| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.3 | Very low | 31 | Very low | 252 Ų | 252 | 172 Ų | 172 | 100% | 1.241 | 86% | 0.864 | S | S | * | * | 0 | 136 | 0 | -75.3 | -176.5 | -153.9 | 0 | 0 | 109.3 | |||||
| 2 | S | 33 | Very low | 30.9 | Very low | 109 Ų | 109 | 163.2 Ų | 163.2 | 76% | 0.762 | 85% | 0.849 | S | S | * | * | trans | -31.8 | 141.4 | -179.8 | -168.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 3 | R | 30.9 | Very low | 30.8 | Very low | 214 Ų | 214 | 156.2 Ų | 156.2 | 81% | 0.808 | 84% | 0.842 | S | S | * | * | 146.1 | 131.5 | 129 | -83.1 | 177 | 176 | 176.1 | -0.3 | 109.4 | |||||
| 4 | R | 30.8 | Very low | 30.8 | Very low | 226 Ų | 226 | 158.6 Ų | 158.6 | 85% | 0.853 | 85% | 0.845 | S | S | * | * | cis | -157.9 | 142.6 | 20 | -108.1 | 164.1 | 176.5 | 173.5 | -2.6 | 109.2 | ||||
| 5 | R | 31.6 | Very low | 30.8 | Very low | 247 Ų | 247 | 155 Ų | 155 | 93% | 0.932 | 84% | 0.837 | S | S | * | * | trans | -78.3 | 144.7 | 160.7 | -82.8 | 177.3 | 169.6 | 172 | -5 | 109.9 | ||||
| 6 | H | 27.1 | Very low | 31.3 | Very low | 196 Ų | 196 | 157.1 Ų | 157.1 | 91% | 0.907 | 84% | 0.839 | S | S | * | * | trans | -135.8 | 138.8 | 150 | -139.2 | 57.5 | 0 | 0 | 0 | 108.9 | ||||
| 7 | S | 30.2 | Very low | 31.6 | Very low | 93 Ų | 93 | 159.6 Ų | 159.6 | 65% | 0.65 | 84% | 0.841 | S | S | * | * | trans | -109.7 | 134.8 | -172.7 | -151.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 8 | D | 31.6 | Very low | 32.1 | Very low | 159 Ų | 159 | 163.9 Ų | 163.9 | 85% | 0.85 | 84% | 0.844 | S | S | * | * | trans | 47.9 | 140.2 | 143.1 | -52.9 | -41.8 | 0 | 0 | 0 | 124.8 | ||||
| 9 | G | 27.5 | Very low | 32.6 | Very low | 78 Ų | 78 | 168.1 Ų | 168.1 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | trans | 126.7 | 115.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 10 | D | 28.1 | Very low | 33.2 | Very low | 164 Ų | 164 | 172.1 Ų | 172.1 | 88% | 0.877 | 85% | 0.852 | S | S | * | * | cis | -165.8 | 156.6 | 22.2 | -167.4 | 11.5 | 0 | 0 | 0 | 107.8 | ||||
| 11 | D | 37.3 | Very low | 33.9 | Very low | 154 Ų | 154 | 167.5 Ų | 167.5 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | trans | -71.9 | 139.2 | -171.9 | -157.4 | -5.1 | 0 | 0 | 0 | 112.1 | ||||
| 12 | G | 29.4 | Very low | 35 | Very low | 66 Ų | 66 | 158.4 Ų | 158.4 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | -168.9 | 52.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q14 | G12-Q14 PolarHBondContact O-N 2.93Å; G12-Q14 VanDerWaalsContact O-N 3.09Å | ||
| 13 | G | 29 | Very low | 36.3 | Very low | 73 Ų | 73 | 160.6 Ų | 160.6 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -55 | 110.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S15 | G13-S15 PolarHBondContact O-N 3.14Š| ||
