 PolarHBondContact O-N 3Å; T187-K410 VanDerWaalsContact OG1-CE 3.25Å; T187-K410 WeakPolarHBondContact OG1-CE 3.47Å | ||
| 188 | I | 93.6 | Very high | 90.5 | Very high | 47 Ų | 47 | 61.1 Ų | 61.1 | 24% | 0.241 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 130.7 | 171.1 | -63.8 | 165.8 | 0 | 0 | 0 | 109.1 | F185 W190 L193 I405 V408 | F185-I188 HydrophobicContact CE1-CG1 4.43Å; I188-W190 PolarHBondContact O-N 3.48Å; I188-L193 HydrophobicContact CG2-CB 4.1Å; I188-L193 HydrophobicContact CG2-CD1 4.42Å; I188-L193 HydrophobicContact CG2-CD2 4.16Å; I188-L193 HydrophobicContact CG2-CG 4.46Å; I188-I405 HydrophobicContact CD1-CG2 3.59Å; I188-I405 HydrophobicContact CG1-CG2 4.28Å; I188-V408 HydrophobicContact CG2-CG2 4.16Å |
| 189 | Q | 94 | Very high | 90.8 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | trans | -74.4 | 107.3 | 173 | -66.5 | -56.6 | -18.7 | 0 | 0 | 110.2 | L176 Q177 E191 L192 L193 V408 | L176-Q189 PolarHBondContact O-NE2 3.01Å; Q177-Q189 VanDerWaalsContact CD-CD 3.44Å; Q189-E191 VanDerWaalsContact C-N 3.29Å; Q189-E191 PolarHBondContact O-N 3Å; Q189-L192 HydrophobicContact CB-CB 3.95Å; Q189-L192 HydrophobicContact CB-CD1 3.91Å; Q189-L192 HydrophobicContact CB-CG 3.81Å; Q189-L192 HydrophobicContact CG-CD1 4.11Å; Q189-L192 HydrophobicContact CG-CG 4.46Å; Q189-L192 PolarHBondContact O-N 3.04Å; Q189-L192 VanDerWaalsContact O-N 3.16Å; Q189-L193 WeakPolarHBondContact O-CB 3.39Å; Q189-L193 PolarHBondContact O-N 3.26Å; Q189-V408 WeakPolarHBondContact CB-O 3.3Å; Q189-V408 PolarHBondContact N-O 2.92Å | ||
| 190 | W | 94.7 | Very high | 91.1 | Very high | 184 Ų | 184 | 59.4 Ų | 59.4 | 70% | 0.697 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.4 | -36.3 | -176.2 | -63.6 | 111.1 | 0 | 0 | 0 | 113.2 | I188 L193 I194 | I188-W190 PolarHBondContact O-N 3.48Å; W190-L193 HydrophobicContact CE3-CD2 3.62Å; W190-L193 HydrophobicContact CZ3-CD2 3.61Å; W190-L193 PolarHBondContact O-N 3.38Å; W190-I194 VanDerWaalsContact O-CG1 3.31Å; W190-I194 WeakPolarHBondContact O-CG1 3.45Å; W190-I194 PolarHBondContact O-N 3.29Å |
| 191 | E | 95.9 | Very high | 91.5 | Very high | 83 Ų | 83 | 58.6 Ų | 58.6 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 175.4 | -65.9 | 176.7 | 145.8 | 0 | 0 | 111.4 | F118 R174 Q189 L193 I194 L195 | F118-E191 HydrophobicContact CE2-CB 4.43Å; F118-E191 WeakPolarHBondContact CE2-OE2 3.27Å; R174-E191 IonicContact CZ-OE1 3.6Å; R174-E191 IonicContact CZ-OE2 3.96Å; R174-E191 IonicContact NH1-OE1 3.81Å; R174-E191 IonicContact NH1-OE2 3.72Å; R174-E191 PolarHBondContact NH1-OE2 2.8Å; R174-E191 IonicContact NH2-OE1 2.82Å; R174-E191 PolarHBondContact NH2-OE1 2.93Å; R174-E191 IonicContact NH2-OE2 3Å; R174-E191 PolarHBondContact NH2-OE2 3.43Å; R174-E191 VanDerWaalsContact NH2-OE2 3.16Å; Q189-E191 VanDerWaalsContact C-N 3.29Å; Q189-E191 PolarHBondContact O-N 3Å; E191-L193 VanDerWaalsContact C-N 3.32Å; E191-L193 PolarHBondContact O-N 2.95Å; E191-I194 PolarHBondContact O-N 3.42Å; E191-L195 WeakPolarHBondContact O-CG 3.39Å; E191-L195 PolarHBondContact O-N 3.5Å; E191-L195 VanDerWaalsContact O-N 3.08Å |
| 192 | L | 96.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.9 | -34.3 | 177.2 | -58.9 | -174.2 | 0 | 0 | 0 | 111.8 | V114 F118 L175 Q189 L195 L196 V408 | V114-L192 HydrophobicContact CG1-CB 4.13Å; V114-L192 HydrophobicContact CG1-CD2 4.03Å; F118-L192 HydrophobicContact CD2-CD2 4.14Å; L175-L192 HydrophobicContact CD2-CD1 4.38Å; L175-L192 HydrophobicContact CD2-CD2 4.42Å; Q189-L192 HydrophobicContact CB-CB 3.95Å; Q189-L192 HydrophobicContact CB-CD1 3.91Å; Q189-L192 HydrophobicContact CB-CG 3.81Å; Q189-L192 HydrophobicContact CG-CD1 4.11Å; Q189-L192 HydrophobicContact CG-CG 4.46Å; Q189-L192 PolarHBondContact O-N 3.04Å; Q189-L192 VanDerWaalsContact O-N 3.16Å; L192-L195 PolarHBondContact O-N 3.31Å; L192-L196 VanDerWaalsContact O-CB 3.24Å; L192-L196 WeakPolarHBondContact O-CB 3.49Å; L192-L196 PolarHBondContact O-N 2.87Å; L192-V408 HydrophobicContact CB-CB 3.92Å; L192-V408 HydrophobicContact CB-CG1 4.05Å |
| 193 | L | 96.7 | Very high | 92.5 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64 | -42.9 | 175.6 | -176 | 68.1 | 0 | 0 | 0 | 111.9 | I188 Q189 W190 E191 L196 A197 F401 I405 V408 | I188-L193 HydrophobicContact CG2-CB 4.1Å; I188-L193 HydrophobicContact CG2-CD1 4.42Å; I188-L193 HydrophobicContact CG2-CD2 4.16Å; I188-L193 HydrophobicContact CG2-CG 4.46Å; Q189-L193 WeakPolarHBondContact O-CB 3.39Å; Q189-L193 PolarHBondContact O-N 3.26Å; W190-L193 HydrophobicContact CE3-CD2 3.62Å; W190-L193 HydrophobicContact CZ3-CD2 3.61Å; W190-L193 PolarHBondContact O-N 3.38Å; E191-L193 VanDerWaalsContact C-N 3.32Å; E191-L193 PolarHBondContact O-N 2.95Å; L193-L196 WeakPolarHBondContact O-CB 3.47Å; L193-L196 PolarHBondContact O-N 3.42Å; L193-A197 PolarHBondContact O-N 3.09Å; L193-F401 HydrophobicContact CD1-CE2 4.31Å; L193-F401 HydrophobicContact CD1-CZ 4.1Å; L193-I405 HydrophobicContact CD1-CD1 4.36Å; L193-I405 HydrophobicContact CD1-CG1 3.92Å; L193-I405 HydrophobicContact CD1-CG2 4.38Å; L193-V408 HydrophobicContact CD1-CG2 4.29Å |
| 194 | I | 97 | Very high | 92.9 | Very high | 118 Ų | 118 | 48.7 Ų | 48.7 | 61% | 0.605 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.8 | -44.9 | 176.2 | -69.2 | 165.4 | 0 | 0 | 0 | 110.3 | W190 E191 L196 A197 A198 | W190-I194 VanDerWaalsContact O-CG1 3.31Å; W190-I194 WeakPolarHBondContact O-CG1 3.45Å; W190-I194 PolarHBondContact O-N 3.29Å; E191-I194 PolarHBondContact O-N 3.42Å; I194-L196 VanDerWaalsContact C-N 3.34Å; I194-L196 PolarHBondContact O-N 3.34Å; I194-A197 PolarHBondContact O-N 3.04Å; I194-A198 PolarHBondContact O-N 3.33Å |
| 195 | L | 97.1 | Very high | 93.1 | Very high | 21 Ų | 21 | 50.9 Ų | 50.9 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 176.7 | -67 | -178.3 | 0 | 0 | 0 | 112 | V114 L117 F118 F121 E191 L192 A198 V199 | V114-L195 HydrophobicContact CG1-CB 3.74Å; V114-L195 HydrophobicContact CG1-CD1 4.47Å; V114-L195 HydrophobicContact CG2-CB 4.48Å; L117-L195 HydrophobicContact CD2-CD2 3.9Å; L117-L195 HydrophobicContact CG-CD2 4.2Å; F118-L195 HydrophobicContact CB-CD1 3.78Å; F118-L195 HydrophobicContact CD2-CD1 3.99Å; F118-L195 HydrophobicContact CG-CD1 4.39Å; F121-L195 HydrophobicContact CD2-CD2 4.1Å; F121-L195 HydrophobicContact CE2-CD2 3.6Å; E191-L195 WeakPolarHBondContact O-CG 3.39Å; E191-L195 PolarHBondContact O-N 3.5Å; E191-L195 VanDerWaalsContact O-N 3.08Å; L192-L195 PolarHBondContact O-N 3.31Å; L195-A198 WeakPolarHBondContact O-CB 3.24Å; L195-A198 PolarHBondContact O-N 2.96Å; L195-V199 WeakPolarHBondContact O-CG2 3.31Å; L195-V199 PolarHBondContact O-N 3.21Å |
| 196 | L | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 173.7 | -177.1 | 67.6 | 0 | 0 | 0 | 110.9 | C110 V114 L192 L193 I194 A198 V199 W200 F401 V408 | C110-L196 HydrophobicContact CB-CD1 4.44Å; C110-L196 VanDerWaalsContact SG-CD1 3.58Å; V114-L196 VanDerWaalsContact CG2-CA 3.41Å; V114-L196 HydrophobicContact CG2-CB 3.91Å; V114-L196 HydrophobicContact CG2-CD1 3.9Å; L192-L196 VanDerWaalsContact O-CB 3.24Å; L192-L196 WeakPolarHBondContact O-CB 3.49Å; L192-L196 PolarHBondContact O-N 2.87Å; L193-L196 WeakPolarHBondContact O-CB 3.47Å; L193-L196 PolarHBondContact O-N 3.42Å; I194-L196 VanDerWaalsContact C-N 3.34Å; I194-L196 PolarHBondContact O-N 3.34Å; L196-A198 VanDerWaalsContact C-N 3.34Å; L196-A198 PolarHBondContact O-N 3.18Å; L196-V199 PolarHBondContact O-N 3.23Å; L196-W200 VanDerWaalsContact O-CD1 3.23Å; L196-W200 PolarHBondContact O-N 3.13Å; L196-F401 HydrophobicContact CB-CE2 4.39Å; L196-F401 HydrophobicContact CD2-CD2 4.08Å; L196-F401 HydrophobicContact CD2-CE2 4.09Å; L196-F401 HydrophobicContact CG-CD2 3.91Å; L196-F401 HydrophobicContact CG-CE2 4.04Å; L196-V408 HydrophobicContact CB-CG1 4.47Å; L196-V408 HydrophobicContact CD2-CG1 4.08Å; L196-V408 HydrophobicContact CD2-CG2 4.21Å |
| 197 | A | 96.2 | Very high | 93.1 | Very high | 32 Ų | 32 | 47.9 Ų | 47.9 | 26% | 0.264 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L193 I194 V199 W200 L201 F401 | L193-A197 PolarHBondContact O-N 3.09Å; I194-A197 PolarHBondContact O-N 3.04Å; A197-V199 PolarHBondContact O-N 3.12Å; A197-W200 PolarHBondContact O-N 3.05Å; A197-L201 WeakPolarHBondContact O-CB 3.23Å; A197-L201 WeakPolarHBondContact O-CG 3.45Å; A197-L201 PolarHBondContact O-N 2.93Å; A197-F401 HydrophobicContact CB-CD2 4.48Å; A197-F401 HydrophobicContact CB-CE2 3.73Å; A197-F401 HydrophobicContact CB-CZ 4.16Å |
| 198 | A | 95.3 | Very high | 92.6 | Very high | 46 Ų | 46 | 49.3 Ų | 49.3 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.5 | -42 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | I194 L195 L196 L201 A202 | I194-A198 PolarHBondContact O-N 3.33Å; L195-A198 WeakPolarHBondContact O-CB 3.24Å; L195-A198 PolarHBondContact O-N 2.96Å; L196-A198 VanDerWaalsContact C-N 3.34Å; L196-A198 PolarHBondContact O-N 3.18Å; A198-L201 PolarHBondContact O-N 3.38Å; A198-A202 WeakPolarHBondContact O-CB 3.43Å; A198-A202 PolarHBondContact O-N 3.42Å |
| 199 | V | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 176.6 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | C110 V114 L117 L195 L196 A197 L201 A202 T203 F370 I374 | C110-V199 WeakPolarHBondContact SG-CG1 3.31Å; V114-V199 HydrophobicContact CG2-CB 4.38Å; V114-V199 HydrophobicContact CG2-CG2 3.99Å; L117-V199 HydrophobicContact CD2-CG2 4.17Å; L195-V199 WeakPolarHBondContact O-CG2 3.31Å; L195-V199 PolarHBondContact O-N 3.21Å; L196-V199 PolarHBondContact O-N 3.23Å; A197-V199 PolarHBondContact O-N 3.12Å; V199-L201 VanDerWaalsContact C-N 3.33Å; V199-L201 PolarHBondContact O-N 2.85Å; V199-A202 WeakPolarHBondContact O-CB 3.29Å; V199-A202 PolarHBondContact O-N 2.81Å; V199-T203 PolarHBondContact O-N 3.02Å; V199-T203 PolarHBondContact O-OG1 3.41Å; V199-T203 VanDerWaalsContact O-OG1 3.12Å; V199-F370 HydrophobicContact CG2-CE2 3.96Å; V199-I374 HydrophobicContact CG1-CD1 3.74Å |
| 200 | W | 93.5 | Very high | 90.8 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -37 | 177.7 | -82.2 | 107.3 | 0 | 0 | 0 | 113.3 | N106 C110 L196 A197 T203 F204 C397 K400 F401 | N106-W200 VanDerWaalsContact OD1-CH2 3.3Å; N106-W200 WeakPolarHBondContact OD1-CH2 3.37Å; C110-W200 HydrophobicContact CB-CZ2 4.04Å; C110-W200 VanDerWaalsContact SG-CE2 3.59Å; C110-W200 PolarHBondContact SG-NE1 3.09Å; L196-W200 VanDerWaalsContact O-CD1 3.23Å; L196-W200 PolarHBondContact O-N 3.13Å; A197-W200 PolarHBondContact O-N 3.05Å; W200-T203 HydrophobicContact CZ3-CG2 4.49Å; W200-T203 PolarHBondContact O-N 3.09Å; W200-F204 WeakPolarHBondContact O-CB 3.47Å; W200-F204 PolarHBondContact O-N 2.63Å; W200-C397 HydrophobicContact CE3-CB 3.83Å; W200-C397 HydrophobicContact CZ3-CB 4.39Å; W200-K400 HydrophobicContact CH2-CB 3.27Å; W200-K400 HydrophobicContact CH2-CD 3.38Å; W200-K400 HydrophobicContact CH2-CG 4Å; W200-K400 HydrophobicContact CZ2-CB 3.33Å; W200-K400 HydrophobicContact CZ2-CD 4.2Å; W200-K400 HydrophobicContact CZ2-CG 4.44Å; W200-K400 HydrophobicContact CZ3-CB 3.9Å; W200-K400 HydrophobicContact CZ3-CD 3.91Å; W200-F401 HydrophobicContact CB-CB 4.34Å; W200-F401 AromaticContact CD1-CD2 3.72Å; W200-F401 HydrophobicContact CD2-CB 4.37Å; W200-F401 HydrophobicContact CG-CB 3.84Å; W200-F401 HydrophobicContact CG-CD2 4.35Å |
| 201 | L | 93 | Very high | 89.6 | Confident | 95 Ų | 95 | 46.1 Ų | 46.1 | 50% | 0.497 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.1 | -45 | 172.6 | -74.4 | 171.2 | 0 | 0 | 0 | 111 | A197 A198 V199 T203 F204 F205 | A197-L201 WeakPolarHBondContact O-CB 3.23Å; A197-L201 WeakPolarHBondContact O-CG 3.45Å; A197-L201 PolarHBondContact O-N 2.93Å; A198-L201 PolarHBondContact O-N 3.38Å; V199-L201 VanDerWaalsContact C-N 3.33Å; V199-L201 PolarHBondContact O-N 2.85Å; L201-T203 PolarHBondContact O-N 3.11Å; L201-F204 WeakPolarHBondContact O-CB 3.31Å; L201-F204 PolarHBondContact O-N 3.21Å; L201-F205 HydrophobicContact CB-CE2 4.36Å; L201-F205 WeakPolarHBondContact O-CD2 3.34Å; L201-F205 PolarHBondContact O-N 2.84Å |
| 202 | A | 90.5 | Very high | 88.3 | Confident | 39 Ų | 39 | 46.6 Ų | 46.6 | 32% | 0.322 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A198 V199 F204 F205 I206 | A198-A202 WeakPolarHBondContact O-CB 3.43Å; A198-A202 PolarHBondContact O-N 3.42Å; V199-A202 WeakPolarHBondContact O-CB 3.29Å; V199-A202 PolarHBondContact O-N 2.81Å; A202-F204 VanDerWaalsContact C-N 3.3Å; A202-F204 PolarHBondContact O-N 2.88Å; A202-F205 PolarHBondContact O-N 3.23Å; A202-I206 VanDerWaalsContact O-CG1 3.27Å; A202-I206 WeakPolarHBondContact O-CG1 3.25Å; A202-I206 PolarHBondContact O-N 3.48Å |
| 203 | T | 88.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 174.9 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | V199 W200 L201 I206 L207 V378 | V199-T203 PolarHBondContact O-N 3.02Å; V199-T203 PolarHBondContact O-OG1 3.41Å; V199-T203 VanDerWaalsContact O-OG1 3.12Å; W200-T203 HydrophobicContact CZ3-CG2 4.49Å; W200-T203 PolarHBondContact O-N 3.09Å; L201-T203 PolarHBondContact O-N 3.11Å; T203-I206 PolarHBondContact O-N 2.98Å; T203-L207 HydrophobicContact CG2-CD1 4.15Å; T203-L207 WeakPolarHBondContact O-CG 3.24Å; T203-L207 PolarHBondContact O-N 3.41Å; T203-L207 VanDerWaalsContact O-N 3.12Å; T203-V378 HydrophobicContact CG2-CG2 4.1Å |
| 204 | F | 89.8 | Confident | 86.1 | Confident | 30 Ų | 30 | 51.7 Ų | 51.7 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 176.9 | 172.5 | -116.6 | 0 | 0 | 0 | 112.2 | W200 L201 A202 I206 L207 W208 T390 V393 A394 C397 | W200-F204 WeakPolarHBondContact O-CB 3.47Å; W200-F204 PolarHBondContact O-N 2.63Å; L201-F204 WeakPolarHBondContact O-CB 3.31Å; L201-F204 PolarHBondContact O-N 3.21Å; A202-F204 VanDerWaalsContact C-N 3.3Å; A202-F204 PolarHBondContact O-N 2.88Å; F204-I206 PolarHBondContact O-N 3.47Å; F204-L207 CarbonylContact O-C 3.41Å; F204-L207 PolarHBondContact O-N 3.32Å; F204-W208 AromaticContact CD1-CE3 4Å; F204-W208 HydrophobicContact CD1-CE3 4Å; F204-W208 HydrophobicContact CD1-CZ3 4.37Å; F204-W208 HydrophobicContact CE1-CD2 4.4Å; F204-W208 AromaticContact CE1-CE3 3.16Å; F204-W208 HydrophobicContact CE1-CE3 3.16Å; F204-W208 HydrophobicContact CE1-CH2 4.49Å; F204-W208 AromaticContact CE1-CZ3 3.23Å; F204-W208 HydrophobicContact CE1-CZ3 3.23Å; F204-W208 HydrophobicContact CE2-CE3 4.07Å; F204-W208 HydrophobicContact CZ-CD2 4.14Å; F204-W208 AromaticContact CZ-CE3 3.18Å; F204-W208 HydrophobicContact CZ-CE3 3.18Å; F204-W208 HydrophobicContact CZ-CH2 4.33Å; F204-W208 AromaticContact CZ-CZ3 3.32Å; F204-W208 HydrophobicContact CZ-CZ3 3.32Å; F204-W208 WeakPolarHBondContact O-CA 3.35Å; F204-W208 WeakPolarHBondContact O-CB 3.31Å; F204-W208 PolarHBondContact O-N 3.28Å; F204-T390 HydrophobicContact CE2-CG2 3.92Å; F204-T390 HydrophobicContact CZ-CG2 3.98Å; F204-V393 HydrophobicContact CD2-CB 4.43Å; F204-V393 HydrophobicContact CD2-CG1 4.01Å; F204-A394 HydrophobicContact CD2-CB 4.21Å; F204-A394 HydrophobicContact CE2-CB 3.55Å; F204-A394 HydrophobicContact CZ-CB 3.93Å; F204-C397 HydrophobicContact CB-CB 4.46Å |
| 205 | F | 88.9 | Confident | 84.8 | Confident | 128 Ų | 128 | 49.8 Ų | 49.8 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.2 | -37.1 | 177.9 | -75.3 | -61.1 | 0 | 0 | 0 | 113 | L201 A202 L207 W208 | L201-F205 HydrophobicContact CB-CE2 4.36Å; L201-F205 WeakPolarHBondContact O-CD2 3.34Å; L201-F205 PolarHBondContact O-N 2.84Å; A202-F205 PolarHBondContact O-N 3.23Å; F205-L207 VanDerWaalsContact C-N 3.3Å; F205-L207 PolarHBondContact O-N 3.13Å; F205-W208 HydrophobicContact CD1-CE3 4.3Å; F205-W208 HydrophobicContact CE1-CE3 4.32Å; F205-W208 HydrophobicContact CE1-CZ3 4.5Å; F205-W208 PolarHBondContact O-N 2.83Å |
| 206 | I | 85.6 | Confident | 83.8 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 26% | 0.256 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 174.3 | -68.4 | 165.1 | 0 | 0 | 0 | 110.5 | A202 T203 F204 A214 A217 I374 V378 | A202-I206 VanDerWaalsContact O-CG1 3.27Å; A202-I206 WeakPolarHBondContact O-CG1 3.25Å; A202-I206 PolarHBondContact O-N 3.48Å; T203-I206 PolarHBondContact O-N 2.98Å; F204-I206 PolarHBondContact O-N 3.47Å; I206-A214 HydrophobicContact CG2-CB 4.22Å; I206-A217 HydrophobicContact CG2-CB 3.99Å; I206-I374 HydrophobicContact CD1-CG2 4.06Å; I206-V378 HydrophobicContact CB-CG2 4.41Å; I206-V378 HydrophobicContact CD1-CG2 4.06Å; I206-V378 HydrophobicContact CG2-CG1 3.72Å; I206-V378 HydrophobicContact CG2-CG2 4.05Å |
| 207 | L | 83.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -87.4 | -15.6 | -177.5 | -67.3 | 177.7 | 0 | 0 | 0 | 114.2 | T203 F204 F205 H209 G210 A214 V378 T381 A382 M385 V393 | T203-L207 HydrophobicContact CG2-CD1 4.15Å; T203-L207 WeakPolarHBondContact O-CG 3.24Å; T203-L207 PolarHBondContact O-N 3.41Å; T203-L207 VanDerWaalsContact O-N 3.12Å; F204-L207 CarbonylContact O-C 3.41Å; F204-L207 PolarHBondContact O-N 3.32Å; F205-L207 VanDerWaalsContact C-N 3.3Å; F205-L207 PolarHBondContact O-N 3.13Å; L207-H209 PolarHBondContact O-N 3.44Å; L207-G210 PolarHBondContact O-N 3.15Å; L207-A214 HydrophobicContact CD2-CB 4.17Å; L207-V378 HydrophobicContact CD2-CG1 3.53Å; L207-V378 HydrophobicContact CG-CG1 3.99Å; L207-T381 HydrophobicContact CD1-CG2 3.59Å; L207-A382 HydrophobicContact CD2-CB 4.1Å; L207-M385 HydrophobicContact CB-SD 4.15Å; L207-M385 HydrophobicContact CD2-SD 3.97Å; L207-M385 HydrophobicContact CG-SD 4.49Å; L207-M385 WeakPolarHBondContact O-CE 3.27Å; L207-V393 HydrophobicContact CB-CG1 3.78Å; L207-V393 HydrophobicContact CD1-CG1 4.1Å |
| 208 | W | 83.7 | Confident | 81.7 | Confident | 111 Ų | 111 | 57 Ų | 57 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -42.3 | -171.7 | 179.3 | -63.4 | 0 | 0 | 0 | 112.6 | F204 F205 T390 | F204-W208 AromaticContact CD1-CE3 4Å; F204-W208 HydrophobicContact CD1-CE3 4Å; F204-W208 HydrophobicContact CD1-CZ3 4.37Å; F204-W208 HydrophobicContact CE1-CD2 4.4Å; F204-W208 AromaticContact CE1-CE3 3.16Å; F204-W208 HydrophobicContact CE1-CE3 3.16Å; F204-W208 HydrophobicContact CE1-CH2 4.49Å; F204-W208 AromaticContact CE1-CZ3 3.23Å; F204-W208 HydrophobicContact CE1-CZ3 3.23Å; F204-W208 HydrophobicContact CE2-CE3 4.07Å; F204-W208 HydrophobicContact CZ-CD2 4.14Å; F204-W208 AromaticContact CZ-CE3 3.18Å; F204-W208 HydrophobicContact CZ-CE3 3.18Å; F204-W208 HydrophobicContact CZ-CH2 4.33Å; F204-W208 AromaticContact CZ-CZ3 3.32Å; F204-W208 HydrophobicContact CZ-CZ3 3.32Å; F204-W208 WeakPolarHBondContact O-CA 3.35Å; F204-W208 WeakPolarHBondContact O-CB 3.31Å; F204-W208 PolarHBondContact O-N 3.28Å; F205-W208 HydrophobicContact CD1-CE3 4.3Å; F205-W208 HydrophobicContact CE1-CE3 4.32Å; F205-W208 HydrophobicContact CE1-CZ3 4.5Å; F205-W208 PolarHBondContact O-N 2.83Å; W208-T390 HydrophobicContact CD2-CG2 3.56Å; W208-T390 HydrophobicContact CE3-CG2 4.02Å; W208-T390 HydrophobicContact CG-CG2 3.83Å; W208-T390 HydrophobicContact CH2-CG2 4.48Å; W208-T390 HydrophobicContact CZ2-CG2 4.09Å; W208-T390 HydrophobicContact CZ3-CG2 4.46Å; W208-T390 PolarHBondContact O-OG1 3.09Å; W208-T390 VanDerWaalsContact O-OG1 3.04Å |
| 209 | H | 77.8 | Confident | 81.1 | Confident | 122 Ų | 122 | 58.1 Ų | 58.1 | 57% | 0.565 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 5.1 | -174.2 | -72.3 | 95.4 | 0 | 0 | 0 | 115 | L207 K213 | L207-H209 PolarHBondContact O-N 3.44Å; H209-K213 HydrophobicContact CB-CB 4.07Å; H209-K213 HydrophobicContact CB-CD 3.72Å; H209-K213 HydrophobicContact CB-CG 4.14Å |
| 210 | G | 71.8 | Confident | 80.5 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | trans | 99.2 | 157 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L207 T212 K213 A214 M385 | L207-G210 PolarHBondContact O-N 3.15Å; G210-T212 PolarHBondContact O-N 2.95Å; G210-K213 PolarHBondContact O-N 3.08Å; G210-A214 PolarHBondContact O-N 3.35Å; G210-A214 VanDerWaalsContact O-N 3.11Å; G210-M385 VanDerWaalsContact CA-CE 3.49Å | ||
| 211 | I | 68.5 | Low | 80 | Confident | 36 Ų | 36 | 63.9 Ų | 63.9 | 19% | 0.185 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.2 | -35.4 | -179.6 | -159.9 | 169.5 | 0 | 0 | 0 | 112.5 | K213 A214 R215 A382 | I211-K213 VanDerWaalsContact C-N 3.34Å; I211-K213 PolarHBondContact O-N 2.99Å; I211-A214 PolarHBondContact O-N 2.98Å; I211-R215 WeakPolarHBondContact O-CG 3.31Å; I211-R215 PolarHBondContact O-N 3.2Å; I211-A382 HydrophobicContact CD1-CB 3.95Å; I211-A382 HydrophobicContact CG1-CB 4.29Å |
| 212 | T | 68.5 | Low | 79.3 | Confident | 92 Ų | 92 | 59.6 Ų | 59.6 | 56% | 0.564 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.9 | -40 | -179.8 | -51.8 | 0 | 0 | 0 | 0 | 112.8 | G210 | G210-T212 PolarHBondContact O-N 2.95Å |
| 213 | K | 73.4 | Confident | 79.2 | Confident | 135 Ų | 135 | 61.7 Ų | 61.7 | 59% | 0.587 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -80.8 | -36.4 | 175.3 | -65.6 | -154.4 | -164 | 174.6 | 0 | 111.3 | H209 G210 I211 R215 K216 | H209-K213 HydrophobicContact CB-CB 4.07Å; H209-K213 HydrophobicContact CB-CD 3.72Å; H209-K213 HydrophobicContact CB-CG 4.14Å; G210-K213 PolarHBondContact O-N 3.08Å; I211-K213 VanDerWaalsContact C-N 3.34Å; I211-K213 PolarHBondContact O-N 2.99Å; K213-R215 PolarHBondContact O-N 3.26Å; K213-K216 PolarHBondContact O-N 3.22Å; K213-K216 VanDerWaalsContact O-N 3.14Å |
| 214 | A | 74.5 | Confident | 79.3 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59 | -27.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I206 L207 G210 I211 K216 A217 F218 | I206-A214 HydrophobicContact CG2-CB 4.22Å; L207-A214 HydrophobicContact CD2-CB 4.17Å; G210-A214 PolarHBondContact O-N 3.35Å; G210-A214 VanDerWaalsContact O-N 3.11Å; I211-A214 PolarHBondContact O-N 2.98Å; A214-K216 PolarHBondContact O-N 3.26Å; A214-K216 VanDerWaalsContact O-N 3.15Å; A214-A217 WeakPolarHBondContact O-CA 3.35Å; A214-A217 VanDerWaalsContact O-CB 3.31Å; A214-A217 WeakPolarHBondContact O-CB 3.2Å; A214-A217 PolarHBondContact O-N 3.3Å; A214-F218 HydrophobicContact CB-CE2 4.38Å; A214-F218 PolarHBondContact O-N 2.96Å |
| 215 | R | 68.9 | Low | 79.4 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -51.2 | -37.2 | 172.9 | -75.7 | -167.2 | -62.7 | -136.3 | 10.9 | 113.8 | I211 K213 A217 F218 Y219 | I211-R215 WeakPolarHBondContact O-CG 3.31Å; I211-R215 PolarHBondContact O-N 3.2Å; K213-R215 PolarHBondContact O-N 3.26Å; R215-A217 VanDerWaalsContact C-N 3.29Å; R215-A217 PolarHBondContact O-N 2.75Å; R215-F218 HydrophobicContact CG-CD2 4.35Å; R215-F218 WeakPolarHBondContact O-CB 3.5Å; R215-F218 PolarHBondContact O-N 2.95Å; R215-F218 VanDerWaalsContact O-N 3.15Å; R215-Y219 VanDerWaalsContact O-CD2 3.24Å; R215-Y219 WeakPolarHBondContact O-CD2 3.47Å; R215-Y219 PolarHBondContact O-N 2.98Å |
| 216 | K | 76.4 | Confident | 79.4 | Confident | 166 Ų | 166 | 60 Ų | 60 | 72% | 0.722 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.5 | -36.4 | 175.8 | -66.2 | -173.5 | 177.8 | -173.2 | 0 | 112.5 | K213 A214 Y219 I220 | K213-K216 PolarHBondContact O-N 3.22Å; K213-K216 VanDerWaalsContact O-N 3.14Å; A214-K216 PolarHBondContact O-N 3.26Å; A214-K216 VanDerWaalsContact O-N 3.15Å; K216-Y219 PolarHBondContact O-N 3.41Å; K216-I220 PolarHBondContact O-N 2.96Å |
| 217 | A | 75.7 | Confident | 79.8 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 24% | 0.24 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I206 A214 R215 Y219 I220 C221 | I206-A217 HydrophobicContact CG2-CB 3.99Å; A214-A217 WeakPolarHBondContact O-CA 3.35Å; A214-A217 VanDerWaalsContact O-CB 3.31Å; A214-A217 WeakPolarHBondContact O-CB 3.2Å; A214-A217 PolarHBondContact O-N 3.3Å; R215-A217 VanDerWaalsContact C-N 3.29Å; R215-A217 PolarHBondContact O-N 2.75Å; A217-Y219 VanDerWaalsContact C-N 3.3Å; A217-Y219 PolarHBondContact O-N 3.45Å; A217-I220 PolarHBondContact O-N 3.2Å; A217-I220 VanDerWaalsContact O-N 3.1Å; A217-C221 PolarHBondContact O-N 3.02Å; A217-C221 PolarHBondContact O-SG 3.45Å |
| 218 | F | 73.9 | Confident | 80.3 | Confident | 10 Ų | 10 | 62 Ų | 62 | 4% | 0.044 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.2 | -38.3 | 174.2 | -66.6 | -47 | 0 | 0 | 0 | 112.8 | A214 R215 I220 C221 A222 D375 V378 | A214-F218 HydrophobicContact CB-CE2 4.38Å; A214-F218 PolarHBondContact O-N 2.96Å; R215-F218 HydrophobicContact CG-CD2 4.35Å; R215-F218 WeakPolarHBondContact O-CB 3.5Å; R215-F218 PolarHBondContact O-N 2.95Å; R215-F218 VanDerWaalsContact O-N 3.15Å; F218-I220 VanDerWaalsContact C-N 3.31Å; F218-I220 PolarHBondContact O-N 3.06Å; F218-C221 PolarHBondContact O-N 3.36Å; F218-A222 WeakPolarHBondContact O-CB 3.43Å; F218-A222 PolarHBondContact O-N 3.41Å; F218-D375 VanDerWaalsContact CD1-OD1 3.29Å; F218-D375 WeakPolarHBondContact CD1-OD1 3.49Å; F218-V378 HydrophobicContact CD1-CG1 4.37Å; F218-V378 HydrophobicContact CE1-CB 3.72Å; F218-V378 HydrophobicContact CE1-CG1 3.36Å; F218-V378 HydrophobicContact CE2-CG1 4.42Å; F218-V378 HydrophobicContact CZ-CB 4.14Å; F218-V378 HydrophobicContact CZ-CG1 3.38Å |
| 219 | Y | 80.7 | Confident | 80.7 | Confident | 69 Ų | 69 | 57.2 Ų | 57.2 | 27% | 0.271 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.5 | -45.3 | 173.1 | -90.2 | -85.9 | 0 | 0 | 0 | 112.3 | D21 I24 R215 K216 A217 V223 | D21-Y219 WeakPolarHBondContact CA-OH 3.17Å; D21-Y219 PolarHBondContact N-OH 2.91Å; D21-Y219 VanDerWaalsContact OD1-CE2 3.24Å; D21-Y219 WeakPolarHBondContact OD1-CE2 3.5Å; D21-Y219 VanDerWaalsContact OD1-CZ 3.28Å; D21-Y219 PolarHBondContact OD1-OH 2.93Å; I24-Y219 HydrophobicContact CB-CE1 4.25Å; I24-Y219 HydrophobicContact CD1-CD1 3.95Å; I24-Y219 HydrophobicContact CD1-CE1 3.17Å; I24-Y219 HydrophobicContact CG1-CE1 4.26Å; I24-Y219 HydrophobicContact CG2-CD1 3.82Å; I24-Y219 HydrophobicContact CG2-CE1 3.9Å; I24-Y219 HydrophobicContact CG2-CG 4.23Å; R215-Y219 VanDerWaalsContact O-CD2 3.24Å; R215-Y219 WeakPolarHBondContact O-CD2 3.47Å; R215-Y219 PolarHBondContact O-N 2.98Å; K216-Y219 PolarHBondContact O-N 3.41Å; A217-Y219 VanDerWaalsContact C-N 3.3Å; A217-Y219 PolarHBondContact O-N 3.45Å; Y219-V223 WeakPolarHBondContact O-CB 3.32Å; Y219-V223 VanDerWaalsContact O-CG2 3.28Å; Y219-V223 WeakPolarHBondContact O-CG2 3.43Å; Y219-V223 PolarHBondContact O-N 3.31Å; Y219-V223 VanDerWaalsContact O-N 3.13Å |
| 220 | I | 83.8 | Confident | 81.5 | Confident | 111 Ų | 111 | 56 Ų | 56 | 57% | 0.569 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.6 | -44.6 | 177.9 | -61.5 | 172.4 | 0 | 0 | 0 | 110 | K216 A217 F218 A222 V223 V224 | K216-I220 PolarHBondContact O-N 2.96Å; A217-I220 PolarHBondContact O-N 3.2Å; A217-I220 VanDerWaalsContact O-N 3.1Å; F218-I220 VanDerWaalsContact C-N 3.31Å; F218-I220 PolarHBondContact O-N 3.06Å; I220-A222 VanDerWaalsContact C-N 3.27Å; I220-A222 PolarHBondContact O-N 2.83Å; I220-V223 PolarHBondContact O-N 3.02Å; I220-V224 HydrophobicContact CG2-CG2 3.76Å; I220-V224 WeakPolarHBondContact O-CB 3.39Å; I220-V224 VanDerWaalsContact O-CG2 3.29Å; I220-V224 WeakPolarHBondContact O-CG2 3.32Å; I220-V224 PolarHBondContact O-N 3.21Å |
| 221 | C | 81.2 | Confident | 82.6 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.8 | -27.8 | -179.5 | -61.4 | 0 | 0 | 0 | 0 | 113.1 | A217 F218 P225 I371 D375 | A217-C221 PolarHBondContact O-N 3.02Å; A217-C221 PolarHBondContact O-SG 3.45Å; F218-C221 PolarHBondContact O-N 3.36Å; C221-P225 WeakPolarHBondContact O-CD 3.19Å; C221-P225 WeakPolarHBondContact O-CG 3.47Å; C221-I371 HydrophobicContact CB-CG2 4.08Å; C221-D375 HydrophobicContact CB-CB 3.81Å |
| 222 | A | 79.8 | Confident | 83.8 | Confident | 6 Ų | 6 | 57 Ų | 57 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -77.3 | -44.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I24 A28 F218 I220 Y226 | I24-A222 HydrophobicContact CG2-CB 4.28Å; A28-A222 HydrophobicContact CB-CB 3.81Å; F218-A222 WeakPolarHBondContact O-CB 3.43Å; F218-A222 PolarHBondContact O-N 3.41Å; I220-A222 VanDerWaalsContact C-N 3.27Å; I220-A222 PolarHBondContact O-N 2.83Å; A222-Y226 WeakPolarHBondContact O-CD2 3.24Å |
| 223 | V | 88.1 | Confident | 85.1 | Confident | 82 Ų | 82 | 54.5 Ų | 54.5 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -79.5 | -42.8 | -170.8 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | Y219 I220 Y226 V227 | Y219-V223 WeakPolarHBondContact O-CB 3.32Å; Y219-V223 VanDerWaalsContact O-CG2 3.28Å; Y219-V223 WeakPolarHBondContact O-CG2 3.43Å; Y219-V223 PolarHBondContact O-N 3.31Å; Y219-V223 VanDerWaalsContact O-N 3.13Å; I220-V223 PolarHBondContact O-N 3.02Å; V223-Y226 PolarHBondContact O-N 3.23Å; V223-V227 HydrophobicContact CG1-CG2 4.27Å; V223-V227 PolarHBondContact O-N 3.02Å |
| 224 | V | 91 | Very high | 86.1 | Confident | 46 Ų | 46 | 52.9 Ų | 52.9 | 28% | 0.279 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | -173.7 | 173.1 | 0 | 0 | 0 | 0 | 112.3 | I220 Y226 V227 L228 I371 | I220-V224 HydrophobicContact CG2-CG2 3.76Å; I220-V224 WeakPolarHBondContact O-CB 3.39Å; I220-V224 VanDerWaalsContact O-CG2 3.29Å; I220-V224 WeakPolarHBondContact O-CG2 3.32Å; I220-V224 PolarHBondContact O-N 3.21Å; V224-Y226 VanDerWaalsContact C-N 3.29Å; V224-Y226 PolarHBondContact O-N 3.45Å; V224-V227 PolarHBondContact O-N 2.87Å; V224-V227 VanDerWaalsContact O-N 3.14Å; V224-L228 HydrophobicContact CG1-CD1 3.73Å; V224-L228 HydrophobicContact CG1-CG 4.06Å; V224-L228 WeakPolarHBondContact O-CG 3.37Å; V224-L228 PolarHBondContact O-N 3Å; V224-I371 HydrophobicContact CB-CD1 4.24Å; V224-I371 HydrophobicContact CG1-CD1 3.55Å |
| 225 | P | 90.6 | Very high | 87.1 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.5 | -35.2 | 176.5 | -27.9 | 38.4 | 0 | 0 | 0 | 113.9 | C221 L228 L229 M368 I371 L372 | C221-P225 WeakPolarHBondContact O-CD 3.19Å; C221-P225 WeakPolarHBondContact O-CG 3.47Å; P225-L228 PolarHBondContact O-N 3.37Å; P225-L229 WeakPolarHBondContact O-CB 3.32Å; P225-L229 PolarHBondContact O-N 2.88Å; P225-M368 HydrophobicContact CB-CG 4.12Å; P225-I371 HydrophobicContact CG-CB 4.39Å; P225-I371 HydrophobicContact CG-CG2 3.72Å; P225-L372 HydrophobicContact CB-CD2 3.66Å; P225-L372 HydrophobicContact CB-CG 4.03Å; P225-L372 HydrophobicContact CG-CD2 3.72Å; P225-L372 HydrophobicContact CG-CG 4.06Å |