| 14 | Q | 31.8 | Very low | 38 | Very low | 189 Ų | 189 | 153.5 Ų | 153.5 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -76.2 | 102.9 | 162.5 | -84.5 | -176.4 | -6.4 | 0 | 0 | 109 | G12 H16 | G12-Q14 PolarHBondContact O-N 2.93Å; G12-Q14 VanDerWaalsContact O-N 3.09Å; Q14-H16 PolarHBondContact O-N 3.03Å; Q14-H16 VanDerWaalsContact O-N 3.07Å | ||
| 15 | S | 31 | Very low | 40 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -58.6 | 108.1 | 167.7 | 60.7 | 0 | 0 | 0 | 0 | 110 | G13 K17 | G13-S15 PolarHBondContact O-N 3.14Å; S15-K17 PolarHBondContact O-N 3.27Å | ||
| 16 | H | 38.2 | Very low | 42.4 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | trans | -59.3 | 105.3 | 159.8 | -83.1 | -69.8 | 0 | 0 | 0 | 108.1 | Q14 R18 | Q14-H16 PolarHBondContact O-N 3.03Å; Q14-H16 VanDerWaalsContact O-N 3.07Å; H16-R18 VanDerWaalsContact C-N 3.34Å; H16-R18 PolarHBondContact O-N 2.9Å | ||
| 17 | K | 36 | Very low | 45 | Very low | 200 Ų | 200 | 132.7 Ų | 132.7 | 87% | 0.87 | 70% | 0.702 | S | S | * | * | trans | -59.5 | 97.6 | 167.3 | -82.6 | -179.4 | 175.3 | 175.7 | 0 | 108.1 | S15 R19 | S15-K17 PolarHBondContact O-N 3.27Å; K17-R19 PolarHBondContact O-N 3.08Å; K17-R19 VanDerWaalsContact O-N 3.15Å | ||
| 18 | R | 41.5 | Very low | 47.7 | Very low | 238 Ų | 238 | 131.1 Ų | 131.1 | 90% | 0.898 | 68% | 0.684 | S | S | * | * | trans | -53 | 117.5 | 157.2 | -87.1 | -179.9 | 169.1 | 175.3 | -4.1 | 106.6 | H16 R20 | H16-R18 VanDerWaalsContact C-N 3.34Å; H16-R18 PolarHBondContact O-N 2.9Å; R18-R20 PolarHBondContact O-N 3Å; R18-R20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | R | 42 | Very low | 50.4 | Low | 243 Ų | 243 | 128 Ų | 128 | 92% | 0.917 | 67% | 0.667 | S | S | * | * | trans | -50 | 117.7 | 163.9 | -101.5 | 176.8 | 167.2 | 172.4 | -4.4 | 106.6 | K17 T21 | K17-R19 PolarHBondContact O-N 3.08Å; K17-R19 VanDerWaalsContact O-N 3.15Å; R19-T21 PolarHBondContact O-N 3.09Å | ||
| 20 | R | 43.6 | Very low | 53.5 | Low | 247 Ų | 247 | 131.6 Ų | 131.6 | 93% | 0.932 | 66% | 0.656 | S | S | * | * | trans | -59.9 | 106.3 | 166.9 | -89.1 | 178.6 | 166.2 | 174.2 | -6.3 | 106.9 | R18 | R18-R20 PolarHBondContact O-N 3Å; R18-R20 VanDerWaalsContact O-N 3.09Å | ||
| 21 | T | 48 | Very low | 56.5 | Low | 77 Ų | 77 | 123.9 Ų | 123.9 | 47% | 0.472 | 62% | 0.615 | S | S | . | * | trans | -53.7 | 134.9 | 153 | 21.6 | 0 | 0 | 0 | 0 | 107.2 | R19 E26 | R19-T21 PolarHBondContact O-N 3.09Å; T21-E26 WeakPolarHBondContact CB-OE1 3.37Å; T21-E26 PolarHBondContact OG1-OE1 3.22Å | ||
| 22 | S | 55.4 | Low | 59.2 | Low | 61 Ų | 61 | 120.7 Ų | 120.7 | 43% | 0.427 | 60% | 0.595 | S | S | . | * | trans | -70.6 | 138.6 | 177.6 | 49.4 | 0 | 0 | 0 | 0 | 109 | P24 I25 E26 | S22-P24 WeakPolarHBondContact O-CD 3.36Å; S22-I25 PolarHBondContact O-N 2.97Å; S22-I25 VanDerWaalsContact OG-CD1 3.26Å; S22-I25 WeakPolarHBondContact OG-CD1 3.24Å; S22-I25 WeakPolarHBondContact OG-CG1 3.44Å; S22-E26 PolarHBondContact O-N 2.9Å | ||