| 226 | Y | 90.3 | Very high | 88.3 | Confident | 71 Ų | 71 | 51.2 Ų | 51.2 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 174 | -81.6 | -64.4 | 0 | 0 | 0 | 112.8 | I27 I31 A222 V223 V224 L229 L230 I306 T310 | I27-Y226 HydrophobicContact CG2-CE2 4.05Å; I31-Y226 HydrophobicContact CD1-CD2 4.1Å; I31-Y226 HydrophobicContact CD1-CE1 4.41Å; I31-Y226 HydrophobicContact CD1-CE2 3.12Å; I31-Y226 WeakPolarHBondContact CD1-OH 2.89Å; I31-Y226 HydrophobicContact CG1-CE2 4.31Å; I31-Y226 WeakPolarHBondContact CG1-OH 3.28Å; A222-Y226 WeakPolarHBondContact O-CD2 3.24Å; V223-Y226 PolarHBondContact O-N 3.23Å; V224-Y226 VanDerWaalsContact C-N 3.29Å; V224-Y226 PolarHBondContact O-N 3.45Å; Y226-L229 PolarHBondContact O-N 3.42Å; Y226-L230 WeakPolarHBondContact O-CB 3.32Å; Y226-L230 PolarHBondContact O-N 3.43Å; Y226-I306 WeakPolarHBondContact OH-CG2 3.46Å; Y226-T310 HydrophobicContact CE1-CG2 3.69Å; Y226-T310 VanDerWaalsContact CE1-OG1 3.25Å; Y226-T310 WeakPolarHBondContact CE1-OG1 3.12Å; Y226-T310 PolarHBondContact OH-OG1 2.87Å |
| 227 | V | 93.8 | Very high | 89.2 | Confident | 77 Ų | 77 | 46 Ų | 46 | 47% | 0.467 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 176.8 | 175.9 | 0 | 0 | 0 | 0 | 110 | V223 V224 L230 I231 | V223-V227 HydrophobicContact CG1-CG2 4.27Å; V223-V227 PolarHBondContact O-N 3.02Å; V224-V227 PolarHBondContact O-N 2.87Å; V224-V227 VanDerWaalsContact O-N 3.14Å; V227-L230 PolarHBondContact O-N 3.26Å; V227-I231 HydrophobicContact CG1-CD1 3.93Å; V227-I231 VanDerWaalsContact O-CG1 3.29Å; V227-I231 WeakPolarHBondContact O-CG1 3.29Å; V227-I231 PolarHBondContact O-N 3.48Å |
| 228 | L | 93.8 | Very high | 90.1 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 177.6 | -66.5 | 176.4 | 0 | 0 | 0 | 111.8 | V224 P225 L230 I231 L232 L364 M368 | V224-L228 HydrophobicContact CG1-CD1 3.73Å; V224-L228 HydrophobicContact CG1-CG 4.06Å; V224-L228 WeakPolarHBondContact O-CG 3.37Å; V224-L228 PolarHBondContact O-N 3Å; P225-L228 PolarHBondContact O-N 3.37Å; L228-L230 VanDerWaalsContact C-N 3.33Å; L228-L230 PolarHBondContact O-N 2.88Å; L228-I231 PolarHBondContact O-N 3.38Å; L228-L232 WeakPolarHBondContact O-CB 3.1Å; L228-L232 VanDerWaalsContact O-CG 3.27Å; L228-L232 WeakPolarHBondContact O-CG 3.34Å; L228-L232 PolarHBondContact O-N 3.5Å; L228-L364 HydrophobicContact CD2-CB 4.25Å; L228-L364 HydrophobicContact CD2-CD2 3.83Å; L228-L364 HydrophobicContact CD2-CG 4.49Å; L228-M368 HydrophobicContact CB-CB 4.08Å; L228-M368 HydrophobicContact CB-CG 4.16Å; L228-M368 HydrophobicContact CB-SD 4.18Å; L228-M368 HydrophobicContact CD1-CB 3.68Å; L228-M368 HydrophobicContact CD1-CG 4.33Å |
| 229 | L | 93 | Very high | 91.1 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -42 | 176.9 | -175.2 | 62.5 | 0 | 0 | 0 | 111.6 | P225 Y226 L232 L233 T310 T313 A314 A317 M368 | P225-L229 WeakPolarHBondContact O-CB 3.32Å; P225-L229 PolarHBondContact O-N 2.88Å; Y226-L229 PolarHBondContact O-N 3.42Å; L229-L232 PolarHBondContact O-N 3.29Å; L229-L233 VanDerWaalsContact O-CB 3.28Å; L229-L233 WeakPolarHBondContact O-CB 3.42Å; L229-L233 PolarHBondContact O-N 3.41Å; L229-T310 HydrophobicContact CD2-CG2 4.31Å; L229-T313 HydrophobicContact CD2-CG2 4.19Å; L229-T313 HydrophobicContact CG-CG2 4.47Å; L229-A314 HydrophobicContact CD1-CB 4.14Å; L229-A314 HydrophobicContact CD2-CB 4.27Å; L229-A317 HydrophobicContact CD1-CB 4Å; L229-M368 HydrophobicContact CB-SD 4.2Å; L229-M368 HydrophobicContact CD1-SD 4.45Å |
| 230 | L | 94.3 | Very high | 91.8 | Very high | 98 Ų | 98 | 49.4 Ų | 49.4 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 176.2 | -178.8 | 63 | 0 | 0 | 0 | 111.6 | Y226 V227 L228 L233 I234 | Y226-L230 WeakPolarHBondContact O-CB 3.32Å; Y226-L230 PolarHBondContact O-N 3.43Å; V227-L230 PolarHBondContact O-N 3.26Å; L228-L230 VanDerWaalsContact C-N 3.33Å; L228-L230 PolarHBondContact O-N 2.88Å; L230-L233 PolarHBondContact O-N 3.39Å; L230-I234 HydrophobicContact CD1-CD1 4.23Å; L230-I234 HydrophobicContact CD1-CG1 4.45Å; L230-I234 HydrophobicContact CG-CD1 4.08Å; L230-I234 VanDerWaalsContact O-CG1 3.32Å; L230-I234 WeakPolarHBondContact O-CG1 3.31Å; L230-I234 PolarHBondContact O-N 3.12Å |
| 231 | I | 95.3 | Very high | 92.2 | Very high | 66 Ų | 66 | 44.8 Ų | 44.8 | 34% | 0.338 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 175.8 | -69.8 | 165.4 | 0 | 0 | 0 | 110.5 | V227 L228 L233 I234 R235 W361 L364 | V227-I231 HydrophobicContact CG1-CD1 3.93Å; V227-I231 VanDerWaalsContact O-CG1 3.29Å; V227-I231 WeakPolarHBondContact O-CG1 3.29Å; V227-I231 PolarHBondContact O-N 3.48Å; L228-I231 PolarHBondContact O-N 3.38Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 PolarHBondContact O-N 3.36Å; I231-I234 PolarHBondContact O-N 2.98Å; I231-R235 WeakPolarHBondContact O-CB 3.48Å; I231-R235 PolarHBondContact O-N 2.94Å; I231-W361 HydrophobicContact CG2-CZ3 3.97Å; I231-L364 HydrophobicContact CG2-CD1 4.12Å |
| 232 | L | 92.8 | Very high | 92.9 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.4 | -34.5 | 178.3 | -70.3 | 172.9 | 0 | 0 | 0 | 112.3 | L228 L229 G236 W361 F365 M368 | L228-L232 WeakPolarHBondContact O-CB 3.1Å; L228-L232 VanDerWaalsContact O-CG 3.27Å; L228-L232 WeakPolarHBondContact O-CG 3.34Å; L228-L232 PolarHBondContact O-N 3.5Å; L229-L232 PolarHBondContact O-N 3.29Å; L232-G236 PolarHBondContact O-N 2.95Å; L232-W361 HydrophobicContact CD2-CE3 4.48Å; L232-F365 HydrophobicContact CD1-CB 4.35Å; L232-F365 HydrophobicContact CD1-CD2 3.9Å; L232-M368 HydrophobicContact CD1-CE 3.97Å; L232-M368 HydrophobicContact CD1-SD 4.14Å |
| 233 | L | 94.7 | Very high | 93.6 | Very high | 40 Ų | 40 | 49 Ų | 49 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.5 | -49.6 | 174.3 | 175.3 | 63.3 | 0 | 0 | 0 | 111.4 | L229 L230 I231 R235 G236 A237 T313 F316 A317 | L229-L233 VanDerWaalsContact O-CB 3.28Å; L229-L233 WeakPolarHBondContact O-CB 3.42Å; L229-L233 PolarHBondContact O-N 3.41Å; L230-L233 PolarHBondContact O-N 3.39Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 PolarHBondContact O-N 3.36Å; L233-R235 VanDerWaalsContact C-N 3.28Å; L233-R235 PolarHBondContact O-N 2.85Å; L233-G236 PolarHBondContact O-N 3.42Å; L233-A237 VanDerWaalsContact O-CB 3.29Å; L233-A237 WeakPolarHBondContact O-CB 3.41Å; L233-A237 PolarHBondContact O-N 3.41Å; L233-T313 HydrophobicContact CD2-CG2 3.86Å; L233-F316 HydrophobicContact CD1-CB 3.72Å; L233-A317 HydrophobicContact CB-CB 4.06Å; L233-A317 HydrophobicContact CD1-CB 4.16Å |
| 234 | I | 96.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 48.5 Ų | 48.5 | 52% | 0.518 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 177.6 | -67.1 | 166.2 | 0 | 0 | 0 | 109.5 | L230 I231 T238 | L230-I234 HydrophobicContact CD1-CD1 4.23Å; L230-I234 HydrophobicContact CD1-CG1 4.45Å; L230-I234 HydrophobicContact CG-CD1 4.08Å; L230-I234 VanDerWaalsContact O-CG1 3.32Å; L230-I234 WeakPolarHBondContact O-CG1 3.31Å; L230-I234 PolarHBondContact O-N 3.12Å; I231-I234 PolarHBondContact O-N 2.98Å; I234-T238 VanDerWaalsContact O-CG2 3.32Å; I234-T238 WeakPolarHBondContact O-CG2 3.19Å; I234-T238 PolarHBondContact O-N 3.31Å; I234-T238 PolarHBondContact O-OG1 3.37Å |
| 235 | R | 95.1 | Very high | 94 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -52 | 176.4 | -180 | 54.9 | 178.5 | 154.3 | 2 | 111.3 | I231 L233 A237 T238 L239 M355 P356 W361 | I231-R235 WeakPolarHBondContact O-CB 3.48Å; I231-R235 PolarHBondContact O-N 2.94Å; L233-R235 VanDerWaalsContact C-N 3.28Å; L233-R235 PolarHBondContact O-N 2.85Å; R235-A237 VanDerWaalsContact C-N 3.3Å; R235-A237 PolarHBondContact O-N 2.98Å; R235-T238 PolarHBondContact O-N 3.32Å; R235-T238 VanDerWaalsContact O-N 3.11Å; R235-T238 PolarHBondContact O-OG1 3.05Å; R235-L239 VanDerWaalsContact CZ-CD2 3.48Å; R235-L239 WeakPolarHBondContact O-CG 3.36Å; R235-L239 PolarHBondContact O-N 3.35Å; R235-M355 HydrophobicContact CG-SD 4.41Å; R235-P356 VanDerWaalsContact NH2-CD 3.28Å; R235-W361 HydrophobicContact CB-CE3 4.17Å; R235-W361 HydrophobicContact CB-CH2 3.73Å; R235-W361 HydrophobicContact CB-CZ2 4.42Å; R235-W361 HydrophobicContact CB-CZ3 3.58Å; R235-W361 VanDerWaalsContact CD-CZ2 3.4Å; R235-W361 HydrophobicContact CG-CD2 3.99Å; R235-W361 HydrophobicContact CG-CE3 3.8Å; R235-W361 HydrophobicContact CG-CH2 3.55Å; R235-W361 HydrophobicContact CG-CZ2 3.74Å; R235-W361 HydrophobicContact CG-CZ3 3.58Å |
| 236 | G | 94.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.6 | -44.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L232 L233 T238 L239 A242 S320 | L232-G236 PolarHBondContact O-N 2.95Å; L233-G236 PolarHBondContact O-N 3.42Å; G236-T238 VanDerWaalsContact C-N 3.29Å; G236-T238 PolarHBondContact O-N 2.96Å; G236-L239 PolarHBondContact O-N 2.83Å; G236-A242 WeakPolarHBondContact O-CB 3.43Å; G236-S320 WeakPolarHBondContact CA-OG 3.44Å |
| 237 | A | 95 | Very high | 94.4 | Very high | 57 Ų | 57 | 50.3 Ų | 50.3 | 47% | 0.471 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.8 | -22.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L233 R235 | L233-A237 VanDerWaalsContact O-CB 3.29Å; L233-A237 WeakPolarHBondContact O-CB 3.41Å; L233-A237 PolarHBondContact O-N 3.41Å; R235-A237 VanDerWaalsContact C-N 3.3Å; R235-A237 PolarHBondContact O-N 2.98Å |
| 238 | T | 95.4 | Very high | 94.3 | Very high | 96 Ų | 96 | 49 Ų | 49 | 59% | 0.589 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -91.8 | -5 | 178.5 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | I234 R235 G236 | I234-T238 VanDerWaalsContact O-CG2 3.32Å; I234-T238 WeakPolarHBondContact O-CG2 3.19Å; I234-T238 PolarHBondContact O-N 3.31Å; I234-T238 PolarHBondContact O-OG1 3.37Å; R235-T238 PolarHBondContact O-N 3.32Å; R235-T238 VanDerWaalsContact O-N 3.11Å; R235-T238 PolarHBondContact O-OG1 3.05Å; G236-T238 VanDerWaalsContact C-N 3.29Å; G236-T238 PolarHBondContact O-N 2.96Å |
| 239 | L | 94.9 | Very high | 94.3 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -74.5 | 152 | 175.4 | -68.4 | 168.4 | 0 | 0 | 0 | 111.3 | R235 G236 A242 I321 H324 M355 | R235-L239 VanDerWaalsContact CZ-CD2 3.48Å; R235-L239 WeakPolarHBondContact O-CG 3.36Å; R235-L239 PolarHBondContact O-N 3.35Å; G236-L239 PolarHBondContact O-N 2.83Å; L239-A242 VanDerWaalsContact O-CB 3.3Å; L239-A242 WeakPolarHBondContact O-CB 3.22Å; L239-A242 PolarHBondContact O-N 2.96Å; L239-I321 HydrophobicContact CD1-CG1 4.37Å; L239-H324 HydrophobicContact CB-CB 3.77Å; L239-H324 HydrophobicContact CD1-CB 3.89Å; L239-H324 HydrophobicContact CG-CB 4.39Å; L239-M355 HydrophobicContact CD1-CE 3.48Å; L239-M355 VanDerWaalsContact CD1-CE 3.48Å; L239-M355 HydrophobicContact CD1-CG 4.42Å; L239-M355 HydrophobicContact CD1-SD 3.88Å; L239-M355 HydrophobicContact CD2-CG 4.14Å; L239-M355 HydrophobicContact CD2-SD 4.3Å |
| 240 | S | 94.5 | Very high | 94.3 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 46% | 0.462 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 146.2 | 168.7 | 72.1 | 0 | 0 | 0 | 0 | 109.5 | A242 H324 E327 | S240-A242 PolarHBondContact O-N 3.46Å; S240-H324 WeakPolarHBondContact O-CA 3.08Å; S240-H324 VanDerWaalsContact O-CB 3.26Å; S240-H324 WeakPolarHBondContact O-CB 3.5Å; S240-H324 PolarHBondContact O-ND1 3.23Å; S240-H324 PolarHBondContact OG-ND1 3.46Å; S240-E327 WeakPolarHBondContact CA-OE2 3.49Å; S240-E327 WeakPolarHBondContact CB-OE2 3.36Å; S240-E327 PolarHBondContact OG-OE2 3.31Å |
| 241 | G | 93.1 | Very high | 94.2 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | -5.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L243 T244 G323 E327 | G241-L243 PolarHBondContact O-N 3.41Å; G241-L243 VanDerWaalsContact O-N 3.15Å; G241-T244 VanDerWaalsContact O-CB 3.26Å; G241-T244 WeakPolarHBondContact O-CB 3.47Å; G241-T244 PolarHBondContact O-N 2.71Å; G241-G323 CarbonylContact O-C 3.25Å; G241-G323 VanDerWaalsContact O-C 3.25Å; G241-G323 WeakPolarHBondContact O-CA 3.36Å; G241-E327 WeakPolarHBondContact CA-OE2 3.48Å; G241-E327 PolarHBondContact N-OE2 3.27Å |
| 242 | A | 94.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -53.7 | -38.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G236 L239 S240 T244 G245 I246 S320 | G236-A242 WeakPolarHBondContact O-CB 3.43Å; L239-A242 VanDerWaalsContact O-CB 3.3Å; L239-A242 WeakPolarHBondContact O-CB 3.22Å; L239-A242 PolarHBondContact O-N 2.96Å; S240-A242 PolarHBondContact O-N 3.46Å; A242-T244 VanDerWaalsContact C-N 3.26Å; A242-T244 PolarHBondContact O-N 2.85Å; A242-G245 PolarHBondContact O-N 3.32Å; A242-I246 WeakPolarHBondContact O-CG1 3.25Å; A242-I246 PolarHBondContact O-N 3.43Å; A242-S320 WeakPolarHBondContact CA-O 3.45Å |
| 243 | L | 95 | Very high | 93.6 | Very high | 108 Ų | 108 | 54.8 Ų | 54.8 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.5 | -32.3 | 178.1 | -173.2 | 63.8 | 0 | 0 | 0 | 112.5 | G241 I246 K247 | G241-L243 PolarHBondContact O-N 3.41Å; G241-L243 VanDerWaalsContact O-N 3.15Å; L243-I246 PolarHBondContact O-N 2.85Å; L243-K247 HydrophobicContact CG-CD 4.3Å; L243-K247 HydrophobicContact CG-CG 4.42Å; L243-K247 WeakPolarHBondContact O-CB 2.65Å; L243-K247 VanDerWaalsContact O-CG 3.23Å; L243-K247 WeakPolarHBondContact O-CG 3.23Å; L243-K247 PolarHBondContact O-N 3.47Å |
| 244 | T | 93.8 | Very high | 93 | Very high | 73 Ų | 73 | 58.5 Ų | 58.5 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 177.2 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | G241 A242 K247 V248 V333 | G241-T244 VanDerWaalsContact O-CB 3.26Å; G241-T244 WeakPolarHBondContact O-CB 3.47Å; G241-T244 PolarHBondContact O-N 2.71Å; A242-T244 VanDerWaalsContact C-N 3.26Å; A242-T244 PolarHBondContact O-N 2.85Å; T244-K247 PolarHBondContact O-N 3.49Å; T244-V248 WeakPolarHBondContact O-CG2 3.39Å; T244-V248 PolarHBondContact O-N 3.43Å; T244-V248 VanDerWaalsContact O-N 3.12Å; T244-V333 HydrophobicContact CG2-CG2 4.31Å |
| 245 | G | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | A242 K247 V248 Y249 F319 | A242-G245 PolarHBondContact O-N 3.32Å; G245-K247 VanDerWaalsContact C-N 3.3Å; G245-K247 PolarHBondContact O-N 3.28Å; G245-V248 PolarHBondContact O-N 2.96Å; G245-V248 VanDerWaalsContact O-N 3.14Å; G245-Y249 PolarHBondContact O-N 3.46Å; G245-F319 VanDerWaalsContact CA-O 3.27Å; G245-F319 WeakPolarHBondContact CA-O 3.47Å; G245-F319 WeakPolarHBondContact O-CD1 3.47Å |
| 246 | I | 94.8 | Very high | 91.5 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 19% | 0.185 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 174.8 | -65.4 | 169.2 | 0 | 0 | 0 | 111.3 | A242 L243 Y249 L250 F316 | A242-I246 WeakPolarHBondContact O-CG1 3.25Å; A242-I246 PolarHBondContact O-N 3.43Å; L243-I246 PolarHBondContact O-N 2.85Å; I246-Y249 WeakPolarHBondContact O-CB 3.47Å; I246-Y249 PolarHBondContact O-N 3.38Å; I246-L250 HydrophobicContact CG2-CD1 4.07Å; I246-L250 HydrophobicContact CG2-CG 4.49Å; I246-L250 PolarHBondContact O-N 3.47Å; I246-F316 HydrophobicContact CG1-CD1 4.5Å; I246-F316 HydrophobicContact CG2-CD1 4.22Å; I246-F316 HydrophobicContact CG2-CE1 4.07Å |
| 247 | K | 94.1 | Very high | 90.5 | Very high | 124 Ų | 124 | 61.2 Ų | 61.2 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 173 | -79.8 | 173.5 | 177.6 | 178.6 | 0 | 111.1 | L243 T244 G245 Y249 L250 T251 | L243-K247 HydrophobicContact CG-CD 4.3Å; L243-K247 HydrophobicContact CG-CG 4.42Å; L243-K247 WeakPolarHBondContact O-CB 2.65Å; L243-K247 VanDerWaalsContact O-CG 3.23Å; L243-K247 WeakPolarHBondContact O-CG 3.23Å; L243-K247 PolarHBondContact O-N 3.47Å; T244-K247 PolarHBondContact O-N 3.49Å; G245-K247 VanDerWaalsContact C-N 3.3Å; G245-K247 PolarHBondContact O-N 3.28Å; K247-Y249 VanDerWaalsContact C-N 3.3Å; K247-Y249 PolarHBondContact O-N 2.94Å; K247-L250 PolarHBondContact O-N 3.35Å; K247-T251 WeakPolarHBondContact O-CB 3.39Å; K247-T251 PolarHBondContact O-N 2.86Å; K247-T251 PolarHBondContact O-OG1 3.44Å |
| 248 | V | 91.7 | Very high | 89.2 | Confident | 50 Ų | 50 | 65.3 Ų | 65.3 | 30% | 0.303 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 176.5 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | Y44 T244 G245 F319 V333 | Y44-V248 HydrophobicContact CD2-CG1 4.06Å; Y44-V248 HydrophobicContact CE2-CG1 4.24Å; T244-V248 WeakPolarHBondContact O-CG2 3.39Å; T244-V248 PolarHBondContact O-N 3.43Å; T244-V248 VanDerWaalsContact O-N 3.12Å; G245-V248 PolarHBondContact O-N 2.96Å; G245-V248 VanDerWaalsContact O-N 3.14Å; V248-F319 HydrophobicContact CG1-CE1 4.15Å; V248-V333 HydrophobicContact CB-CG1 4.5Å; V248-V333 HydrophobicContact CG1-CB 4.48Å; V248-V333 HydrophobicContact CG1-CG1 4.2Å; V248-V333 HydrophobicContact CG2-CB 4.14Å; V248-V333 HydrophobicContact CG2-CG2 4.1Å |
| 249 | Y | 93.7 | Very high | 87.9 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 176.6 | 178.6 | -127.3 | 0 | 0 | 0 | 113 | F39 C43 G48 G49 G245 I246 K247 L312 F316 F319 | F39-Y249 HydrophobicContact CE1-CE2 4.21Å; F39-Y249 WeakPolarHBondContact CE1-OH 3.28Å; C43-Y249 HydrophobicContact CB-CD2 4.4Å; C43-Y249 HydrophobicContact CB-CE2 4.14Å; C43-Y249 VanDerWaalsContact SG-CD2 3.58Å; C43-Y249 WeakPolarHBondContact SG-CE2 3.17Å; G48-Y249 CarbonylContact C-O 3.55Å; G48-Y249 WeakPolarHBondContact CA-O 3.46Å; G49-Y249 PolarHBondContact N-O 2.85Å; G245-Y249 PolarHBondContact O-N 3.46Å; I246-Y249 WeakPolarHBondContact O-CB 3.47Å; I246-Y249 PolarHBondContact O-N 3.38Å; K247-Y249 VanDerWaalsContact C-N 3.3Å; K247-Y249 PolarHBondContact O-N 2.94Å; Y249-L312 PolarHBondContact OH-O 3.27Å; Y249-F316 HydrophobicContact CD1-CD1 4.01Å; Y249-F316 AromaticContact CD1-CE1 3.97Å; Y249-F316 HydrophobicContact CD1-CE1 3.97Å; Y249-F316 HydrophobicContact CD1-CG 4.36Å; Y249-F316 HydrophobicContact CD1-CZ 4.27Å; Y249-F316 HydrophobicContact CE1-CD1 4.04Å; Y249-F316 AromaticContact CE1-CD2 3.88Å; Y249-F316 HydrophobicContact CE1-CD2 3.88Å; Y249-F316 AromaticContact CE1-CE1 3.98Å; Y249-F316 HydrophobicContact CE1-CE1 3.98Å; Y249-F316 AromaticContact CE1-CE2 3.81Å; Y249-F316 HydrophobicContact CE1-CE2 3.81Å; Y249-F316 AromaticContact CE1-CG 3.99Å; Y249-F316 HydrophobicContact CE1-CG 3.99Å; Y249-F316 AromaticContact CE1-CZ 3.86Å; Y249-F316 HydrophobicContact CE1-CZ 3.86Å; Y249-F319 AromaticContact CD2-CD2 3.5Å; Y249-F319 HydrophobicContact CD2-CD2 3.5Å; Y249-F319 VanDerWaalsContact CD2-CD2 3.5Å; Y249-F319 AromaticContact CD2-CE2 3.36Å; Y249-F319 HydrophobicContact CD2-CE2 3.36Å; Y249-F319 HydrophobicContact CD2-CG 4.11Å; Y249-F319 AromaticContact CD2-CZ 3.87Å; Y249-F319 HydrophobicContact CD2-CZ 3.87Å; Y249-F319 HydrophobicContact CE2-CD2 4.23Å; Y249-F319 HydrophobicContact CE2-CE2 4.04Å; Y249-F319 HydrophobicContact CG-CB 4.37Å; Y249-F319 AromaticContact CG-CD2 3.86Å; Y249-F319 HydrophobicContact CG-CD2 3.86Å; Y249-F319 HydrophobicContact CG-CE2 4.13Å; Y249-F319 HydrophobicContact CG-CG 4.05Å |
| 250 | L | 93.8 | Very high | 86.2 | Confident | 81 Ų | 81 | 64.4 Ų | 64.4 | 42% | 0.424 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -95.4 | -20.1 | -173.4 | -64.8 | -179.5 | 0 | 0 | 0 | 114.5 | L52 I246 K247 P252 F316 | L52-L250 HydrophobicContact CD1-CD2 4.45Å; I246-L250 HydrophobicContact CG2-CD1 4.07Å; I246-L250 HydrophobicContact CG2-CG 4.49Å; I246-L250 PolarHBondContact O-N 3.47Å; K247-L250 PolarHBondContact O-N 3.35Å; L250-P252 VanDerWaalsContact O-CD 3.24Å; L250-P252 WeakPolarHBondContact O-CD 3.2Å; L250-F316 HydrophobicContact CD1-CE1 4.03Å; L250-F316 HydrophobicContact CD1-CZ 4.31Å; L250-F316 HydrophobicContact CD2-CE1 4.26Å; L250-F316 HydrophobicContact CD2-CZ 4.01Å; L250-F316 HydrophobicContact CG-CE1 4.32Å |
| 251 | T | 91.7 | Very high | 84.6 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 53% | 0.534 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -70.4 | 116.2 | -177.7 | -60.2 | 0 | 0 | 0 | 0 | 109.7 | G49 K247 N253 | G49-T251 PolarHBondContact N-O 3.46Å; K247-T251 WeakPolarHBondContact O-CB 3.39Å; K247-T251 PolarHBondContact O-N 2.86Å; K247-T251 PolarHBondContact O-OG1 3.44Å; T251-N253 PolarHBondContact O-N 3.48Å |
| 252 | P | 88.7 | Confident | 83 | Confident | 79 Ų | 79 | 61.9 Ų | 61.9 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | trans | -78 | 121.9 | -178.3 | 30.7 | -32.3 | 0 | 0 | 0 | 110.7 | A50 L250 | A50-P252 HydrophobicContact CB-CB 4.04Å; L250-P252 VanDerWaalsContact O-CD 3.24Å; L250-P252 WeakPolarHBondContact O-CD 3.2Å | ||
| 253 | N | 86.3 | Confident | 80.9 | Confident | 72 Ų | 72 | 65.6 Ų | 65.6 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | trans | -99.2 | 90.9 | 167.8 | -171.5 | -23.1 | 0 | 0 | 0 | 109.8 | G47 T251 S255 K256 | G47-N253 PolarHBondContact O-N 2.94Å; T251-N253 PolarHBondContact O-N 3.48Å; N253-S255 PolarHBondContact O-N 3.47Å; N253-S255 WeakPolarHBondContact OD1-CB 3.3Å; N253-S255 PolarHBondContact OD1-N 2.87Å; N253-K256 PolarHBondContact O-N 3.42Å; N253-K256 VanDerWaalsContact O-N 3.08Å | ||
| 254 | I | 82.3 | Confident | 79 | Confident | 118 Ų | 118 | 62.9 Ų | 62.9 | 61% | 0.605 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.8 | -30.7 | -175.7 | -57.7 | 175.4 | 0 | 0 | 0 | 111.5 | K256 L257 | I254-K256 PolarHBondContact O-N 3.35Å; I254-L257 WeakPolarHBondContact O-CB 3.46Å; I254-L257 PolarHBondContact O-N 3.38Å |
| 255 | S | 82.8 | Confident | 77.3 | Confident | 87 Ų | 87 | 61.3 Ų | 61.3 | 61% | 0.608 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.5 | -28.9 | 177.6 | -50 | 0 | 0 | 0 | 0 | 112.4 | N253 Q258 | N253-S255 PolarHBondContact O-N 3.47Å; N253-S255 WeakPolarHBondContact OD1-CB 3.3Å; N253-S255 PolarHBondContact OD1-N 2.87Å; S255-Q258 WeakPolarHBondContact O-CB 3.35Å; S255-Q258 PolarHBondContact O-N 3.33Å |
| 256 | K | 76.8 | Confident | 76.3 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 34% | 0.335 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -76.1 | -21.5 | 174.4 | -75.7 | -164.8 | 166.8 | -167.4 | 0 | 113.7 | K45 N253 I254 Q258 D259 | K45-K256 WeakPolarHBondContact O-CD 3.44Å; K45-K256 PolarHBondContact O-NZ 2.94Å; N253-K256 PolarHBondContact O-N 3.42Å; N253-K256 VanDerWaalsContact O-N 3.08Å; I254-K256 PolarHBondContact O-N 3.35Å; K256-Q258 PolarHBondContact O-N 2.85Å; K256-D259 WeakPolarHBondContact O-CB 3.46Å; K256-D259 PolarHBondContact O-N 2.96Å |
| 257 | L | 73.5 | Confident | 75.7 | Confident | 39 Ų | 39 | 62 Ų | 62 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65 | -32 | 172.2 | -65.1 | 179.1 | 0 | 0 | 0 | 110.9 | A50 P54 I254 D259 V262 I263 | A50-L257 HydrophobicContact CB-CD1 3.9Å; A50-L257 HydrophobicContact CB-CD2 3.85Å; A50-L257 HydrophobicContact CB-CG 3.75Å; P54-L257 HydrophobicContact CG-CD2 4.46Å; I254-L257 WeakPolarHBondContact O-CB 3.46Å; I254-L257 PolarHBondContact O-N 3.38Å; L257-D259 PolarHBondContact O-N 3.32Å; L257-V262 HydrophobicContact CD2-CG1 3.58Å; L257-I263 HydrophobicContact CB-CG1 4.41Å; L257-I263 WeakPolarHBondContact O-CB 3.34Å; L257-I263 WeakPolarHBondContact O-CD1 3.31Å; L257-I263 WeakPolarHBondContact O-CG1 3.41Å; L257-I263 PolarHBondContact O-N 2.98Å |
| 258 | Q | 67.7 | Low | 75.4 | Confident | 142 Ų | 142 | 56.1 Ų | 56.1 | 66% | 0.664 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -16.9 | 177.2 | -63.3 | -176.4 | -24.6 | 0 | 0 | 113.9 | S255 K256 I263 | S255-Q258 WeakPolarHBondContact O-CB 3.35Å; S255-Q258 PolarHBondContact O-N 3.33Å; K256-Q258 PolarHBondContact O-N 2.85Å; Q258-I263 VanDerWaalsContact CA-CD1 3.49Å |
| 259 | D | 69.1 | Low | 75.1 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -71.3 | 130.2 | 171.1 | -156.5 | -6.3 | 0 | 0 | 0 | 110.2 | K256 L257 S261 V262 I263 | K256-D259 WeakPolarHBondContact O-CB 3.46Å; K256-D259 PolarHBondContact O-N 2.96Å; L257-D259 PolarHBondContact O-N 3.32Å; D259-S261 PolarHBondContact O-N 3.4Å; D259-V262 WeakPolarHBondContact O-CA 3.27Å; D259-V262 WeakPolarHBondContact O-CB 3.34Å; D259-V262 PolarHBondContact O-N 3.13Å; D259-I263 PolarHBondContact O-N 3.04Å |
| 260 | I | 59.5 | Low | 74.7 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 7% | 0.067 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -78.6 | -13.6 | -167.8 | -87.8 | 170.4 | 0 | 0 | 0 | 113.3 | V262 I263 F264 Y484 W487 | I260-V262 PolarHBondContact O-N 2.72Å; I260-I263 HydrophobicContact CG1-CG2 4.11Å; I260-F264 HydrophobicContact CB-CD2 4.37Å; I260-F264 HydrophobicContact CD1-CD2 4.14Å; I260-F264 HydrophobicContact CD1-CE2 3.9Å; I260-F264 HydrophobicContact CG1-CD2 3.81Å; I260-F264 HydrophobicContact CG1-CE2 4Å; I260-F264 HydrophobicContact CG2-CD2 3.94Å; I260-Y484 HydrophobicContact CG2-CD2 3.27Å; I260-Y484 HydrophobicContact CG2-CE2 3.68Å; I260-Y484 HydrophobicContact CG2-CG 4.26Å; I260-W487 HydrophobicContact CB-CD2 3.84Å; I260-W487 HydrophobicContact CB-CE3 3.62Å; I260-W487 HydrophobicContact CB-CH2 3.57Å; I260-W487 HydrophobicContact CB-CZ2 3.81Å; I260-W487 HydrophobicContact CB-CZ3 3.5Å; I260-W487 VanDerWaalsContact CB-CZ3 3.5Å; I260-W487 HydrophobicContact CD1-CB 4.09Å; I260-W487 HydrophobicContact CD1-CD2 3.21Å; I260-W487 HydrophobicContact CD1-CE3 3.96Å; I260-W487 HydrophobicContact CD1-CG 3.26Å; I260-W487 HydrophobicContact CD1-CH2 4.23Å; I260-W487 HydrophobicContact CD1-CZ2 3.56Å; I260-W487 HydrophobicContact CD1-CZ3 4.43Å; I260-W487 HydrophobicContact CG1-CD2 4.04Å; I260-W487 HydrophobicContact CG1-CE3 4.33Å; I260-W487 HydrophobicContact CG1-CG 4.41Å; I260-W487 HydrophobicContact CG1-CH2 4.28Å; I260-W487 HydrophobicContact CG1-CZ2 4Å; I260-W487 HydrophobicContact CG1-CZ3 4.47Å; I260-W487 HydrophobicContact CG2-CD2 3.69Å; I260-W487 HydrophobicContact CG2-CE3 3.23Å; I260-W487 HydrophobicContact CG2-CG 4.26Å; I260-W487 HydrophobicContact CG2-CH2 4.11Å; I260-W487 HydrophobicContact CG2-CZ3 3.49Å; I260-W487 VanDerWaalsContact CG2-CZ3 3.49Å |
| 261 | S | 60.9 | Low | 74.5 | Confident | 26 Ų | 26 | 50 Ų | 50 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.2 | -28.7 | 160 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | D259 D267 | D259-S261 PolarHBondContact O-N 3.4Å; S261-D267 PolarHBondContact O-N 3.18Å |
| 262 | V | 58.2 | Low | 74.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -103.8 | -50.9 | -177.5 | -164.7 | 0 | 0 | 0 | 0 | 112.5 | H46 F51 P54 L257 D259 I260 F264 T265 | H46-V262 HydrophobicContact CB-CG1 4.14Å; H46-V262 HydrophobicContact CB-CG2 3.62Å; H46-V262 WeakPolarHBondContact ND1-CG2 3.46Å; F51-V262 HydrophobicContact CD2-CG1 4.29Å; P54-V262 HydrophobicContact CG-CG1 4.18Å; L257-V262 HydrophobicContact CD2-CG1 3.58Å; D259-V262 WeakPolarHBondContact O-CA 3.27Å; D259-V262 WeakPolarHBondContact O-CB 3.34Å; D259-V262 PolarHBondContact O-N 3.13Å; I260-V262 PolarHBondContact O-N 2.72Å; V262-F264 VanDerWaalsContact C-N 3.27Å; V262-F264 PolarHBondContact O-N 3.38Å; V262-T265 PolarHBondContact O-N 3.41Å |
| 263 | I | 51.9 | Low | 74.5 | Confident | 83 Ų | 83 | 42.2 Ų | 42.2 | 43% | 0.426 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.2 | -34.4 | -172.6 | -112.1 | 167.4 | 0 | 0 | 0 | 112.5 | L257 Q258 D259 I260 | L257-I263 HydrophobicContact CB-CG1 4.41Å; L257-I263 WeakPolarHBondContact O-CB 3.34Å; L257-I263 WeakPolarHBondContact O-CD1 3.31Å; L257-I263 WeakPolarHBondContact O-CG1 3.41Å; L257-I263 PolarHBondContact O-N 2.98Å; Q258-I263 VanDerWaalsContact CA-CD1 3.49Å; D259-I263 PolarHBondContact O-N 3.04Å; I260-I263 HydrophobicContact CG1-CG2 4.11Å |
| 264 | F | 53.8 | Low | 74.5 | Confident | 51 Ų | 51 | 39.3 Ų | 39.3 | 22% | 0.224 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 28.9 | 175.2 | -70.2 | -66.6 | 0 | 0 | 0 | 112.9 | I260 V262 I266 P480 I483 | I260-F264 HydrophobicContact CB-CD2 4.37Å; I260-F264 HydrophobicContact CD1-CD2 4.14Å; I260-F264 HydrophobicContact CD1-CE2 3.9Å; I260-F264 HydrophobicContact CG1-CD2 3.81Å; I260-F264 HydrophobicContact CG1-CE2 4Å; I260-F264 HydrophobicContact CG2-CD2 3.94Å; V262-F264 VanDerWaalsContact C-N 3.27Å; V262-F264 PolarHBondContact O-N 3.38Å; F264-I266 PolarHBondContact O-N 2.88Å; F264-P480 HydrophobicContact CB-CB 3.99Å; F264-P480 HydrophobicContact CD1-CB 4.39Å; F264-P480 WeakPolarHBondContact O-CB 3.04Å; F264-I483 HydrophobicContact CD1-CB 3.96Å; F264-I483 HydrophobicContact CD1-CD1 4.04Å; F264-I483 HydrophobicContact CD1-CG2 3.84Å; F264-I483 HydrophobicContact CD2-CG2 3.89Å; F264-I483 HydrophobicContact CE1-CB 3.85Å; F264-I483 HydrophobicContact CE1-CD1 3.59Å; F264-I483 HydrophobicContact CE1-CG1 4.3Å; F264-I483 HydrophobicContact CE1-CG2 3.34Å; F264-I483 HydrophobicContact CE2-CB 4.46Å; F264-I483 HydrophobicContact CE2-CG2 3.41Å; F264-I483 VanDerWaalsContact CE2-CG2 3.41Å; F264-I483 HydrophobicContact CG-CB 4.35Å; F264-I483 HydrophobicContact CG-CG2 4.12Å; F264-I483 HydrophobicContact CZ-CB 4.14Å; F264-I483 HydrophobicContact CZ-CD1 4.4Å; F264-I483 HydrophobicContact CZ-CG2 3.13Å |
| 265 | T | 59.2 | Low | 74.8 | Confident | 40 Ų | 40 | 33.9 Ų | 33.9 | 25% | 0.245 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 68.1 | 12.7 | 155.5 | -19.9 | 0 | 0 | 0 | 0 | 115.5 | S58 V262 A268 G269 | S58-T265 WeakPolarHBondContact OG-CG2 3.1Å; V262-T265 PolarHBondContact O-N 3.41Å; T265-A268 HydrophobicContact CG2-CB 4.31Å; T265-G269 VanDerWaalsContact O-CA 3.24Å; T265-G269 WeakPolarHBondContact O-CA 3.3Å; T265-G269 PolarHBondContact O-N 2.91Å |
| 266 | I | 71.7 | Confident | 75.1 | Confident | 21 Ų | 21 | 29.8 Ų | 29.8 | 11% | 0.108 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.6 | -58.6 | -179.9 | -62 | -179.6 | 0 | 0 | 0 | 109.9 | F264 A268 G269 T270 M427 Y484 | F264-I266 PolarHBondContact O-N 2.88Å; I266-A268 VanDerWaalsContact C-N 3.32Å; I266-A268 PolarHBondContact O-N 3.12Å; I266-G269 PolarHBondContact O-N 3.39Å; I266-T270 HydrophobicContact CG2-CG2 4.11Å; I266-T270 VanDerWaalsContact O-CB 3.24Å; I266-T270 WeakPolarHBondContact O-CB 3.48Å; I266-T270 WeakPolarHBondContact O-CG2 3.48Å; I266-T270 PolarHBondContact O-N 3.39Å; I266-T270 PolarHBondContact O-OG1 2.89Å; I266-M427 HydrophobicContact CG2-SD 3.61Å; I266-Y484 HydrophobicContact CD1-CD1 3.82Å; I266-Y484 HydrophobicContact CD1-CD2 3.36Å; I266-Y484 HydrophobicContact CD1-CE1 4.16Å; I266-Y484 HydrophobicContact CD1-CE2 3.76Å; I266-Y484 HydrophobicContact CD1-CG 3.42Å; I266-Y484 VanDerWaalsContact CD1-CG 3.42Å; I266-Y484 HydrophobicContact CG1-CD2 4.47Å |