| 23 | E | 62.1 | Low | 62.3 | Low | 155 Ų | 155 | 120.3 Ų | 120.3 | 72% | 0.724 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -46.1 | -35.9 | -179.6 | -68.6 | 178.4 | 165.8 | 0 | 0 | 114.9 | I25 E26 I27 | E23-I25 PolarHBondContact O-N 2.9Å; E23-E26 PolarHBondContact O-N 3.07Å; E23-I27 WeakPolarHBondContact O-CG1 3.31Å; E23-I27 PolarHBondContact O-N 2.91Å |
| 24 | P | 66.4 | Low | 65.4 | Low | 65 Ų | 65 | 119.8 Ų | 119.8 | 42% | 0.422 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.6 | -35.9 | 176.4 | -23.1 | 34.7 | 0 | 0 | 0 | 114.2 | S22 I27 E28 | S22-P24 WeakPolarHBondContact O-CD 3.36Å; P24-I27 PolarHBondContact O-N 3.3Å; P24-E28 WeakPolarHBondContact O-CG 3.5Å; P24-E28 PolarHBondContact O-N 3.39Å; P24-E28 VanDerWaalsContact O-N 3.13Å |
| 25 | I | 73.3 | Confident | 68.4 | Low | 77 Ų | 77 | 110.8 Ų | 110.8 | 40% | 0.395 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.9 | -37.9 | 179.8 | -63 | 175.2 | 0 | 0 | 0 | 109.8 | S22 E23 I27 E28 D29 | S22-I25 PolarHBondContact O-N 2.97Å; S22-I25 VanDerWaalsContact OG-CD1 3.26Å; S22-I25 WeakPolarHBondContact OG-CD1 3.24Å; S22-I25 WeakPolarHBondContact OG-CG1 3.44Å; E23-I25 PolarHBondContact O-N 2.9Å; I25-I27 VanDerWaalsContact C-N 3.32Å; I25-I27 PolarHBondContact O-N 3.12Å; I25-E28 PolarHBondContact O-N 3.29Å; I25-D29 PolarHBondContact O-N 2.82Å |
| 26 | E | 80.3 | Confident | 71.4 | Confident | 99 Ų | 99 | 107.9 Ų | 107.9 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -34 | 178.5 | -62 | -176.3 | 173.5 | 0 | 0 | 112.3 | T21 S22 E23 R30 | T21-E26 WeakPolarHBondContact CB-OE1 3.37Å; T21-E26 PolarHBondContact OG1-OE1 3.22Å; S22-E26 PolarHBondContact O-N 2.9Å; E23-E26 PolarHBondContact O-N 3.07Å; E26-R30 VanDerWaalsContact O-CB 3.27Å; E26-R30 WeakPolarHBondContact O-CB 3.3Å; E26-R30 PolarHBondContact O-N 3.19Å |
| 27 | I | 82.9 | Confident | 74 | Confident | 56 Ų | 56 | 106.2 Ų | 106.2 | 29% | 0.287 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.6 | -42.3 | 174.9 | -64.5 | 167.9 | 0 | 0 | 0 | 110.8 | E23 P24 I25 R30 L31 Y64 | E23-I27 WeakPolarHBondContact O-CG1 3.31Å; E23-I27 PolarHBondContact O-N 2.91Å; P24-I27 PolarHBondContact O-N 3.3Å; I25-I27 VanDerWaalsContact C-N 3.32Å; I25-I27 PolarHBondContact O-N 3.12Å; I27-R30 WeakPolarHBondContact O-CB 3.28Å; I27-R30 PolarHBondContact O-N 3.34Å; I27-L31 HydrophobicContact CG2-CD1 4.34Å; I27-L31 WeakPolarHBondContact O-CG 3.31Å; I27-L31 PolarHBondContact O-N 3.26Å; I27-Y64 WeakPolarHBondContact CD1-OH 3.41Å; I27-Y64 HydrophobicContact CG2-CD2 4.29Å; I27-Y64 HydrophobicContact CG2-CE1 4.31Å; I27-Y64 HydrophobicContact CG2-CE2 3.72Å |
| 28 | E | 85.7 | Confident | 76.7 | Confident | 60 Ų | 60 | 97.2 Ų | 97.2 | 28% | 0.28 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.4 | -72.8 | -171.2 | -162.6 | 0 | 0 | 112.5 | P24 I25 R30 L31 E32 Y64 K67 | P24-E28 WeakPolarHBondContact O-CG 3.5Å; P24-E28 PolarHBondContact O-N 3.39Å; P24-E28 VanDerWaalsContact O-N 3.13Å; I25-E28 PolarHBondContact O-N 3.29Å; E28-R30 VanDerWaalsContact C-N 3.28Å; E28-R30 PolarHBondContact O-N 3.37Å; E28-L31 PolarHBondContact O-N 3.3Å; E28-E32 PolarHBondContact O-N 3.16Å; E28-Y64 HydrophobicContact CG-CD1 4.17Å; E28-Y64 HydrophobicContact CG-CE1 4.15Å; E28-K67 HydrophobicContact CB-CG 4.48Å; E28-K67 HydrophobicContact CG-CD 4.4Å; E28-K67 HydrophobicContact CG-CG 4.11Å; E28-K67 WeakPolarHBondContact OE2-CE 3.32Å; E28-K67 IonicContact OE2-NZ 2.75Å; E28-K67 PolarHBondContact OE2-NZ 3.32Å |
| 29 | D | 88.8 | Confident | 78.9 | Confident | 93 Ų | 93 | 87.7 Ų | 87.7 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.4 | -35.7 | 177.1 | -70.6 | -13.7 | 0 | 0 | 0 | 111.1 | I25 S33 | I25-D29 PolarHBondContact O-N 2.82Å; D29-S33 WeakPolarHBondContact O-CB 3.4Å; D29-S33 PolarHBondContact O-N 2.96Å |
| 30 | R | 92.5 | Very high | 81.2 | Confident | 153 Ų | 153 | 80.5 Ų | 80.5 | 58% | 0.577 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.2 | -45.2 | 173.7 | 178.8 | -175.7 | 172.1 | -157.9 | -5.2 | 111.6 | E26 I27 E28 E32 S33 L34 | E26-R30 VanDerWaalsContact O-CB 3.27Å; E26-R30 WeakPolarHBondContact O-CB 3.3Å; E26-R30 PolarHBondContact O-N 3.19Å; I27-R30 WeakPolarHBondContact O-CB 3.28Å; I27-R30 PolarHBondContact O-N 3.34Å; E28-R30 VanDerWaalsContact C-N 3.28Å; E28-R30 PolarHBondContact O-N 3.37Å; R30-E32 VanDerWaalsContact C-N 3.34Å; R30-S33 PolarHBondContact O-N 3.38Å; R30-L34 HydrophobicContact CG-CD1 4.1Å; R30-L34 HydrophobicContact CG-CG 4.43Å; R30-L34 VanDerWaalsContact O-CG 3.31Å; R30-L34 WeakPolarHBondContact O-CG 3.42Å; R30-L34 PolarHBondContact O-N 3.24Å |
| 31 | L | 92.3 | Very high | 83.2 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.01 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 178.1 | -72.9 | 171.9 | 0 | 0 | 0 | 111.1 | I27 E28 L34 I35 L57 D60 Y64 I68 I71 | I27-L31 HydrophobicContact CG2-CD1 4.34Å; I27-L31 WeakPolarHBondContact O-CG 3.31Å; I27-L31 PolarHBondContact O-N 3.26Å; E28-L31 PolarHBondContact O-N 3.3Å; L31-L34 PolarHBondContact O-N 2.88Å; L31-I35 WeakPolarHBondContact O-CG1 3.2Å; L31-I35 PolarHBondContact O-N 2.62Å; L31-L57 HydrophobicContact CD2-CD2 3.68Å; L31-D60 HydrophobicContact CD2-CB 4.38Å; L31-Y64 HydrophobicContact CD1-CD2 4.44Å; L31-Y64 HydrophobicContact CD1-CG 4.05Å; L31-I68 HydrophobicContact CD1-CD1 4.48Å; L31-I68 HydrophobicContact CD1-CG1 4.21Å; L31-I71 HydrophobicContact CB-CD1 4.35Å |