| 267 | D | 82.8 | Confident | 75.6 | Confident | 31 Ų | 31 | 26.3 Ų | 26.3 | 17% | 0.166 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.4 | -31.7 | -176.2 | -81 | -9 | 0 | 0 | 0 | 112.5 | L42 H46 S261 T270 Q271 | L42-D267 HydrophobicContact CD2-CB 4.28Å; H46-D267 IonicContact CD2-OD2 2.81Å; H46-D267 IonicContact CE1-OD2 2.68Å; H46-D267 PolarHBondContact CE1-OD2 3.16Å; H46-D267 WeakPolarHBondContact NE2-CB 3.31Å; H46-D267 IonicContact NE2-OD2 3.35Å; H46-D267 PolarHBondContact NE2-OD2 3.07Å; S261-D267 PolarHBondContact O-N 3.18Å; D267-T270 VanDerWaalsContact CA-OG1 3.31Å; D267-T270 WeakPolarHBondContact CA-OG1 3.47Å; D267-T270 PolarHBondContact O-OG1 3.19Å; D267-T270 VanDerWaalsContact O-OG1 3.11Å; D267-Q271 WeakPolarHBondContact O-CB 3.49Å; D267-Q271 PolarHBondContact O-N 2.69Å; D267-Q271 VanDerWaalsContact O-N 3.08Å |
| 268 | A | 87.3 | Confident | 76.3 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.2 | -47.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F51 P54 T265 I266 Q271 V272 | F51-A268 HydrophobicContact CE2-CB 3.87Å; F51-A268 HydrophobicContact CZ-CB 4.11Å; P54-A268 HydrophobicContact CB-CB 4.02Å; P54-A268 HydrophobicContact CG-CB 4.48Å; T265-A268 HydrophobicContact CG2-CB 4.31Å; I266-A268 VanDerWaalsContact C-N 3.32Å; I266-A268 PolarHBondContact O-N 3.12Å; A268-Q271 PolarHBondContact O-N 3.06Å; A268-V272 PolarHBondContact O-N 3.07Å; A268-V272 VanDerWaalsContact O-N 3.09Å |
| 269 | G | 86.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.5 | -46.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T265 I266 Q271 V272 F273 | T265-G269 VanDerWaalsContact O-CA 3.24Å; T265-G269 WeakPolarHBondContact O-CA 3.3Å; T265-G269 PolarHBondContact O-N 2.91Å; I266-G269 PolarHBondContact O-N 3.39Å; G269-Q271 VanDerWaalsContact C-N 3.31Å; G269-Q271 PolarHBondContact O-N 2.88Å; G269-V272 WeakPolarHBondContact O-CG2 3.32Å; G269-V272 PolarHBondContact O-N 3.2Å; G269-F273 WeakPolarHBondContact O-CD2 3.43Å; G269-F273 PolarHBondContact O-N 2.91Å; G269-F273 VanDerWaalsContact O-N 3.08Å |
| 270 | T | 84.9 | Confident | 78 | Confident | 4 Ų | 4 | 14.1 Ų | 14.1 | 3% | 0.025 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 174.6 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | I266 D267 F273 Y274 L430 | I266-T270 HydrophobicContact CG2-CG2 4.11Å; I266-T270 VanDerWaalsContact O-CB 3.24Å; I266-T270 WeakPolarHBondContact O-CB 3.48Å; I266-T270 WeakPolarHBondContact O-CG2 3.48Å; I266-T270 PolarHBondContact O-N 3.39Å; I266-T270 PolarHBondContact O-OG1 2.89Å; D267-T270 VanDerWaalsContact CA-OG1 3.31Å; D267-T270 WeakPolarHBondContact CA-OG1 3.47Å; D267-T270 PolarHBondContact O-OG1 3.19Å; D267-T270 VanDerWaalsContact O-OG1 3.11Å; T270-F273 PolarHBondContact O-N 3.23Å; T270-Y274 WeakPolarHBondContact O-CB 3.43Å; T270-Y274 PolarHBondContact O-N 3.14Å; T270-L430 HydrophobicContact CG2-CD1 3.5Å; T270-L430 VanDerWaalsContact CG2-CD1 3.5Å; T270-L430 HydrophobicContact CG2-CG 4.1Å |
| 271 | Q | 90.2 | Very high | 79.2 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 175.9 | 178.1 | 58.9 | 31 | 0 | 0 | 111.7 | G34 F39 L42 Y55 D267 A268 G269 F273 S275 | G34-Q271 PolarHBondContact O-NE2 3.21Å; G34-Q271 VanDerWaalsContact O-NE2 3.13Å; F39-Q271 HydrophobicContact CB-CG 4.48Å; F39-Q271 HydrophobicContact CD2-CG 4.35Å; L42-Q271 HydrophobicContact CD1-CB 3.79Å; L42-Q271 HydrophobicContact CD1-CG 4.1Å; Y55-Q271 HydrophobicContact CD2-CG 4.35Å; Y55-Q271 HydrophobicContact CE2-CG 3.9Å; D267-Q271 WeakPolarHBondContact O-CB 3.49Å; D267-Q271 PolarHBondContact O-N 2.69Å; D267-Q271 VanDerWaalsContact O-N 3.08Å; A268-Q271 PolarHBondContact O-N 3.06Å; G269-Q271 VanDerWaalsContact C-N 3.31Å; G269-Q271 PolarHBondContact O-N 2.88Å; Q271-F273 VanDerWaalsContact C-N 3.3Å; Q271-F273 PolarHBondContact O-N 3.36Å; Q271-S275 WeakPolarHBondContact O-CB 3.48Å; Q271-S275 PolarHBondContact O-N 3.23Å |
| 272 | V | 90.6 | Very high | 80.3 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -68.6 | -30.5 | 179.6 | -58 | 0 | 0 | 0 | 0 | 112.1 | Y55 W59 A63 A268 G269 S276 | Y55-V272 HydrophobicContact CD2-CG1 3.73Å; Y55-V272 HydrophobicContact CE2-CG1 3.58Å; W59-V272 VanDerWaalsContact CD1-CG1 3.5Å; W59-V272 HydrophobicContact CD2-CB 4.15Å; W59-V272 HydrophobicContact CD2-CG1 3.93Å; W59-V272 HydrophobicContact CG-CB 4.5Å; W59-V272 HydrophobicContact CG-CG1 3.87Å; W59-V272 HydrophobicContact CZ2-CB 4.17Å; W59-V272 HydrophobicContact CZ2-CG1 4.22Å; W59-V272 VanDerWaalsContact NE1-CG1 3.35Å; A63-V272 HydrophobicContact CB-CB 3.91Å; A63-V272 HydrophobicContact CB-CG2 3.74Å; A268-V272 PolarHBondContact O-N 3.07Å; A268-V272 VanDerWaalsContact O-N 3.09Å; G269-V272 WeakPolarHBondContact O-CG2 3.32Å; G269-V272 PolarHBondContact O-N 3.2Å; V272-S276 VanDerWaalsContact O-CB 3.27Å; V272-S276 WeakPolarHBondContact O-CB 3.41Å; V272-S276 PolarHBondContact O-N 3.35Å; V272-S276 PolarHBondContact O-OG 3.11Å |
| 273 | F | 89.1 | Confident | 81.7 | Confident | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.009 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -71.1 | -49.5 | 175.9 | -85 | -129.9 | 0 | 0 | 0 | 111 | L62 I66 G269 T270 Q271 S275 S276 G277 I278 L429 L430 A433 | L62-F273 HydrophobicContact CB-CE2 4.28Å; L62-F273 HydrophobicContact CD1-CE2 4.39Å; L62-F273 HydrophobicContact CD1-CZ 4.25Å; L62-F273 HydrophobicContact CD2-CD2 4Å; L62-F273 HydrophobicContact CD2-CE2 3.24Å; L62-F273 HydrophobicContact CD2-CZ 3.76Å; L62-F273 HydrophobicContact CG-CD2 4.48Å; L62-F273 HydrophobicContact CG-CE2 3.35Å; L62-F273 HydrophobicContact CG-CZ 3.65Å; I66-F273 HydrophobicContact CD1-CE1 4.36Å; I66-F273 HydrophobicContact CD1-CZ 3.63Å; G269-F273 WeakPolarHBondContact O-CD2 3.43Å; G269-F273 PolarHBondContact O-N 2.91Å; G269-F273 VanDerWaalsContact O-N 3.08Å; T270-F273 PolarHBondContact O-N 3.23Å; Q271-F273 VanDerWaalsContact C-N 3.3Å; Q271-F273 PolarHBondContact O-N 3.36Å; F273-S275 VanDerWaalsContact C-N 3.28Å; F273-S275 PolarHBondContact O-N 3.3Å; F273-S276 PolarHBondContact O-N 3.39Å; F273-S276 PolarHBondContact O-OG 3.16Å; F273-G277 PolarHBondContact O-N 2.98Å; F273-I278 HydrophobicContact CD1-CB 4.09Å; F273-I278 HydrophobicContact CD1-CG2 3.68Å; F273-I278 HydrophobicContact CD2-CD1 4.49Å; F273-I278 HydrophobicContact CE1-CB 4.48Å; F273-I278 HydrophobicContact CE1-CG2 3.66Å; F273-I278 HydrophobicContact CE2-CD1 4.4Å; F273-I278 HydrophobicContact CG-CB 4.31Å; F273-I278 HydrophobicContact CG-CG2 4.33Å; F273-I278 HydrophobicContact CZ-CG2 4.23Å; F273-I278 PolarHBondContact O-N 3.38Å; F273-L429 HydrophobicContact CB-CB 4.38Å; F273-L429 HydrophobicContact CB-CD1 4.43Å; F273-L429 HydrophobicContact CD1-CB 4.33Å; F273-L430 HydrophobicContact CD1-CD2 3.94Å; F273-L430 HydrophobicContact CD2-CD2 4.22Å; F273-L430 HydrophobicContact CE1-CD2 3.8Å; F273-L430 HydrophobicContact CE2-CD2 4.22Å; F273-L430 HydrophobicContact CG-CD2 4.13Å; F273-L430 HydrophobicContact CZ-CD2 3.95Å; F273-A433 HydrophobicContact CD1-CB 4.24Å; F273-A433 HydrophobicContact CE1-CB 3.45Å; F273-A433 VanDerWaalsContact CE1-CB 3.45Å; F273-A433 HydrophobicContact CZ-CB 4.36Å |
| 274 | Y | 85.3 | Confident | 83.4 | Confident | 10 Ų | 10 | 8.5 Ų | 8.5 | 4% | 0.039 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 177.2 | -174.5 | -86 | 0 | 0 | 0 | 111.3 | Y108 Y109 T270 L429 | Y108-Y274 WeakPolarHBondContact OH-CE2 3.24Å; Y108-Y274 PolarHBondContact OH-OH 3.43Å; Y109-Y274 WeakPolarHBondContact CE1-OH 3.35Å; Y109-Y274 AromaticContact CZ-CZ 3.96Å; Y109-Y274 VanDerWaalsContact CZ-OH 3.27Å; Y109-Y274 WeakPolarHBondContact OH-CE1 3.34Å; Y109-Y274 PolarHBondContact OH-OH 3.13Å; T270-Y274 WeakPolarHBondContact O-CB 3.43Å; T270-Y274 PolarHBondContact O-N 3.14Å; Y274-L429 HydrophobicContact CD2-CD1 4.49Å |
| 275 | S | 90.1 | Very high | 84.9 | Confident | 5 Ų | 5 | 6.4 Ų | 6.4 | 4% | 0.035 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -71.9 | -35.1 | 179 | -166.1 | 0 | 0 | 0 | 0 | 112.9 | N35 Q271 F273 N307 | N35-S275 PolarHBondContact ND2-OG 3.13Å; Q271-S275 WeakPolarHBondContact O-CB 3.48Å; Q271-S275 PolarHBondContact O-N 3.23Å; F273-S275 VanDerWaalsContact C-N 3.28Å; F273-S275 PolarHBondContact O-N 3.3Å; S275-N307 VanDerWaalsContact C-ND2 3.28Å; S275-N307 PolarHBondContact O-ND2 2.91Å; S275-N307 PolarHBondContact OG-ND2 3.1Å; S275-N307 PolarHBondContact OG-OD1 2.89Å |
| 276 | S | 88.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -87.6 | -16.4 | -179.4 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | V272 F273 I278 | V272-S276 VanDerWaalsContact O-CB 3.27Å; V272-S276 WeakPolarHBondContact O-CB 3.41Å; V272-S276 PolarHBondContact O-N 3.35Å; V272-S276 PolarHBondContact O-OG 3.11Å; F273-S276 PolarHBondContact O-N 3.39Å; F273-S276 PolarHBondContact O-OG 3.16Å; S276-I278 WeakPolarHBondContact OG-CD1 3.16Å; S276-I278 VanDerWaalsContact OG-CG1 3.23Å; S276-I278 WeakPolarHBondContact OG-CG1 3.39Å |
| 277 | G | 86.5 | Confident | 86.5 | Confident | 4 Ų | 4 | 4.9 Ų | 4.9 | 4% | 0.041 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 24.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F273 Y280 | F273-G277 PolarHBondContact O-N 2.98Å; G277-Y280 WeakPolarHBondContact O-CD2 3.48Å |
| 278 | I | 89.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.021 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 139.8 | 170.9 | -67.1 | 166.3 | 0 | 0 | 0 | 109.7 | A63 I66 F67 E70 F273 S276 Y280 L283 A433 | A63-I278 HydrophobicContact CB-CD1 3.96Å; A63-I278 WeakPolarHBondContact O-CD1 3.49Å; I66-I278 HydrophobicContact CB-CD1 4.38Å; I66-I278 HydrophobicContact CB-CG2 4.38Å; I66-I278 HydrophobicContact CG2-CG2 3.48Å; I66-I278 VanDerWaalsContact CG2-CG2 3.48Å; F67-I278 HydrophobicContact CB-CD1 4.02Å; F67-I278 HydrophobicContact CB-CG1 4.25Å; F67-I278 HydrophobicContact CD2-CG1 4.15Å; E70-I278 WeakPolarHBondContact OE1-CG2 3.11Å; F273-I278 HydrophobicContact CD1-CB 4.09Å; F273-I278 HydrophobicContact CD1-CG2 3.68Å; F273-I278 HydrophobicContact CD2-CD1 4.49Å; F273-I278 HydrophobicContact CE1-CB 4.48Å; F273-I278 HydrophobicContact CE1-CG2 3.66Å; F273-I278 HydrophobicContact CE2-CD1 4.4Å; F273-I278 HydrophobicContact CG-CB 4.31Å; F273-I278 HydrophobicContact CG-CG2 4.33Å; F273-I278 HydrophobicContact CZ-CG2 4.23Å; F273-I278 PolarHBondContact O-N 3.38Å; S276-I278 WeakPolarHBondContact OG-CD1 3.16Å; S276-I278 VanDerWaalsContact OG-CG1 3.23Å; S276-I278 WeakPolarHBondContact OG-CG1 3.39Å; I278-Y280 VanDerWaalsContact C-N 3.33Å; I278-L283 HydrophobicContact CG1-CD1 4.02Å; I278-A433 HydrophobicContact CG2-CB 4.33Å |
| 279 | G | 85.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | E70 N98 | E70-G279 PolarHBondContact OE1-N 3.4Å; N98-G279 PolarHBondContact OD1-O 3.43Å |
| 280 | Y | 85.5 | Confident | 85.5 | Confident | 6 Ų | 6 | 8.8 Ų | 8.8 | 2% | 0.024 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -94.1 | -12.6 | 168.7 | -66 | -77.2 | 0 | 0 | 0 | 112 | V101 C105 G277 I278 S282 K383 L429 | V101-Y280 HydrophobicContact CG1-CD1 3.85Å; V101-Y280 HydrophobicContact CG1-CE1 3.65Å; C105-Y280 HydrophobicContact CB-CD1 4.45Å; C105-Y280 HydrophobicContact CB-CE1 3.65Å; G277-Y280 WeakPolarHBondContact O-CD2 3.48Å; I278-Y280 VanDerWaalsContact C-N 3.33Å; Y280-S282 PolarHBondContact O-N 3.04Å; Y280-K383 PolarHBondContact O-NZ 3.42Å; Y280-L429 HydrophobicContact CD1-CD2 4.2Å; Y280-L429 HydrophobicContact CD2-CD2 4.15Å; Y280-L429 HydrophobicContact CE1-CD2 3.98Å; Y280-L429 HydrophobicContact CE2-CD1 3.8Å; Y280-L429 HydrophobicContact CE2-CD2 3.93Å; Y280-L429 HydrophobicContact CG-CD2 4.31Å |
| 281 | G | 85 | Confident | 85.2 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | S | Bend | trans | 63.3 | 13.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S81 A285 K383 | S81-G281 WeakPolarHBondContact CB-O 3.36Å; G281-A285 PolarHBondContact O-N 2.95Å; G281-K383 WeakPolarHBondContact O-CE 3.45Å |
| 282 | S | 84.5 | Confident | 84.5 | Confident | 4 Ų | 4 | 17.1 Ų | 17.1 | 3% | 0.028 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -74 | -38.1 | 174.2 | -52.5 | 0 | 0 | 0 | 0 | 110.7 | Y29 Y280 I284 A285 L286 L380 | Y29-S282 VanDerWaalsContact OH-CB 3.24Å; Y29-S282 WeakPolarHBondContact OH-CB 3.26Å; Y29-S282 PolarHBondContact OH-OG 3.41Å; Y29-S282 VanDerWaalsContact OH-OG 3.11Å; Y280-S282 PolarHBondContact O-N 3.04Å; S282-I284 VanDerWaalsContact C-N 3.35Å; S282-I284 PolarHBondContact O-N 3.29Å; S282-A285 CarbonylContact O-C 3.33Å; S282-A285 WeakPolarHBondContact O-CB 3.29Å; S282-A285 PolarHBondContact O-N 3.3Å; S282-A285 VanDerWaalsContact O-N 3.11Å; S282-L286 WeakPolarHBondContact O-CG 3.42Å; S282-L286 PolarHBondContact O-N 3.47Å; S282-L380 VanDerWaalsContact OG-CD2 3.32Å; S282-L380 WeakPolarHBondContact OG-CD2 3.18Å |
| 283 | L | 87.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 177.2 | -58.8 | 176.3 | 0 | 0 | 0 | 111.3 | L26 Y29 F67 E70 V71 I278 A285 L286 G287 | L26-L283 HydrophobicContact CD2-CD2 4.39Å; Y29-L283 HydrophobicContact CD1-CD2 3.54Å; Y29-L283 HydrophobicContact CE1-CD2 3.51Å; Y29-L283 HydrophobicContact CE1-CG 4.01Å; F67-L283 HydrophobicContact CD2-CD1 3.32Å; F67-L283 HydrophobicContact CD2-CD2 4.26Å; F67-L283 HydrophobicContact CD2-CG 4.39Å; F67-L283 HydrophobicContact CE2-CD1 3.29Å; F67-L283 HydrophobicContact CE2-CD2 3.32Å; F67-L283 HydrophobicContact CE2-CG 3.9Å; F67-L283 HydrophobicContact CG-CD1 4.23Å; F67-L283 HydrophobicContact CZ-CD1 4.21Å; F67-L283 HydrophobicContact CZ-CD2 3.68Å; E70-L283 HydrophobicContact CB-CB 4.02Å; E70-L283 HydrophobicContact CB-CD1 4.44Å; E70-L283 WeakPolarHBondContact OE2-CB 3.33Å; V71-L283 HydrophobicContact CG2-CB 3.94Å; I278-L283 HydrophobicContact CG1-CD1 4.02Å; L283-A285 VanDerWaalsContact C-N 3.31Å; L283-A285 PolarHBondContact O-N 2.86Å; L283-L286 PolarHBondContact O-N 2.84Å; L283-G287 PolarHBondContact O-N 3.41Å |
| 284 | I | 87.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 172.2 | -54.4 | 172.1 | 0 | 0 | 0 | 110.7 | E70 G74 I84 S282 G287 S288 E436 | E70-I284 HydrophobicContact CB-CG1 3.83Å; E70-I284 HydrophobicContact CG-CD1 4.16Å; E70-I284 HydrophobicContact CG-CG1 3.91Å; G74-I284 VanDerWaalsContact CA-O 3.27Å; G74-I284 WeakPolarHBondContact CA-O 3.07Å; I84-I284 HydrophobicContact CD1-CD1 3.43Å; I84-I284 VanDerWaalsContact CD1-CD1 3.43Å; I84-I284 HydrophobicContact CD1-CG1 4.36Å; I84-I284 HydrophobicContact CD1-CG2 3.8Å; I84-I284 HydrophobicContact CG2-CG2 3.53Å; S282-I284 VanDerWaalsContact C-N 3.35Å; S282-I284 PolarHBondContact O-N 3.29Å; I284-G287 PolarHBondContact O-N 2.74Å; I284-S288 WeakPolarHBondContact O-CB 3.06Å; I284-S288 PolarHBondContact O-N 2.75Å; I284-E436 VanDerWaalsContact CD1-OE1 3.26Å; I284-E436 WeakPolarHBondContact CD1-OE1 3.5Å |
| 285 | A | 83.8 | Confident | 83.3 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 6% | 0.058 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.2 | -42.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G281 S282 L283 S288 H289 K383 | G281-A285 PolarHBondContact O-N 2.95Å; S282-A285 CarbonylContact O-C 3.33Å; S282-A285 WeakPolarHBondContact O-CB 3.29Å; S282-A285 PolarHBondContact O-N 3.3Å; S282-A285 VanDerWaalsContact O-N 3.11Å; L283-A285 VanDerWaalsContact C-N 3.31Å; L283-A285 PolarHBondContact O-N 2.86Å; A285-S288 WeakPolarHBondContact O-CB 3.5Å; A285-S288 PolarHBondContact O-N 3.11Å; A285-S288 PolarHBondContact O-OG 3.4Å; A285-H289 PolarHBondContact O-CD2 2.87Å; A285-H289 PolarHBondContact O-N 3.4Å; A285-K383 HydrophobicContact CB-CB 4.5Å; A285-K383 HydrophobicContact CB-CD 4.45Å; A285-K383 HydrophobicContact CB-CG 3.85Å |
| 286 | L | 81.6 | Confident | 83 | Confident | 29 Ų | 29 | 27.8 Ų | 27.8 | 15% | 0.152 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.6 | -47 | 174.8 | -71 | 174.7 | 0 | 0 | 0 | 111 | F22 T25 L26 Y29 S282 L283 S288 H289 N290 | F22-L286 HydrophobicContact CE2-CB 4.39Å; F22-L286 WeakPolarHBondContact CE2-O 3.39Å; T25-L286 HydrophobicContact CG2-CD1 4.44Å; T25-L286 HydrophobicContact CG2-CD2 3.67Å; L26-L286 HydrophobicContact CD2-CB 4.42Å; L26-L286 HydrophobicContact CD2-CD1 4.1Å; Y29-L286 HydrophobicContact CD1-CD1 4.3Å; Y29-L286 HydrophobicContact CG-CD1 4.13Å; S282-L286 WeakPolarHBondContact O-CG 3.42Å; S282-L286 PolarHBondContact O-N 3.47Å; L283-L286 PolarHBondContact O-N 2.84Å; L286-S288 PolarHBondContact O-N 3.2Å; L286-H289 PolarHBondContact O-N 3.33Å; L286-N290 PolarHBondContact O-N 3.05Å |
| 287 | G | 82.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.3 | -40.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | G74 Q75 L283 I284 H289 N290 | G74-G287 VanDerWaalsContact C-C 3.49Å; Q75-G287 WeakPolarHBondContact CA-O 3.39Å; Q75-G287 PolarHBondContact N-O 2.84Å; L283-G287 PolarHBondContact O-N 3.41Å; I284-G287 PolarHBondContact O-N 2.74Å; G287-H289 PolarHBondContact O-N 3.22Å; G287-H289 VanDerWaalsContact O-N 3.13Å; G287-N290 VanDerWaalsContact O-CB 3.23Å; G287-N290 WeakPolarHBondContact O-CB 2.94Å; G287-N290 PolarHBondContact O-N 3.41Å |
| 288 | S | 82.7 | Confident | 82.9 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12.3 | 178.2 | 84.8 | 0 | 0 | 0 | 0 | 115.6 | G74 Q78 R79 I284 A285 L286 | G74-S288 WeakPolarHBondContact O-CA 3.48Å; G74-S288 WeakPolarHBondContact O-CB 3.49Å; G74-S288 PolarHBondContact O-N 3.42Å; Q78-S288 PolarHBondContact OE1-O 2.85Å; R79-S288 VanDerWaalsContact O-CB 3.25Å; R79-S288 WeakPolarHBondContact O-CB 3.1Å; I284-S288 WeakPolarHBondContact O-CB 3.06Å; I284-S288 PolarHBondContact O-N 2.75Å; A285-S288 WeakPolarHBondContact O-CB 3.5Å; A285-S288 PolarHBondContact O-N 3.11Å; A285-S288 PolarHBondContact O-OG 3.4Å; L286-S288 PolarHBondContact O-N 3.2Å |
| 289 | H | 75.3 | Confident | 82.8 | Confident | 96 Ų | 96 | 42.6 Ų | 42.6 | 44% | 0.444 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -3.4 | 172.3 | -72 | -64.2 | 0 | 0 | 0 | 112.7 | A285 L286 G287 | A285-H289 PolarHBondContact O-CD2 2.87Å; A285-H289 PolarHBondContact O-N 3.4Å; L286-H289 PolarHBondContact O-N 3.33Å; G287-H289 PolarHBondContact O-N 3.22Å; G287-H289 VanDerWaalsContact O-N 3.13Å |
| 290 | N | 78.1 | Confident | 82.9 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.064 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -81.8 | 155.4 | 176.1 | -161 | 6.3 | 0 | 0 | 0 | 111.1 | F22 Q75 Q78 L286 G287 H294 | F22-N290 VanDerWaalsContact CD1-ND2 3.31Å; F22-N290 WeakPolarHBondContact CD1-ND2 3.35Å; F22-N290 HydrophobicContact CD2-CB 4Å; F22-N290 HydrophobicContact CE1-CB 4.47Å; F22-N290 WeakPolarHBondContact CE1-ND2 3.45Å; F22-N290 HydrophobicContact CE2-CB 3.8Å; F22-N290 HydrophobicContact CG-CB 4.43Å; F22-N290 HydrophobicContact CZ-CB 4.05Å; Q75-N290 HydrophobicContact CG-CB 4.32Å; Q78-N290 PolarHBondContact NE2-O 3.4Å; L286-N290 PolarHBondContact O-N 3.05Å; G287-N290 VanDerWaalsContact O-CB 3.23Å; G287-N290 WeakPolarHBondContact O-CB 2.94Å; G287-N290 PolarHBondContact O-N 3.41Å; N290-H294 WeakPolarHBondContact OD1-CB 3.36Å |
| 291 | K | 78.4 | Confident | 83.1 | Confident | 81 Ų | 81 | 45.4 Ų | 45.4 | 35% | 0.352 | 21% | 0.206 | S | C | . | . | trans | -69.6 | 142.9 | 175.2 | -65 | -178.7 | -178.2 | 176.5 | 0 | 110.1 | E14 Q75 H293 H294 | E14-K291 HydrophobicContact CG-CD 4.38Å; Q75-K291 PolarHBondContact NE2-O 2.66Å; K291-H293 VanDerWaalsContact C-N 3.29Å; K291-H293 PolarHBondContact O-N 3.1Å; K291-H294 HydrophobicContact CB-CB 4.32Å; K291-H294 WeakPolarHBondContact O-CB 3.41Å; K291-H294 PolarHBondContact O-N 3.44Å; K291-H294 VanDerWaalsContact O-N 3.12Å | ||
| 292 | F | 75 | Confident | 83.4 | Confident | 98 Ų | 98 | 48.3 Ų | 48.3 | 43% | 0.43 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -36.4 | -176.1 | -170.6 | -95.5 | 0 | 0 | 0 | 114.4 | Y76 | Y76-F292 AromaticContact CD2-CE2 3.56Å; Y76-F292 HydrophobicContact CD2-CE2 3.56Å; Y76-F292 AromaticContact CD2-CZ 3.77Å; Y76-F292 HydrophobicContact CD2-CZ 3.77Å; Y76-F292 AromaticContact CE2-CE2 3.92Å; Y76-F292 HydrophobicContact CE2-CE2 3.92Å; Y76-F292 AromaticContact CE2-CZ 3.83Å; Y76-F292 HydrophobicContact CE2-CZ 3.83Å; Y76-F292 HydrophobicContact CG-CE2 4.39Å |
| 293 | H | 75.4 | Confident | 83.7 | Confident | 121 Ų | 121 | 48.2 Ų | 48.2 | 56% | 0.56 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 10.4 | -178.2 | -62.3 | -63.6 | 0 | 0 | 0 | 114.5 | K291 Y457 | K291-H293 VanDerWaalsContact C-N 3.29Å; K291-H293 PolarHBondContact O-N 3.1Å; H293-Y457 AromaticContact CE1-CE2 3.83Å; H293-Y457 AromaticContact ND1-CD2 3.54Å; H293-Y457 AromaticContact ND1-CE2 3.49Å; H293-Y457 WeakPolarHBondContact ND1-CE2 3.25Å |
| 294 | H | 80.6 | Confident | 84 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.065 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -73.8 | 142.6 | 177.2 | -166.8 | 84.1 | 0 | 0 | 0 | 110.7 | E14 Q75 N290 K291 V296 D299 | E14-H294 IonicContact OE1-CE1 3.35Å; E14-H294 IonicContact OE1-CG 2.67Å; E14-H294 IonicContact OE1-ND1 3.49Å; E14-H294 PolarHBondContact OE1-ND1 3.35Å; Q75-H294 PolarHBondContact NE2-O 2.97Å; N290-H294 WeakPolarHBondContact OD1-CB 3.36Å; K291-H294 HydrophobicContact CB-CB 4.32Å; K291-H294 WeakPolarHBondContact O-CB 3.41Å; K291-H294 PolarHBondContact O-N 3.44Å; K291-H294 VanDerWaalsContact O-N 3.12Å; H294-V296 VanDerWaalsContact C-N 3.34Å; H294-V296 PolarHBondContact O-N 3.04Å; H294-D299 IonicContact CD2-OD2 3.82Å; H294-D299 PolarHBondContact CD2-OD2 3.33Å; H294-D299 IonicContact NE2-OD2 3.22Å; H294-D299 PolarHBondContact NE2-OD2 3.27Å |
| 295 | N | 84 | Confident | 84.2 | Confident | 90 Ų | 90 | 54.9 Ų | 54.9 | 48% | 0.481 | 25% | 0.25 | S | C | . | . | trans | -75.6 | 83.2 | -176.5 | -173.4 | -12 | 0 | 0 | 0 | 111.7 | Y297 R298 D299 | N295-Y297 PolarHBondContact O-N 3.38Å; N295-Y297 WeakPolarHBondContact OD1-CB 3.1Å; N295-Y297 PolarHBondContact OD1-N 2.94Å; N295-R298 PolarHBondContact OD1-N 3.3Å; N295-D299 PolarHBondContact O-N 2.53Å | ||
| 296 | V | 85.1 | Confident | 84.7 | Confident | 16 Ų | 16 | 56.6 Ų | 56.6 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -29.5 | 177.2 | 64 | 0 | 0 | 0 | 0 | 113.3 | V71 S72 Q75 H294 D299 S300 | V71-V296 HydrophobicContact CB-CG2 3.77Å; V71-V296 HydrophobicContact CG1-CG2 3.33Å; S72-V296 WeakPolarHBondContact OG-CG1 3.43Å; Q75-V296 VanDerWaalsContact OE1-CB 3.23Å; H294-V296 VanDerWaalsContact C-N 3.34Å; H294-V296 PolarHBondContact O-N 3.04Å; V296-D299 PolarHBondContact O-N 3.49Å; V296-S300 WeakPolarHBondContact O-CB 3.5Å; V296-S300 PolarHBondContact O-N 3.01Å; V296-S300 PolarHBondContact O-OG 2.82Å |
| 297 | Y | 85.3 | Confident | 85.2 | Confident | 142 Ų | 142 | 55.3 Ų | 55.3 | 56% | 0.557 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63 | -49.8 | -178.9 | 179.4 | -96.6 | 0 | 0 | 0 | 111.6 | L68 N295 D299 S300 I301 | L68-Y297 HydrophobicContact CD1-CD2 4.14Å; L68-Y297 HydrophobicContact CD2-CD2 3.67Å; L68-Y297 HydrophobicContact CD2-CE2 4.05Å; N295-Y297 PolarHBondContact O-N 3.38Å; N295-Y297 WeakPolarHBondContact OD1-CB 3.1Å; N295-Y297 PolarHBondContact OD1-N 2.94Å; Y297-D299 PolarHBondContact O-N 2.85Å; Y297-S300 PolarHBondContact O-N 3.4Å; Y297-I301 HydrophobicContact CD1-CD1 3.93Å; Y297-I301 HydrophobicContact CD2-CD1 4.18Å; Y297-I301 HydrophobicContact CE1-CD1 3.37Å; Y297-I301 HydrophobicContact CE2-CD1 3.66Å; Y297-I301 HydrophobicContact CG-CD1 4.31Å; Y297-I301 WeakPolarHBondContact O-CG1 3.4Å; Y297-I301 PolarHBondContact O-N 3.36Å; Y297-I301 VanDerWaalsContact O-N 3.14Å; Y297-I301 WeakPolarHBondContact OH-CD1 3.26Å |
| 298 | R | 87 | Confident | 85.7 | Confident | 164 Ų | 164 | 56 Ų | 56 | 62% | 0.619 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59 | -49 | 176.8 | -178.6 | -169.9 | 178 | -166.8 | -0.4 | 111.3 | N295 S300 L302 | N295-R298 PolarHBondContact OD1-N 3.3Å; R298-S300 VanDerWaalsContact C-N 3.35Å; R298-S300 PolarHBondContact O-N 2.65Å; R298-L302 VanDerWaalsContact O-CB 3.24Å; R298-L302 WeakPolarHBondContact O-CB 3.25Å; R298-L302 PolarHBondContact O-N 3.46Å |
| 299 | D | 87.6 | Confident | 86.3 | Confident | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.5 | -38.2 | -174.6 | -71.1 | -0.4 | 0 | 0 | 0 | 111.7 | F22 L26 H294 N295 V296 Y297 M303 | F22-D299 WeakPolarHBondContact CD1-OD2 3.32Å; L26-D299 HydrophobicContact CD1-CB 4.34Å; H294-D299 IonicContact CD2-OD2 3.82Å; H294-D299 PolarHBondContact CD2-OD2 3.33Å; H294-D299 IonicContact NE2-OD2 3.22Å; H294-D299 PolarHBondContact NE2-OD2 3.27Å; N295-D299 PolarHBondContact O-N 2.53Å; V296-D299 PolarHBondContact O-N 3.49Å; Y297-D299 PolarHBondContact O-N 2.85Å; D299-M303 VanDerWaalsContact O-CB 3.25Å; D299-M303 WeakPolarHBondContact O-CB 3.44Å; D299-M303 PolarHBondContact O-N 2.9Å |
| 300 | S | 88 | Confident | 87.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -47.4 | 178.2 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | V296 Y297 R298 M303 C304 | V296-S300 WeakPolarHBondContact O-CB 3.5Å; V296-S300 PolarHBondContact O-N 3.01Å; V296-S300 PolarHBondContact O-OG 2.82Å; Y297-S300 PolarHBondContact O-N 3.4Å; R298-S300 VanDerWaalsContact C-N 3.35Å; R298-S300 PolarHBondContact O-N 2.65Å; S300-M303 PolarHBondContact O-N 2.73Å; S300-C304 PolarHBondContact O-N 3.32Å; S300-C304 PolarHBondContact O-SG 3.26Å |
| 301 | I | 90.6 | Very high | 87.9 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 33% | 0.333 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.8 | -45.8 | 177.7 | -69.9 | 173.5 | 0 | 0 | 0 | 110.6 | T64 Y297 M303 C304 F305 | T64-I301 HydrophobicContact CG2-CG1 4.12Å; Y297-I301 HydrophobicContact CD1-CD1 3.93Å; Y297-I301 HydrophobicContact CD2-CD1 4.18Å; Y297-I301 HydrophobicContact CE1-CD1 3.37Å; Y297-I301 HydrophobicContact CE2-CD1 3.66Å; Y297-I301 HydrophobicContact CG-CD1 4.31Å; Y297-I301 WeakPolarHBondContact O-CG1 3.4Å; Y297-I301 PolarHBondContact O-N 3.36Å; Y297-I301 VanDerWaalsContact O-N 3.14Å; Y297-I301 WeakPolarHBondContact OH-CD1 3.26Å; I301-M303 VanDerWaalsContact C-N 3.33Å; I301-M303 PolarHBondContact O-N 3.39Å; I301-C304 PolarHBondContact O-N 3.44Å; I301-F305 WeakPolarHBondContact O-CB 3.28Å; I301-F305 PolarHBondContact O-N 3Å |
| 302 | L | 91.4 | Very high | 88.6 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.8 | -41.7 | -179.8 | -178.8 | 53.8 | 0 | 0 | 0 | 111.2 | I23 R298 F305 I306 | I23-L302 HydrophobicContact CD1-CB 4.29Å; I23-L302 HydrophobicContact CD1-CD2 3.4Å; I23-L302 HydrophobicContact CD1-CG 3.91Å; R298-L302 VanDerWaalsContact O-CB 3.24Å; R298-L302 WeakPolarHBondContact O-CB 3.25Å; R298-L302 PolarHBondContact O-N 3.46Å; L302-F305 PolarHBondContact O-N 3.36Å; L302-I306 HydrophobicContact CD1-CD1 3.79Å; L302-I306 HydrophobicContact CD1-CG1 4.09Å; L302-I306 HydrophobicContact CG-CD1 3.8Å; L302-I306 WeakPolarHBondContact O-CB 3.46Å; L302-I306 WeakPolarHBondContact O-CG1 3.24Å; L302-I306 PolarHBondContact O-N 2.61Å |
| 303 | M | 90.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.7 | -55.7 | 173.5 | -171.6 | -61 | -75.2 | 0 | 0 | 110.5 | L26 I27 A30 F67 D299 S300 I301 F305 I306 N307 | L26-M303 HydrophobicContact CB-CG 4.07Å; I27-M303 HydrophobicContact CG1-CG 4.47Å; A30-M303 HydrophobicContact CB-CE 4.02Å; A30-M303 HydrophobicContact CB-CG 4.09Å; A30-M303 HydrophobicContact CB-SD 3.19Å; A30-M303 WeakPolarHBondContact CB-SD 3.41Å; F67-M303 HydrophobicContact CD1-CE 4.21Å; F67-M303 HydrophobicContact CD2-CE 3.52Å; F67-M303 HydrophobicContact CE1-CE 3.79Å; F67-M303 HydrophobicContact CE2-CE 3.04Å; F67-M303 HydrophobicContact CG-CE 4.08Å; F67-M303 HydrophobicContact CZ-CE 3.18Å; F67-M303 HydrophobicContact CZ-CG 4.32Å; D299-M303 VanDerWaalsContact O-CB 3.25Å; D299-M303 WeakPolarHBondContact O-CB 3.44Å; D299-M303 PolarHBondContact O-N 2.9Å; S300-M303 PolarHBondContact O-N 2.73Å; I301-M303 VanDerWaalsContact C-N 3.33Å; I301-M303 PolarHBondContact O-N 3.39Å; M303-F305 PolarHBondContact O-N 3.41Å; M303-I306 PolarHBondContact O-N 3.16Å; M303-N307 WeakPolarHBondContact O-CB 3.22Å; M303-N307 PolarHBondContact O-N 3.03Å; M303-N307 HydrophobicContact SD-CB 3.82Å |
| 304 | C | 92.5 | Very high | 90.4 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.7 | -41.7 | -176.5 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | W59 S300 I301 N307 A308 | W59-C304 HydrophobicContact CE3-CB 3.85Å; W59-C304 HydrophobicContact CZ3-CB 3.78Å; S300-C304 PolarHBondContact O-N 3.32Å; S300-C304 PolarHBondContact O-SG 3.26Å; I301-C304 PolarHBondContact O-N 3.44Å; C304-N307 PolarHBondContact O-N 3.32Å; C304-A308 WeakPolarHBondContact O-CB 3.48Å; C304-A308 PolarHBondContact O-N 3.35Å |
| 305 | F | 93.1 | Very high | 91 | Very high | 136 Ų | 136 | 43 Ų | 43 | 60% | 0.596 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -63.3 | -47.8 | 174.7 | -178.6 | -100.1 | 0 | 0 | 0 | 112.8 | I301 L302 M303 N307 A308 C309 | I301-F305 WeakPolarHBondContact O-CB 3.28Å; I301-F305 PolarHBondContact O-N 3Å; L302-F305 PolarHBondContact O-N 3.36Å; M303-F305 PolarHBondContact O-N 3.41Å; F305-N307 VanDerWaalsContact C-N 3.3Å; F305-N307 PolarHBondContact O-N 3.24Å; F305-A308 PolarHBondContact O-N 3.38Å; F305-C309 WeakPolarHBondContact O-CB 3.39Å; F305-C309 PolarHBondContact O-N 2.83Å; F305-C309 PolarHBondContact O-SG 2.95Å; F305-C309 VanDerWaalsContact O-SG 3.38Å |
| 306 | I | 92.9 | Very high | 91.6 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 23% | 0.226 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -43 | 177.3 | -72.9 | 168.4 | 0 | 0 | 0 | 110.6 | I27 Y226 L302 M303 C309 T310 | I27-I306 HydrophobicContact CD1-CD1 3.65Å; I27-I306 HydrophobicContact CG1-CD1 4.24Å; I27-I306 HydrophobicContact CG2-CG2 4.4Å; Y226-I306 WeakPolarHBondContact OH-CG2 3.46Å; L302-I306 HydrophobicContact CD1-CD1 3.79Å; L302-I306 HydrophobicContact CD1-CG1 4.09Å; L302-I306 HydrophobicContact CG-CD1 3.8Å; L302-I306 WeakPolarHBondContact O-CB 3.46Å; L302-I306 WeakPolarHBondContact O-CG1 3.24Å; L302-I306 PolarHBondContact O-N 2.61Å; M303-I306 PolarHBondContact O-N 3.16Å; I306-C309 PolarHBondContact O-N 2.85Å; I306-T310 WeakPolarHBondContact O-CB 3.36Å; I306-T310 PolarHBondContact O-N 3.28Å; I306-T310 PolarHBondContact O-OG1 2.99Å |
| 307 | N | 93.1 | Very high | 92 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | -179.5 | -164.7 | 13 | 0 | 0 | 0 | 112.3 | A30 N35 W59 S275 M303 C304 F305 T310 S311 | A30-N307 HydrophobicContact CB-CB 4.48Å; A30-N307 PolarHBondContact O-ND2 2.73Å; A30-N307 PolarHBondContact O-OD1 3.18Å; N35-N307 PolarHBondContact ND2-OD1 2.91Å; W59-N307 HydrophobicContact CH2-CB 3.97Å; W59-N307 VanDerWaalsContact CH2-ND2 3.34Å; W59-N307 WeakPolarHBondContact CH2-ND2 3.1Å; W59-N307 HydrophobicContact CZ2-CB 4.21Å; S275-N307 VanDerWaalsContact C-ND2 3.28Å; S275-N307 PolarHBondContact O-ND2 2.91Å; S275-N307 PolarHBondContact OG-ND2 3.1Å; S275-N307 PolarHBondContact OG-OD1 2.89Å; M303-N307 WeakPolarHBondContact O-CB 3.22Å; M303-N307 PolarHBondContact O-N 3.03Å; M303-N307 HydrophobicContact SD-CB 3.82Å; C304-N307 PolarHBondContact O-N 3.32Å; F305-N307 VanDerWaalsContact C-N 3.3Å; F305-N307 PolarHBondContact O-N 3.24Å; N307-T310 PolarHBondContact O-N 3.2Å; N307-S311 PolarHBondContact O-N 3.1Å; N307-S311 PolarHBondContact O-OG 3.41Å |
| 308 | A | 93.7 | Very high | 92.3 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.3 | -49.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | W59 C304 F305 T310 S311 L312 | W59-A308 HydrophobicContact CD2-CB 4.25Å; W59-A308 HydrophobicContact CG-CB 4.21Å; C304-A308 WeakPolarHBondContact O-CB 3.48Å; C304-A308 PolarHBondContact O-N 3.35Å; F305-A308 PolarHBondContact O-N 3.38Å; A308-T310 VanDerWaalsContact C-N 3.32Å; A308-T310 PolarHBondContact O-N 3.44Å; A308-S311 WeakPolarHBondContact O-CB 3.4Å; A308-S311 PolarHBondContact O-N 3.41Å; A308-L312 WeakPolarHBondContact O-CG 3.38Å; A308-L312 PolarHBondContact O-N 3.14Å |
| 309 | C | 93.6 | Very high | 92.6 | Very high | 46 Ų | 46 | 27 Ų | 27 | 31% | 0.311 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60.7 | -38.5 | 176.7 | -73.3 | 0 | 0 | 0 | 0 | 112.8 | F305 I306 L312 T313 | F305-C309 WeakPolarHBondContact O-CB 3.39Å; F305-C309 PolarHBondContact O-N 2.83Å; F305-C309 PolarHBondContact O-SG 2.95Å; F305-C309 VanDerWaalsContact O-SG 3.38Å; I306-C309 PolarHBondContact O-N 2.85Å; C309-L312 PolarHBondContact O-N 3.21Å; C309-T313 WeakPolarHBondContact O-CB 3.25Å; C309-T313 PolarHBondContact O-N 3.39Å; C309-T313 PolarHBondContact O-OG1 3.44Å |
| 310 | T | 93.2 | Very high | 93 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 4% | 0.043 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 177.6 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | I31 Y226 L229 I306 N307 A308 L312 T313 A314 | I31-T310 HydrophobicContact CG1-CG2 4.45Å; I31-T310 HydrophobicContact CG2-CG2 4.13Å; Y226-T310 HydrophobicContact CE1-CG2 3.69Å; Y226-T310 VanDerWaalsContact CE1-OG1 3.25Å; Y226-T310 WeakPolarHBondContact CE1-OG1 3.12Å; Y226-T310 PolarHBondContact OH-OG1 2.87Å; L229-T310 HydrophobicContact CD2-CG2 4.31Å; I306-T310 WeakPolarHBondContact O-CB 3.36Å; I306-T310 PolarHBondContact O-N 3.28Å; I306-T310 PolarHBondContact O-OG1 2.99Å; N307-T310 PolarHBondContact O-N 3.2Å; A308-T310 VanDerWaalsContact C-N 3.32Å; A308-T310 PolarHBondContact O-N 3.44Å; T310-L312 PolarHBondContact O-N 3.12Å; T310-T313 PolarHBondContact O-N 3.26Å; T310-A314 WeakPolarHBondContact O-CB 3.26Å; T310-A314 PolarHBondContact O-N 2.74Å |
| 311 | S | 94 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 175.6 | -53 | 0 | 0 | 0 | 0 | 112 | N35 F39 Y55 N307 A308 T313 A314 G315 | N35-S311 PolarHBondContact ND2-OG 3.27Å; F39-S311 WeakPolarHBondContact CD1-O 3.23Å; F39-S311 WeakPolarHBondContact CE1-O 3.4Å; Y55-S311 VanDerWaalsContact OH-CB 3.23Å; Y55-S311 WeakPolarHBondContact OH-CB 3.29Å; Y55-S311 PolarHBondContact OH-OG 2.95Å; Y55-S311 VanDerWaalsContact OH-OG 3.06Å; N307-S311 PolarHBondContact O-N 3.1Å; N307-S311 PolarHBondContact O-OG 3.41Å; A308-S311 WeakPolarHBondContact O-CB 3.4Å; A308-S311 PolarHBondContact O-N 3.41Å; S311-T313 VanDerWaalsContact C-N 3.34Å; S311-T313 PolarHBondContact O-N 2.93Å; S311-A314 PolarHBondContact O-N 2.71Å; S311-G315 PolarHBondContact O-N 3.31Å |
| 312 | L | 94.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 24 Ų | 24 | 24% | 0.241 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 177.6 | -68.4 | 171 | 0 | 0 | 0 | 111.6 | F39 L52 Y249 A308 C309 T310 G315 F316 | F39-L312 HydrophobicContact CE1-CD2 4.39Å; F39-L312 HydrophobicContact CZ-CD2 3.83Å; L52-L312 HydrophobicContact CD2-CD2 3.72Å; Y249-L312 PolarHBondContact OH-O 3.27Å; A308-L312 WeakPolarHBondContact O-CG 3.38Å; A308-L312 PolarHBondContact O-N 3.14Å; C309-L312 PolarHBondContact O-N 3.21Å; T310-L312 PolarHBondContact O-N 3.12Å; L312-G315 WeakPolarHBondContact O-CA 3.48Å; L312-G315 PolarHBondContact O-N 3.46Å; L312-F316 WeakPolarHBondContact O-CD2 3.32Å; L312-F316 PolarHBondContact O-N 3.44Å |
| 313 | T | 94.5 | Very high | 93.4 | Very high | 54 Ų | 54 | 21 Ų | 21 | 33% | 0.331 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 177.6 | -56 | 0 | 0 | 0 | 0 | 111.2 | L229 L233 C309 T310 S311 G315 F316 A317 | L229-T313 HydrophobicContact CD2-CG2 4.19Å; L229-T313 HydrophobicContact CG-CG2 4.47Å; L233-T313 HydrophobicContact CD2-CG2 3.86Å; C309-T313 WeakPolarHBondContact O-CB 3.25Å; C309-T313 PolarHBondContact O-N 3.39Å; C309-T313 PolarHBondContact O-OG1 3.44Å; T310-T313 PolarHBondContact O-N 3.26Å; S311-T313 VanDerWaalsContact C-N 3.34Å; S311-T313 PolarHBondContact O-N 2.93Å; T313-G315 VanDerWaalsContact C-N 3.33Å; T313-G315 PolarHBondContact O-N 2.92Å; T313-F316 PolarHBondContact O-N 3.27Å; T313-A317 PolarHBondContact O-N 3.32Å |
| 314 | A | 93.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | N35 L229 T310 S311 F316 A317 V318 | N35-A314 WeakPolarHBondContact O-CB 3.46Å; L229-A314 HydrophobicContact CD1-CB 4.14Å; L229-A314 HydrophobicContact CD2-CB 4.27Å; T310-A314 WeakPolarHBondContact O-CB 3.26Å; T310-A314 PolarHBondContact O-N 2.74Å; S311-A314 PolarHBondContact O-N 2.71Å; A314-F316 PolarHBondContact O-N 2.94Å; A314-A317 PolarHBondContact O-N 3.14Å; A314-V318 WeakPolarHBondContact O-CB 3.22Å; A314-V318 WeakPolarHBondContact O-CG2 3.48Å; A314-V318 PolarHBondContact O-N 3.25Å |
| 315 | G | 93.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -51.3 | -53.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S311 L312 T313 A317 V318 F319 | S311-G315 PolarHBondContact O-N 3.31Å; L312-G315 WeakPolarHBondContact O-CA 3.48Å; L312-G315 PolarHBondContact O-N 3.46Å; T313-G315 VanDerWaalsContact C-N 3.33Å; T313-G315 PolarHBondContact O-N 2.92Å; G315-A317 PolarHBondContact O-N 3.04Å; G315-V318 PolarHBondContact O-N 3.05Å; G315-F319 WeakPolarHBondContact O-CB 3.08Å; G315-F319 VanDerWaalsContact O-CD2 3.27Å; G315-F319 WeakPolarHBondContact O-CD2 3.35Å; G315-F319 PolarHBondContact O-N 3.13Å |
| 316 | F | 95 | Very high | 93.4 | Very high | 72 Ų | 72 | 15.3 Ų | 15.3 | 32% | 0.316 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -58.9 | -43.7 | 176.7 | -76.9 | -74.3 | 0 | 0 | 0 | 113.3 | L233 I246 Y249 L250 L312 T313 A314 S320 | L233-F316 HydrophobicContact CD1-CB 3.72Å; I246-F316 HydrophobicContact CG1-CD1 4.5Å; I246-F316 HydrophobicContact CG2-CD1 4.22Å; I246-F316 HydrophobicContact CG2-CE1 4.07Å; Y249-F316 HydrophobicContact CD1-CD1 4.01Å; Y249-F316 AromaticContact CD1-CE1 3.97Å; Y249-F316 HydrophobicContact CD1-CE1 3.97Å; Y249-F316 HydrophobicContact CD1-CG 4.36Å; Y249-F316 HydrophobicContact CD1-CZ 4.27Å; Y249-F316 HydrophobicContact CE1-CD1 4.04Å; Y249-F316 AromaticContact CE1-CD2 3.88Å; Y249-F316 HydrophobicContact CE1-CD2 3.88Å; Y249-F316 AromaticContact CE1-CE1 3.98Å; Y249-F316 HydrophobicContact CE1-CE1 3.98Å; Y249-F316 AromaticContact CE1-CE2 3.81Å; Y249-F316 HydrophobicContact CE1-CE2 3.81Å; Y249-F316 AromaticContact CE1-CG 3.99Å; Y249-F316 HydrophobicContact CE1-CG 3.99Å; Y249-F316 AromaticContact CE1-CZ 3.86Å; Y249-F316 HydrophobicContact CE1-CZ 3.86Å; L250-F316 HydrophobicContact CD1-CE1 4.03Å; L250-F316 HydrophobicContact CD1-CZ 4.31Å; L250-F316 HydrophobicContact CD2-CE1 4.26Å; L250-F316 HydrophobicContact CD2-CZ 4.01Å; L250-F316 HydrophobicContact CG-CE1 4.32Å; L312-F316 WeakPolarHBondContact O-CD2 3.32Å; L312-F316 PolarHBondContact O-N 3.44Å; T313-F316 PolarHBondContact O-N 3.27Å; A314-F316 PolarHBondContact O-N 2.94Å; F316-S320 VanDerWaalsContact O-CB 3.27Å; F316-S320 WeakPolarHBondContact O-CB 3.2Å; F316-S320 PolarHBondContact O-N 3.48Å; F316-S320 PolarHBondContact O-OG 3.2Å |
| 317 | A | 93.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 2% | 0.017 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L229 L233 T313 A314 G315 S320 I321 | L229-A317 HydrophobicContact CD1-CB 4Å; L233-A317 HydrophobicContact CB-CB 4.06Å; L233-A317 HydrophobicContact CD1-CB 4.16Å; T313-A317 PolarHBondContact O-N 3.32Å; A314-A317 PolarHBondContact O-N 3.14Å; G315-A317 PolarHBondContact O-N 3.04Å; A317-S320 PolarHBondContact O-OG 2.99Å; A317-I321 WeakPolarHBondContact O-CG1 3.45Å; A317-I321 PolarHBondContact O-N 3.48Å |
| 318 | V | 92.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.7 | -51.4 | -179.4 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | V36 P40 A314 G315 S320 I321 L322 L343 Y348 | V36-V318 VanDerWaalsContact O-CG2 3.28Å; V36-V318 WeakPolarHBondContact O-CG2 3.36Å; P40-V318 HydrophobicContact CB-CB 4Å; P40-V318 HydrophobicContact CB-CG1 3.89Å; P40-V318 HydrophobicContact CB-CG2 4.2Å; P40-V318 HydrophobicContact CG-CB 4.04Å; P40-V318 HydrophobicContact CG-CG1 4.31Å; P40-V318 HydrophobicContact CG-CG2 3.7Å; A314-V318 WeakPolarHBondContact O-CB 3.22Å; A314-V318 WeakPolarHBondContact O-CG2 3.48Å; A314-V318 PolarHBondContact O-N 3.25Å; G315-V318 PolarHBondContact O-N 3.05Å; V318-S320 VanDerWaalsContact C-N 3.34Å; V318-S320 PolarHBondContact O-N 3.12Å; V318-I321 PolarHBondContact O-N 2.94Å; V318-L322 HydrophobicContact CG1-CD1 3.85Å; V318-L322 HydrophobicContact CG1-CG 4.25Å; V318-L322 VanDerWaalsContact O-CG 3.3Å; V318-L322 WeakPolarHBondContact O-CG 3.42Å; V318-L322 PolarHBondContact O-N 2.91Å; V318-L343 HydrophobicContact CG1-CD2 4.22Å; V318-Y348 WeakPolarHBondContact CA-OH 3.24Å; V318-Y348 HydrophobicContact CB-CE2 4.43Å; V318-Y348 WeakPolarHBondContact CB-OH 3.24Å; V318-Y348 HydrophobicContact CG1-CE2 3.89Å; V318-Y348 HydrophobicContact CG2-CE2 4.09Å; V318-Y348 WeakPolarHBondContact CG2-OH 3.35Å |
| 319 | F | 93.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68 | -31.8 | -176.9 | -83.3 | -94.6 | 0 | 0 | 0 | 113.1 | P40 Y44 G245 V248 Y249 G315 L322 G323 | P40-F319 HydrophobicContact CB-CD2 4.21Å; P40-F319 HydrophobicContact CB-CE2 3.86Å; P40-F319 WeakPolarHBondContact O-CE2 3.19Å; P40-F319 WeakPolarHBondContact O-CZ 3.09Å; Y44-F319 HydrophobicContact CD2-CE1 4.23Å; G245-F319 VanDerWaalsContact CA-O 3.27Å; G245-F319 WeakPolarHBondContact CA-O 3.47Å; G245-F319 WeakPolarHBondContact O-CD1 3.47Å; V248-F319 HydrophobicContact CG1-CE1 4.15Å; Y249-F319 AromaticContact CD2-CD2 3.5Å; Y249-F319 HydrophobicContact CD2-CD2 3.5Å; Y249-F319 VanDerWaalsContact CD2-CD2 3.5Å; Y249-F319 AromaticContact CD2-CE2 3.36Å; Y249-F319 HydrophobicContact CD2-CE2 3.36Å; Y249-F319 HydrophobicContact CD2-CG 4.11Å; Y249-F319 AromaticContact CD2-CZ 3.87Å; Y249-F319 HydrophobicContact CD2-CZ 3.87Å; Y249-F319 HydrophobicContact CE2-CD2 4.23Å; Y249-F319 HydrophobicContact CE2-CE2 4.04Å; Y249-F319 HydrophobicContact CG-CB 4.37Å; Y249-F319 AromaticContact CG-CD2 3.86Å; Y249-F319 HydrophobicContact CG-CD2 3.86Å; Y249-F319 HydrophobicContact CG-CE2 4.13Å; Y249-F319 HydrophobicContact CG-CG 4.05Å; G315-F319 WeakPolarHBondContact O-CB 3.08Å; G315-F319 VanDerWaalsContact O-CD2 3.27Å; G315-F319 WeakPolarHBondContact O-CD2 3.35Å; G315-F319 PolarHBondContact O-N 3.13Å; F319-L322 HydrophobicContact CD1-CD1 4.44Å; F319-L322 PolarHBondContact O-N 3.01Å; F319-G323 PolarHBondContact O-N 3.12Å |
| 320 | S | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 173.3 | 59.3 | 0 | 0 | 0 | 0 | 112 | G236 A242 F316 A317 V318 G323 H324 | G236-S320 WeakPolarHBondContact CA-OG 3.44Å; A242-S320 WeakPolarHBondContact CA-O 3.45Å; F316-S320 VanDerWaalsContact O-CB 3.27Å; F316-S320 WeakPolarHBondContact O-CB 3.2Å; F316-S320 PolarHBondContact O-N 3.48Å; F316-S320 PolarHBondContact O-OG 3.2Å; A317-S320 PolarHBondContact O-OG 2.99Å; V318-S320 VanDerWaalsContact C-N 3.34Å; V318-S320 PolarHBondContact O-N 3.12Å; S320-G323 PolarHBondContact O-N 3.46Å; S320-H324 PolarHBondContact O-N 3.36Å |
| 321 | I | 93.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 175 | -67.3 | 170.5 | 0 | 0 | 0 | 111.4 | L239 A317 V318 G323 H324 L325 Y348 A351 M355 | L239-I321 HydrophobicContact CD1-CG1 4.37Å; A317-I321 WeakPolarHBondContact O-CG1 3.45Å; A317-I321 PolarHBondContact O-N 3.48Å; V318-I321 PolarHBondContact O-N 2.94Å; I321-G323 VanDerWaalsContact C-N 3.31Å; I321-G323 PolarHBondContact O-N 3.12Å; I321-H324 WeakPolarHBondContact O-CB 3.27Å; I321-H324 PolarHBondContact O-N 2.79Å; I321-L325 PolarHBondContact O-N 3.48Å; I321-Y348 HydrophobicContact CB-CE1 4.45Å; I321-Y348 HydrophobicContact CD1-CE1 3.69Å; I321-Y348 HydrophobicContact CG2-CD1 4.33Å; I321-Y348 HydrophobicContact CG2-CE1 4.15Å; I321-A351 HydrophobicContact CG2-CB 3.36Å; I321-M355 HydrophobicContact CG1-CE 4.2Å; I321-M355 HydrophobicContact CG2-CE 3.77Å |
| 322 | L | 92.1 | Very high | 91.9 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -36.3 | 174.7 | -68.7 | 173.6 | 0 | 0 | 0 | 112.6 | V318 F319 H324 L325 A326 V333 V337 L343 V347 | V318-L322 HydrophobicContact CG1-CD1 3.85Å; V318-L322 HydrophobicContact CG1-CG 4.25Å; V318-L322 VanDerWaalsContact O-CG 3.3Å; V318-L322 WeakPolarHBondContact O-CG 3.42Å; V318-L322 PolarHBondContact O-N 2.91Å; F319-L322 HydrophobicContact CD1-CD1 4.44Å; F319-L322 PolarHBondContact O-N 3.01Å; L322-H324 VanDerWaalsContact C-N 3.34Å; L322-L325 PolarHBondContact O-N 3.38Å; L322-A326 VanDerWaalsContact O-CB 3.3Å; L322-A326 WeakPolarHBondContact O-CB 3.31Å; L322-A326 PolarHBondContact O-N 3.15Å; L322-V333 HydrophobicContact CB-CG1 4.46Å; L322-V337 HydrophobicContact CD1-CG2 3.79Å; L322-V337 HydrophobicContact CD2-CG2 4.42Å; L322-L343 HydrophobicContact CD1-CD1 4.32Å; L322-L343 HydrophobicContact CD2-CD1 4.15Å; L322-V347 HydrophobicContact CD2-CB 4.48Å; L322-V347 HydrophobicContact CD2-CG1 3.27Å |
| 323 | G | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G241 F319 S320 I321 A326 E327 | G241-G323 CarbonylContact O-C 3.25Å; G241-G323 VanDerWaalsContact O-C 3.25Å; G241-G323 WeakPolarHBondContact O-CA 3.36Å; F319-G323 PolarHBondContact O-N 3.12Å; S320-G323 PolarHBondContact O-N 3.46Å; I321-G323 VanDerWaalsContact C-N 3.31Å; I321-G323 PolarHBondContact O-N 3.12Å; G323-A326 PolarHBondContact O-N 3.27Å; G323-E327 PolarHBondContact O-N 2.99Å; G323-E327 VanDerWaalsContact O-N 3.11Å |
| 324 | H | 93.4 | Very high | 91 | Very high | 14 Ų | 14 | 36.8 Ų | 36.8 | 7% | 0.065 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -48.1 | 173 | 178.2 | 61.5 | 0 | 0 | 0 | 112.3 | L239 S240 S320 I321 L322 A326 E327 C328 | L239-H324 HydrophobicContact CB-CB 3.77Å; L239-H324 HydrophobicContact CD1-CB 3.89Å; L239-H324 HydrophobicContact CG-CB 4.39Å; S240-H324 WeakPolarHBondContact O-CA 3.08Å; S240-H324 VanDerWaalsContact O-CB 3.26Å; S240-H324 WeakPolarHBondContact O-CB 3.5Å; S240-H324 PolarHBondContact O-ND1 3.23Å; S240-H324 PolarHBondContact OG-ND1 3.46Å; S320-H324 PolarHBondContact O-N 3.36Å; I321-H324 WeakPolarHBondContact O-CB 3.27Å; I321-H324 PolarHBondContact O-N 2.79Å; L322-H324 VanDerWaalsContact C-N 3.34Å; H324-A326 VanDerWaalsContact C-N 3.33Å; H324-A326 PolarHBondContact O-N 3.34Å; H324-E327 PolarHBondContact O-N 3.13Å; H324-C328 PolarHBondContact CE1-SG 3.35Å; H324-C328 PolarHBondContact O-N 3.01Å; H324-C328 PolarHBondContact O-SG 3.46Å |
| 325 | L | 92.4 | Very high | 90.6 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 177.5 | 175.6 | 60.9 | 0 | 0 | 0 | 112 | I321 L322 E327 C328 V329 V336 V347 E350 A351 L354 | I321-L325 PolarHBondContact O-N 3.48Å; L322-L325 PolarHBondContact O-N 3.38Å; L325-E327 VanDerWaalsContact C-N 3.3Å; L325-E327 PolarHBondContact O-N 2.99Å; L325-C328 PolarHBondContact O-N 3.05Å; L325-V329 HydrophobicContact CD1-CG2 3.67Å; L325-V329 HydrophobicContact CG-CG2 4.45Å; L325-V329 WeakPolarHBondContact O-CB 3.49Å; L325-V329 WeakPolarHBondContact O-CG2 3.39Å; L325-V329 PolarHBondContact O-N 2.86Å; L325-V336 HydrophobicContact CD2-CB 4.1Å; L325-V336 HydrophobicContact CD2-CG2 4.5Å; L325-V336 HydrophobicContact CG-CB 4.38Å; L325-V336 HydrophobicContact CG-CG1 4.41Å; L325-V347 HydrophobicContact CD2-CG1 3.53Å; L325-E350 HydrophobicContact CD1-CB 4.42Å; L325-E350 HydrophobicContact CD1-CG 3.68Å; L325-E350 HydrophobicContact CD2-CB 4.45Å; L325-E350 HydrophobicContact CD2-CG 4.33Å; L325-A351 HydrophobicContact CB-CB 4.16Å; L325-A351 HydrophobicContact CD2-CB 4.39Å; L325-L354 HydrophobicContact CD1-CD1 3.59Å |
| 326 | A | 91.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L322 G323 H324 R330 K331 V333 V336 | L322-A326 VanDerWaalsContact O-CB 3.3Å; L322-A326 WeakPolarHBondContact O-CB 3.31Å; L322-A326 PolarHBondContact O-N 3.15Å; G323-A326 PolarHBondContact O-N 3.27Å; H324-A326 VanDerWaalsContact C-N 3.33Å; H324-A326 PolarHBondContact O-N 3.34Å; A326-R330 WeakPolarHBondContact O-CA 3.19Å; A326-R330 PolarHBondContact O-N 2.93Å; A326-K331 CarbonylContact C-O 3.59Å; A326-K331 WeakPolarHBondContact CA-O 3.42Å; A326-K331 VanDerWaalsContact CB-O 3.31Å; A326-K331 WeakPolarHBondContact CB-O 3.45Å; A326-K331 PolarHBondContact O-N 3.23Å; A326-K331 VanDerWaalsContact O-O 3.07Å; A326-V333 HydrophobicContact CB-CB 4.47Å; A326-V333 HydrophobicContact CB-CG2 3.68Å; A326-V336 HydrophobicContact CB-CG2 4.27Å |
| 327 | E | 91 | Very high | 89.5 | Confident | 97 Ų | 97 | 40.9 Ų | 40.9 | 45% | 0.453 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.3 | -46.9 | 176.2 | -172.9 | -178.9 | -134.9 | 0 | 0 | 112.1 | S240 G241 G323 H324 L325 V329 R330 | S240-E327 WeakPolarHBondContact CA-OE2 3.49Å; S240-E327 WeakPolarHBondContact CB-OE2 3.36Å; S240-E327 PolarHBondContact OG-OE2 3.31Å; G241-E327 WeakPolarHBondContact CA-OE2 3.48Å; G241-E327 PolarHBondContact N-OE2 3.27Å; G323-E327 PolarHBondContact O-N 2.99Å; G323-E327 VanDerWaalsContact O-N 3.11Å; H324-E327 PolarHBondContact O-N 3.13Å; L325-E327 VanDerWaalsContact C-N 3.3Å; L325-E327 PolarHBondContact O-N 2.99Å; E327-V329 PolarHBondContact O-N 3.2Å; E327-R330 PolarHBondContact O-N 3.11Å |
| 328 | C | 88.8 | Confident | 88.9 | Confident | 47 Ų | 47 | 44.1 Ų | 44.1 | 32% | 0.318 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 178.8 | -70.5 | 0 | 0 | 0 | 0 | 112.5 | H324 L325 R330 L354 | H324-C328 PolarHBondContact CE1-SG 3.35Å; H324-C328 PolarHBondContact O-N 3.01Å; H324-C328 PolarHBondContact O-SG 3.46Å; L325-C328 PolarHBondContact O-N 3.05Å; C328-R330 VanDerWaalsContact C-N 3.26Å; C328-R330 PolarHBondContact O-N 3.19Å; C328-L354 HydrophobicContact CB-CD1 3.72Å |
| 329 | V | 86.2 | Confident | 88.1 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 34% | 0.339 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -81.7 | -6.9 | -179.4 | -177.3 | 0 | 0 | 0 | 0 | 112 | L325 E327 K331 | L325-V329 HydrophobicContact CD1-CG2 3.67Å; L325-V329 HydrophobicContact CG-CG2 4.45Å; L325-V329 WeakPolarHBondContact O-CB 3.49Å; L325-V329 WeakPolarHBondContact O-CG2 3.39Å; L325-V329 PolarHBondContact O-N 2.86Å; E327-V329 PolarHBondContact O-N 3.2Å; V329-K331 HydrophobicContact CG1-CB 4.33Å; V329-K331 HydrophobicContact CG1-CD 3.87Å; V329-K331 HydrophobicContact CG1-CG 4.03Å; V329-K331 PolarHBondContact O-N 2.96Å |
| 330 | R | 87.2 | Confident | 87.3 | Confident | 222 Ų | 222 | 48.9 Ų | 48.9 | 84% | 0.838 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 39.8 | -176.3 | -57.4 | -177.8 | 179.3 | 169.7 | 0.7 | 113.1 | A326 E327 C328 | A326-R330 WeakPolarHBondContact O-CA 3.19Å; A326-R330 PolarHBondContact O-N 2.93Å; E327-R330 PolarHBondContact O-N 3.11Å; C328-R330 VanDerWaalsContact C-N 3.26Å; C328-R330 PolarHBondContact O-N 3.19Å |
| 331 | K | 86.9 | Confident | 86.8 | Confident | 107 Ų | 107 | 50.3 Ų | 50.3 | 47% | 0.465 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -122 | 150.9 | 177.2 | -76.8 | -174.4 | 175.3 | -168.9 | 0 | 110 | A326 V329 E335 V336 | A326-K331 CarbonylContact C-O 3.59Å; A326-K331 WeakPolarHBondContact CA-O 3.42Å; A326-K331 VanDerWaalsContact CB-O 3.31Å; A326-K331 WeakPolarHBondContact CB-O 3.45Å; A326-K331 PolarHBondContact O-N 3.23Å; A326-K331 VanDerWaalsContact O-O 3.07Å; V329-K331 HydrophobicContact CG1-CB 4.33Å; V329-K331 HydrophobicContact CG1-CD 3.87Å; V329-K331 HydrophobicContact CG1-CG 4.03Å; V329-K331 PolarHBondContact O-N 2.96Å; K331-E335 HydrophobicContact CB-CB 4.36Å; K331-E335 HydrophobicContact CD-CB 4.39Å; K331-E335 WeakPolarHBondContact CD-OE2 3.43Å; K331-V336 HydrophobicContact CB-CG1 4.28Å |
| 332 | P | 88.5 | Confident | 86.5 | Confident | 66 Ų | 66 | 50.3 Ų | 50.3 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | trans | -61.5 | 149.9 | 173 | 28.1 | -34.7 | 0 | 0 | 0 | 110.3 | S334 E335 | P332-S334 PolarHBondContact O-N 3.02Å; P332-E335 WeakPolarHBondContact CD-OE1 3.45Å; P332-E335 HydrophobicContact CG-CB 4.34Å; P332-E335 HydrophobicContact CG-CG 3.91Å; P332-E335 VanDerWaalsContact CG-OE1 3.29Å; P332-E335 WeakPolarHBondContact CG-OE1 3.44Å; P332-E335 PolarHBondContact O-N 3.15Å | ||
| 333 | V | 86.4 | Confident | 86.3 | Confident | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -52.3 | -28.8 | 178.2 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | T244 V248 L322 A326 E335 V336 V337 | T244-V333 HydrophobicContact CG2-CG2 4.31Å; V248-V333 HydrophobicContact CB-CG1 4.5Å; V248-V333 HydrophobicContact CG1-CB 4.48Å; V248-V333 HydrophobicContact CG1-CG1 4.2Å; V248-V333 HydrophobicContact CG2-CB 4.14Å; V248-V333 HydrophobicContact CG2-CG2 4.1Å; L322-V333 HydrophobicContact CB-CG1 4.46Å; A326-V333 HydrophobicContact CB-CB 4.47Å; A326-V333 HydrophobicContact CB-CG2 3.68Å; V333-E335 VanDerWaalsContact C-N 3.3Å; V333-E335 PolarHBondContact O-N 3.14Å; V333-V336 VanDerWaalsContact O-CG2 3.28Å; V333-V336 WeakPolarHBondContact O-CG2 3.43Å; V333-V336 PolarHBondContact O-N 3.15Å; V333-V337 HydrophobicContact CG1-CG2 4.02Å; V333-V337 VanDerWaalsContact O-CG2 3.24Å; V333-V337 WeakPolarHBondContact O-CG2 3.4Å; V333-V337 PolarHBondContact O-N 3.41Å |
| 334 | S | 84.1 | Confident | 86.2 | Confident | 62 Ų | 62 | 50 Ų | 50 | 43% | 0.434 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.9 | -28.5 | 178 | 51.7 | 0 | 0 | 0 | 0 | 115.8 | Y44 P332 | Y44-S334 WeakPolarHBondContact OH-CA 3.14Å; Y44-S334 WeakPolarHBondContact OH-CB 3.25Å; P332-S334 PolarHBondContact O-N 3.02Å |
| 335 | E | 83.9 | Confident | 86.2 | Confident | 121 Ų | 121 | 49.4 Ų | 49.4 | 57% | 0.565 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -88.7 | -18.7 | -178.7 | -74.6 | 177 | -142.5 | 0 | 0 | 112.6 | K331 P332 V333 | K331-E335 HydrophobicContact CB-CB 4.36Å; K331-E335 HydrophobicContact CD-CB 4.39Å; K331-E335 WeakPolarHBondContact CD-OE2 3.43Å; P332-E335 WeakPolarHBondContact CD-OE1 3.45Å; P332-E335 HydrophobicContact CG-CB 4.34Å; P332-E335 HydrophobicContact CG-CG 3.91Å; P332-E335 VanDerWaalsContact CG-OE1 3.29Å; P332-E335 WeakPolarHBondContact CG-OE1 3.44Å; P332-E335 PolarHBondContact O-N 3.15Å; V333-E335 VanDerWaalsContact C-N 3.3Å; V333-E335 PolarHBondContact O-N 3.14Å |
| 336 | V | 85.4 | Confident | 86.2 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -94.8 | -16.6 | -179.8 | -58.1 | 0 | 0 | 0 | 0 | 112.9 | L325 A326 K331 V333 V347 | L325-V336 HydrophobicContact CD2-CB 4.1Å; L325-V336 HydrophobicContact CD2-CG2 4.5Å; L325-V336 HydrophobicContact CG-CB 4.38Å; L325-V336 HydrophobicContact CG-CG1 4.41Å; A326-V336 HydrophobicContact CB-CG2 4.27Å; K331-V336 HydrophobicContact CB-CG1 4.28Å; V333-V336 VanDerWaalsContact O-CG2 3.28Å; V333-V336 WeakPolarHBondContact O-CG2 3.43Å; V333-V336 PolarHBondContact O-N 3.15Å; V336-V347 VanDerWaalsContact O-CG1 3.24Å; V336-V347 WeakPolarHBondContact O-CG1 3.27Å; V336-V347 WeakPolarHBondContact O-CG2 3.26Å |
| 337 | V | 81.9 | Confident | 86.2 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 13% | 0.127 | 27% | 0.267 | C | S | . | . | trans | -80.1 | 123.9 | 179.2 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | Y41 Y44 L322 V333 | Y41-V337 HydrophobicContact CD2-CG1 4.24Å; Y44-V337 HydrophobicContact CD1-CB 4.07Å; Y44-V337 HydrophobicContact CD1-CG1 3.55Å; Y44-V337 HydrophobicContact CD1-CG2 4.4Å; Y44-V337 HydrophobicContact CD2-CG2 4.42Å; Y44-V337 HydrophobicContact CE1-CB 4.07Å; Y44-V337 HydrophobicContact CE1-CG1 3.98Å; Y44-V337 HydrophobicContact CG-CG1 4.09Å; Y44-V337 HydrophobicContact CG-CG2 4.35Å; L322-V337 HydrophobicContact CD1-CG2 3.79Å; L322-V337 HydrophobicContact CD2-CG2 4.42Å; V333-V337 HydrophobicContact CG1-CG2 4.02Å; V333-V337 VanDerWaalsContact O-CG2 3.24Å; V333-V337 WeakPolarHBondContact O-CG2 3.4Å; V333-V337 PolarHBondContact O-N 3.41Å | ||
| 338 | Q | 80.7 | Confident | 86.2 | Confident | 69 Ų | 69 | 46.1 Ų | 46.1 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | trans | -106.1 | 160.1 | 171.3 | -66.4 | -171.7 | -0.1 | 0 | 0 | 111.9 | Y41 G342 Q346 V347 | Y41-Q338 WeakPolarHBondContact CD2-O 3.5Å; Q338-G342 PolarHBondContact OE1-O 2.99Å; Q338-Q346 VanDerWaalsContact OE1-OE1 3.09Å; Q338-V347 HydrophobicContact CB-CG2 3.69Å; Q338-V347 HydrophobicContact CG-CG2 3.6Å | ||
| 339 | S | 76.1 | Confident | 86.5 | Confident | 74 Ų | 74 | 43.9 Ų | 43.9 | 52% | 0.517 | 23% | 0.232 | S | C | . | . | trans | -81.8 | 143.2 | 179.7 | 55.4 | 0 | 0 | 0 | 0 | 114 | Y41 V341 G342 | Y41-S339 VanDerWaalsContact CZ-CB 3.45Å; Y41-S339 WeakPolarHBondContact OH-CB 3.3Å; S339-V341 PolarHBondContact O-N 3.22Å; S339-G342 PolarHBondContact O-N 2.96Å; S339-G342 VanDerWaalsContact O-N 3.15Å | ||
| 340 | G | 75.4 | Confident | 86.7 | Confident | 29 Ų | 29 | 42.1 Ų | 42.1 | 30% | 0.299 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | -125.6 | 168 | 0 | 0 | 0 | 0 | 0 | 113.1 | G342 L343 | G340-G342 PolarHBondContact O-N 3.31Å; G340-L343 WeakPolarHBondContact O-CB 3.49Å; G340-L343 PolarHBondContact O-N 3.35Å |
| 341 | V | 85.4 | Confident | 87 | Confident | 30 Ų | 30 | 31.6 Ų | 31.6 | 18% | 0.182 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -26.7 | -178.2 | -51.4 | 0 | 0 | 0 | 0 | 113.5 | W37 W115 W171 S339 L343 V344 F345 L416 | W37-V341 HydrophobicContact CE3-CG1 4.49Å; W37-V341 HydrophobicContact CH2-CB 4.22Å; W37-V341 HydrophobicContact CH2-CG1 3.51Å; W37-V341 HydrophobicContact CZ2-CG1 4.34Å; W37-V341 HydrophobicContact CZ3-CB 3.8Å; W37-V341 HydrophobicContact CZ3-CG1 3.61Å; W115-V341 HydrophobicContact CZ3-CG1 4.47Å; W171-V341 HydrophobicContact CZ2-CG2 4.31Å; S339-V341 PolarHBondContact O-N 3.22Å; V341-L343 PolarHBondContact O-N 2.88Å; V341-V344 PolarHBondContact O-N 2.95Å; V341-V344 VanDerWaalsContact O-N 3.13Å; V341-F345 HydrophobicContact CB-CD2 4.22Å; V341-F345 WeakPolarHBondContact O-CD2 3.49Å; V341-F345 PolarHBondContact O-N 3.36Å; V341-L416 HydrophobicContact CG1-CD2 4.03Å |
| 342 | G | 86.7 | Confident | 87.2 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.3 | -31.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q338 S339 G340 V344 Q346 V347 | Q338-G342 PolarHBondContact OE1-O 2.99Å; S339-G342 PolarHBondContact O-N 2.96Å; S339-G342 VanDerWaalsContact O-N 3.15Å; G340-G342 PolarHBondContact O-N 3.31Å; G342-V344 VanDerWaalsContact C-N 3.32Å; G342-V344 PolarHBondContact O-N 3.38Å; G342-Q346 WeakPolarHBondContact O-CA 3.24Å; G342-Q346 VanDerWaalsContact O-CB 3.32Å; G342-Q346 WeakPolarHBondContact O-CB 3.31Å; G342-Q346 PolarHBondContact O-N 2.91Å; G342-V347 PolarHBondContact O-N 2.81Å |
| 343 | L | 87.6 | Confident | 87.3 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -58.4 | -46.1 | 174.2 | -174.7 | 63.9 | 0 | 0 | 0 | 111.2 | W37 V318 L322 G340 V341 V347 Y348 | W37-L343 HydrophobicContact CB-CD2 4.43Å; W37-L343 WeakPolarHBondContact O-CD2 3.34Å; V318-L343 HydrophobicContact CG1-CD2 4.22Å; L322-L343 HydrophobicContact CD1-CD1 4.32Å; L322-L343 HydrophobicContact CD2-CD1 4.15Å; G340-L343 WeakPolarHBondContact O-CB 3.49Å; G340-L343 PolarHBondContact O-N 3.35Å; V341-L343 PolarHBondContact O-N 2.88Å; L343-V347 HydrophobicContact CD1-CB 4.2Å; L343-V347 HydrophobicContact CD1-CG1 4.38Å; L343-V347 HydrophobicContact CD1-CG2 4.41Å; L343-V347 WeakPolarHBondContact O-CB 3.41Å; L343-V347 PolarHBondContact O-N 3.46Å; L343-Y348 WeakPolarHBondContact O-CD2 3.45Å; L343-Y348 PolarHBondContact O-N 3.06Å |
| 344 | V | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -81.2 | -37 | -175.7 | 168.3 | 0 | 0 | 0 | 0 | 112.9 | W37 V341 G342 Y348 P349 F365 F366 I369 | W37-V344 HydrophobicContact CB-CG2 3.51Å; W37-V344 HydrophobicContact CD2-CG2 4.02Å; W37-V344 HydrophobicContact CE3-CB 3.69Å; W37-V344 HydrophobicContact CE3-CG1 4.43Å; W37-V344 HydrophobicContact CE3-CG2 3.34Å; W37-V344 HydrophobicContact CG-CG2 4.16Å; W37-V344 HydrophobicContact CZ3-CB 4.14Å; W37-V344 HydrophobicContact CZ3-CG2 4.22Å; V341-V344 PolarHBondContact O-N 2.95Å; V341-V344 VanDerWaalsContact O-N 3.13Å; G342-V344 VanDerWaalsContact C-N 3.32Å; G342-V344 PolarHBondContact O-N 3.38Å; V344-Y348 WeakPolarHBondContact O-CB 3.29Å; V344-P349 WeakPolarHBondContact O-CD 3.29Å; V344-F365 HydrophobicContact CB-CZ 4.37Å; V344-F365 HydrophobicContact CG1-CE1 3.81Å; V344-F365 HydrophobicContact CG1-CZ 3.92Å; V344-F365 HydrophobicContact CG2-CZ 4.14Å; V344-F366 HydrophobicContact CG1-CE1 4.38Å; V344-I369 HydrophobicContact CG1-CD1 4.4Å; V344-I369 HydrophobicContact CG1-CG1 4.13Å; V344-I369 HydrophobicContact CG1-CG2 4.4Å |