| 32 | E | 93.4 | Very high | 85.1 | Confident | 87 Ų | 87 | 77.3 Ų | 77.3 | 41% | 0.407 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 175.9 | -171.7 | 168.8 | 169.9 | 0 | 0 | 111.4 | E28 R30 L34 I35 C36 I71 | E28-E32 PolarHBondContact O-N 3.16Å; R30-E32 VanDerWaalsContact C-N 3.34Å; E32-L34 PolarHBondContact O-N 3.33Å; E32-I35 PolarHBondContact O-N 2.93Å; E32-C36 WeakPolarHBondContact O-CB 3.07Å; E32-C36 PolarHBondContact O-N 3.07Å; E32-C36 PolarHBondContact O-SG 3.29Å; E32-I71 HydrophobicContact CB-CD1 3.94Å; E32-I71 HydrophobicContact CB-CG1 4.47Å; E32-I71 HydrophobicContact CG-CG2 4.47Å |
| 33 | S | 93.3 | Very high | 86.8 | Confident | 58 Ų | 58 | 81.5 Ų | 81.5 | 41% | 0.406 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 176.4 | -168.4 | 0 | 0 | 0 | 0 | 112.7 | D29 R30 C36 R37 | D29-S33 WeakPolarHBondContact O-CB 3.4Å; D29-S33 PolarHBondContact O-N 2.96Å; R30-S33 PolarHBondContact O-N 3.38Å; S33-C36 PolarHBondContact O-N 3.34Å; S33-R37 WeakPolarHBondContact O-CB 3.46Å; S33-R37 WeakPolarHBondContact O-CG 3.41Å; S33-R37 PolarHBondContact O-N 3.26Å |
| 34 | L | 94.6 | Very high | 88.2 | Confident | 63 Ų | 63 | 76.9 Ų | 76.9 | 33% | 0.33 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 179.4 | -72.7 | 172.4 | 0 | 0 | 0 | 111.8 | R30 L31 E32 R37 V38 L53 V56 | R30-L34 HydrophobicContact CG-CD1 4.1Å; R30-L34 HydrophobicContact CG-CG 4.43Å; R30-L34 VanDerWaalsContact O-CG 3.31Å; R30-L34 WeakPolarHBondContact O-CG 3.42Å; R30-L34 PolarHBondContact O-N 3.24Å; L31-L34 PolarHBondContact O-N 2.88Å; E32-L34 PolarHBondContact O-N 3.33Å; L34-R37 PolarHBondContact O-N 3.2Å; L34-V38 PolarHBondContact O-N 3.48Å; L34-L53 HydrophobicContact CB-CD1 3.83Å; L34-V56 HydrophobicContact CD1-CG1 4.23Å |
| 35 | I | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 178.3 | -64.9 | 166.4 | 0 | 0 | 0 | 110.9 | L31 E32 R37 V38 L57 I71 L72 V75 Y86 | L31-I35 WeakPolarHBondContact O-CG1 3.2Å; L31-I35 PolarHBondContact O-N 2.62Å; E32-I35 PolarHBondContact O-N 2.93Å; I35-R37 VanDerWaalsContact C-N 3.31Å; I35-R37 PolarHBondContact O-N 3.4Å; I35-V38 WeakPolarHBondContact O-CG1 3.49Å; I35-L57 HydrophobicContact CD1-CD1 4.21Å; I35-L57 HydrophobicContact CD1-CD2 3.98Å; I35-L57 HydrophobicContact CG1-CD1 4.14Å; I35-L57 HydrophobicContact CG1-CD2 4.21Å; I35-I71 HydrophobicContact CB-CG2 3.99Å; I35-I71 HydrophobicContact CD1-CB 4.04Å; I35-I71 HydrophobicContact CD1-CD1 4.37Å; I35-I71 HydrophobicContact CD1-CG2 3.61Å; I35-I71 HydrophobicContact CG1-CG2 4.4Å; I35-I71 HydrophobicContact CG2-CG2 3.87Å; I35-L72 HydrophobicContact CD1-CD2 4.4Å; I35-L72 HydrophobicContact CG2-CD2 4.08Å; I35-V75 HydrophobicContact CG2-CG1 4.09Å; I35-V75 HydrophobicContact CG2-CG2 4.18Å; I35-Y86 HydrophobicContact CG2-CD1 4.49Å; I35-Y86 HydrophobicContact CG2-CE1 3.9Å; I35-Y86 VanDerWaalsContact O-CE1 3.24Å; I35-Y86 WeakPolarHBondContact O-CE1 3.29Å; I35-Y86 PolarHBondContact O-OH 3.12Å |