| 345 | F | 93 | Very high | 87.8 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -104.4 | -8 | -171.8 | -65.1 | -69.8 | 0 | 0 | 0 | 115.1 | W37 I112 W115 Y119 W171 V341 P349 F366 | W37-F345 HydrophobicContact CZ3-CE2 4.06Å; I112-F345 HydrophobicContact CG2-CE2 4.05Å; I112-F345 HydrophobicContact CG2-CZ 4.01Å; W115-F345 HydrophobicContact CB-CD1 4.48Å; W115-F345 HydrophobicContact CB-CE1 3.76Å; W115-F345 HydrophobicContact CB-CE2 4.38Å; W115-F345 HydrophobicContact CB-CZ 3.7Å; W115-F345 HydrophobicContact CE3-CD2 4.19Å; W115-F345 AromaticContact CE3-CE2 3.73Å; W115-F345 HydrophobicContact CE3-CE2 3.73Å; W115-F345 HydrophobicContact CE3-CZ 4.18Å; W115-F345 HydrophobicContact CZ3-CE2 4.46Å; Y119-F345 AromaticContact CD2-CD1 3.65Å; Y119-F345 HydrophobicContact CD2-CD1 3.65Å; Y119-F345 AromaticContact CD2-CE1 3.94Å; Y119-F345 HydrophobicContact CD2-CE1 3.94Å; Y119-F345 HydrophobicContact CE2-CB 4.29Å; Y119-F345 AromaticContact CE2-CD1 3.38Å; Y119-F345 HydrophobicContact CE2-CD1 3.38Å; Y119-F345 HydrophobicContact CE2-CE1 4.1Å; Y119-F345 HydrophobicContact CE2-CG 4.24Å; Y119-F345 PolarHBondContact OH-O 3.39Å; W171-F345 HydrophobicContact CD2-CB 4.03Å; W171-F345 HydrophobicContact CE3-CB 3.45Å; W171-F345 VanDerWaalsContact CE3-CB 3.45Å; W171-F345 HydrophobicContact CE3-CG 4.06Å; W171-F345 HydrophobicContact CH2-CB 3.58Å; W171-F345 HydrophobicContact CH2-CD1 4.38Å; W171-F345 AromaticContact CH2-CD2 3.55Å; W171-F345 HydrophobicContact CH2-CD2 3.55Å; W171-F345 HydrophobicContact CH2-CE2 4.32Å; W171-F345 AromaticContact CH2-CG 3.58Å; W171-F345 HydrophobicContact CH2-CG 3.58Å; W171-F345 HydrophobicContact CZ2-CB 4.18Å; W171-F345 HydrophobicContact CZ2-CD2 4.46Å; W171-F345 HydrophobicContact CZ3-CB 3.2Å; W171-F345 AromaticContact CZ3-CD1 3.76Å; W171-F345 HydrophobicContact CZ3-CD1 3.76Å; W171-F345 AromaticContact CZ3-CD2 3.79Å; W171-F345 HydrophobicContact CZ3-CD2 3.79Å; W171-F345 AromaticContact CZ3-CG 3.31Å; W171-F345 HydrophobicContact CZ3-CG 3.31Å; V341-F345 HydrophobicContact CB-CD2 4.22Å; V341-F345 WeakPolarHBondContact O-CD2 3.49Å; V341-F345 PolarHBondContact O-N 3.36Å; F345-P349 WeakPolarHBondContact O-CG 3.42Å; F345-F366 AromaticContact CD1-CE1 3.64Å; F345-F366 HydrophobicContact CD1-CE1 3.64Å; F345-F366 HydrophobicContact CD1-CZ 4.31Å; F345-F366 HydrophobicContact CE1-CD1 4.18Å; F345-F366 AromaticContact CE1-CE1 3.67Å; F345-F366 HydrophobicContact CE1-CE1 3.67Å |
| 346 | Q | 91.7 | Very high | 88.1 | Confident | 22 Ų | 22 | 22 Ų | 22 | 10% | 0.103 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -119.6 | -55.8 | 172.9 | -56.5 | 179.6 | 47.7 | 0 | 0 | 110.7 | V167 W171 Q338 G342 E350 | V167-Q346 HydrophobicContact CG1-CB 4.41Å; V167-Q346 VanDerWaalsContact CG1-O 3.25Å; V167-Q346 WeakPolarHBondContact CG1-O 3.46Å; W171-Q346 HydrophobicContact CB-CG 4.23Å; W171-Q346 HydrophobicContact CG-CG 4.02Å; Q338-Q346 VanDerWaalsContact OE1-OE1 3.09Å; G342-Q346 WeakPolarHBondContact O-CA 3.24Å; G342-Q346 VanDerWaalsContact O-CB 3.32Å; G342-Q346 WeakPolarHBondContact O-CB 3.31Å; G342-Q346 PolarHBondContact O-N 2.91Å; Q346-E350 WeakPolarHBondContact O-CB 3.28Å; Q346-E350 PolarHBondContact O-N 3.39Å; Q346-E350 VanDerWaalsContact O-N 3.13Å |
| 347 | V | 91.6 | Very high | 88.4 | Confident | 6 Ų | 6 | 26.2 Ų | 26.2 | 4% | 0.036 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -70.3 | -42.9 | -172.5 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | L322 L325 V336 Q338 G342 L343 E350 A351 | L322-V347 HydrophobicContact CD2-CB 4.48Å; L322-V347 HydrophobicContact CD2-CG1 3.27Å; L325-V347 HydrophobicContact CD2-CG1 3.53Å; V336-V347 VanDerWaalsContact O-CG1 3.24Å; V336-V347 WeakPolarHBondContact O-CG1 3.27Å; V336-V347 WeakPolarHBondContact O-CG2 3.26Å; Q338-V347 HydrophobicContact CB-CG2 3.69Å; Q338-V347 HydrophobicContact CG-CG2 3.6Å; G342-V347 PolarHBondContact O-N 2.81Å; L343-V347 HydrophobicContact CD1-CB 4.2Å; L343-V347 HydrophobicContact CD1-CG1 4.38Å; L343-V347 HydrophobicContact CD1-CG2 4.41Å; L343-V347 WeakPolarHBondContact O-CB 3.41Å; L343-V347 PolarHBondContact O-N 3.46Å; V347-E350 WeakPolarHBondContact O-CB 2.89Å; V347-E350 PolarHBondContact O-N 3.2Å; V347-A351 PolarHBondContact O-N 3.01Å |
| 348 | Y | 91.6 | Very high | 88.9 | Confident | 8 Ų | 8 | 25.4 Ų | 25.4 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.9 | -48.7 | 177.8 | -100 | -77.7 | 0 | 0 | 0 | 113.7 | V318 I321 L343 V344 E350 A351 V352 F365 | V318-Y348 WeakPolarHBondContact CA-OH 3.24Å; V318-Y348 HydrophobicContact CB-CE2 4.43Å; V318-Y348 WeakPolarHBondContact CB-OH 3.24Å; V318-Y348 HydrophobicContact CG1-CE2 3.89Å; V318-Y348 HydrophobicContact CG2-CE2 4.09Å; V318-Y348 WeakPolarHBondContact CG2-OH 3.35Å; I321-Y348 HydrophobicContact CB-CE1 4.45Å; I321-Y348 HydrophobicContact CD1-CE1 3.69Å; I321-Y348 HydrophobicContact CG2-CD1 4.33Å; I321-Y348 HydrophobicContact CG2-CE1 4.15Å; L343-Y348 WeakPolarHBondContact O-CD2 3.45Å; L343-Y348 PolarHBondContact O-N 3.06Å; V344-Y348 WeakPolarHBondContact O-CB 3.29Å; Y348-E350 PolarHBondContact O-N 3.5Å; Y348-A351 WeakPolarHBondContact O-CB 3.49Å; Y348-A351 PolarHBondContact O-N 3.3Å; Y348-V352 PolarHBondContact O-N 3.23Å; Y348-F365 HydrophobicContact CD1-CD1 4.42Å; Y348-F365 HydrophobicContact CD1-CD2 4.06Å; Y348-F365 HydrophobicContact CD1-CE1 4.08Å; Y348-F365 AromaticContact CD1-CE2 3.7Å; Y348-F365 HydrophobicContact CD1-CE2 3.7Å; Y348-F365 HydrophobicContact CD1-CG 4.39Å; Y348-F365 AromaticContact CD1-CZ 3.7Å; Y348-F365 HydrophobicContact CD1-CZ 3.7Å; Y348-F365 HydrophobicContact CD2-CE1 4.23Å; Y348-F365 HydrophobicContact CD2-CE2 4.01Å; Y348-F365 AromaticContact CD2-CZ 3.5Å; Y348-F365 HydrophobicContact CD2-CZ 3.5Å; Y348-F365 AromaticContact CE1-CD2 3.98Å; Y348-F365 HydrophobicContact CE1-CD2 3.98Å; Y348-F365 AromaticContact CE1-CE2 3.58Å; Y348-F365 HydrophobicContact CE1-CE2 3.58Å; Y348-F365 HydrophobicContact CE1-CZ 4.01Å; Y348-F365 AromaticContact CE2-CE2 3.9Å; Y348-F365 HydrophobicContact CE2-CE2 3.9Å; Y348-F365 AromaticContact CE2-CZ 3.84Å; Y348-F365 HydrophobicContact CE2-CZ 3.84Å; Y348-F365 HydrophobicContact CG-CD1 4.47Å; Y348-F365 AromaticContact CG-CE1 3.75Å; Y348-F365 HydrophobicContact CG-CE1 3.75Å; Y348-F365 AromaticContact CG-CE2 3.88Å; Y348-F365 HydrophobicContact CG-CE2 3.88Å; Y348-F365 AromaticContact CG-CZ 3.4Å; Y348-F365 HydrophobicContact CG-CZ 3.4Å; Y348-F365 VanDerWaalsContact CG-CZ 3.4Å; Y348-F365 AromaticContact CZ-CE2 3.66Å |
| 349 | P | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -53.5 | -39 | 171.6 | -36.2 | 42.6 | 0 | 0 | 0 | 113.8 | Y119 W130 V167 V344 F345 V352 R353 F366 | Y119-P349 HydrophobicContact CD1-CG 4.41Å; Y119-P349 HydrophobicContact CE1-CB 4.34Å; Y119-P349 HydrophobicContact CE1-CG 3.83Å; W130-P349 PolarHBondContact NE1-O 3.36Å; V167-P349 HydrophobicContact CG1-CB 3.77Å; V167-P349 HydrophobicContact CG2-CB 4.27Å; V344-P349 WeakPolarHBondContact O-CD 3.29Å; F345-P349 WeakPolarHBondContact O-CG 3.42Å; P349-V352 WeakPolarHBondContact O-CG2 3.28Å; P349-R353 PolarHBondContact O-N 3.34Å; P349-F366 HydrophobicContact CG-CE2 4.06Å; P349-F366 HydrophobicContact CG-CZ 3.59Å |
| 350 | E | 91.7 | Very high | 90.4 | Very high | 20 Ų | 20 | 24.9 Ų | 24.9 | 9% | 0.093 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.5 | -38.8 | 174.9 | -173 | 70.5 | -178.1 | 0 | 0 | 111.8 | V167 L325 Q346 V347 Y348 R353 L354 | V167-E350 HydrophobicContact CG2-CB 4.21Å; V167-E350 WeakPolarHBondContact CG2-OE2 3.46Å; L325-E350 HydrophobicContact CD1-CB 4.42Å; L325-E350 HydrophobicContact CD1-CG 3.68Å; L325-E350 HydrophobicContact CD2-CB 4.45Å; L325-E350 HydrophobicContact CD2-CG 4.33Å; Q346-E350 WeakPolarHBondContact O-CB 3.28Å; Q346-E350 PolarHBondContact O-N 3.39Å; Q346-E350 VanDerWaalsContact O-N 3.13Å; V347-E350 WeakPolarHBondContact O-CB 2.89Å; V347-E350 PolarHBondContact O-N 3.2Å; Y348-E350 PolarHBondContact O-N 3.5Å; E350-R353 WeakPolarHBondContact O-CG 3.03Å; E350-R353 IonicContact OE1-CZ 3.16Å; E350-R353 IonicContact OE1-NE 3.69Å; E350-R353 PolarHBondContact OE1-NE 2.86Å; E350-R353 IonicContact OE1-NH2 2.66Å; E350-R353 PolarHBondContact OE1-NH2 3.21Å; E350-R353 IonicContact OE2-CZ 2.81Å; E350-R353 IonicContact OE2-NE 3.37Å; E350-R353 PolarHBondContact OE2-NE 2.86Å; E350-R353 IonicContact OE2-NH2 3.71Å; E350-L354 WeakPolarHBondContact O-CG 3.36Å |
| 351 | A | 92.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.2 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I321 L325 V347 Y348 R353 L354 M355 | I321-A351 HydrophobicContact CG2-CB 3.36Å; L325-A351 HydrophobicContact CB-CB 4.16Å; L325-A351 HydrophobicContact CD2-CB 4.39Å; V347-A351 PolarHBondContact O-N 3.01Å; Y348-A351 WeakPolarHBondContact O-CB 3.49Å; Y348-A351 PolarHBondContact O-N 3.3Å; A351-R353 PolarHBondContact O-N 3.12Å; A351-L354 PolarHBondContact O-N 3.43Å; A351-M355 HydrophobicContact CB-CE 4.28Å; A351-M355 WeakPolarHBondContact O-CG 3.38Å |
| 352 | V | 92.7 | Very high | 91.7 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.024 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72.1 | -26.4 | -177.3 | -60 | 0 | 0 | 0 | 0 | 113 | L128 Y348 P349 L354 M355 G358 W361 | L128-V352 HydrophobicContact CD1-CG2 4.3Å; Y348-V352 PolarHBondContact O-N 3.23Å; P349-V352 WeakPolarHBondContact O-CG2 3.28Å; V352-L354 PolarHBondContact O-N 3.44Å; V352-M355 HydrophobicContact CG1-CE 4.32Å; V352-M355 PolarHBondContact O-N 2.86Å; V352-G358 WeakPolarHBondContact O-CA 3.43Å; V352-W361 HydrophobicContact CB-CB 4.36Å; V352-W361 HydrophobicContact CG1-CB 4.13Å |
| 353 | R | 90.8 | Very high | 92.2 | Very high | 22 Ų | 22 | 25.1 Ų | 25.1 | 8% | 0.083 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.1 | -26.6 | 173.9 | 75.8 | 167.9 | -173.5 | 78.7 | 4.3 | 112.5 | L128 E145 P349 E350 A351 | L128-R353 HydrophobicContact CD1-CB 4.23Å; E145-R353 IonicContact OE2-CZ 2.88Å; E145-R353 IonicContact OE2-NH1 3.74Å; E145-R353 PolarHBondContact OE2-NH1 3.14Å; E145-R353 IonicContact OE2-NH2 3.23Å; P349-R353 PolarHBondContact O-N 3.34Å; E350-R353 WeakPolarHBondContact O-CG 3.03Å; E350-R353 IonicContact OE1-CZ 3.16Å; E350-R353 IonicContact OE1-NE 3.69Å; E350-R353 PolarHBondContact OE1-NE 2.86Å; E350-R353 IonicContact OE1-NH2 2.66Å; E350-R353 PolarHBondContact OE1-NH2 3.21Å; E350-R353 IonicContact OE2-CZ 2.81Å; E350-R353 IonicContact OE2-NE 3.37Å; E350-R353 PolarHBondContact OE2-NE 2.86Å; E350-R353 IonicContact OE2-NH2 3.71Å; A351-R353 PolarHBondContact O-N 3.12Å |
| 354 | L | 89.9 | Confident | 92.5 | Very high | 36 Ų | 36 | 26.6 Ų | 26.6 | 19% | 0.188 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -12.8 | 179.3 | -63 | 171.5 | 0 | 0 | 0 | 112.7 | E145 L325 C328 E350 A351 V352 | E145-L354 WeakPolarHBondContact OE2-CD2 3.23Å; L325-L354 HydrophobicContact CD1-CD1 3.59Å; C328-L354 HydrophobicContact CB-CD1 3.72Å; E350-L354 WeakPolarHBondContact O-CG 3.36Å; A351-L354 PolarHBondContact O-N 3.43Å; V352-L354 PolarHBondContact O-N 3.44Å |
| 355 | M | 90.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 26.7 Ų | 26.7 | 5% | 0.049 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -83.3 | 146.1 | 178.9 | -62.3 | -175.2 | -156 | 0 | 0 | 111.4 | R235 L239 I321 A351 V352 V357 G358 W361 | R235-M355 HydrophobicContact CG-SD 4.41Å; L239-M355 HydrophobicContact CD1-CE 3.48Å; L239-M355 VanDerWaalsContact CD1-CE 3.48Å; L239-M355 HydrophobicContact CD1-CG 4.42Å; L239-M355 HydrophobicContact CD1-SD 3.88Å; L239-M355 HydrophobicContact CD2-CG 4.14Å; L239-M355 HydrophobicContact CD2-SD 4.3Å; I321-M355 HydrophobicContact CG1-CE 4.2Å; I321-M355 HydrophobicContact CG2-CE 3.77Å; A351-M355 HydrophobicContact CB-CE 4.28Å; A351-M355 WeakPolarHBondContact O-CG 3.38Å; V352-M355 HydrophobicContact CG1-CE 4.32Å; V352-M355 PolarHBondContact O-N 2.86Å; M355-V357 PolarHBondContact O-N 3.41Å; M355-G358 PolarHBondContact O-N 3.26Å; M355-W361 HydrophobicContact SD-CG 4.3Å |
| 356 | P | 89.6 | Confident | 92.7 | Very high | 87 Ų | 87 | 26.7 Ų | 26.7 | 57% | 0.565 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 134.6 | 166.8 | 25.5 | -35.5 | 0 | 0 | 0 | 110.1 | R235 W361 | R235-P356 VanDerWaalsContact NH2-CD 3.28Å; P356-W361 PolarHBondContact O-NE1 3.23Å |
| 357 | V | 91.6 | Very high | 92.8 | Very high | 106 Ų | 106 | 27.2 Ų | 27.2 | 64% | 0.642 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 43.6 | -175.8 | -156.3 | 0 | 0 | 0 | 0 | 112.1 | M355 P359 F360 | M355-V357 PolarHBondContact O-N 3.41Å; V357-P359 VanDerWaalsContact C-CD 3.41Å; V357-P359 VanDerWaalsContact C-N 3.34Å; V357-F360 HydrophobicContact CB-CB 4.44Å; V357-F360 HydrophobicContact CG1-CB 3.73Å; V357-F360 WeakPolarHBondContact O-CB 3.18Å; V357-F360 PolarHBondContact O-N 3.03Å |
| 358 | G | 92.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -44.4 | -44.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | V352 M355 F360 W361 S362 | V352-G358 WeakPolarHBondContact O-CA 3.43Å; M355-G358 PolarHBondContact O-N 3.26Å; G358-F360 VanDerWaalsContact C-N 3.26Å; G358-F360 PolarHBondContact O-N 2.92Å; G358-W361 PolarHBondContact O-N 3.04Å; G358-S362 WeakPolarHBondContact O-CB 3.43Å; G358-S362 PolarHBondContact O-N 3.47Å |
| 359 | P | 94.3 | Very high | 92.9 | Very high | 30 Ų | 30 | 26.8 Ų | 26.8 | 20% | 0.195 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -52.9 | -38.7 | 175.6 | -29.8 | 36.2 | 0 | 0 | 0 | 114.8 | S123 V126 L128 V357 T363 | S123-P359 WeakPolarHBondContact O-CB 3.44Å; V126-P359 WeakPolarHBondContact O-CG 3.08Å; L128-P359 HydrophobicContact CD2-CB 4.22Å; L128-P359 HydrophobicContact CD2-CG 4.11Å; L128-P359 HydrophobicContact CG-CG 4.03Å; V357-P359 VanDerWaalsContact C-CD 3.41Å; V357-P359 VanDerWaalsContact C-N 3.34Å; P359-T363 WeakPolarHBondContact O-CB 2.89Å; P359-T363 PolarHBondContact O-N 3.02Å; P359-T363 PolarHBondContact O-OG1 3.29Å |
| 360 | F | 94.5 | Very high | 92.9 | Very high | 102 Ų | 102 | 28.9 Ų | 28.9 | 45% | 0.447 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.9 | -50.7 | 178.5 | 172.2 | -102.7 | 0 | 0 | 0 | 111.3 | V357 G358 S362 T363 L364 | V357-F360 HydrophobicContact CB-CB 4.44Å; V357-F360 HydrophobicContact CG1-CB 3.73Å; V357-F360 WeakPolarHBondContact O-CB 3.18Å; V357-F360 PolarHBondContact O-N 3.03Å; G358-F360 VanDerWaalsContact C-N 3.26Å; G358-F360 PolarHBondContact O-N 2.92Å; F360-S362 PolarHBondContact O-N 2.83Å; F360-T363 PolarHBondContact O-N 3.16Å; F360-L364 HydrophobicContact CD1-CD1 4.3Å; F360-L364 HydrophobicContact CE1-CD1 3.64Å; F360-L364 HydrophobicContact CE2-CD1 4.13Å; F360-L364 HydrophobicContact CE2-CG 4.39Å; F360-L364 HydrophobicContact CZ-CD1 3.55Å; F360-L364 HydrophobicContact CZ-CG 4.29Å; F360-L364 WeakPolarHBondContact O-CG 3.32Å; F360-L364 PolarHBondContact O-N 2.88Å; F360-L364 VanDerWaalsContact O-N 3.1Å |
| 361 | W | 94.4 | Very high | 92.8 | Very high | 38 Ų | 38 | 29.6 Ų | 29.6 | 14% | 0.144 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -40.2 | -179.9 | -59.8 | 111.5 | 0 | 0 | 0 | 112.3 | I231 L232 R235 V352 M355 P356 G358 L364 F365 | I231-W361 HydrophobicContact CG2-CZ3 3.97Å; L232-W361 HydrophobicContact CD2-CE3 4.48Å; R235-W361 HydrophobicContact CB-CE3 4.17Å; R235-W361 HydrophobicContact CB-CH2 3.73Å; R235-W361 HydrophobicContact CB-CZ2 4.42Å; R235-W361 HydrophobicContact CB-CZ3 3.58Å; R235-W361 VanDerWaalsContact CD-CZ2 3.4Å; R235-W361 HydrophobicContact CG-CD2 3.99Å; R235-W361 HydrophobicContact CG-CE3 3.8Å; R235-W361 HydrophobicContact CG-CH2 3.55Å; R235-W361 HydrophobicContact CG-CZ2 3.74Å; R235-W361 HydrophobicContact CG-CZ3 3.58Å; V352-W361 HydrophobicContact CB-CB 4.36Å; V352-W361 HydrophobicContact CG1-CB 4.13Å; M355-W361 HydrophobicContact SD-CG 4.3Å; P356-W361 PolarHBondContact O-NE1 3.23Å; G358-W361 PolarHBondContact O-N 3.04Å; W361-L364 HydrophobicContact CE3-CD1 4.42Å; W361-L364 PolarHBondContact O-N 3.36Å; W361-F365 WeakPolarHBondContact O-CB 3.27Å; W361-F365 PolarHBondContact O-N 2.96Å |
| 362 | S | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.6 | -48.8 | 174.2 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | S123 W130 G358 F360 L364 F365 F366 | S123-S362 WeakPolarHBondContact OG-CB 3.31Å; S123-S362 PolarHBondContact OG-OG 3.32Å; W130-S362 VanDerWaalsContact CZ2-OG 3.3Å; W130-S362 WeakPolarHBondContact CZ2-OG 3.16Å; G358-S362 WeakPolarHBondContact O-CB 3.43Å; G358-S362 PolarHBondContact O-N 3.47Å; F360-S362 PolarHBondContact O-N 2.83Å; S362-L364 PolarHBondContact O-N 2.97Å; S362-F365 PolarHBondContact O-N 3.36Å; S362-F366 VanDerWaalsContact O-CD2 3.24Å; S362-F366 WeakPolarHBondContact O-CD2 3.43Å; S362-F366 PolarHBondContact O-N 2.8Å; S362-F366 WeakPolarHBondContact OG-CD2 3.46Å |
| 363 | T | 95.3 | Very high | 92.3 | Very high | 29 Ų | 29 | 29.5 Ų | 29.5 | 18% | 0.178 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 179.6 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | S123 F124 P359 F360 S367 | S123-T363 VanDerWaalsContact CB-OG1 3.3Å; S123-T363 WeakPolarHBondContact CB-OG1 3.45Å; F124-T363 HydrophobicContact CE1-CG2 3.97Å; P359-T363 WeakPolarHBondContact O-CB 2.89Å; P359-T363 PolarHBondContact O-N 3.02Å; P359-T363 PolarHBondContact O-OG1 3.29Å; F360-T363 PolarHBondContact O-N 3.16Å; T363-S367 WeakPolarHBondContact O-CB 3.42Å; T363-S367 PolarHBondContact O-N 2.9Å; T363-S367 PolarHBondContact O-OG 3.41Å |
| 364 | L | 94.3 | Very high | 92.1 | Very high | 33 Ų | 33 | 29 Ų | 29 | 17% | 0.173 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 178.3 | -67.8 | -175.2 | 0 | 0 | 0 | 112.2 | L228 I231 F360 W361 S362 S367 M368 | L228-L364 HydrophobicContact CD2-CB 4.25Å; L228-L364 HydrophobicContact CD2-CD2 3.83Å; L228-L364 HydrophobicContact CD2-CG 4.49Å; I231-L364 HydrophobicContact CG2-CD1 4.12Å; F360-L364 HydrophobicContact CD1-CD1 4.3Å; F360-L364 HydrophobicContact CE1-CD1 3.64Å; F360-L364 HydrophobicContact CE2-CD1 4.13Å; F360-L364 HydrophobicContact CE2-CG 4.39Å; F360-L364 HydrophobicContact CZ-CD1 3.55Å; F360-L364 HydrophobicContact CZ-CG 4.29Å; F360-L364 WeakPolarHBondContact O-CG 3.32Å; F360-L364 PolarHBondContact O-N 2.88Å; F360-L364 VanDerWaalsContact O-N 3.1Å; W361-L364 HydrophobicContact CE3-CD1 4.42Å; W361-L364 PolarHBondContact O-N 3.36Å; S362-L364 PolarHBondContact O-N 2.97Å; L364-S367 PolarHBondContact O-N 3.22Å; L364-M368 PolarHBondContact O-N 3.38Å |
| 365 | F | 93.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -52 | -179.9 | 176.2 | -105.7 | 0 | 0 | 0 | 111.7 | L232 V344 Y348 W361 S362 S367 M368 I369 | L232-F365 HydrophobicContact CD1-CB 4.35Å; L232-F365 HydrophobicContact CD1-CD2 3.9Å; V344-F365 HydrophobicContact CB-CZ 4.37Å; V344-F365 HydrophobicContact CG1-CE1 3.81Å; V344-F365 HydrophobicContact CG1-CZ 3.92Å; V344-F365 HydrophobicContact CG2-CZ 4.14Å; Y348-F365 HydrophobicContact CD1-CD1 4.42Å; Y348-F365 HydrophobicContact CD1-CD2 4.06Å; Y348-F365 HydrophobicContact CD1-CE1 4.08Å; Y348-F365 AromaticContact CD1-CE2 3.7Å; Y348-F365 HydrophobicContact CD1-CE2 3.7Å; Y348-F365 HydrophobicContact CD1-CG 4.39Å; Y348-F365 AromaticContact CD1-CZ 3.7Å; Y348-F365 HydrophobicContact CD1-CZ 3.7Å; Y348-F365 HydrophobicContact CD2-CE1 4.23Å; Y348-F365 HydrophobicContact CD2-CE2 4.01Å; Y348-F365 AromaticContact CD2-CZ 3.5Å; Y348-F365 HydrophobicContact CD2-CZ 3.5Å; Y348-F365 AromaticContact CE1-CD2 3.98Å; Y348-F365 HydrophobicContact CE1-CD2 3.98Å; Y348-F365 AromaticContact CE1-CE2 3.58Å; Y348-F365 HydrophobicContact CE1-CE2 3.58Å; Y348-F365 HydrophobicContact CE1-CZ 4.01Å; Y348-F365 AromaticContact CE2-CE2 3.9Å; Y348-F365 HydrophobicContact CE2-CE2 3.9Å; Y348-F365 AromaticContact CE2-CZ 3.84Å; Y348-F365 HydrophobicContact CE2-CZ 3.84Å; Y348-F365 HydrophobicContact CG-CD1 4.47Å; Y348-F365 AromaticContact CG-CE1 3.75Å; Y348-F365 HydrophobicContact CG-CE1 3.75Å; Y348-F365 AromaticContact CG-CE2 3.88Å; Y348-F365 HydrophobicContact CG-CE2 3.88Å; Y348-F365 AromaticContact CG-CZ 3.4Å; Y348-F365 HydrophobicContact CG-CZ 3.4Å; Y348-F365 VanDerWaalsContact CG-CZ 3.4Å; Y348-F365 AromaticContact CZ-CE2 3.66Å; W361-F365 WeakPolarHBondContact O-CB 3.27Å; W361-F365 PolarHBondContact O-N 2.96Å; S362-F365 PolarHBondContact O-N 3.36Å; F365-S367 VanDerWaalsContact C-N 3.3Å; F365-S367 PolarHBondContact O-N 3.46Å; F365-M368 HydrophobicContact CD2-CE 4.06Å; F365-M368 HydrophobicContact CE2-CE 4.15Å; F365-M368 VanDerWaalsContact O-CB 3.29Å; F365-M368 WeakPolarHBondContact O-CB 3.49Å; F365-M368 PolarHBondContact O-N 2.93Å; F365-M368 VanDerWaalsContact O-N 3.09Å; F365-I369 HydrophobicContact CE1-CG1 4.14Å; F365-I369 HydrophobicContact CE2-CD1 4.24Å; F365-I369 HydrophobicContact CE2-CG1 4.3Å; F365-I369 HydrophobicContact CZ-CD1 4.15Å; F365-I369 HydrophobicContact CZ-CG1 4.03Å; F365-I369 WeakPolarHBondContact O-CG1 3.25Å; F365-I369 PolarHBondContact O-N 3.09Å |
| 366 | F | 95.2 | Very high | 91 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.2 | -27.9 | -180 | -72.4 | -65.4 | 0 | 0 | 0 | 113.1 | Y119 I120 V344 F345 P349 S362 I369 F370 | Y119-F366 HydrophobicContact CD1-CD2 4.19Å; Y119-F366 HydrophobicContact CD1-CE1 4.1Å; Y119-F366 AromaticContact CD1-CE2 3.4Å; Y119-F366 HydrophobicContact CD1-CE2 3.4Å; Y119-F366 AromaticContact CD1-CZ 3.34Å; Y119-F366 HydrophobicContact CD1-CZ 3.34Å; Y119-F366 HydrophobicContact CD2-CE1 4.05Å; Y119-F366 HydrophobicContact CD2-CZ 4.09Å; Y119-F366 HydrophobicContact CE1-CE2 4.24Å; Y119-F366 AromaticContact CE1-CZ 3.88Å; Y119-F366 HydrophobicContact CE1-CZ 3.88Å; Y119-F366 HydrophobicContact CG-CD1 4.17Å; Y119-F366 HydrophobicContact CG-CD2 4.13Å; Y119-F366 AromaticContact CG-CE1 3.76Å; Y119-F366 HydrophobicContact CG-CE1 3.76Å; Y119-F366 AromaticContact CG-CE2 3.7Å; Y119-F366 HydrophobicContact CG-CE2 3.7Å; Y119-F366 HydrophobicContact CG-CG 4.34Å; Y119-F366 AromaticContact CG-CZ 3.48Å; Y119-F366 HydrophobicContact CG-CZ 3.48Å; Y119-F366 VanDerWaalsContact CG-CZ 3.48Å; I120-F366 HydrophobicContact CD1-CB 4.46Å; I120-F366 HydrophobicContact CG1-CB 3.66Å; V344-F366 HydrophobicContact CG1-CE1 4.38Å; F345-F366 AromaticContact CD1-CE1 3.64Å; F345-F366 HydrophobicContact CD1-CE1 3.64Å; F345-F366 HydrophobicContact CD1-CZ 4.31Å; F345-F366 HydrophobicContact CE1-CD1 4.18Å; F345-F366 AromaticContact CE1-CE1 3.67Å; F345-F366 HydrophobicContact CE1-CE1 3.67Å; P349-F366 HydrophobicContact CG-CE2 4.06Å; P349-F366 HydrophobicContact CG-CZ 3.59Å; S362-F366 VanDerWaalsContact O-CD2 3.24Å; S362-F366 WeakPolarHBondContact O-CD2 3.43Å; S362-F366 PolarHBondContact O-N 2.8Å; S362-F366 WeakPolarHBondContact OG-CD2 3.46Å; F366-I369 PolarHBondContact O-N 3.49Å; F366-F370 VanDerWaalsContact O-CB 3.23Å; F366-F370 WeakPolarHBondContact O-CB 3.41Å; F366-F370 PolarHBondContact O-N 3.46Å |
| 367 | S | 94.2 | Very high | 90.6 | Very high | 33 Ų | 33 | 23.1 Ų | 23.1 | 23% | 0.231 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 169 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | T363 L364 F365 F370 I371 | T363-S367 WeakPolarHBondContact O-CB 3.42Å; T363-S367 PolarHBondContact O-N 2.9Å; T363-S367 PolarHBondContact O-OG 3.41Å; L364-S367 PolarHBondContact O-N 3.22Å; F365-S367 VanDerWaalsContact C-N 3.3Å; F365-S367 PolarHBondContact O-N 3.46Å; S367-F370 PolarHBondContact O-N 3.35Å; S367-I371 WeakPolarHBondContact O-CB 3.33Å; S367-I371 WeakPolarHBondContact O-CD1 3.19Å; S367-I371 WeakPolarHBondContact O-CG1 3.41Å; S367-I371 PolarHBondContact O-N 3.44Å |
| 368 | M | 93 | Very high | 90 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.015 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.8 | -51 | 174.5 | -174.4 | -176 | 68.2 | 0 | 0 | 111.2 | V36 P225 L228 L229 L232 L364 F365 F370 I371 L372 | V36-M368 HydrophobicContact CG1-CE 3.67Å; V36-M368 HydrophobicContact CG2-CE 4.19Å; P225-M368 HydrophobicContact CB-CG 4.12Å; L228-M368 HydrophobicContact CB-CB 4.08Å; L228-M368 HydrophobicContact CB-CG 4.16Å; L228-M368 HydrophobicContact CB-SD 4.18Å; L228-M368 HydrophobicContact CD1-CB 3.68Å; L228-M368 HydrophobicContact CD1-CG 4.33Å; L229-M368 HydrophobicContact CB-SD 4.2Å; L229-M368 HydrophobicContact CD1-SD 4.45Å; L232-M368 HydrophobicContact CD1-CE 3.97Å; L232-M368 HydrophobicContact CD1-SD 4.14Å; L364-M368 PolarHBondContact O-N 3.38Å; F365-M368 HydrophobicContact CD2-CE 4.06Å; F365-M368 HydrophobicContact CE2-CE 4.15Å; F365-M368 VanDerWaalsContact O-CB 3.29Å; F365-M368 WeakPolarHBondContact O-CB 3.49Å; F365-M368 PolarHBondContact O-N 2.93Å; F365-M368 VanDerWaalsContact O-N 3.09Å; M368-F370 VanDerWaalsContact C-N 3.32Å; M368-F370 PolarHBondContact O-N 2.91Å; M368-I371 PolarHBondContact O-N 3.47Å; M368-L372 HydrophobicContact CG-CD1 4.1Å; M368-L372 WeakPolarHBondContact O-CB 3.06Å; M368-L372 VanDerWaalsContact O-CG 3.3Å; M368-L372 WeakPolarHBondContact O-CG 3.25Å; M368-L372 PolarHBondContact O-N 2.92Å |
| 369 | I | 92.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 178.8 | -59 | -57.6 | 0 | 0 | 0 | 110.9 | L33 V36 I112 S116 V344 F365 F366 L372 G373 | L33-I369 HydrophobicContact CD2-CB 4.36Å; L33-I369 HydrophobicContact CD2-CD1 4.21Å; L33-I369 HydrophobicContact CD2-CG2 3.54Å; V36-I369 HydrophobicContact CB-CD1 4.47Å; V36-I369 HydrophobicContact CG1-CD1 3.95Å; I112-I369 HydrophobicContact CG2-CG2 4.24Å; S116-I369 WeakPolarHBondContact OG-CG2 3.18Å; V344-I369 HydrophobicContact CG1-CD1 4.4Å; V344-I369 HydrophobicContact CG1-CG1 4.13Å; V344-I369 HydrophobicContact CG1-CG2 4.4Å; F365-I369 HydrophobicContact CE1-CG1 4.14Å; F365-I369 HydrophobicContact CE2-CD1 4.24Å; F365-I369 HydrophobicContact CE2-CG1 4.3Å; F365-I369 HydrophobicContact CZ-CD1 4.15Å; F365-I369 HydrophobicContact CZ-CG1 4.03Å; F365-I369 WeakPolarHBondContact O-CG1 3.25Å; F365-I369 PolarHBondContact O-N 3.09Å; F366-I369 PolarHBondContact O-N 3.49Å; I369-L372 PolarHBondContact O-N 3.06Å; I369-G373 PolarHBondContact O-N 2.91Å |
| 370 | F | 93.2 | Very high | 88 | Confident | 45 Ų | 45 | 17.8 Ų | 17.8 | 20% | 0.197 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.1 | -49.6 | 176.4 | 177.5 | -106.1 | 0 | 0 | 0 | 112 | S113 L117 I120 V199 F366 S367 M368 G373 I374 | S113-F370 WeakPolarHBondContact O-CD2 3.42Å; L117-F370 HydrophobicContact CB-CD2 4Å; L117-F370 HydrophobicContact CB-CE2 4.01Å; L117-F370 HydrophobicContact CD1-CE2 4.23Å; L117-F370 HydrophobicContact CD1-CZ 4.39Å; L117-F370 HydrophobicContact CD2-CE2 4.08Å; L117-F370 HydrophobicContact CD2-CZ 4.48Å; L117-F370 HydrophobicContact CG-CE2 4.34Å; I120-F370 HydrophobicContact CD1-CB 3.94Å; I120-F370 HydrophobicContact CD1-CG 4.29Å; V199-F370 HydrophobicContact CG2-CE2 3.96Å; F366-F370 VanDerWaalsContact O-CB 3.23Å; F366-F370 WeakPolarHBondContact O-CB 3.41Å; F366-F370 PolarHBondContact O-N 3.46Å; S367-F370 PolarHBondContact O-N 3.35Å; M368-F370 VanDerWaalsContact C-N 3.32Å; M368-F370 PolarHBondContact O-N 2.91Å; F370-G373 PolarHBondContact O-N 3.28Å; F370-I374 HydrophobicContact CD1-CG1 4.35Å; F370-I374 HydrophobicContact CD2-CG1 4.38Å; F370-I374 HydrophobicContact CE1-CG1 3.93Å; F370-I374 HydrophobicContact CE2-CD1 4.09Å; F370-I374 HydrophobicContact CE2-CG1 3.97Å; F370-I374 HydrophobicContact CZ-CD1 3.91Å; F370-I374 HydrophobicContact CZ-CG1 3.72Å; F370-I374 WeakPolarHBondContact O-CG1 3.49Å; F370-I374 PolarHBondContact O-N 3.5Å |
| 371 | I | 91.1 | Very high | 87.1 | Confident | 35 Ų | 35 | 13 Ų | 13 | 18% | 0.179 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 179.5 | -68.6 | 165.8 | 0 | 0 | 0 | 110.9 | C221 V224 P225 S367 M368 G373 I374 D375 | C221-I371 HydrophobicContact CB-CG2 4.08Å; V224-I371 HydrophobicContact CB-CD1 4.24Å; V224-I371 HydrophobicContact CG1-CD1 3.55Å; P225-I371 HydrophobicContact CG-CB 4.39Å; P225-I371 HydrophobicContact CG-CG2 3.72Å; S367-I371 WeakPolarHBondContact O-CB 3.33Å; S367-I371 WeakPolarHBondContact O-CD1 3.19Å; S367-I371 WeakPolarHBondContact O-CG1 3.41Å; S367-I371 PolarHBondContact O-N 3.44Å; M368-I371 PolarHBondContact O-N 3.47Å; I371-G373 VanDerWaalsContact C-N 3.28Å; I371-G373 PolarHBondContact O-N 3.18Å; I371-I374 PolarHBondContact O-N 3.22Å; I371-D375 WeakPolarHBondContact O-CB 3.5Å; I371-D375 PolarHBondContact O-N 2.9Å |
| 372 | L | 88.2 | Confident | 86 | Confident | 2 Ų | 2 | 11.4 Ų | 11.4 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.5 | -39.1 | 177.6 | -72 | 174.7 | 0 | 0 | 0 | 112.3 | I31 L33 V36 P225 M368 I369 S376 | I31-L372 HydrophobicContact CB-CD2 4.45Å; I31-L372 HydrophobicContact CG2-CD2 3.7Å; L33-L372 HydrophobicContact CD2-CB 4.22Å; V36-L372 HydrophobicContact CG2-CD1 3.73Å; P225-L372 HydrophobicContact CB-CD2 3.66Å; P225-L372 HydrophobicContact CB-CG 4.03Å; P225-L372 HydrophobicContact CG-CD2 3.72Å; P225-L372 HydrophobicContact CG-CG 4.06Å; M368-L372 HydrophobicContact CG-CD1 4.1Å; M368-L372 WeakPolarHBondContact O-CB 3.06Å; M368-L372 VanDerWaalsContact O-CG 3.3Å; M368-L372 WeakPolarHBondContact O-CG 3.25Å; M368-L372 PolarHBondContact O-N 2.92Å; I369-L372 PolarHBondContact O-N 3.06Å; L372-S376 PolarHBondContact O-N 3.44Å; L372-S376 PolarHBondContact O-OG 3.31Å; L372-S376 VanDerWaalsContact O-OG 3.11Å |
| 373 | G | 86 | Confident | 84.7 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.2 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S113 I369 F370 I371 Q377 | S113-G373 VanDerWaalsContact OG-CA 3.27Å; S113-G373 WeakPolarHBondContact OG-CA 3.06Å; I369-G373 PolarHBondContact O-N 2.91Å; F370-G373 PolarHBondContact O-N 3.28Å; I371-G373 VanDerWaalsContact C-N 3.28Å; I371-G373 PolarHBondContact O-N 3.18Å; G373-Q377 VanDerWaalsContact C-NE2 3.29Å; G373-Q377 WeakPolarHBondContact O-CB 3.36Å; G373-Q377 WeakPolarHBondContact O-CG 3.36Å; G373-Q377 PolarHBondContact O-N 3.42Å; G373-Q377 PolarHBondContact O-NE2 3.47Å |
| 374 | I | 85.5 | Confident | 83.4 | Confident | 11 Ų | 11 | 15.4 Ų | 15.4 | 6% | 0.056 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 175.5 | -68.8 | -70.7 | 0 | 0 | 0 | 111 | V199 I206 F370 I371 Q377 V378 | V199-I374 HydrophobicContact CG1-CD1 3.74Å; I206-I374 HydrophobicContact CD1-CG2 4.06Å; F370-I374 HydrophobicContact CD1-CG1 4.35Å; F370-I374 HydrophobicContact CD2-CG1 4.38Å; F370-I374 HydrophobicContact CE1-CG1 3.93Å; F370-I374 HydrophobicContact CE2-CD1 4.09Å; F370-I374 HydrophobicContact CE2-CG1 3.97Å; F370-I374 HydrophobicContact CZ-CD1 3.91Å; F370-I374 HydrophobicContact CZ-CG1 3.72Å; F370-I374 WeakPolarHBondContact O-CG1 3.49Å; F370-I374 PolarHBondContact O-N 3.5Å; I371-I374 PolarHBondContact O-N 3.22Å; I374-Q377 WeakPolarHBondContact O-CA 3.49Å; I374-Q377 WeakPolarHBondContact O-CB 3.37Å; I374-Q377 PolarHBondContact O-N 2.99Å; I374-V378 HydrophobicContact CG2-CG2 4.02Å; I374-V378 VanDerWaalsContact O-CG2 3.26Å; I374-V378 WeakPolarHBondContact O-CG2 3.46Å; I374-V378 PolarHBondContact O-N 2.87Å |
| 375 | D | 79.6 | Confident | 81.9 | Confident | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.011 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.1 | -54.4 | -179.7 | -166.2 | 5.4 | 0 | 0 | 0 | 111.3 | A28 F218 C221 I371 Q377 V378 G379 | A28-D375 WeakPolarHBondContact CB-OD2 3.24Å; A28-D375 VanDerWaalsContact O-OD2 3.12Å; F218-D375 VanDerWaalsContact CD1-OD1 3.29Å; F218-D375 WeakPolarHBondContact CD1-OD1 3.49Å; C221-D375 HydrophobicContact CB-CB 3.81Å; I371-D375 WeakPolarHBondContact O-CB 3.5Å; I371-D375 PolarHBondContact O-N 2.9Å; D375-Q377 PolarHBondContact O-N 3.26Å; D375-Q377 VanDerWaalsContact O-N 3.16Å; D375-V378 PolarHBondContact O-N 3.42Å; D375-G379 PolarHBondContact O-N 3.18Å |
| 376 | S | 78.4 | Confident | 80.2 | Confident | 8 Ų | 8 | 20.1 Ų | 20.1 | 6% | 0.056 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -55.1 | -37.7 | 174.9 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | L372 L380 | L372-S376 PolarHBondContact O-N 3.44Å; L372-S376 PolarHBondContact O-OG 3.31Å; L372-S376 VanDerWaalsContact O-OG 3.11Å; S376-L380 WeakPolarHBondContact O-CB 3.21Å; S376-L380 WeakPolarHBondContact O-CD1 3.05Å; S376-L380 WeakPolarHBondContact O-CG 3.37Å; S376-L380 PolarHBondContact O-N 2.95Å; S376-L380 VanDerWaalsContact O-N 3.07Å |
| 377 | Q | 80.6 | Confident | 78.4 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.8 | -45.2 | -179.9 | -76.3 | 167.2 | 69.6 | 0 | 0 | 114.3 | N106 C110 S113 G373 I374 D375 T381 | N106-Q377 WeakPolarHBondContact ND2-CA 3.44Å; N106-Q377 PolarHBondContact ND2-O 3.38Å; C110-Q377 HydrophobicContact CB-CG 4.46Å; C110-Q377 PolarHBondContact SG-OE1 3.32Å; S113-Q377 PolarHBondContact OG-NE2 2.75Å; G373-Q377 VanDerWaalsContact C-NE2 3.29Å; G373-Q377 WeakPolarHBondContact O-CB 3.36Å; G373-Q377 WeakPolarHBondContact O-CG 3.36Å; G373-Q377 PolarHBondContact O-N 3.42Å; G373-Q377 PolarHBondContact O-NE2 3.47Å; I374-Q377 WeakPolarHBondContact O-CA 3.49Å; I374-Q377 WeakPolarHBondContact O-CB 3.37Å; I374-Q377 PolarHBondContact O-N 2.99Å; D375-Q377 PolarHBondContact O-N 3.26Å; D375-Q377 VanDerWaalsContact O-N 3.16Å; Q377-T381 WeakPolarHBondContact O-CB 3.48Å; Q377-T381 PolarHBondContact O-N 2.92Å; Q377-T381 VanDerWaalsContact O-N 3.12Å; Q377-T381 PolarHBondContact O-OG1 2.86Å |
| 378 | V | 79.1 | Confident | 76.6 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.6 | -42.9 | 178.8 | 178 | 0 | 0 | 0 | 0 | 109.2 | T203 I206 L207 F218 I374 D375 T381 A382 | T203-V378 HydrophobicContact CG2-CG2 4.1Å; I206-V378 HydrophobicContact CB-CG2 4.41Å; I206-V378 HydrophobicContact CD1-CG2 4.06Å; I206-V378 HydrophobicContact CG2-CG1 3.72Å; I206-V378 HydrophobicContact CG2-CG2 4.05Å; L207-V378 HydrophobicContact CD2-CG1 3.53Å; L207-V378 HydrophobicContact CG-CG1 3.99Å; F218-V378 HydrophobicContact CD1-CG1 4.37Å; F218-V378 HydrophobicContact CE1-CB 3.72Å; F218-V378 HydrophobicContact CE1-CG1 3.36Å; F218-V378 HydrophobicContact CE2-CG1 4.42Å; F218-V378 HydrophobicContact CZ-CB 4.14Å; F218-V378 HydrophobicContact CZ-CG1 3.38Å; I374-V378 HydrophobicContact CG2-CG2 4.02Å; I374-V378 VanDerWaalsContact O-CG2 3.26Å; I374-V378 WeakPolarHBondContact O-CG2 3.46Å; I374-V378 PolarHBondContact O-N 2.87Å; D375-V378 PolarHBondContact O-N 3.42Å; V378-T381 PolarHBondContact O-N 2.96Å; V378-A382 VanDerWaalsContact O-CB 3.26Å; V378-A382 WeakPolarHBondContact O-CB 3.44Å; V378-A382 PolarHBondContact O-N 3.06Å |
| 379 | G | 73.1 | Confident | 75.5 | Confident | 18 Ų | 18 | 42 Ų | 42 | 19% | 0.186 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -50.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D375 T381 A382 | D375-G379 PolarHBondContact O-N 3.18Å; G379-T381 VanDerWaalsContact C-N 3.31Å; G379-T381 PolarHBondContact O-N 3.24Å; G379-A382 PolarHBondContact O-N 3.39Å |
| 380 | L | 72.3 | Confident | 75 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.6 | -33 | 179.3 | -66.1 | 169.6 | 0 | 0 | 0 | 112.4 | Y29 S102 N106 S282 S376 K383 | Y29-L380 HydrophobicContact CE2-CD2 4.02Å; Y29-L380 HydrophobicContact CE2-CG 4.49Å; S102-L380 WeakPolarHBondContact OG-CD2 3.11Å; N106-L380 HydrophobicContact CB-CB 4.45Å; N106-L380 HydrophobicContact CB-CD1 3.95Å; S282-L380 VanDerWaalsContact OG-CD2 3.32Å; S282-L380 WeakPolarHBondContact OG-CD2 3.18Å; S376-L380 WeakPolarHBondContact O-CB 3.21Å; S376-L380 WeakPolarHBondContact O-CD1 3.05Å; S376-L380 WeakPolarHBondContact O-CG 3.37Å; S376-L380 PolarHBondContact O-N 2.95Å; S376-L380 VanDerWaalsContact O-N 3.07Å; L380-K383 WeakPolarHBondContact O-CB 3.44Å |
| 381 | T | 75.3 | Confident | 74.6 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -80.4 | -31.9 | 179.6 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | L207 Q377 V378 G379 K383 V384 V396 K400 | L207-T381 HydrophobicContact CD1-CG2 3.59Å; Q377-T381 WeakPolarHBondContact O-CB 3.48Å; Q377-T381 PolarHBondContact O-N 2.92Å; Q377-T381 VanDerWaalsContact O-N 3.12Å; Q377-T381 PolarHBondContact O-OG1 2.86Å; V378-T381 PolarHBondContact O-N 2.96Å; G379-T381 VanDerWaalsContact C-N 3.31Å; G379-T381 PolarHBondContact O-N 3.24Å; T381-K383 PolarHBondContact O-N 3.42Å; T381-K383 VanDerWaalsContact O-N 3.12Å; T381-V384 PolarHBondContact O-N 2.91Å; T381-V396 HydrophobicContact CG2-CG1 4.03Å; T381-K400 PolarHBondContact OG1-NZ 3.38Å |
| 382 | A | 71.5 | Confident | 74.4 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.3 | -24.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L207 I211 V378 G379 V384 M385 | L207-A382 HydrophobicContact CD2-CB 4.1Å; I211-A382 HydrophobicContact CD1-CB 3.95Å; I211-A382 HydrophobicContact CG1-CB 4.29Å; V378-A382 VanDerWaalsContact O-CB 3.26Å; V378-A382 WeakPolarHBondContact O-CB 3.44Å; V378-A382 PolarHBondContact O-N 3.06Å; G379-A382 PolarHBondContact O-N 3.39Å; A382-V384 PolarHBondContact O-N 3.44Å; A382-M385 WeakPolarHBondContact O-CB 3.48Å; A382-M385 WeakPolarHBondContact O-CG 3.4Å; A382-M385 PolarHBondContact O-N 3.02Å |
| 383 | K | 68 | Low | 74.3 | Confident | 39 Ų | 39 | 47.8 Ų | 47.8 | 17% | 0.17 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -29.2 | 175.4 | -176.1 | 175.7 | -179.4 | -176.5 | 0 | 114.1 | S81 Y280 G281 A285 L380 T381 M385 | S81-K383 WeakPolarHBondContact OG-CE 3.26Å; S81-K383 PolarHBondContact OG-NZ 3.44Å; Y280-K383 PolarHBondContact O-NZ 3.42Å; G281-K383 WeakPolarHBondContact O-CE 3.45Å; A285-K383 HydrophobicContact CB-CB 4.5Å; A285-K383 HydrophobicContact CB-CD 4.45Å; A285-K383 HydrophobicContact CB-CG 3.85Å; L380-K383 WeakPolarHBondContact O-CB 3.44Å; T381-K383 PolarHBondContact O-N 3.42Å; T381-K383 VanDerWaalsContact O-N 3.12Å; K383-M385 VanDerWaalsContact C-N 3.32Å; K383-M385 PolarHBondContact O-N 2.86Å |
| 384 | V | 66 | Low | 74.4 | Confident | 74 Ų | 74 | 49.3 Ų | 49.3 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -11.5 | -176.6 | -172.3 | 0 | 0 | 0 | 0 | 112.5 | T381 A382 K386 V392 V396 | T381-V384 PolarHBondContact O-N 2.91Å; A382-V384 PolarHBondContact O-N 3.44Å; V384-K386 VanDerWaalsContact C-N 3.34Å; V384-K386 PolarHBondContact O-N 3.48Å; V384-K386 VanDerWaalsContact O-N 3.13Å; V384-V392 HydrophobicContact CG1-CG1 3.63Å; V384-V396 HydrophobicContact CG1-CG2 4.19Å; V384-V396 HydrophobicContact CG2-CG2 4.48Å |
| 385 | M | 63.2 | Low | 74.7 | Confident | 34 Ų | 34 | 53 Ų | 53 | 17% | 0.167 | 27% | 0.274 | C | S | . | . | trans | -83.1 | 13.6 | -161.7 | -66.5 | -168.8 | 65.4 | 0 | 0 | 117.1 | L207 G210 A382 K383 N387 V393 | L207-M385 HydrophobicContact CB-SD 4.15Å; L207-M385 HydrophobicContact CD2-SD 3.97Å; L207-M385 HydrophobicContact CG-SD 4.49Å; L207-M385 WeakPolarHBondContact O-CE 3.27Å; G210-M385 VanDerWaalsContact CA-CE 3.49Å; A382-M385 WeakPolarHBondContact O-CB 3.48Å; A382-M385 WeakPolarHBondContact O-CG 3.4Å; A382-M385 PolarHBondContact O-N 3.02Å; K383-M385 VanDerWaalsContact C-N 3.32Å; K383-M385 PolarHBondContact O-N 2.86Å; M385-N387 VanDerWaalsContact C-N 3.31Å; M385-N387 PolarHBondContact O-N 3.38Å; M385-N387 VanDerWaalsContact O-N 3.09Å; M385-V393 HydrophobicContact CE-CG2 3.98Å; M385-V393 HydrophobicContact CG-CG2 3.87Å; M385-V393 HydrophobicContact SD-CG2 3.99Å | ||
| 386 | K | 59.5 | Low | 75.1 | Confident | 100 Ų | 100 | 54.3 Ų | 54.3 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -59.8 | -31.2 | -168 | -164.4 | 169.3 | -178.1 | 173.7 | 0 | 114.9 | Q78 V384 | Q78-K386 PolarHBondContact O-NZ 3.49Å; V384-K386 VanDerWaalsContact C-N 3.34Å; V384-K386 PolarHBondContact O-N 3.48Å; V384-K386 VanDerWaalsContact O-N 3.13Å |
| 387 | N | 55.7 | Low | 75.7 | Confident | 148 Ų | 148 | 54.2 Ų | 54.2 | 79% | 0.791 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -154.1 | 11.1 | -173.9 | -84.7 | -36.2 | 0 | 0 | 0 | 117.4 | M385 | M385-N387 VanDerWaalsContact C-N 3.31Å; M385-N387 PolarHBondContact O-N 3.38Å; M385-N387 VanDerWaalsContact O-N 3.09Å |
| 388 | K | 57.5 | Low | 76.3 | Confident | 150 Ų | 150 | 59 Ų | 59 | 65% | 0.652 | 31% | 0.306 | S | S | * | . | trans | -131.3 | 131.1 | -177.1 | -67.7 | -172 | 177.7 | -177.3 | 0 | 113.3 | T390 V392 | K388-T390 PolarHBondContact O-N 3.07Å; K388-V392 HydrophobicContact CB-CB 4.13Å; K388-V392 HydrophobicContact CB-CG2 3.46Å; K388-V392 VanDerWaalsContact CB-CG2 3.46Å; K388-V392 HydrophobicContact CD-CG2 3.75Å; K388-V392 HydrophobicContact CG-CG2 4.22Å | ||
| 389 | K | 69.8 | Low | 76.9 | Confident | 197 Ų | 197 | 62.1 Ų | 62.1 | 86% | 0.857 | 33% | 0.325 | S | S | * | . | trans | -88.6 | 85.4 | -153.9 | -60.3 | 175.6 | 177.9 | 178.9 | 0 | 113.8 | L391 | K389-L391 PolarHBondContact O-N 3.3Š| ||
| 390 | T | 81.5 | Confident | 77.7 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 74.6 | -45.3 | 173.6 | -43.6 | 0 | 0 | 0 | 0 | 115.8 | F204 W208 K388 V392 V393 A394 | F204-T390 HydrophobicContact CE2-CG2 3.92Å; F204-T390 HydrophobicContact CZ-CG2 3.98Å; W208-T390 HydrophobicContact CD2-CG2 3.56Å; W208-T390 HydrophobicContact CE3-CG2 4.02Å; W208-T390 HydrophobicContact CG-CG2 3.83Å; W208-T390 HydrophobicContact CH2-CG2 4.48Å; W208-T390 HydrophobicContact CZ2-CG2 4.09Å; W208-T390 HydrophobicContact CZ3-CG2 4.46Å; W208-T390 PolarHBondContact O-OG1 3.09Å; W208-T390 VanDerWaalsContact O-OG1 3.04Å; K388-T390 PolarHBondContact O-N 3.07Å; T390-V392 PolarHBondContact O-N 3.16Å; T390-V393 WeakPolarHBondContact O-CB 3.43Å; T390-V393 PolarHBondContact O-N 2.88Å; T390-V393 VanDerWaalsContact O-N 3.13Å; T390-A394 PolarHBondContact O-N 3.1Å |
| 391 | L | 85.3 | Confident | 78.8 | Confident | 125 Ų | 125 | 63.4 Ų | 63.4 | 65% | 0.654 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.4 | -41.3 | -179.8 | -180 | 63.1 | 0 | 0 | 0 | 112.9 | K389 V393 A394 I395 | K389-L391 PolarHBondContact O-N 3.3Å; L391-V393 VanDerWaalsContact C-N 3.32Å; L391-V393 PolarHBondContact O-N 2.94Å; L391-A394 WeakPolarHBondContact O-CB 3.32Å; L391-A394 PolarHBondContact O-N 3.01Å; L391-I395 HydrophobicContact CD1-CD1 4.27Å; L391-I395 HydrophobicContact CD1-CG1 4.45Å; L391-I395 HydrophobicContact CG-CD1 4Å; L391-I395 WeakPolarHBondContact O-CG1 3.38Å; L391-I395 PolarHBondContact O-N 3.49Å |
| 392 | V | 85.8 | Confident | 79.7 | Confident | 39 Ų | 39 | 68 Ų | 68 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | V384 K388 T390 A394 I395 V396 | V384-V392 HydrophobicContact CG1-CG1 3.63Å; K388-V392 HydrophobicContact CB-CB 4.13Å; K388-V392 HydrophobicContact CB-CG2 3.46Å; K388-V392 VanDerWaalsContact CB-CG2 3.46Å; K388-V392 HydrophobicContact CD-CG2 3.75Å; K388-V392 HydrophobicContact CG-CG2 4.22Å; T390-V392 PolarHBondContact O-N 3.16Å; V392-A394 VanDerWaalsContact C-N 3.34Å; V392-I395 PolarHBondContact O-N 3.49Å; V392-V396 HydrophobicContact CG1-CG2 4.34Å; V392-V396 WeakPolarHBondContact O-CB 3.23Å; V392-V396 VanDerWaalsContact O-CG2 3.25Å; V392-V396 WeakPolarHBondContact O-CG2 3.17Å; V392-V396 PolarHBondContact O-N 3.46Å |
| 393 | V | 85.9 | Confident | 80.7 | Confident | 6 Ų | 6 | 72 Ų | 72 | 4% | 0.036 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 175.6 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | F204 L207 M385 T390 L391 I395 V396 C397 | F204-V393 HydrophobicContact CD2-CB 4.43Å; F204-V393 HydrophobicContact CD2-CG1 4.01Å; L207-V393 HydrophobicContact CB-CG1 3.78Å; L207-V393 HydrophobicContact CD1-CG1 4.1Å; M385-V393 HydrophobicContact CE-CG2 3.98Å; M385-V393 HydrophobicContact CG-CG2 3.87Å; M385-V393 HydrophobicContact SD-CG2 3.99Å; T390-V393 WeakPolarHBondContact O-CB 3.43Å; T390-V393 PolarHBondContact O-N 2.88Å; T390-V393 VanDerWaalsContact O-N 3.13Å; L391-V393 VanDerWaalsContact C-N 3.32Å; L391-V393 PolarHBondContact O-N 2.94Å; V393-I395 PolarHBondContact O-N 2.8Å; V393-V396 PolarHBondContact O-N 3.14Å; V393-C397 WeakPolarHBondContact O-CB 3.48Å; V393-C397 PolarHBondContact O-N 2.91Å; V393-C397 PolarHBondContact O-SG 3.24Å; V393-C397 VanDerWaalsContact O-SG 3.32Å |
| 394 | A | 89.4 | Confident | 81.8 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | F204 T390 L391 V392 V396 C397 L398 | F204-A394 HydrophobicContact CD2-CB 4.21Å; F204-A394 HydrophobicContact CE2-CB 3.55Å; F204-A394 HydrophobicContact CZ-CB 3.93Å; T390-A394 PolarHBondContact O-N 3.1Å; L391-A394 WeakPolarHBondContact O-CB 3.32Å; L391-A394 PolarHBondContact O-N 3.01Å; V392-A394 VanDerWaalsContact C-N 3.34Å; A394-V396 PolarHBondContact O-N 3.31Å; A394-C397 PolarHBondContact O-N 3.37Å; A394-L398 VanDerWaalsContact O-CB 3.27Å; A394-L398 WeakPolarHBondContact O-CB 3.04Å; A394-L398 PolarHBondContact O-N 2.97Å |
| 395 | I | 90.7 | Very high | 83.2 | Confident | 90 Ų | 90 | 68.4 Ų | 68.4 | 46% | 0.462 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 178.1 | -67.3 | 166.2 | 0 | 0 | 0 | 111 | L391 V392 V393 L398 T399 | L391-I395 HydrophobicContact CD1-CD1 4.27Å; L391-I395 HydrophobicContact CD1-CG1 4.45Å; L391-I395 HydrophobicContact CG-CD1 4Å; L391-I395 WeakPolarHBondContact O-CG1 3.38Å; L391-I395 PolarHBondContact O-N 3.49Å; V392-I395 PolarHBondContact O-N 3.49Å; V393-I395 PolarHBondContact O-N 2.8Å; I395-L398 PolarHBondContact O-N 3.34Å; I395-T399 WeakPolarHBondContact O-CB 3.42Å; I395-T399 PolarHBondContact O-N 3.45Å; I395-T399 PolarHBondContact O-OG1 2.85Å |
| 396 | V | 88.4 | Confident | 84.5 | Confident | 28 Ų | 28 | 69.2 Ų | 69.2 | 17% | 0.17 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.5 | -47 | 178.5 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | T381 V384 V392 V393 A394 L398 T399 K400 | T381-V396 HydrophobicContact CG2-CG1 4.03Å; V384-V396 HydrophobicContact CG1-CG2 4.19Å; V384-V396 HydrophobicContact CG2-CG2 4.48Å; V392-V396 HydrophobicContact CG1-CG2 4.34Å; V392-V396 WeakPolarHBondContact O-CB 3.23Å; V392-V396 VanDerWaalsContact O-CG2 3.25Å; V392-V396 WeakPolarHBondContact O-CG2 3.17Å; V392-V396 PolarHBondContact O-N 3.46Å; V393-V396 PolarHBondContact O-N 3.14Å; A394-V396 PolarHBondContact O-N 3.31Å; V396-L398 VanDerWaalsContact C-N 3.33Å; V396-L398 PolarHBondContact O-N 3.13Å; V396-T399 PolarHBondContact O-N 3.33Å; V396-K400 HydrophobicContact CG1-CD 4.09Å; V396-K400 HydrophobicContact CG1-CG 4.46Å; V396-K400 WeakPolarHBondContact O-CB 3.32Å; V396-K400 VanDerWaalsContact O-CG 3.31Å; V396-K400 WeakPolarHBondContact O-CG 3.46Å; V396-K400 PolarHBondContact O-N 3.36Å |
| 397 | C | 91 | Very high | 86.1 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 5% | 0.047 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 176 | -70 | 0 | 0 | 0 | 0 | 111.3 | W200 F204 V393 A394 K400 F401 | W200-C397 HydrophobicContact CE3-CB 3.83Å; W200-C397 HydrophobicContact CZ3-CB 4.39Å; F204-C397 HydrophobicContact CB-CB 4.46Å; V393-C397 WeakPolarHBondContact O-CB 3.48Å; V393-C397 PolarHBondContact O-N 2.91Å; V393-C397 PolarHBondContact O-SG 3.24Å; V393-C397 VanDerWaalsContact O-SG 3.32Å; A394-C397 PolarHBondContact O-N 3.37Å; C397-K400 PolarHBondContact O-N 3.37Å; C397-F401 VanDerWaalsContact O-CB 3.27Å; C397-F401 WeakPolarHBondContact O-CB 3.29Å; C397-F401 PolarHBondContact O-N 3.18Å |
| 398 | L | 93.3 | Very high | 87.9 | Confident | 99 Ų | 99 | 57.7 Ų | 57.7 | 52% | 0.518 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 177.1 | -178.9 | 62.6 | 0 | 0 | 0 | 111.8 | A394 I395 V396 K400 F401 L402 | A394-L398 VanDerWaalsContact O-CB 3.27Å; A394-L398 WeakPolarHBondContact O-CB 3.04Å; A394-L398 PolarHBondContact O-N 2.97Å; I395-L398 PolarHBondContact O-N 3.34Å; V396-L398 VanDerWaalsContact C-N 3.33Å; V396-L398 PolarHBondContact O-N 3.13Å; L398-K400 VanDerWaalsContact C-N 3.34Å; L398-K400 PolarHBondContact O-N 2.91Å; L398-F401 HydrophobicContact CD1-CD1 4.31Å; L398-F401 WeakPolarHBondContact O-CB 3.24Å; L398-F401 PolarHBondContact O-N 3.4Å; L398-L402 HydrophobicContact CG-CD1 4.4Å; L398-L402 VanDerWaalsContact O-CG 3.3Å; L398-L402 WeakPolarHBondContact O-CG 3.46Å; L398-L402 PolarHBondContact O-N 3.02Å |
| 399 | T | 92.1 | Very high | 89.7 | Confident | 69 Ų | 69 | 50.7 Ų | 50.7 | 42% | 0.423 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 178.2 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | I395 V396 L402 L403 | I395-T399 WeakPolarHBondContact O-CB 3.42Å; I395-T399 PolarHBondContact O-N 3.45Å; I395-T399 PolarHBondContact O-OG1 2.85Å; V396-T399 PolarHBondContact O-N 3.33Å; T399-L402 PolarHBondContact O-N 2.89Å; T399-L403 HydrophobicContact CG2-CD1 4.16Å; T399-L403 VanDerWaalsContact O-CG 3.31Å; T399-L403 WeakPolarHBondContact O-CG 3.19Å; T399-L403 PolarHBondContact O-N 2.83Å |
| 400 | K | 90.2 | Very high | 90.8 | Very high | 14 Ų | 14 | 44.1 Ų | 44.1 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.6 | -32.9 | 180 | -65.7 | -177.9 | -179.9 | 179.5 | 0 | 112.9 | N106 W200 T381 V396 C397 L398 L403 G404 | N106-K400 WeakPolarHBondContact OD1-CD 3.15Å; N106-K400 WeakPolarHBondContact OD1-CE 3.47Å; N106-K400 PolarHBondContact OD1-NZ 3.22Å; W200-K400 HydrophobicContact CH2-CB 3.27Å; W200-K400 HydrophobicContact CH2-CD 3.38Å; W200-K400 HydrophobicContact CH2-CG 4Å; W200-K400 HydrophobicContact CZ2-CB 3.33Å; W200-K400 HydrophobicContact CZ2-CD 4.2Å; W200-K400 HydrophobicContact CZ2-CG 4.44Å; W200-K400 HydrophobicContact CZ3-CB 3.9Å; W200-K400 HydrophobicContact CZ3-CD 3.91Å; T381-K400 PolarHBondContact OG1-NZ 3.38Å; V396-K400 HydrophobicContact CG1-CD 4.09Å; V396-K400 HydrophobicContact CG1-CG 4.46Å; V396-K400 WeakPolarHBondContact O-CB 3.32Å; V396-K400 VanDerWaalsContact O-CG 3.31Å; V396-K400 WeakPolarHBondContact O-CG 3.46Å; V396-K400 PolarHBondContact O-N 3.36Å; C397-K400 PolarHBondContact O-N 3.37Å; L398-K400 VanDerWaalsContact C-N 3.34Å; L398-K400 PolarHBondContact O-N 2.91Å; K400-L403 PolarHBondContact O-N 3.49Å; K400-G404 PolarHBondContact O-N 3.41Å |
| 401 | F | 94.1 | Very high | 91.2 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57 | -51.5 | 168.5 | 168.5 | -103.8 | 0 | 0 | 0 | 110.8 | L193 L196 A197 W200 C397 L398 L403 G404 I405 | L193-F401 HydrophobicContact CD1-CE2 4.31Å; L193-F401 HydrophobicContact CD1-CZ 4.1Å; L196-F401 HydrophobicContact CB-CE2 4.39Å; L196-F401 HydrophobicContact CD2-CD2 4.08Å; L196-F401 HydrophobicContact CD2-CE2 4.09Å; L196-F401 HydrophobicContact CG-CD2 3.91Å; L196-F401 HydrophobicContact CG-CE2 4.04Å; A197-F401 HydrophobicContact CB-CD2 4.48Å; A197-F401 HydrophobicContact CB-CE2 3.73Å; A197-F401 HydrophobicContact CB-CZ 4.16Å; W200-F401 HydrophobicContact CB-CB 4.34Å; W200-F401 AromaticContact CD1-CD2 3.72Å; W200-F401 HydrophobicContact CD2-CB 4.37Å; W200-F401 HydrophobicContact CG-CB 3.84Å; W200-F401 HydrophobicContact CG-CD2 4.35Å; C397-F401 VanDerWaalsContact O-CB 3.27Å; C397-F401 WeakPolarHBondContact O-CB 3.29Å; C397-F401 PolarHBondContact O-N 3.18Å; L398-F401 HydrophobicContact CD1-CD1 4.31Å; L398-F401 WeakPolarHBondContact O-CB 3.24Å; L398-F401 PolarHBondContact O-N 3.4Å; F401-L403 VanDerWaalsContact C-N 3.34Å; F401-L403 PolarHBondContact O-N 3.3Å; F401-G404 PolarHBondContact O-N 2.93Å; F401-I405 HydrophobicContact CE1-CD1 4.17Å; F401-I405 HydrophobicContact CZ-CD1 4.43Å; F401-I405 WeakPolarHBondContact O-CG1 3.45Å; F401-I405 PolarHBondContact O-N 3.34Å |
| 402 | L | 95.4 | Very high | 91.4 | Very high | 98 Ų | 98 | 36.6 Ų | 36.6 | 51% | 0.513 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 178.5 | -67.3 | 173.5 | 0 | 0 | 0 | 112.2 | L398 T399 G404 I405 | L398-L402 HydrophobicContact CG-CD1 4.4Å; L398-L402 VanDerWaalsContact O-CG 3.3Å; L398-L402 WeakPolarHBondContact O-CG 3.46Å; L398-L402 PolarHBondContact O-N 3.02Å; T399-L402 PolarHBondContact O-N 2.89Å; L402-G404 PolarHBondContact O-N 3.45Å; L402-I405 HydrophobicContact CD2-CD1 3.94Å; L402-I405 PolarHBondContact O-N 2.89Å |
| 403 | L | 91.8 | Very high | 91.6 | Very high | 88 Ų | 88 | 36 Ų | 36 | 46% | 0.461 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68 | -21.9 | 175.8 | -67.7 | 173.2 | 0 | 0 | 0 | 113.4 | I107 T399 K400 F401 P406 | I107-L403 HydrophobicContact CD1-CB 3.71Å; I107-L403 HydrophobicContact CD1-CD1 3.91Å; I107-L403 HydrophobicContact CD1-CG 4.45Å; I107-L403 HydrophobicContact CG1-CB 4.25Å; T399-L403 HydrophobicContact CG2-CD1 4.16Å; T399-L403 VanDerWaalsContact O-CG 3.31Å; T399-L403 WeakPolarHBondContact O-CG 3.19Å; T399-L403 PolarHBondContact O-N 2.83Å; K400-L403 PolarHBondContact O-N 3.49Å; F401-L403 VanDerWaalsContact C-N 3.34Å; F401-L403 PolarHBondContact O-N 3.3Å; L403-P406 WeakPolarHBondContact O-CD 3.38Å |
| 404 | G | 92 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -82.4 | -16.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K400 F401 L402 L407 | K400-G404 PolarHBondContact O-N 3.41Å; F401-G404 PolarHBondContact O-N 2.93Å; L402-G404 PolarHBondContact O-N 3.45Å; G404-L407 PolarHBondContact O-N 3.41Å; G404-L407 VanDerWaalsContact O-N 3.12Å |
| 405 | I | 94.5 | Very high | 91.4 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 20% | 0.195 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -57.6 | -44.2 | -177.8 | -63.9 | 176.9 | 0 | 0 | 0 | 112.8 | I188 L193 F401 L402 L407 V408 | I188-I405 HydrophobicContact CD1-CG2 3.59Å; I188-I405 HydrophobicContact CG1-CG2 4.28Å; L193-I405 HydrophobicContact CD1-CD1 4.36Å; L193-I405 HydrophobicContact CD1-CG1 3.92Å; L193-I405 HydrophobicContact CD1-CG2 4.38Å; F401-I405 HydrophobicContact CE1-CD1 4.17Å; F401-I405 HydrophobicContact CZ-CD1 4.43Å; F401-I405 WeakPolarHBondContact O-CG1 3.45Å; F401-I405 PolarHBondContact O-N 3.34Å; L402-I405 HydrophobicContact CD2-CD1 3.94Å; L402-I405 PolarHBondContact O-N 2.89Å; I405-L407 PolarHBondContact O-N 3.18Å; I405-V408 WeakPolarHBondContact O-CG2 3.18Å; I405-V408 PolarHBondContact O-N 3.2Å; I405-V408 VanDerWaalsContact O-N 3.14Å |
| 406 | P | 91.1 | Very high | 91.3 | Very high | 51 Ų | 51 | 38.2 Ų | 38.2 | 33% | 0.331 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -59.5 | -31.1 | 177.8 | -25.8 | 36.4 | 0 | 0 | 0 | 113.8 | F185 L403 V408 S409 | F185-P406 HydrophobicContact CE2-CB 4.11Å; F185-P406 HydrophobicContact CZ-CB 4.4Å; L403-P406 WeakPolarHBondContact O-CD 3.38Å; P406-V408 VanDerWaalsContact C-N 3.28Å; P406-V408 PolarHBondContact O-N 3.24Å; P406-S409 WeakPolarHBondContact O-CB 3.16Å; P406-S409 PolarHBondContact O-N 3.33Å; P406-S409 PolarHBondContact O-OG 3.15Å |
| 407 | L | 91.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -78.2 | -9.6 | -178.5 | -74.1 | 76.1 | 0 | 0 | 0 | 113.3 | I107 V111 G404 I405 G412 W415 L416 I419 | I107-L407 HydrophobicContact CG2-CD1 4.16Å; I107-L407 HydrophobicContact CG2-CD2 4.14Å; V111-L407 HydrophobicContact CB-CB 4.49Å; V111-L407 HydrophobicContact CG1-CB 4.43Å; V111-L407 HydrophobicContact CG2-CB 3.6Å; V111-L407 HydrophobicContact CG2-CD2 4.02Å; V111-L407 HydrophobicContact CG2-CG 4.47Å; G404-L407 PolarHBondContact O-N 3.41Å; G404-L407 VanDerWaalsContact O-N 3.12Å; I405-L407 PolarHBondContact O-N 3.18Å; L407-G412 VanDerWaalsContact O-CA 3.31Å; L407-G412 WeakPolarHBondContact O-CA 3.27Å; L407-W415 HydrophobicContact CG-CB 4.41Å; L407-L416 HydrophobicContact CD2-CB 4.23Å; L407-L416 HydrophobicContact CD2-CD1 4.44Å; L407-I419 HydrophobicContact CD1-CD1 3.94Å; L407-I419 HydrophobicContact CD2-CD1 4.13Å; L407-I419 HydrophobicContact CG-CD1 4.31Å |
| 408 | V | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -102.5 | 12.7 | 171.9 | -61.7 | 0 | 0 | 0 | 0 | 112.8 | V111 I188 Q189 L192 L193 L196 I405 P406 | V111-V408 HydrophobicContact CG1-CG1 4.49Å; V111-V408 HydrophobicContact CG2-CG1 4.41Å; I188-V408 HydrophobicContact CG2-CG2 4.16Å; Q189-V408 WeakPolarHBondContact CB-O 3.3Å; Q189-V408 PolarHBondContact N-O 2.92Å; L192-V408 HydrophobicContact CB-CB 3.92Å; L192-V408 HydrophobicContact CB-CG1 4.05Å; L193-V408 HydrophobicContact CD1-CG2 4.29Å; L196-V408 HydrophobicContact CB-CG1 4.47Å; L196-V408 HydrophobicContact CD2-CG1 4.08Å; L196-V408 HydrophobicContact CD2-CG2 4.21Å; I405-V408 WeakPolarHBondContact O-CG2 3.18Å; I405-V408 PolarHBondContact O-N 3.2Å; I405-V408 VanDerWaalsContact O-N 3.14Å; P406-V408 VanDerWaalsContact C-N 3.28Å; P406-V408 PolarHBondContact O-N 3.24Å |
| 409 | S | 94.3 | Very high | 90 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -76.4 | 170.1 | 167.8 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | T187 P406 S411 G412 | T187-S409 WeakPolarHBondContact O-CA 3.49Å; P406-S409 WeakPolarHBondContact O-CB 3.16Å; P406-S409 PolarHBondContact O-N 3.33Å; P406-S409 PolarHBondContact O-OG 3.15Å; S409-S411 PolarHBondContact O-N 3.36Å; S409-S411 PolarHBondContact OG-N 2.94Å; S409-S411 PolarHBondContact OG-OG 2.8Å; S409-G412 WeakPolarHBondContact O-CA 3.36Å; S409-G412 PolarHBondContact O-N 3.44Å; S409-G412 PolarHBondContact OG-N 2.97Å |
| 410 | K | 92.8 | Very high | 89.4 | Confident | 60 Ų | 60 | 37.9 Ų | 37.9 | 26% | 0.261 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -33.6 | 172.1 | -67.7 | -170.6 | 169.9 | -176.1 | 0 | 113.1 | Q177 S178 S179 T187 G412 | Q177-K410 HydrophobicContact CB-CD 4.43Å; Q177-K410 HydrophobicContact CB-CG 4.4Å; Q177-K410 VanDerWaalsContact O-CB 3.25Å; Q177-K410 WeakPolarHBondContact O-CB 3.38Å; Q177-K410 WeakPolarHBondContact O-CD 3.49Å; Q177-K410 WeakPolarHBondContact O-CG 3.28Å; Q177-K410 VanDerWaalsContact OE1-CE 3.26Å; S178-K410 WeakPolarHBondContact CA-O 3.29Å; S179-K410 PolarHBondContact N-O 3Å; T187-K410 WeakPolarHBondContact O-CG 3.47Å; T187-K410 PolarHBondContact O-N 3Å; T187-K410 VanDerWaalsContact OG1-CE 3.25Å; T187-K410 WeakPolarHBondContact OG1-CE 3.47Å; K410-G412 VanDerWaalsContact C-N 3.3Å |
| 411 | S | 89.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -3.7 | 173.4 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | S179 D184 F185 S409 Q413 Y414 W415 | S179-S411 WeakPolarHBondContact OG-CA 3.31Å; S179-S411 WeakPolarHBondContact OG-CB 3.3Å; D184-S411 WeakPolarHBondContact O-CB 3.47Å; F185-S411 WeakPolarHBondContact CA-OG 3.27Å; F185-S411 PolarHBondContact O-N 3.27Å; F185-S411 PolarHBondContact O-OG 2.94Å; S409-S411 PolarHBondContact O-N 3.36Å; S409-S411 PolarHBondContact OG-N 2.94Å; S409-S411 PolarHBondContact OG-OG 2.8Å; S411-Q413 PolarHBondContact O-N 3.08Å; S411-Q413 VanDerWaalsContact O-N 3.1Å; S411-Y414 WeakPolarHBondContact O-CB 3.4Å; S411-Y414 PolarHBondContact O-N 3.37Å; S411-W415 PolarHBondContact O-N 3.25Å; S411-W415 VanDerWaalsContact OG-CD1 3.25Å; S411-W415 PolarHBondContact OG-NE1 2.92Å; S411-W415 VanDerWaalsContact OG-NE1 3.12Å |
| 412 | G | 89.1 | Confident | 87.3 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58 | -31.1 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L407 S409 K410 Y414 W415 L416 | L407-G412 VanDerWaalsContact O-CA 3.31Å; L407-G412 WeakPolarHBondContact O-CA 3.27Å; S409-G412 WeakPolarHBondContact O-CA 3.36Å; S409-G412 PolarHBondContact O-N 3.44Å; S409-G412 PolarHBondContact OG-N 2.97Å; K410-G412 VanDerWaalsContact C-N 3.3Å; G412-Y414 VanDerWaalsContact C-N 3.32Å; G412-Y414 PolarHBondContact O-N 3.46Å; G412-W415 PolarHBondContact O-N 3.03Å; G412-L416 WeakPolarHBondContact O-CB 3.36Å; G412-L416 PolarHBondContact O-N 3.08Å |
| 413 | Q | 89.7 | Confident | 86 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.2 | -35.1 | 175.2 | 66.6 | 171.1 | -37.7 | 0 | 0 | 113.2 | W115 L176 S178 S411 L416 A417 | W115-Q413 HydrophobicContact CH2-CB 4.45Å; L176-Q413 HydrophobicContact CD1-CB 3.97Å; L176-Q413 HydrophobicContact CD1-CG 4.13Å; S178-Q413 VanDerWaalsContact CB-NE2 3.34Å; S178-Q413 PolarHBondContact OG-NE2 3.26Å; S411-Q413 PolarHBondContact O-N 3.08Å; S411-Q413 VanDerWaalsContact O-N 3.1Å; Q413-L416 PolarHBondContact O-N 3.44Å; Q413-A417 WeakPolarHBondContact O-CB 3.43Å; Q413-A417 PolarHBondContact O-N 3.08Å |
| 414 | Y | 86.9 | Confident | 85 | Confident | 79 Ų | 79 | 41.6 Ų | 41.6 | 31% | 0.31 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -71.6 | -43.4 | 178.6 | -59 | -64.7 | 0 | 0 | 0 | 110.5 | S179 I182 S411 G412 L416 A417 L418 | S179-Y414 PolarHBondContact O-OH 2.81Å; I182-Y414 HydrophobicContact CB-CG 4.41Å; S411-Y414 WeakPolarHBondContact O-CB 3.4Å; S411-Y414 PolarHBondContact O-N 3.37Å; G412-Y414 VanDerWaalsContact C-N 3.32Å; G412-Y414 PolarHBondContact O-N 3.46Å; Y414-L416 VanDerWaalsContact C-N 3.33Å; Y414-L416 PolarHBondContact O-N 2.89Å; Y414-A417 PolarHBondContact O-N 2.68Å; Y414-L418 WeakPolarHBondContact O-CB 3.42Å; Y414-L418 PolarHBondContact O-N 3.26Å |
| 415 | W | 86 | Confident | 83.9 | Confident | 91 Ų | 91 | 41.8 Ų | 41.8 | 35% | 0.345 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 172.5 | -69.3 | 104.9 | 0 | 0 | 0 | 111.9 | I182 L407 S411 G412 L418 I419 | I182-W415 HydrophobicContact CD1-CD2 4.19Å; I182-W415 HydrophobicContact CD1-CE3 4.29Å; I182-W415 HydrophobicContact CD1-CZ2 4.44Å; I182-W415 HydrophobicContact CD1-CZ3 4.47Å; I182-W415 HydrophobicContact CG1-CD2 4.27Å; I182-W415 HydrophobicContact CG1-CZ2 4.07Å; L407-W415 HydrophobicContact CG-CB 4.41Å; S411-W415 PolarHBondContact O-N 3.25Å; S411-W415 VanDerWaalsContact OG-CD1 3.25Å; S411-W415 PolarHBondContact OG-NE1 2.92Å; S411-W415 VanDerWaalsContact OG-NE1 3.12Å; G412-W415 PolarHBondContact O-N 3.03Å; W415-L418 HydrophobicContact CE3-CD2 4.39Å; W415-L418 HydrophobicContact CZ3-CD2 4.44Å; W415-L418 PolarHBondContact O-N 3.07Å; W415-I419 WeakPolarHBondContact O-CB 3.27Å; W415-I419 WeakPolarHBondContact O-CD1 3.4Å; W415-I419 VanDerWaalsContact O-CG1 3.23Å; W415-I419 WeakPolarHBondContact O-CG1 3.28Å; W415-I419 PolarHBondContact O-N 2.95Å |
| 416 | L | 88.6 | Confident | 82.8 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -48.2 | 176.7 | -178.2 | 140.4 | 0 | 0 | 0 | 111.5 | Y108 V111 I112 W115 V341 L407 G412 Q413 Y414 L418 I419 D420 | Y108-L416 HydrophobicContact CD2-CD1 4.39Å; Y108-L416 HydrophobicContact CD2-CG 4.32Å; V111-L416 HydrophobicContact CB-CD1 3.95Å; V111-L416 HydrophobicContact CG1-CD1 3.89Å; I112-L416 HydrophobicContact CG1-CD1 4.16Å; W115-L416 HydrophobicContact CH2-CB 4.39Å; W115-L416 HydrophobicContact CH2-CD1 3.61Å; W115-L416 HydrophobicContact CH2-CD2 4.11Å; W115-L416 HydrophobicContact CH2-CG 4.24Å; W115-L416 HydrophobicContact CZ2-CD1 4.24Å; W115-L416 HydrophobicContact CZ3-CD1 3.89Å; W115-L416 HydrophobicContact CZ3-CD2 4.23Å; V341-L416 HydrophobicContact CG1-CD2 4.03Å; L407-L416 HydrophobicContact CD2-CB 4.23Å; L407-L416 HydrophobicContact CD2-CD1 4.44Å; G412-L416 WeakPolarHBondContact O-CB 3.36Å; G412-L416 PolarHBondContact O-N 3.08Å; Q413-L416 PolarHBondContact O-N 3.44Å; Y414-L416 VanDerWaalsContact C-N 3.33Å; Y414-L416 PolarHBondContact O-N 2.89Å; L416-L418 VanDerWaalsContact C-N 3.31Å; L416-L418 PolarHBondContact O-N 3.16Å; L416-I419 PolarHBondContact O-N 3.27Å; L416-D420 WeakPolarHBondContact O-CB 3.26Å; L416-D420 PolarHBondContact O-N 2.92Å |
| 417 | A | 82.7 | Confident | 81.8 | Confident | 56 Ų | 56 | 42.9 Ų | 42.9 | 46% | 0.463 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.3 | -40.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q413 Y414 Y421 | Q413-A417 WeakPolarHBondContact O-CB 3.43Å; Q413-A417 PolarHBondContact O-N 3.08Å; Y414-A417 PolarHBondContact O-N 2.68Å; A417-Y421 VanDerWaalsContact O-CB 3.24Å; A417-Y421 WeakPolarHBondContact O-CB 3.42Å; A417-Y421 PolarHBondContact O-N 3.17Å |
| 418 | L | 80.5 | Confident | 81.1 | Confident | 74 Ų | 74 | 44.1 Ų | 44.1 | 39% | 0.387 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.5 | -46.9 | 176.4 | -171.6 | 77.1 | 0 | 0 | 0 | 111.7 | I182 Y414 W415 L416 Y421 Y422 | I182-L418 HydrophobicContact CD1-CD2 4.3Å; Y414-L418 WeakPolarHBondContact O-CB 3.42Å; Y414-L418 PolarHBondContact O-N 3.26Å; W415-L418 HydrophobicContact CE3-CD2 4.39Å; W415-L418 HydrophobicContact CZ3-CD2 4.44Å; W415-L418 PolarHBondContact O-N 3.07Å; L416-L418 VanDerWaalsContact C-N 3.31Å; L416-L418 PolarHBondContact O-N 3.16Å; L418-Y421 PolarHBondContact O-N 3.46Å; L418-Y422 HydrophobicContact CD1-CD2 3.63Å; L418-Y422 HydrophobicContact CD1-CE2 3.94Å; L418-Y422 HydrophobicContact CG-CD2 4.34Å; L418-Y422 WeakPolarHBondContact O-CB 3.31Å; L418-Y422 PolarHBondContact O-N 3.38Å |
| 419 | I | 81 | Confident | 80.5 | Confident | 34 Ų | 34 | 44.1 Ų | 44.1 | 17% | 0.174 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -67.3 | -41 | -179.7 | -68.4 | 165.6 | 0 | 0 | 0 | 111.2 | L104 Y108 L407 W415 L416 G423 A424 | L104-I419 HydrophobicContact CB-CG2 4.2Å; L104-I419 HydrophobicContact CD2-CG2 4.37Å; Y108-I419 HydrophobicContact CD1-CG2 4.07Å; L407-I419 HydrophobicContact CD1-CD1 3.94Å; L407-I419 HydrophobicContact CD2-CD1 4.13Å; L407-I419 HydrophobicContact CG-CD1 4.31Å; W415-I419 WeakPolarHBondContact O-CB 3.27Å; W415-I419 WeakPolarHBondContact O-CD1 3.4Å; W415-I419 VanDerWaalsContact O-CG1 3.23Å; W415-I419 WeakPolarHBondContact O-CG1 3.28Å; W415-I419 PolarHBondContact O-N 2.95Å; L416-I419 PolarHBondContact O-N 3.27Å; I419-G423 CarbonylContact O-C 3.21Å; I419-G423 WeakPolarHBondContact O-CA 3.4Å; I419-G423 PolarHBondContact O-N 3.1Å; I419-A424 PolarHBondContact O-N 3.29Å |
| 420 | D | 79.8 | Confident | 80 | Confident | 33 Ų | 33 | 45.1 Ų | 45.1 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -65.9 | -43.6 | 177.4 | -176.3 | 39.5 | 0 | 0 | 0 | 111.2 | Y108 L416 A424 G425 | Y108-D420 HydrophobicContact CD2-CB 4.36Å; Y108-D420 HydrophobicContact CE1-CB 4.38Å; Y108-D420 HydrophobicContact CE2-CB 4.03Å; Y108-D420 WeakPolarHBondContact CE2-OD1 3.04Å; Y108-D420 PolarHBondContact OH-OD1 3.21Å; L416-D420 WeakPolarHBondContact O-CB 3.26Å; L416-D420 PolarHBondContact O-N 2.92Å; D420-A424 CarbonylContact O-C 3.08Å; D420-G425 VanDerWaalsContact O-CA 3.31Å; D420-G425 WeakPolarHBondContact O-CA 3.23Å; D420-G425 PolarHBondContact O-N 3.03Å |
| 421 | Y | 72 | Confident | 79.4 | Confident | 162 Ų | 162 | 48.7 Ų | 48.7 | 64% | 0.635 | 24% | 0.235 | S | C | * | . | I | π-helix | trans | -74.7 | -47.5 | -176.9 | -167.4 | -94.6 | 0 | 0 | 0 | 113.3 | A417 L418 G425 | A417-Y421 VanDerWaalsContact O-CB 3.24Å; A417-Y421 WeakPolarHBondContact O-CB 3.42Å; A417-Y421 PolarHBondContact O-N 3.17Å; L418-Y421 PolarHBondContact O-N 3.46Å; Y421-G425 VanDerWaalsContact O-CA 3.27Å; Y421-G425 WeakPolarHBondContact O-CA 3.34Å |
| 422 | Y | 69.2 | Low | 79.2 | Confident | 137 Ų | 137 | 49.2 Ų | 49.2 | 54% | 0.537 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -101.2 | -34.3 | -174.6 | -69 | -73.5 | 0 | 0 | 0 | 114.1 | L418 S428 | L418-Y422 HydrophobicContact CD1-CD2 3.63Å; L418-Y422 HydrophobicContact CD1-CE2 3.94Å; L418-Y422 HydrophobicContact CG-CD2 4.34Å; L418-Y422 WeakPolarHBondContact O-CB 3.31Å; L418-Y422 PolarHBondContact O-N 3.38Å; Y422-S428 PolarHBondContact O-OG 3.45Å |
| 423 | G | 68 | Low | 79.1 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -78.5 | -64.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I419 G425 S428 | I419-G423 CarbonylContact O-C 3.21Å; I419-G423 WeakPolarHBondContact O-CA 3.4Å; I419-G423 PolarHBondContact O-N 3.1Å; G423-G425 VanDerWaalsContact C-N 3.33Å; G423-S428 PolarHBondContact O-OG 2.81Å |
| 424 | A | 69.9 | Low | 78.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -100.8 | 25.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V101 C105 Y108 I419 D420 | V101-A424 HydrophobicContact CG1-CB 4.31Å; C105-A424 HydrophobicContact CB-CB 3.91Å; Y108-A424 HydrophobicContact CE1-CB 3.9Å; I419-A424 PolarHBondContact O-N 3.29Å; D420-A424 CarbonylContact O-C 3.08Å |
| 425 | G | 68.1 | Low | 78.7 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | trans | -62.9 | 160.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D420 Y421 G423 M427 S428 L429 | D420-G425 VanDerWaalsContact O-CA 3.31Å; D420-G425 WeakPolarHBondContact O-CA 3.23Å; D420-G425 PolarHBondContact O-N 3.03Å; Y421-G425 VanDerWaalsContact O-CA 3.27Å; Y421-G425 WeakPolarHBondContact O-CA 3.34Å; G423-G425 VanDerWaalsContact C-N 3.33Å; G425-M427 VanDerWaalsContact C-N 3.25Å; G425-M427 PolarHBondContact O-N 2.95Å; G425-S428 WeakPolarHBondContact O-CB 3.23Å; G425-S428 PolarHBondContact O-N 3.15Å; G425-L429 PolarHBondContact O-N 2.68Å | ||
| 426 | G | 71.4 | Confident | 78.7 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.1 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S428 L429 L430 | G426-S428 VanDerWaalsContact C-N 3.33Å; G426-S428 PolarHBondContact O-N 2.93Å; G426-L429 PolarHBondContact O-N 3.22Å; G426-L430 WeakPolarHBondContact O-CG 3.38Å; G426-L430 PolarHBondContact O-N 2.8Å |
| 427 | M | 72 | Confident | 78.6 | Confident | 107 Ų | 107 | 47.4 Ų | 47.4 | 53% | 0.527 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 179 | -67.5 | -57 | -67.4 | 0 | 0 | 112.1 | I266 G425 L429 L430 F431 | I266-M427 HydrophobicContact CG2-SD 3.61Å; G425-M427 VanDerWaalsContact C-N 3.25Å; G425-M427 PolarHBondContact O-N 2.95Å; M427-L429 VanDerWaalsContact C-N 3.34Å; M427-L429 PolarHBondContact O-N 3.03Å; M427-L430 PolarHBondContact O-N 3.44Å; M427-L430 HydrophobicContact SD-CD1 4.25Å; M427-F431 WeakPolarHBondContact O-CB 3.33Å; M427-F431 PolarHBondContact O-N 3.31Å |
| 428 | S | 75.9 | Confident | 78.5 | Confident | 34 Ų | 34 | 47.2 Ų | 47.2 | 24% | 0.238 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -42.4 | 176 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | Y422 G423 G425 G426 F431 I432 | Y422-S428 PolarHBondContact O-OG 3.45Å; G423-S428 PolarHBondContact O-OG 2.81Å; G425-S428 WeakPolarHBondContact O-CB 3.23Å; G425-S428 PolarHBondContact O-N 3.15Å; G426-S428 VanDerWaalsContact C-N 3.33Å; G426-S428 PolarHBondContact O-N 2.93Å; S428-F431 PolarHBondContact O-N 3.36Å; S428-I432 VanDerWaalsContact O-CG1 3.3Å; S428-I432 WeakPolarHBondContact O-CG1 3.39Å; S428-I432 PolarHBondContact O-N 2.92Å |
| 429 | L | 83.7 | Confident | 78.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.4 | -43.3 | 177.5 | -62.8 | 174.9 | 0 | 0 | 0 | 112.3 | V101 F273 Y274 Y280 G425 G426 M427 F431 I432 A433 | V101-L429 HydrophobicContact CG1-CD2 3.67Å; F273-L429 HydrophobicContact CB-CB 4.38Å; F273-L429 HydrophobicContact CB-CD1 4.43Å; F273-L429 HydrophobicContact CD1-CB 4.33Å; Y274-L429 HydrophobicContact CD2-CD1 4.49Å; Y280-L429 HydrophobicContact CD1-CD2 4.2Å; Y280-L429 HydrophobicContact CD2-CD2 4.15Å; Y280-L429 HydrophobicContact CE1-CD2 3.98Å; Y280-L429 HydrophobicContact CE2-CD1 3.8Å; Y280-L429 HydrophobicContact CE2-CD2 3.93Å; Y280-L429 HydrophobicContact CG-CD2 4.31Å; G425-L429 PolarHBondContact O-N 2.68Å; G426-L429 PolarHBondContact O-N 3.22Å; M427-L429 VanDerWaalsContact C-N 3.34Å; M427-L429 PolarHBondContact O-N 3.03Å; L429-F431 VanDerWaalsContact C-N 3.3Å; L429-F431 PolarHBondContact O-N 3.13Å; L429-I432 PolarHBondContact O-N 2.94Å; L429-A433 WeakPolarHBondContact O-CB 3.47Å; L429-A433 PolarHBondContact O-N 3.41Å |
| 430 | L | 82.8 | Confident | 78 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 12% | 0.12 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 175.5 | -72.8 | 176.2 | 0 | 0 | 0 | 111.2 | L62 T270 F273 G426 M427 A433 F434 | L62-L430 HydrophobicContact CD2-CD2 4.13Å; T270-L430 HydrophobicContact CG2-CD1 3.5Å; T270-L430 VanDerWaalsContact CG2-CD1 3.5Å; T270-L430 HydrophobicContact CG2-CG 4.1Å; F273-L430 HydrophobicContact CD1-CD2 3.94Å; F273-L430 HydrophobicContact CD2-CD2 4.22Å; F273-L430 HydrophobicContact CE1-CD2 3.8Å; F273-L430 HydrophobicContact CE2-CD2 4.22Å; F273-L430 HydrophobicContact CG-CD2 4.13Å; F273-L430 HydrophobicContact CZ-CD2 3.95Å; G426-L430 WeakPolarHBondContact O-CG 3.38Å; G426-L430 PolarHBondContact O-N 2.8Å; M427-L430 PolarHBondContact O-N 3.44Å; M427-L430 HydrophobicContact SD-CD1 4.25Å; L430-A433 PolarHBondContact O-N 2.66Å; L430-F434 WeakPolarHBondContact O-CB 3.32Å; L430-F434 PolarHBondContact O-N 2.98Å |
| 431 | F | 80.9 | Confident | 77.8 | Confident | 134 Ų | 134 | 42.8 Ų | 42.8 | 59% | 0.588 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -64.9 | -44.3 | 178.6 | -170.5 | -97.6 | 0 | 0 | 0 | 112.2 | M427 S428 L429 F434 F435 | M427-F431 WeakPolarHBondContact O-CB 3.33Å; M427-F431 PolarHBondContact O-N 3.31Å; S428-F431 PolarHBondContact O-N 3.36Å; L429-F431 VanDerWaalsContact C-N 3.3Å; L429-F431 PolarHBondContact O-N 3.13Å; F431-F434 WeakPolarHBondContact O-CB 3.48Å; F431-F434 PolarHBondContact O-N 3.04Å; F431-F435 HydrophobicContact CD1-CD2 4.07Å; F431-F435 HydrophobicContact CD1-CE2 4.03Å; F431-F435 HydrophobicContact CD2-CE2 4.18Å; F431-F435 AromaticContact CE1-CD2 3.86Å; F431-F435 HydrophobicContact CE1-CD2 3.86Å; F431-F435 AromaticContact CE1-CE2 3.48Å; F431-F435 HydrophobicContact CE1-CE2 3.48Å; F431-F435 VanDerWaalsContact CE1-CE2 3.48Å; F431-F435 AromaticContact CE2-CE2 3.66Å; F431-F435 HydrophobicContact CE2-CE2 3.66Å; F431-F435 HydrophobicContact CE2-CZ 4.49Å; F431-F435 HydrophobicContact CG-CE2 4.37Å; F431-F435 HydrophobicContact CZ-CD2 4.15Å; F431-F435 AromaticContact CZ-CE2 3.31Å; F431-F435 HydrophobicContact CZ-CE2 3.31Å; F431-F435 HydrophobicContact CZ-CZ 4.11Å; F431-F435 WeakPolarHBondContact O-CD2 3.25Å; F431-F435 PolarHBondContact O-N 3.32Å |
| 432 | I | 85.6 | Confident | 77.6 | Confident | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -48.8 | 175.6 | -73.4 | 171.2 | 0 | 0 | 0 | 110.8 | V94 N98 V101 S428 L429 F434 F435 E436 | V94-I432 HydrophobicContact CG1-CG2 4.05Å; N98-I432 WeakPolarHBondContact OD1-CG2 3.48Å; V101-I432 HydrophobicContact CB-CD1 4.27Å; V101-I432 HydrophobicContact CG2-CD1 3.65Å; S428-I432 VanDerWaalsContact O-CG1 3.3Å; S428-I432 WeakPolarHBondContact O-CG1 3.39Å; S428-I432 PolarHBondContact O-N 2.92Å; L429-I432 PolarHBondContact O-N 2.94Å; I432-F434 VanDerWaalsContact C-N 3.3Å; I432-F434 PolarHBondContact O-N 3.3Å; I432-F435 PolarHBondContact O-N 3.06Å; I432-E436 WeakPolarHBondContact O-CB 3.5Å; I432-E436 PolarHBondContact O-N 3.02Å |
| 433 | A | 87.1 | Confident | 77.4 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.2 | -34.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F273 I278 L429 L430 E436 V437 | F273-A433 HydrophobicContact CD1-CB 4.24Å; F273-A433 HydrophobicContact CE1-CB 3.45Å; F273-A433 VanDerWaalsContact CE1-CB 3.45Å; F273-A433 HydrophobicContact CZ-CB 4.36Å; I278-A433 HydrophobicContact CG2-CB 4.33Å; L429-A433 WeakPolarHBondContact O-CB 3.47Å; L429-A433 PolarHBondContact O-N 3.41Å; L430-A433 PolarHBondContact O-N 2.66Å; A433-E436 WeakPolarHBondContact O-CB 3.35Å; A433-E436 PolarHBondContact O-N 3.21Å; A433-V437 WeakPolarHBondContact O-CB 3.42Å; A433-V437 VanDerWaalsContact O-CG2 3.31Å; A433-V437 WeakPolarHBondContact O-CG2 3.43Å; A433-V437 PolarHBondContact O-N 3.44Å |
| 434 | F | 84.4 | Confident | 77 | Confident | 66 Ų | 66 | 39.2 Ų | 39.2 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.3 | -50.6 | 173.4 | 171 | -94.1 | 0 | 0 | 0 | 111.5 | L430 F431 I432 E436 V437 I438 M478 | L430-F434 WeakPolarHBondContact O-CB 3.32Å; L430-F434 PolarHBondContact O-N 2.98Å; F431-F434 WeakPolarHBondContact O-CB 3.48Å; F431-F434 PolarHBondContact O-N 3.04Å; I432-F434 VanDerWaalsContact C-N 3.3Å; I432-F434 PolarHBondContact O-N 3.3Å; F434-E436 VanDerWaalsContact C-N 3.32Å; F434-E436 PolarHBondContact O-N 2.99Å; F434-V437 PolarHBondContact O-N 2.93Å; F434-I438 HydrophobicContact CD1-CD1 3.78Å; F434-I438 HydrophobicContact CD2-CD1 4.24Å; F434-I438 HydrophobicContact CE1-CD1 3.29Å; F434-I438 HydrophobicContact CE2-CD1 3.84Å; F434-I438 HydrophobicContact CG-CD1 4.23Å; F434-I438 HydrophobicContact CZ-CD1 3.33Å; F434-I438 WeakPolarHBondContact O-CG1 3.32Å; F434-I438 PolarHBondContact O-N 3.48Å; F434-M478 HydrophobicContact CD2-CE 4.16Å; F434-M478 HydrophobicContact CE2-CE 3.29Å; F434-M478 HydrophobicContact CE2-CG 4.32Å; F434-M478 HydrophobicContact CZ-CE 3.89Å |
| 435 | F | 83.7 | Confident | 76.2 | Confident | 67 Ų | 67 | 41.8 Ų | 41.8 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69 | -31.5 | 176.3 | -77.1 | -75.7 | 0 | 0 | 0 | 112.6 | F91 V94 F431 I432 A439 | F91-F435 HydrophobicContact CE1-CD1 4.16Å; V94-F435 HydrophobicContact CG2-CB 3.76Å; F431-F435 HydrophobicContact CD1-CD2 4.07Å; F431-F435 HydrophobicContact CD1-CE2 4.03Å; F431-F435 HydrophobicContact CD2-CE2 4.18Å; F431-F435 AromaticContact CE1-CD2 3.86Å; F431-F435 HydrophobicContact CE1-CD2 3.86Å; F431-F435 AromaticContact CE1-CE2 3.48Å; F431-F435 HydrophobicContact CE1-CE2 3.48Å; F431-F435 VanDerWaalsContact CE1-CE2 3.48Å; F431-F435 AromaticContact CE2-CE2 3.66Å; F431-F435 HydrophobicContact CE2-CE2 3.66Å; F431-F435 HydrophobicContact CE2-CZ 4.49Å; F431-F435 HydrophobicContact CG-CE2 4.37Å; F431-F435 HydrophobicContact CZ-CD2 4.15Å; F431-F435 AromaticContact CZ-CE2 3.31Å; F431-F435 HydrophobicContact CZ-CE2 3.31Å; F431-F435 HydrophobicContact CZ-CZ 4.11Å; F431-F435 WeakPolarHBondContact O-CD2 3.25Å; F431-F435 PolarHBondContact O-N 3.32Å; I432-F435 PolarHBondContact O-N 3.06Å; F435-A439 WeakPolarHBondContact O-CB 3.22Å; F435-A439 PolarHBondContact O-N 3.45Å |
| 436 | E | 85.8 | Confident | 75.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -49.1 | 174.8 | -179.6 | 156.6 | -168.3 | 0 | 0 | 111.9 | E70 W85 V94 I284 I432 A433 F434 A439 I440 | E70-E436 WeakPolarHBondContact CG-OE1 3.24Å; W85-E436 HydrophobicContact CH2-CB 4.28Å; W85-E436 HydrophobicContact CH2-CG 3.99Å; W85-E436 HydrophobicContact CZ2-CB 4.37Å; W85-E436 HydrophobicContact CZ2-CG 4.05Å; V94-E436 HydrophobicContact CG1-CB 4.06Å; I284-E436 VanDerWaalsContact CD1-OE1 3.26Å; I284-E436 WeakPolarHBondContact CD1-OE1 3.5Å; I432-E436 WeakPolarHBondContact O-CB 3.5Å; I432-E436 PolarHBondContact O-N 3.02Å; A433-E436 WeakPolarHBondContact O-CB 3.35Å; A433-E436 PolarHBondContact O-N 3.21Å; F434-E436 VanDerWaalsContact C-N 3.32Å; F434-E436 PolarHBondContact O-N 2.99Å; E436-A439 PolarHBondContact O-N 2.95Å; E436-I440 HydrophobicContact CG-CD1 3.68Å; E436-I440 WeakPolarHBondContact O-CD1 3.25Å; E436-I440 VanDerWaalsContact O-CG1 3.23Å; E436-I440 WeakPolarHBondContact O-CG1 3.03Å; E436-I440 PolarHBondContact O-N 3.49Å |
| 437 | V | 85.9 | Confident | 74.1 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 177.5 | 173 | 0 | 0 | 0 | 0 | 110.7 | I66 L69 A433 F434 A439 I440 A441 | I66-V437 HydrophobicContact CD1-CG2 4.09Å; I66-V437 HydrophobicContact CG1-CG2 3.91Å; L69-V437 HydrophobicContact CD2-CG2 4.21Å; A433-V437 WeakPolarHBondContact O-CB 3.42Å; A433-V437 VanDerWaalsContact O-CG2 3.31Å; A433-V437 WeakPolarHBondContact O-CG2 3.43Å; A433-V437 PolarHBondContact O-N 3.44Å; F434-V437 PolarHBondContact O-N 2.93Å; V437-A439 VanDerWaalsContact C-N 3.31Å; V437-A439 PolarHBondContact O-N 3.39Å; V437-I440 PolarHBondContact O-N 2.9Å; V437-A441 WeakPolarHBondContact O-CB 3.35Å; V437-A441 PolarHBondContact O-N 2.98Å |
| 438 | I | 80.6 | Confident | 72.9 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 176.8 | -73.3 | 172.5 | 0 | 0 | 0 | 111 | F91 F434 I440 A441 W442 M478 | F91-I438 HydrophobicContact CZ-CG2 4.29Å; F434-I438 HydrophobicContact CD1-CD1 3.78Å; F434-I438 HydrophobicContact CD2-CD1 4.24Å; F434-I438 HydrophobicContact CE1-CD1 3.29Å; F434-I438 HydrophobicContact CE2-CD1 3.84Å; F434-I438 HydrophobicContact CG-CD1 4.23Å; F434-I438 HydrophobicContact CZ-CD1 3.33Å; F434-I438 WeakPolarHBondContact O-CG1 3.32Å; F434-I438 PolarHBondContact O-N 3.48Å; I438-I440 VanDerWaalsContact C-N 3.34Å; I438-I440 PolarHBondContact O-N 3.33Å; I438-A441 PolarHBondContact O-N 3.17Å; I438-W442 VanDerWaalsContact O-CB 3.23Å; I438-W442 WeakPolarHBondContact O-CB 3.35Å; I438-W442 PolarHBondContact O-N 3.47Å; I438-M478 HydrophobicContact CD1-CE 4.3Å |
| 439 | A | 76.2 | Confident | 71.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.4 | -43.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | W85 F91 F435 E436 V437 L443 | W85-A439 HydrophobicContact CE3-CB 4.49Å; W85-A439 HydrophobicContact CH2-CB 3.86Å; W85-A439 HydrophobicContact CZ3-CB 3.42Å; W85-A439 VanDerWaalsContact CZ3-CB 3.42Å; F91-A439 HydrophobicContact CB-CB 3.8Å; F91-A439 HydrophobicContact CD1-CB 3.79Å; F91-A439 HydrophobicContact CD2-CB 3.23Å; F91-A439 HydrophobicContact CE1-CB 4.14Å; F91-A439 HydrophobicContact CE2-CB 3.63Å; F91-A439 HydrophobicContact CG-CB 3.33Å; F91-A439 HydrophobicContact CZ-CB 4.06Å; F435-A439 WeakPolarHBondContact O-CB 3.22Å; F435-A439 PolarHBondContact O-N 3.45Å; E436-A439 PolarHBondContact O-N 2.95Å; V437-A439 VanDerWaalsContact C-N 3.31Å; V437-A439 PolarHBondContact O-N 3.39Å; A439-L443 WeakPolarHBondContact O-CB 3.5Å; A439-L443 VanDerWaalsContact O-CD1 3.28Å; A439-L443 WeakPolarHBondContact O-CD1 3.27Å; A439-L443 WeakPolarHBondContact O-CG 3.47Å; A439-L443 PolarHBondContact O-N 2.77Å; A439-L443 VanDerWaalsContact O-N 3.12Å |
| 440 | I | 76.1 | Confident | 69.2 | Low | 15 Ų | 15 | 55.8 Ų | 55.8 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.7 | -43.3 | -179.9 | -62.3 | 161.7 | 0 | 0 | 0 | 110.8 | L69 L73 E436 V437 I438 W442 L443 T444 | L69-I440 HydrophobicContact CD1-CD1 4.34Å; L69-I440 HydrophobicContact CD1-CG2 3.85Å; L69-I440 HydrophobicContact CD2-CB 4.39Å; L69-I440 HydrophobicContact CD2-CD1 3.59Å; L69-I440 HydrophobicContact CD2-CG2 4.41Å; L69-I440 HydrophobicContact CG-CD1 3.81Å; L69-I440 HydrophobicContact CG-CG2 4.47Å; L73-I440 HydrophobicContact CD2-CD1 3.66Å; L73-I440 HydrophobicContact CD2-CG1 4.11Å; E436-I440 HydrophobicContact CG-CD1 3.68Å; E436-I440 WeakPolarHBondContact O-CD1 3.25Å; E436-I440 VanDerWaalsContact O-CG1 3.23Å; E436-I440 WeakPolarHBondContact O-CG1 3.03Å; E436-I440 PolarHBondContact O-N 3.49Å; V437-I440 PolarHBondContact O-N 2.9Å; I438-I440 VanDerWaalsContact C-N 3.34Å; I438-I440 PolarHBondContact O-N 3.33Å; I440-W442 PolarHBondContact O-N 3.27Å; I440-L443 PolarHBondContact O-N 2.87Å; I440-T444 HydrophobicContact CG2-CG2 4.32Å; I440-T444 WeakPolarHBondContact O-CG2 3.44Å; I440-T444 PolarHBondContact O-N 3Å; I440-T444 PolarHBondContact O-OG1 3.41Å; I440-T444 VanDerWaalsContact O-OG1 3.13Å |
| 441 | A | 74.4 | Confident | 67.1 | Low | 34 Ų | 34 | 61.9 Ų | 61.9 | 28% | 0.281 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V437 I438 L443 T444 G445 | V437-A441 WeakPolarHBondContact O-CB 3.35Å; V437-A441 PolarHBondContact O-N 2.98Å; I438-A441 PolarHBondContact O-N 3.17Å; A441-L443 VanDerWaalsContact C-N 3.34Å; A441-L443 PolarHBondContact O-N 2.91Å; A441-T444 VanDerWaalsContact CA-OG1 3.32Å; A441-T444 WeakPolarHBondContact CA-OG1 3.4Å; A441-T444 PolarHBondContact O-N 2.82Å; A441-T444 PolarHBondContact O-OG1 3.11Å; A441-G445 PolarHBondContact O-N 3Å |
| 442 | W | 68 | Low | 65.2 | Low | 144 Ų | 144 | 60.1 Ų | 60.1 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 177.8 | -163.8 | 68.2 | 0 | 0 | 0 | 112.2 | I438 I440 G445 Q446 | I438-W442 VanDerWaalsContact O-CB 3.23Å; I438-W442 WeakPolarHBondContact O-CB 3.35Å; I438-W442 PolarHBondContact O-N 3.47Å; I440-W442 PolarHBondContact O-N 3.27Å; W442-G445 PolarHBondContact O-N 3.31Å; W442-Q446 PolarHBondContact O-N 3.06Å; W442-Q446 VanDerWaalsContact O-N 3.07Å |
| 443 | L | 64.3 | Low | 63 | Low | 20 Ų | 20 | 64.8 Ų | 64.8 | 11% | 0.105 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 174.4 | -71.5 | 164.3 | 0 | 0 | 0 | 112.1 | I87 C88 A439 I440 A441 G445 Q446 L447 | I87-L443 HydrophobicContact CB-CD1 4.13Å; I87-L443 HydrophobicContact CD1-CD1 3.52Å; I87-L443 HydrophobicContact CG1-CD1 3.49Å; I87-L443 VanDerWaalsContact CG1-CD1 3.49Å; C88-L443 HydrophobicContact CB-CD1 3.76Å; C88-L443 HydrophobicContact CB-CD2 3.87Å; C88-L443 HydrophobicContact CB-CG 4.11Å; A439-L443 WeakPolarHBondContact O-CB 3.5Å; A439-L443 VanDerWaalsContact O-CD1 3.28Å; A439-L443 WeakPolarHBondContact O-CD1 3.27Å; A439-L443 WeakPolarHBondContact O-CG 3.47Å; A439-L443 PolarHBondContact O-N 2.77Å; A439-L443 VanDerWaalsContact O-N 3.12Å; I440-L443 PolarHBondContact O-N 2.87Å; A441-L443 VanDerWaalsContact C-N 3.34Å; A441-L443 PolarHBondContact O-N 2.91Å; L443-G445 VanDerWaalsContact C-N 3.27Å; L443-G445 PolarHBondContact O-N 3.43Å; L443-Q446 PolarHBondContact O-N 3.47Å; L443-L447 HydrophobicContact CB-CD1 4.46Å; L443-L447 WeakPolarHBondContact O-CB 3.44Å; L443-L447 WeakPolarHBondContact O-CD1 3.39Å; L443-L447 WeakPolarHBondContact O-CG 3.17Å; L443-L447 PolarHBondContact O-N 3.28Å |
| 444 | T | 60.3 | Low | 60.7 | Low | 79 Ų | 79 | 68.5 Ų | 68.5 | 49% | 0.485 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.3 | -33.9 | 176.1 | 52.4 | 0 | 0 | 0 | 0 | 112 | I440 A441 L447 A448 | I440-T444 HydrophobicContact CG2-CG2 4.32Å; I440-T444 WeakPolarHBondContact O-CG2 3.44Å; I440-T444 PolarHBondContact O-N 3Å; I440-T444 PolarHBondContact O-OG1 3.41Å; I440-T444 VanDerWaalsContact O-OG1 3.13Å; A441-T444 VanDerWaalsContact CA-OG1 3.32Å; A441-T444 WeakPolarHBondContact CA-OG1 3.4Å; A441-T444 PolarHBondContact O-N 2.82Å; A441-T444 PolarHBondContact O-OG1 3.11Å; T444-L447 PolarHBondContact O-N 2.69Å; T444-A448 WeakPolarHBondContact O-CB 3.2Å; T444-A448 PolarHBondContact O-N 3.32Å |
| 445 | G | 53.8 | Low | 58.6 | Low | 53 Ų | 53 | 70.3 Ų | 70.3 | 55% | 0.546 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | A441 W442 L443 | A441-G445 PolarHBondContact O-N 3Å; W442-G445 PolarHBondContact O-N 3.31Å; L443-G445 VanDerWaalsContact C-N 3.27Å; L443-G445 PolarHBondContact O-N 3.43Å |
| 446 | Q | 48.3 | Very low | 56.2 | Low | 105 Ų | 105 | 69.7 Ų | 69.7 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.9 | -39.5 | 172.7 | -73.4 | -176.6 | -7.5 | 0 | 0 | 112.3 | W442 L443 A448 G449 | W442-Q446 PolarHBondContact O-N 3.06Å; W442-Q446 VanDerWaalsContact O-N 3.07Å; L443-Q446 PolarHBondContact O-N 3.47Å; Q446-A448 VanDerWaalsContact C-N 3.31Å; Q446-A448 PolarHBondContact O-N 3.34Å; Q446-G449 PolarHBondContact O-N 3.35Å |
| 447 | L | 46.5 | Very low | 53.7 | Low | 62 Ų | 62 | 78 Ų | 78 | 33% | 0.325 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.5 | -22.2 | 178.5 | -76.8 | 155.3 | 0 | 0 | 0 | 113.1 | L443 T444 G449 D450 L452 L454 | L443-L447 HydrophobicContact CB-CD1 4.46Å; L443-L447 WeakPolarHBondContact O-CB 3.44Å; L443-L447 WeakPolarHBondContact O-CD1 3.39Å; L443-L447 WeakPolarHBondContact O-CG 3.17Å; L443-L447 PolarHBondContact O-N 3.28Å; T444-L447 PolarHBondContact O-N 2.69Å; L447-G449 PolarHBondContact O-N 3.11Å; L447-D450 CarbonylContact O-C 3.53Å; L447-D450 PolarHBondContact O-N 3.18Å; L447-L452 HydrophobicContact CD2-CB 3.94Å; L447-L452 HydrophobicContact CD2-CD1 3.44Å; L447-L452 VanDerWaalsContact CD2-CD1 3.44Å; L447-L452 HydrophobicContact CD2-CG 4.27Å; L447-L454 HydrophobicContact CD1-CD1 4.43Å |
| 448 | A | 47.4 | Very low | 51.3 | Low | 89 Ų | 89 | 81.6 Ų | 81.6 | 74% | 0.736 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T444 Q446 | T444-A448 WeakPolarHBondContact O-CB 3.2Å; T444-A448 PolarHBondContact O-N 3.32Å; Q446-A448 VanDerWaalsContact C-N 3.31Å; Q446-A448 PolarHBondContact O-N 3.34Å |
| 449 | G | 42.8 | Very low | 49 | Very low | 65 Ų | 65 | 83.5 Ų | 83.5 | 67% | 0.67 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -23.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q446 L447 | Q446-G449 PolarHBondContact O-N 3.35Å; L447-G449 PolarHBondContact O-N 3.11Å |
| 450 | D | 39.4 | Very low | 47 | Very low | 122 Ų | 122 | 89.5 Ų | 89.5 | 65% | 0.652 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -129.2 | 102.6 | -178 | -77.9 | -34.6 | 0 | 0 | 0 | 109.5 | L447 L452 | L447-D450 CarbonylContact O-C 3.53Å; L447-D450 PolarHBondContact O-N 3.18Å; D450-L452 PolarHBondContact O-N 3.35Å |
| 451 | T | 37.5 | Very low | 45.2 | Very low | 151 Ų | 151 | 93.2 Ų | 93.2 | 93% | 0.926 | 59% | 0.591 | S | S | * | * | trans | -39.8 | 91.7 | 174.9 | 28.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 452 | L | 40.8 | Very low | 43.7 | Very low | 97 Ų | 97 | 100 Ų | 100 | 51% | 0.508 | 61% | 0.611 | S | S | . | * | trans | -107.9 | 120.7 | 166.7 | -117.9 | 140.5 | 0 | 0 | 0 | 107.2 | L447 D450 L454 | L447-L452 HydrophobicContact CD2-CB 3.94Å; L447-L452 HydrophobicContact CD2-CD1 3.44Å; L447-L452 VanDerWaalsContact CD2-CD1 3.44Å; L447-L452 HydrophobicContact CD2-CG 4.27Å; D450-L452 PolarHBondContact O-N 3.35Å; L452-L454 PolarHBondContact O-N 2.86Å | ||
| 453 | P | 38.7 | Very low | 42.6 | Very low | 109 Ų | 109 | 95.8 Ų | 95.8 | 71% | 0.708 | 60% | 0.602 | S | S | * | * | trans | -73.7 | 82.6 | -176.8 | 30.2 | -32.7 | 0 | 0 | 0 | 108.9 | C455 | P453-C455 VanDerWaalsContact C-N 3.28Å; P453-C455 PolarHBondContact O-N 2.86Å | ||
| 454 | L | 39.2 | Very low | 42.1 | Very low | 80 Ų | 80 | 100.9 Ų | 100.9 | 42% | 0.419 | 63% | 0.629 | S | S | . | * | trans | -97.9 | 37.4 | 178.3 | -110.6 | 160.7 | 0 | 0 | 0 | 110.8 | Y76 L447 L452 | Y76-L454 HydrophobicContact CD1-CD2 3.48Å; Y76-L454 VanDerWaalsContact CD1-CD2 3.48Å; Y76-L454 HydrophobicContact CD1-CG 4.5Å; Y76-L454 HydrophobicContact CD2-CD2 3.49Å; Y76-L454 VanDerWaalsContact CD2-CD2 3.49Å; Y76-L454 HydrophobicContact CE1-CD1 4.25Å; Y76-L454 HydrophobicContact CE1-CD2 3.28Å; Y76-L454 HydrophobicContact CE1-CG 3.83Å; Y76-L454 HydrophobicContact CE2-CD2 3.27Å; Y76-L454 HydrophobicContact CE2-CG 3.86Å; Y76-L454 HydrophobicContact CG-CD2 3.59Å; Y76-L454 VanDerWaalsContact CZ-CG 3.45Å; Y76-L454 WeakPolarHBondContact OH-CG 3.44Å; L447-L454 HydrophobicContact CD1-CD1 4.43Å; L452-L454 PolarHBondContact O-N 2.86Å | ||
| 455 | C | 40.1 | Very low | 41.8 | Very low | 105 Ų | 105 | 105.1 Ų | 105.1 | 71% | 0.709 | 64% | 0.636 | S | S | * | * | trans | -174.9 | 82.8 | 153 | -117 | 0 | 0 | 0 | 0 | 108 | P453 Y457 | P453-C455 VanDerWaalsContact C-N 3.28Å; P453-C455 PolarHBondContact O-N 2.86Å; C455-Y457 PolarHBondContact O-N 3.04Å | ||
| 456 | G | 33.2 | Very low | 41.6 | Very low | 53 Ų | 53 | 104 Ų | 104 | 55% | 0.546 | 62% | 0.62 | S | S | . | * | trans | -73.4 | 68.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 457 | Y | 34.7 | Very low | 41.5 | Very low | 174 Ų | 174 | 105.1 Ų | 105.1 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -169.3 | 116.7 | 154.3 | -103.7 | -77.9 | 0 | 0 | 0 | 108.2 | H293 C455 | H293-Y457 AromaticContact CE1-CE2 3.83Å; H293-Y457 AromaticContact ND1-CD2 3.54Å; H293-Y457 AromaticContact ND1-CE2 3.49Å; H293-Y457 WeakPolarHBondContact ND1-CE2 3.25Å; C455-Y457 PolarHBondContact O-N 3.04Å |
| 458 | C | 34.2 | Very low | 42 | Very low | 105 Ų | 105 | 106.1 Ų | 106.1 | 71% | 0.709 | 63% | 0.634 | S | S | * | * | trans | 82.5 | 104.6 | 177.4 | -72.6 | 0 | 0 | 0 | 0 | 118.2 | I460 | C458-I460 HydrophobicContact CB-CD1 4.49Å; C458-I460 HydrophobicContact CB-CG1 4.4Å; C458-I460 PolarHBondContact O-N 3.43Å | ||
| 459 | G | 32.8 | Very low | 42 | Very low | 92 Ų | 92 | 105.7 Ų | 105.7 | 95% | 0.948 | 62% | 0.619 | S | S | * | * | trans | -67 | 74 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 460 | I | 34.4 | Very low | 42 | Very low | 125 Ų | 125 | 104.3 Ų | 104.3 | 64% | 0.641 | 60% | 0.604 | S | S | * | * | trans | -116.3 | 109.8 | 161.7 | -59.9 | 174.7 | 0 | 0 | 0 | 105 | C458 Y462 | C458-I460 HydrophobicContact CB-CD1 4.49Å; C458-I460 HydrophobicContact CB-CG1 4.4Å; C458-I460 PolarHBondContact O-N 3.43Å; I460-Y462 PolarHBondContact O-N 2.94Å; I460-Y462 VanDerWaalsContact O-N 3.13Å | ||
| 461 | A | 39.4 | Very low | 42.6 | Very low | 94 Ų | 94 | 103.8 Ų | 103.8 | 78% | 0.777 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 119.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | P463 | A461-P463 WeakPolarHBondContact O-CD 3.26Š|
| 462 | Y | 41.5 | Very low | 43.1 | Very low | 177 Ų | 177 | 101.6 Ų | 101.6 | 69% | 0.694 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 123.4 | 171.9 | -80.6 | -80.2 | 0 | 0 | 0 | 107.7 | I460 S466 | I460-Y462 PolarHBondContact O-N 2.94Å; I460-Y462 VanDerWaalsContact O-N 3.13Å; Y462-S466 WeakPolarHBondContact CB-OG 3.38Å |
| 463 | P | 44.8 | Very low | 43.3 | Very low | 55 Ų | 55 | 99.2 Ų | 99.2 | 36% | 0.357 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 147.1 | 176.4 | 25.8 | -34.8 | 0 | 0 | 0 | 110 | A461 W465 S466 | A461-P463 WeakPolarHBondContact O-CD 3.26Å; P463-W465 VanDerWaalsContact CB-CD1 3.43Å; P463-W465 HydrophobicContact CB-CG 4.29Å; P463-W465 VanDerWaalsContact CG-CD1 3.46Å; P463-W465 HydrophobicContact CG-CD2 4.14Å; P463-W465 HydrophobicContact CG-CG 4.17Å; P463-W465 HydrophobicContact CG-CZ2 3.82Å; P463-W465 PolarHBondContact O-N 3.35Å; P463-S466 PolarHBondContact O-N 3.07Å; P463-S466 PolarHBondContact O-OG 3.12Å |
| 464 | D | 54.6 | Low | 43.7 | Very low | 127 Ų | 127 | 97.7 Ų | 97.7 | 68% | 0.679 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.6 | -27.2 | -174.6 | -60.2 | -35 | 0 | 0 | 0 | 113.7 | S466 Q467 V468 | D464-S466 PolarHBondContact O-N 2.81Å; D464-Q467 PolarHBondContact O-N 3.09Å; D464-V468 PolarHBondContact O-N 2.96Å |
| 465 | W | 54.1 | Low | 44.2 | Very low | 168 Ų | 168 | 95.7 Ų | 95.7 | 64% | 0.636 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.3 | -25.5 | 175.7 | 69.8 | -107.8 | 0 | 0 | 0 | 114 | P463 V468 L469 | P463-W465 VanDerWaalsContact CB-CD1 3.43Å; P463-W465 HydrophobicContact CB-CG 4.29Å; P463-W465 VanDerWaalsContact CG-CD1 3.46Å; P463-W465 HydrophobicContact CG-CD2 4.14Å; P463-W465 HydrophobicContact CG-CG 4.17Å; P463-W465 HydrophobicContact CG-CZ2 3.82Å; P463-W465 PolarHBondContact O-N 3.35Å; W465-V468 PolarHBondContact O-N 3.04Å; W465-L469 HydrophobicContact CZ3-CD2 4.2Å; W465-L469 WeakPolarHBondContact O-CB 3.42Å; W465-L469 PolarHBondContact O-N 3.16Å |
| 466 | S | 48.4 | Very low | 44.6 | Very low | 30 Ų | 30 | 92.8 Ų | 92.8 | 21% | 0.21 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -73.4 | -30 | 178.4 | 75.2 | 0 | 0 | 0 | 0 | 112.2 | Y462 P463 D464 L469 G470 | Y462-S466 WeakPolarHBondContact CB-OG 3.38Å; P463-S466 PolarHBondContact O-N 3.07Å; P463-S466 PolarHBondContact O-OG 3.12Å; D464-S466 PolarHBondContact O-N 2.81Å; S466-L469 PolarHBondContact O-N 2.66Å; S466-G470 PolarHBondContact O-N 3.41Å |
| 467 | Q | 47.5 | Very low | 45.2 | Very low | 128 Ų | 128 | 91.6 Ų | 91.6 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.5 | -43.1 | 172 | -61.4 | -179.2 | 13.6 | 0 | 0 | 110 | D464 L469 G470 I471 | D464-Q467 PolarHBondContact O-N 3.09Å; Q467-L469 VanDerWaalsContact C-N 3.31Å; Q467-L469 PolarHBondContact O-N 2.66Å; Q467-G470 PolarHBondContact O-N 3.1Å; Q467-I471 WeakPolarHBondContact O-CG1 3.29Å; Q467-I471 PolarHBondContact O-N 2.03Å |
| 468 | V | 56 | Low | 45.9 | Very low | 82 Ų | 82 | 86.3 Ų | 86.3 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -43 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | D464 W465 G470 I471 L472 | D464-V468 PolarHBondContact O-N 2.96Å; W465-V468 PolarHBondContact O-N 3.04Å; V468-G470 PolarHBondContact O-N 3.43Å; V468-I471 PolarHBondContact O-N 2.98Å; V468-L472 HydrophobicContact CG1-CD1 3.99Å; V468-L472 HydrophobicContact CG1-CG 4.37Å; V468-L472 WeakPolarHBondContact O-CB 3.18Å; V468-L472 VanDerWaalsContact O-CG 3.25Å; V468-L472 WeakPolarHBondContact O-CG 3.5Å; V468-L472 PolarHBondContact O-N 3.44Å |
| 469 | L | 48.3 | Very low | 46.9 | Very low | 81 Ų | 81 | 86 Ų | 86 | 42% | 0.424 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 175.8 | -161.5 | 79.7 | 0 | 0 | 0 | 111.1 | W465 S466 Q467 L472 M473 | W465-L469 HydrophobicContact CZ3-CD2 4.2Å; W465-L469 WeakPolarHBondContact O-CB 3.42Å; W465-L469 PolarHBondContact O-N 3.16Å; S466-L469 PolarHBondContact O-N 2.66Å; Q467-L469 VanDerWaalsContact C-N 3.31Å; Q467-L469 PolarHBondContact O-N 2.66Å; L469-L472 PolarHBondContact O-N 2.94Å; L469-M473 HydrophobicContact CD2-SD 3.97Å; L469-M473 HydrophobicContact CG-SD 3.75Å; L469-M473 WeakPolarHBondContact O-CB 3.3Å; L469-M473 WeakPolarHBondContact O-CG 3.19Å; L469-M473 PolarHBondContact O-N 3.42Å |
| 470 | G | 42 | Very low | 48.1 | Very low | 36 Ų | 36 | 82.7 Ų | 82.7 | 37% | 0.371 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58 | -47.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | S466 Q467 V468 L472 M473 E474 | S466-G470 PolarHBondContact O-N 3.41Å; Q467-G470 PolarHBondContact O-N 3.1Å; V468-G470 PolarHBondContact O-N 3.43Å; G470-L472 PolarHBondContact O-N 3.41Å; G470-M473 PolarHBondContact O-N 3.29Å; G470-E474 WeakPolarHBondContact O-CB 3.29Å; G470-E474 PolarHBondContact O-N 3.3Å |
| 471 | I | 51.8 | Low | 48.9 | Very low | 110 Ų | 110 | 79.8 Ų | 79.8 | 56% | 0.564 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.8 | -41.8 | 176 | -66.6 | 166.3 | 0 | 0 | 0 | 111 | Q467 V468 M473 E474 A475 | Q467-I471 WeakPolarHBondContact O-CG1 3.29Å; Q467-I471 PolarHBondContact O-N 2.03Å; V468-I471 PolarHBondContact O-N 2.98Å; I471-M473 VanDerWaalsContact C-N 3.31Å; I471-M473 PolarHBondContact O-N 3.34Å; I471-E474 PolarHBondContact O-N 3.44Å; I471-A475 VanDerWaalsContact O-CB 3.31Å; I471-A475 WeakPolarHBondContact O-CB 3.32Å; I471-A475 PolarHBondContact O-N 3.08Å |
| 472 | L | 48.6 | Very low | 49.5 | Very low | 105 Ų | 105 | 78.3 Ų | 78.3 | 55% | 0.55 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.2 | -35.9 | 177.4 | -73.3 | 172.2 | 0 | 0 | 0 | 111.9 | V468 L469 G470 A476 | V468-L472 HydrophobicContact CG1-CD1 3.99Å; V468-L472 HydrophobicContact CG1-CG 4.37Å; V468-L472 WeakPolarHBondContact O-CB 3.18Å; V468-L472 VanDerWaalsContact O-CG 3.25Å; V468-L472 WeakPolarHBondContact O-CG 3.5Å; V468-L472 PolarHBondContact O-N 3.44Å; L469-L472 PolarHBondContact O-N 2.94Å; G470-L472 PolarHBondContact O-N 3.41Å; L472-A476 WeakPolarHBondContact O-CB 3.03Å; L472-A476 PolarHBondContact O-N 2.65Å |
| 473 | M | 46.2 | Very low | 50.2 | Low | 48 Ų | 48 | 72.9 Ų | 72.9 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -71.8 | -40.3 | 177 | -66.6 | 158.4 | 74 | 0 | 0 | 111.5 | P65 L469 G470 I471 A476 S477 | P65-M473 HydrophobicContact CB-CE 3.25Å; P65-M473 HydrophobicContact CG-CE 2.95Å; L469-M473 HydrophobicContact CD2-SD 3.97Å; L469-M473 HydrophobicContact CG-SD 3.75Å; L469-M473 WeakPolarHBondContact O-CB 3.3Å; L469-M473 WeakPolarHBondContact O-CG 3.19Å; L469-M473 PolarHBondContact O-N 3.42Å; G470-M473 PolarHBondContact O-N 3.29Å; I471-M473 VanDerWaalsContact C-N 3.31Å; I471-M473 PolarHBondContact O-N 3.34Å; M473-A476 PolarHBondContact O-N 2.7Å; M473-S477 WeakPolarHBondContact O-CB 3.32Å; M473-S477 PolarHBondContact O-N 3.05Å; M473-S477 PolarHBondContact O-OG 3.49Å |
| 474 | E | 46.7 | Very low | 50.6 | Low | 77 Ų | 77 | 74.2 Ų | 74.2 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.4 | -50.9 | 171.8 | -172.4 | 174.1 | -173.1 | 0 | 0 | 110.6 | G470 I471 A476 S477 M478 | G470-E474 WeakPolarHBondContact O-CB 3.29Å; G470-E474 PolarHBondContact O-N 3.3Å; I471-E474 PolarHBondContact O-N 3.44Å; E474-A476 PolarHBondContact O-N 3.24Å; E474-S477 PolarHBondContact O-N 3.48Å; E474-S477 VanDerWaalsContact O-N 3.17Å; E474-S477 PolarHBondContact O-OG 3.3Å; E474-M478 HydrophobicContact CG-SD 3.91Å; E474-M478 WeakPolarHBondContact O-CB 3.37Å; E474-M478 VanDerWaalsContact O-CG 3.3Å; E474-M478 WeakPolarHBondContact O-CG 3.32Å; E474-M478 PolarHBondContact O-N 2.82Å |
| 475 | A | 49.3 | Very low | 50.7 | Low | 38 Ų | 38 | 72.1 Ų | 72.1 | 31% | 0.314 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I471 S477 M478 L479 | I471-A475 VanDerWaalsContact O-CB 3.31Å; I471-A475 WeakPolarHBondContact O-CB 3.32Å; I471-A475 PolarHBondContact O-N 3.08Å; A475-S477 VanDerWaalsContact C-N 3.27Å; A475-S477 PolarHBondContact O-N 2.91Å; A475-M478 PolarHBondContact O-N 3.47Å; A475-L479 HydrophobicContact CB-CD1 4.36Å; A475-L479 VanDerWaalsContact O-CB 3.3Å; A475-L479 WeakPolarHBondContact O-CB 3.41Å; A475-L479 WeakPolarHBondContact O-CD1 3.29Å; A475-L479 WeakPolarHBondContact O-CG 3.39Å; A475-L479 PolarHBondContact O-N 3.24Å |
| 476 | A | 49.3 | Very low | 51.1 | Low | 43 Ų | 43 | 67.9 Ų | 67.9 | 36% | 0.355 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.4 | -33.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F61 L472 M473 E474 P480 | F61-A476 HydrophobicContact CB-CB 4.43Å; L472-A476 WeakPolarHBondContact O-CB 3.03Å; L472-A476 PolarHBondContact O-N 2.65Å; M473-A476 PolarHBondContact O-N 2.7Å; E474-A476 PolarHBondContact O-N 3.24Å; A476-P480 VanDerWaalsContact O-CD 3.28Å; A476-P480 WeakPolarHBondContact O-CD 3.36Å |
| 477 | S | 45.9 | Very low | 51.8 | Low | 28 Ų | 28 | 69.2 Ų | 69.2 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -75.1 | -31.3 | 175.8 | 74.3 | 0 | 0 | 0 | 0 | 113.7 | M473 E474 A475 | M473-S477 WeakPolarHBondContact O-CB 3.32Å; M473-S477 PolarHBondContact O-N 3.05Å; M473-S477 PolarHBondContact O-OG 3.49Å; E474-S477 PolarHBondContact O-N 3.48Å; E474-S477 VanDerWaalsContact O-N 3.17Å; E474-S477 PolarHBondContact O-OG 3.3Å; A475-S477 VanDerWaalsContact C-N 3.27Å; A475-S477 PolarHBondContact O-N 2.91Å |
| 478 | M | 49.4 | Very low | 52.2 | Low | 64 Ų | 64 | 63.6 Ų | 63.6 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -93.4 | -33.4 | -173.7 | -67.4 | 180 | 99.1 | 0 | 0 | 113.6 | F434 I438 E474 A475 P480 P482 | F434-M478 HydrophobicContact CD2-CE 4.16Å; F434-M478 HydrophobicContact CE2-CE 3.29Å; F434-M478 HydrophobicContact CE2-CG 4.32Å; F434-M478 HydrophobicContact CZ-CE 3.89Å; I438-M478 HydrophobicContact CD1-CE 4.3Å; E474-M478 HydrophobicContact CG-SD 3.91Å; E474-M478 WeakPolarHBondContact O-CB 3.37Å; E474-M478 VanDerWaalsContact O-CG 3.3Å; E474-M478 WeakPolarHBondContact O-CG 3.32Å; E474-M478 PolarHBondContact O-N 2.82Å; A475-M478 PolarHBondContact O-N 3.47Å; M478-P480 VanDerWaalsContact C-CD 3.47Å; M478-P482 WeakPolarHBondContact O-CD 3.42Å |
| 479 | L | 55.1 | Low | 52.5 | Low | 99 Ų | 99 | 62.6 Ų | 62.6 | 52% | 0.518 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -37.6 | -174.4 | -79 | 167.7 | 0 | 0 | 0 | 115.3 | A475 I481 P482 I483 | A475-L479 HydrophobicContact CB-CD1 4.36Å; A475-L479 VanDerWaalsContact O-CB 3.3Å; A475-L479 WeakPolarHBondContact O-CB 3.41Å; A475-L479 WeakPolarHBondContact O-CD1 3.29Å; A475-L479 WeakPolarHBondContact O-CG 3.39Å; A475-L479 PolarHBondContact O-N 3.24Å; L479-I481 VanDerWaalsContact C-N 3.32Å; L479-I481 PolarHBondContact O-N 3.23Å; L479-P482 VanDerWaalsContact O-CD 3.29Å; L479-P482 WeakPolarHBondContact O-CD 3.47Å; L479-P482 WeakPolarHBondContact O-CG 2.97Å; L479-I483 HydrophobicContact CB-CD1 4.16Å; L479-I483 WeakPolarHBondContact O-CD1 3.41Å; L479-I483 WeakPolarHBondContact O-CG1 3.42Å; L479-I483 PolarHBondContact O-N 3.42Å |
| 480 | P | 58.2 | Low | 53.5 | Low | 21 Ų | 21 | 66 Ų | 66 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.2 | -28.5 | -174.7 | -17.6 | 29.2 | 0 | 0 | 0 | 114.3 | F264 A476 M478 Y484 | F264-P480 HydrophobicContact CB-CB 3.99Å; F264-P480 HydrophobicContact CD1-CB 4.39Å; F264-P480 WeakPolarHBondContact O-CB 3.04Å; A476-P480 VanDerWaalsContact O-CD 3.28Å; A476-P480 WeakPolarHBondContact O-CD 3.36Å; M478-P480 VanDerWaalsContact C-CD 3.47Å; P480-Y484 VanDerWaalsContact O-CB 3.32Å; P480-Y484 WeakPolarHBondContact O-CB 3.35Å; P480-Y484 PolarHBondContact O-N 2.75Å |
| 481 | I | 50.1 | Low | 54.6 | Low | 64 Ų | 64 | 70.8 Ų | 70.8 | 33% | 0.328 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.3 | -57.5 | -179.5 | -59.8 | 172.7 | 0 | 0 | 0 | 112.6 | L479 I483 Y484 I485 | L479-I481 VanDerWaalsContact C-N 3.32Å; L479-I481 PolarHBondContact O-N 3.23Å; I481-I483 VanDerWaalsContact C-N 3.29Å; I481-I483 PolarHBondContact O-N 2.92Å; I481-Y484 PolarHBondContact O-N 3.02Å; I481-I485 HydrophobicContact CG2-CD1 4.15Å; I481-I485 WeakPolarHBondContact O-CG1 3.3Å; I481-I485 PolarHBondContact O-N 3.29Å |
| 482 | P | 52.1 | Low | 55 | Low | 64 Ų | 64 | 67.2 Ų | 67.2 | 42% | 0.416 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.9 | -32.3 | 177.4 | 26.4 | -32.8 | 0 | 0 | 0 | 111.8 | M478 L479 I485 C486 | M478-P482 WeakPolarHBondContact O-CD 3.42Å; L479-P482 VanDerWaalsContact O-CD 3.29Å; L479-P482 WeakPolarHBondContact O-CD 3.47Å; L479-P482 WeakPolarHBondContact O-CG 2.97Å; P482-I485 PolarHBondContact O-N 3.1Å; P482-C486 WeakPolarHBondContact O-CB 3.1Å; P482-C486 PolarHBondContact O-N 3.24Å; P482-C486 PolarHBondContact O-SG 3.35Å; P482-C486 VanDerWaalsContact O-SG 3.34Å |
| 483 | I | 56.6 | Low | 55.4 | Low | 63 Ų | 63 | 68.1 Ų | 68.1 | 32% | 0.323 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 176.5 | -59.5 | 165.2 | 0 | 0 | 0 | 110.8 | F264 L479 I481 C486 W487 | F264-I483 HydrophobicContact CD1-CB 3.96Å; F264-I483 HydrophobicContact CD1-CD1 4.04Å; F264-I483 HydrophobicContact CD1-CG2 3.84Å; F264-I483 HydrophobicContact CD2-CG2 3.89Å; F264-I483 HydrophobicContact CE1-CB 3.85Å; F264-I483 HydrophobicContact CE1-CD1 3.59Å; F264-I483 HydrophobicContact CE1-CG1 4.3Å; F264-I483 HydrophobicContact CE1-CG2 3.34Å; F264-I483 HydrophobicContact CE2-CB 4.46Å; F264-I483 HydrophobicContact CE2-CG2 3.41Å; F264-I483 VanDerWaalsContact CE2-CG2 3.41Å; F264-I483 HydrophobicContact CG-CB 4.35Å; F264-I483 HydrophobicContact CG-CG2 4.12Å; F264-I483 HydrophobicContact CZ-CB 4.14Å; F264-I483 HydrophobicContact CZ-CD1 4.4Å; F264-I483 HydrophobicContact CZ-CG2 3.13Å; L479-I483 HydrophobicContact CB-CD1 4.16Å; L479-I483 WeakPolarHBondContact O-CD1 3.41Å; L479-I483 WeakPolarHBondContact O-CG1 3.42Å; L479-I483 PolarHBondContact O-N 3.42Å; I481-I483 VanDerWaalsContact C-N 3.29Å; I481-I483 PolarHBondContact O-N 2.92Å; I483-C486 PolarHBondContact O-N 3.27Å; I483-W487 VanDerWaalsContact O-CB 3.28Å; I483-W487 WeakPolarHBondContact O-CB 3.3Å; I483-W487 PolarHBondContact O-N 3.03Å |
| 484 | Y | 53.6 | Low | 56 | Low | 82 Ų | 82 | 69.3 Ų | 69.3 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 173.6 | -178.1 | -90.6 | 0 | 0 | 0 | 112.3 | I260 I266 P480 I481 W487 S488 | I260-Y484 HydrophobicContact CG2-CD2 3.27Å; I260-Y484 HydrophobicContact CG2-CE2 3.68Å; I260-Y484 HydrophobicContact CG2-CG 4.26Å; I266-Y484 HydrophobicContact CD1-CD1 3.82Å; I266-Y484 HydrophobicContact CD1-CD2 3.36Å; I266-Y484 HydrophobicContact CD1-CE1 4.16Å; I266-Y484 HydrophobicContact CD1-CE2 3.76Å; I266-Y484 HydrophobicContact CD1-CG 3.42Å; I266-Y484 VanDerWaalsContact CD1-CG 3.42Å; I266-Y484 HydrophobicContact CG1-CD2 4.47Å; P480-Y484 VanDerWaalsContact O-CB 3.32Å; P480-Y484 WeakPolarHBondContact O-CB 3.35Å; P480-Y484 PolarHBondContact O-N 2.75Å; I481-Y484 PolarHBondContact O-N 3.02Å; Y484-W487 PolarHBondContact O-N 3.43Å; Y484-S488 WeakPolarHBondContact CE1-OG 3.4Å; Y484-S488 VanDerWaalsContact O-CB 3.29Å; Y484-S488 WeakPolarHBondContact O-CB 3.38Å; Y484-S488 PolarHBondContact O-N 3.01Å; Y484-S488 PolarHBondContact O-OG 3.06Å |
| 485 | I | 55.7 | Low | 56.7 | Low | 84 Ų | 84 | 67.8 Ų | 67.8 | 43% | 0.431 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.6 | -54.3 | 177.3 | -68.9 | 169.3 | 0 | 0 | 0 | 109.7 | I481 P482 W487 S488 F489 | I481-I485 HydrophobicContact CG2-CD1 4.15Å; I481-I485 WeakPolarHBondContact O-CG1 3.3Å; I481-I485 PolarHBondContact O-N 3.29Å; P482-I485 PolarHBondContact O-N 3.1Å; I485-W487 VanDerWaalsContact C-N 3.32Å; I485-W487 PolarHBondContact O-N 3.25Å; I485-S488 PolarHBondContact O-N 3.47Å; I485-F489 HydrophobicContact CG2-CD2 3.81Å; I485-F489 HydrophobicContact CG2-CE2 3.77Å; I485-F489 VanDerWaalsContact O-CD2 3.24Å; I485-F489 WeakPolarHBondContact O-CD2 3.48Å; I485-F489 PolarHBondContact O-N 3.41Å |
| 486 | C | 63.5 | Low | 57.6 | Low | 78 Ų | 78 | 72.2 Ų | 72.2 | 53% | 0.527 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 179.6 | -72.4 | 0 | 0 | 0 | 0 | 112 | P482 I483 F489 M490 | P482-C486 WeakPolarHBondContact O-CB 3.1Å; P482-C486 PolarHBondContact O-N 3.24Å; P482-C486 PolarHBondContact O-SG 3.35Å; P482-C486 VanDerWaalsContact O-SG 3.34Å; I483-C486 PolarHBondContact O-N 3.27Å; C486-F489 PolarHBondContact O-N 3.43Å; C486-M490 WeakPolarHBondContact O-CG 3.18Å; C486-M490 PolarHBondContact O-N 3.41Å |
| 487 | W | 62.6 | Low | 58.2 | Low | 58 Ų | 58 | 76.8 Ų | 76.8 | 22% | 0.22 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 176.6 | 177.5 | 82.8 | 0 | 0 | 0 | 113 | I260 I483 Y484 I485 F489 M490 K491 | I260-W487 HydrophobicContact CB-CD2 3.84Å; I260-W487 HydrophobicContact CB-CE3 3.62Å; I260-W487 HydrophobicContact CB-CH2 3.57Å; I260-W487 HydrophobicContact CB-CZ2 3.81Å; I260-W487 HydrophobicContact CB-CZ3 3.5Å; I260-W487 VanDerWaalsContact CB-CZ3 3.5Å; I260-W487 HydrophobicContact CD1-CB 4.09Å; I260-W487 HydrophobicContact CD1-CD2 3.21Å; I260-W487 HydrophobicContact CD1-CE3 3.96Å; I260-W487 HydrophobicContact CD1-CG 3.26Å; I260-W487 HydrophobicContact CD1-CH2 4.23Å; I260-W487 HydrophobicContact CD1-CZ2 3.56Å; I260-W487 HydrophobicContact CD1-CZ3 4.43Å; I260-W487 HydrophobicContact CG1-CD2 4.04Å; I260-W487 HydrophobicContact CG1-CE3 4.33Å; I260-W487 HydrophobicContact CG1-CG 4.41Å; I260-W487 HydrophobicContact CG1-CH2 4.28Å; I260-W487 HydrophobicContact CG1-CZ2 4Å; I260-W487 HydrophobicContact CG1-CZ3 4.47Å; I260-W487 HydrophobicContact CG2-CD2 3.69Å; I260-W487 HydrophobicContact CG2-CE3 3.23Å; I260-W487 HydrophobicContact CG2-CG 4.26Å; I260-W487 HydrophobicContact CG2-CH2 4.11Å; I260-W487 HydrophobicContact CG2-CZ3 3.49Å; I260-W487 VanDerWaalsContact CG2-CZ3 3.49Å; I483-W487 VanDerWaalsContact O-CB 3.28Å; I483-W487 WeakPolarHBondContact O-CB 3.3Å; I483-W487 PolarHBondContact O-N 3.03Å; Y484-W487 PolarHBondContact O-N 3.43Å; I485-W487 VanDerWaalsContact C-N 3.32Å; I485-W487 PolarHBondContact O-N 3.25Å; W487-F489 VanDerWaalsContact C-N 3.26Å; W487-F489 PolarHBondContact O-N 3.2Å; W487-M490 PolarHBondContact O-N 3.29Å; W487-M490 VanDerWaalsContact O-N 3.08Å; W487-K491 HydrophobicContact CD2-CB 4.47Å; W487-K491 HydrophobicContact CH2-CD 3.66Å; W487-K491 HydrophobicContact CZ2-CB 4.49Å; W487-K491 HydrophobicContact CZ2-CD 3.4Å; W487-K491 VanDerWaalsContact CZ2-CD 3.4Å; W487-K491 HydrophobicContact CZ2-CG 4.25Å; W487-K491 HydrophobicContact CZ3-CD 4.4Å; W487-K491 PolarHBondContact O-N 2.87Å |
| 488 | S | 55.7 | Low | 58.9 | Low | 10 Ų | 10 | 82.6 Ų | 82.6 | 7% | 0.07 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.3 | -39 | 178.2 | -61.7 | 0 | 0 | 0 | 0 | 111.1 | Y484 I485 A492 | Y484-S488 WeakPolarHBondContact CE1-OG 3.4Å; Y484-S488 VanDerWaalsContact O-CB 3.29Å; Y484-S488 WeakPolarHBondContact O-CB 3.38Å; Y484-S488 PolarHBondContact O-N 3.01Å; Y484-S488 PolarHBondContact O-OG 3.06Å; I485-S488 PolarHBondContact O-N 3.47Å; S488-A492 WeakPolarHBondContact O-CB 3.49Å; S488-A492 PolarHBondContact O-N 3.41Å |
| 489 | F | 62.5 | Low | 59.4 | Low | 61 Ų | 61 | 84.7 Ų | 84.7 | 27% | 0.268 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 171.9 | -83.3 | -72.8 | 0 | 0 | 0 | 113 | I485 C486 W487 F497 V500 F501 | I485-F489 HydrophobicContact CG2-CD2 3.81Å; I485-F489 HydrophobicContact CG2-CE2 3.77Å; I485-F489 VanDerWaalsContact O-CD2 3.24Å; I485-F489 WeakPolarHBondContact O-CD2 3.48Å; I485-F489 PolarHBondContact O-N 3.41Å; C486-F489 PolarHBondContact O-N 3.43Å; W487-F489 VanDerWaalsContact C-N 3.26Å; W487-F489 PolarHBondContact O-N 3.2Å; F489-F497 HydrophobicContact CD1-CD2 4.06Å; F489-F497 AromaticContact CD1-CE2 3.93Å; F489-F497 HydrophobicContact CD1-CE2 3.93Å; F489-F497 AromaticContact CE1-CD2 3.53Å; F489-F497 HydrophobicContact CE1-CD2 3.53Å; F489-F497 AromaticContact CE1-CE2 3.22Å; F489-F497 HydrophobicContact CE1-CE2 3.22Å; F489-F497 HydrophobicContact CE1-CG 4.35Å; F489-F497 AromaticContact CE1-CZ 3.83Å; F489-F497 HydrophobicContact CE1-CZ 3.83Å; F489-F497 HydrophobicContact CE2-CZ 4.47Å; F489-F497 HydrophobicContact CZ-CD2 4.16Å; F489-F497 HydrophobicContact CZ-CE1 4.5Å; F489-F497 AromaticContact CZ-CE2 3.38Å; F489-F497 HydrophobicContact CZ-CE2 3.38Å; F489-F497 AromaticContact CZ-CZ 3.59Å; F489-F497 HydrophobicContact CZ-CZ 3.59Å; F489-F497 HydrophobicContact CE2-CE2 4.19Å; F489-V500 HydrophobicContact CD1-CG1 3.67Å; F489-V500 HydrophobicContact CE1-CG1 3.91Å; F489-F501 HydrophobicContact CZ-CD2 4.17Å |
| 490 | M | 68.9 | Low | 59.6 | Low | 154 Ų | 154 | 80.5 Ų | 80.5 | 76% | 0.759 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -70.1 | -33.6 | 178 | -76.2 | 171.2 | 34.5 | 0 | 0 | 113.7 | C486 W487 | C486-M490 WeakPolarHBondContact O-CG 3.18Å; C486-M490 PolarHBondContact O-N 3.41Å; W487-M490 PolarHBondContact O-N 3.29Å; W487-M490 VanDerWaalsContact O-N 3.08Å |
| 491 | K | 65.5 | Low | 59.3 | Low | 136 Ų | 136 | 85.5 Ų | 85.5 | 59% | 0.591 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -85.7 | -18.2 | -178.3 | -145.8 | -159.7 | -159.5 | 173.7 | 0 | 113.1 | W487 S493 | W487-K491 HydrophobicContact CD2-CB 4.47Å; W487-K491 HydrophobicContact CH2-CD 3.66Å; W487-K491 HydrophobicContact CZ2-CB 4.49Å; W487-K491 HydrophobicContact CZ2-CD 3.4Å; W487-K491 VanDerWaalsContact CZ2-CD 3.4Å; W487-K491 HydrophobicContact CZ2-CG 4.25Å; W487-K491 HydrophobicContact CZ3-CD 4.4Å; W487-K491 PolarHBondContact O-N 2.87Å; K491-S493 VanDerWaalsContact C-N 3.27Å; K491-S493 PolarHBondContact O-N 3.37Å |
| 492 | A | 59.9 | Low | 59.2 | Low | 34 Ų | 34 | 87.3 Ų | 87.3 | 28% | 0.281 | 47% | 0.469 | S | S | . | . | trans | -69.7 | 87 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S488 G494 V500 | S488-A492 WeakPolarHBondContact O-CB 3.49Å; S488-A492 PolarHBondContact O-N 3.41Å; A492-G494 PolarHBondContact O-N 3Å; A492-V500 HydrophobicContact CB-CG1 3.31Å; A492-V500 HydrophobicContact CB-CG2 3.91Å; A492-V500 HydrophobicContact CB-CB 4.21Å | ||
| 493 | S | 56.2 | Low | 59.3 | Low | 125 Ų | 125 | 87.8 Ų | 87.8 | 87% | 0.874 | 47% | 0.471 | S | S | * | . | trans | -75.5 | 117.4 | 175.8 | -161.1 | 0 | 0 | 0 | 0 | 109.5 | K491 | K491-S493 VanDerWaalsContact C-N 3.27Å; K491-S493 PolarHBondContact O-N 3.37Å | ||
| 494 | G | 58.4 | Low | 58.8 | Low | 73 Ų | 73 | 87.8 Ų | 87.8 | 75% | 0.753 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 89.2 | 110.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A492 | A492-G494 PolarHBondContact O-N 3Š|
| 495 | G | 62.6 | Low | 58.3 | Low | 44 Ų | 44 | 87.7 Ų | 87.7 | 45% | 0.454 | 48% | 0.483 | S | S | . | . | S | Bend | trans | 142 | 149.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E499 | G495-E499 WeakPolarHBondContact CA-OE2 3.27Š|
| 496 | N | 67.4 | Low | 57.5 | Low | 132 Ų | 132 | 90.3 Ų | 90.3 | 71% | 0.706 | 50% | 0.497 | S | S | * | . | trans | -67.3 | 156.4 | 171.9 | -138.9 | -10.9 | 0 | 0 | 0 | 109.1 | K498 E499 V500 | N496-K498 PolarHBondContact O-N 3.19Å; N496-E499 PolarHBondContact N-OE2 3.22Å; N496-E499 WeakPolarHBondContact O-CA 3.41Å; N496-E499 WeakPolarHBondContact O-CB 3.16Å; N496-E499 PolarHBondContact O-N 2.95Å; N496-V500 PolarHBondContact O-N 3.42Å; N496-V500 VanDerWaalsContact O-N 3.13Å | ||
| 497 | F | 62.5 | Low | 56.3 | Low | 139 Ų | 139 | 97.8 Ų | 97.8 | 61% | 0.61 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -46.7 | -37.3 | -174.7 | -179.2 | -92.8 | 0 | 0 | 0 | 113.8 | F489 F501 | F489-F497 HydrophobicContact CD1-CD2 4.06Å; F489-F497 AromaticContact CD1-CE2 3.93Å; F489-F497 HydrophobicContact CD1-CE2 3.93Å; F489-F497 AromaticContact CE1-CD2 3.53Å; F489-F497 HydrophobicContact CE1-CD2 3.53Å; F489-F497 AromaticContact CE1-CE2 3.22Å; F489-F497 HydrophobicContact CE1-CE2 3.22Å; F489-F497 HydrophobicContact CE1-CG 4.35Å; F489-F497 AromaticContact CE1-CZ 3.83Å; F489-F497 HydrophobicContact CE1-CZ 3.83Å; F489-F497 HydrophobicContact CE2-CZ 4.47Å; F489-F497 HydrophobicContact CZ-CD2 4.16Å; F489-F497 HydrophobicContact CZ-CE1 4.5Å; F489-F497 AromaticContact CZ-CE2 3.38Å; F489-F497 HydrophobicContact CZ-CE2 3.38Å; F489-F497 AromaticContact CZ-CZ 3.59Å; F489-F497 HydrophobicContact CZ-CZ 3.59Å; F489-F497 HydrophobicContact CE2-CE2 4.19Å; F497-F501 VanDerWaalsContact O-CB 3.28Å; F497-F501 WeakPolarHBondContact O-CB 3.44Å; F497-F501 PolarHBondContact O-N 3.39Å |
| 498 | K | 59.7 | Low | 56 | Low | 149 Ų | 149 | 99.8 Ų | 99.8 | 65% | 0.648 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 177.3 | -167.5 | 177.1 | -178.8 | -178.3 | 0 | 113.3 | N496 Q502 | N496-K498 PolarHBondContact O-N 3.19Å; K498-Q502 WeakPolarHBondContact O-CB 3.48Å; K498-Q502 PolarHBondContact O-N 3.39Å; K498-Q502 WeakPolarHBondContact O-CG 3.38Å |
| 499 | E | 61.3 | Low | 56 | Low | 109 Ų | 109 | 104.5 Ų | 104.5 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.2 | -41.1 | 178.9 | -65.7 | 171.6 | 155.2 | 0 | 0 | 110.7 | G495 N496 Q502 T503 | G495-E499 WeakPolarHBondContact CA-OE2 3.27Å; N496-E499 PolarHBondContact N-OE2 3.22Å; N496-E499 WeakPolarHBondContact O-CA 3.41Å; N496-E499 WeakPolarHBondContact O-CB 3.16Å; N496-E499 PolarHBondContact O-N 2.95Å; E499-Q502 PolarHBondContact O-N 2.79Å; E499-T503 VanDerWaalsContact O-CB 3.3Å; E499-T503 WeakPolarHBondContact O-CB 3.49Å; E499-T503 PolarHBondContact O-N 2.92Å; E499-T503 PolarHBondContact O-OG1 3.08Å |
| 500 | V | 58.6 | Low | 55.6 | Low | 11 Ų | 11 | 106.9 Ų | 106.9 | 7% | 0.067 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -62.6 | -45.8 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | F489 A492 N496 T503 L504 | F489-V500 HydrophobicContact CD1-CG1 3.67Å; F489-V500 HydrophobicContact CE1-CG1 3.91Å; A492-V500 HydrophobicContact CB-CG1 3.31Å; A492-V500 HydrophobicContact CB-CG2 3.91Å; A492-V500 HydrophobicContact CB-CB 4.21Å; N496-V500 PolarHBondContact O-N 3.42Å; N496-V500 VanDerWaalsContact O-N 3.13Å; V500-T503 PolarHBondContact O-N 3.01Å; V500-L504 HydrophobicContact CG1-CD1 3.84Å; V500-L504 HydrophobicContact CG1-CG 4.35Å; V500-L504 WeakPolarHBondContact O-CB 3.2Å; V500-L504 VanDerWaalsContact O-CG 3.3Å; V500-L504 WeakPolarHBondContact O-CG 3.46Å; V500-L504 PolarHBondContact O-N 3.46Å |
| 501 | F | 50.9 | Low | 54.8 | Low | 125 Ų | 125 | 104.1 Ų | 104.1 | 55% | 0.548 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.4 | -43.5 | 177.2 | -174.1 | -97.2 | 0 | 0 | 0 | 112.4 | F489 F497 L504 S505 | F489-F501 HydrophobicContact CZ-CD2 4.17Å; F497-F501 VanDerWaalsContact O-CB 3.28Å; F497-F501 WeakPolarHBondContact O-CB 3.44Å; F497-F501 PolarHBondContact O-N 3.39Å; F501-L504 PolarHBondContact O-N 2.99Å; F501-S505 VanDerWaalsContact O-CB 3.32Å; F501-S505 WeakPolarHBondContact O-CB 3.39Å; F501-S505 PolarHBondContact O-N 3.31Å |
| 502 | Q | 48.5 | Very low | 54.2 | Low | 102 Ų | 102 | 102.1 Ų | 102.1 | 48% | 0.477 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.9 | -38.4 | 175.4 | -76.7 | 178.1 | -27.9 | 0 | 0 | 112.4 | K498 E499 S505 N506 | K498-Q502 WeakPolarHBondContact O-CB 3.48Å; K498-Q502 PolarHBondContact O-N 3.39Å; K498-Q502 WeakPolarHBondContact O-CG 3.38Å; E499-Q502 PolarHBondContact O-N 2.79Å; Q502-S505 PolarHBondContact O-N 3.47Å; Q502-N506 WeakPolarHBondContact O-CB 3.49Å; Q502-N506 VanDerWaalsContact O-CG 3.27Å; Q502-N506 PolarHBondContact O-N 3.13Å; Q502-N506 VanDerWaalsContact O-N 3.12Å; Q502-N506 PolarHBondContact O-ND2 3.33Å |
| 503 | T | 53.7 | Low | 53.8 | Low | 75 Ų | 75 | 106.7 Ų | 106.7 | 46% | 0.46 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.5 | -41.6 | 178 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | E499 V500 S505 N506 R507 | E499-T503 VanDerWaalsContact O-CB 3.3Å; E499-T503 WeakPolarHBondContact O-CB 3.49Å; E499-T503 PolarHBondContact O-N 2.92Å; E499-T503 PolarHBondContact O-OG1 3.08Å; V500-T503 PolarHBondContact O-N 3.01Å; T503-S505 VanDerWaalsContact C-N 3.31Å; T503-N506 PolarHBondContact O-N 3.18Å; T503-R507 PolarHBondContact O-N 3.36Å |
| 504 | L | 47.6 | Very low | 53.6 | Low | 62 Ų | 62 | 105.4 Ų | 105.4 | 33% | 0.325 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.2 | -29.4 | 174.9 | -70.1 | 173.5 | 0 | 0 | 0 | 112.3 | V500 F501 N506 | V500-L504 HydrophobicContact CG1-CD1 3.84Å; V500-L504 HydrophobicContact CG1-CG 4.35Å; V500-L504 WeakPolarHBondContact O-CB 3.2Å; V500-L504 VanDerWaalsContact O-CG 3.3Å; V500-L504 WeakPolarHBondContact O-CG 3.46Å; V500-L504 PolarHBondContact O-N 3.46Å; F501-L504 PolarHBondContact O-N 2.99Å; L504-N506 VanDerWaalsContact C-N 3.35Å |
| 505 | S | 42.6 | Very low | 53.3 | Low | 80 Ų | 80 | 107.8 Ų | 107.8 | 56% | 0.559 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -76.8 | -19.7 | 176.1 | -173.9 | 0 | 0 | 0 | 0 | 113.8 | F501 Q502 T503 | F501-S505 VanDerWaalsContact O-CB 3.32Å; F501-S505 WeakPolarHBondContact O-CB 3.39Å; F501-S505 PolarHBondContact O-N 3.31Å; Q502-S505 PolarHBondContact O-N 3.47Å; T503-S505 VanDerWaalsContact C-N 3.31Å |
| 506 | N | 38.9 | Very low | 52.5 | Low | 139 Ų | 139 | 113.2 Ų | 113.2 | 74% | 0.743 | 55% | 0.545 | S | S | * | . | trans | -101.9 | -5.1 | -178.2 | -71 | -18.3 | 0 | 0 | 0 | 113.3 | Q502 T503 L504 | Q502-N506 WeakPolarHBondContact O-CB 3.49Å; Q502-N506 VanDerWaalsContact O-CG 3.27Å; Q502-N506 PolarHBondContact O-N 3.13Å; Q502-N506 VanDerWaalsContact O-N 3.12Å; Q502-N506 PolarHBondContact O-ND2 3.33Å; T503-N506 PolarHBondContact O-N 3.18Å; L504-N506 VanDerWaalsContact C-N 3.35Å | ||
| 507 | R | 37.8 | Very low | 51.1 | Low | 235 Ų | 235 | 111.5 Ų | 111.5 | 89% | 0.887 | 53% | 0.53 | S | S | * | . | trans | -97.6 | 0 | 171 | -78 | -174 | 178.2 | -167.2 | 1.3 | 109.8 | T503 | T503-R507 PolarHBondContact O-N 3.36Š|
Retrieved 507 of 507 residues in 527.8 ms
(Link to these results)