| 36 | C | 93.3 | Very high | 90.6 | Very high | 43 Ų | 43 | 75.4 Ų | 75.4 | 29% | 0.291 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.2 | -33.6 | 178.5 | -72.8 | 0 | 0 | 0 | 0 | 112.3 | E32 S33 K82 | E32-C36 WeakPolarHBondContact O-CB 3.07Å; E32-C36 PolarHBondContact O-N 3.07Å; E32-C36 PolarHBondContact O-SG 3.29Å; S33-C36 PolarHBondContact O-N 3.34Å; C36-K82 PolarHBondContact O-NZ 3.04Å |
| 37 | R | 92.4 | Very high | 91.3 | Very high | 154 Ų | 154 | 74.4 Ų | 74.4 | 58% | 0.581 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -89 | -15.7 | -174.4 | -67.4 | -179.8 | 68.4 | -162.9 | -3 | 115.5 | S33 L34 I35 G39 E40 | S33-R37 WeakPolarHBondContact O-CB 3.46Å; S33-R37 WeakPolarHBondContact O-CG 3.41Å; S33-R37 PolarHBondContact O-N 3.26Å; L34-R37 PolarHBondContact O-N 3.2Å; I35-R37 VanDerWaalsContact C-N 3.31Å; I35-R37 PolarHBondContact O-N 3.4Å; R37-G39 PolarHBondContact O-N 2.86Å; R37-E40 IonicContact NE-OE2 3.25Å; R37-E40 VanDerWaalsContact O-CB 3.27Å; R37-E40 WeakPolarHBondContact O-CB 3.29Å; R37-E40 WeakPolarHBondContact O-CG 3.38Å; R37-E40 PolarHBondContact O-N 3.12Å |
| 38 | V | 93.4 | Very high | 92 | Very high | 10 Ų | 10 | 75 Ų | 75 | 6% | 0.061 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 131.6 | 177.7 | 71 | 0 | 0 | 0 | 0 | 110.5 | L34 I35 N49 L50 L53 K82 V85 Y86 | L34-V38 PolarHBondContact O-N 3.48Å; I35-V38 WeakPolarHBondContact O-CG1 3.49Å; V38-N49 HydrophobicContact CG2-CB 4.42Å; V38-L50 HydrophobicContact CG2-CD2 3.88Å; V38-L50 HydrophobicContact CG2-CG 4.24Å; V38-L53 HydrophobicContact CB-CD2 3.76Å; V38-L53 HydrophobicContact CG1-CD2 3.86Å; V38-L53 HydrophobicContact CG2-CD2 4.08Å; V38-K82 WeakPolarHBondContact O-CE 3.13Å; V38-K82 PolarHBondContact O-NZ 3.3Å; V38-V85 HydrophobicContact CG1-CG1 4.06Å; V38-V85 HydrophobicContact CG2-CG1 4.37Å; V38-Y86 HydrophobicContact CG1-CD1 4.45Å; V38-Y86 HydrophobicContact CG1-CE1 3.85Å |
| 39 | G | 88.8 | Confident | 92.5 | Very high | 39 Ų | 39 | 74.1 Ų | 74.1 | 40% | 0.402 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R37 | R37-G39 PolarHBondContact O-N 2.86Š|
| 40 | E | 89.1 | Confident | 92.9 | Very high | 91 Ų | 91 | 69.7 Ų | 69.7 | 43% | 0.425 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -74.9 | 172.1 | 167.3 | -64.6 | 178.9 | 175.9 | 0 | 0 | 111.8 | R37 S42 | R37-E40 IonicContact NE-OE2 3.25Å; R37-E40 VanDerWaalsContact O-CB 3.27Å; R37-E40 WeakPolarHBondContact O-CB 3.29Å; R37-E40 WeakPolarHBondContact O-CG 3.38Å; R37-E40 PolarHBondContact O-N 3.12Å; E40-S42 PolarHBondContact O-N 3.22Å; E40-S42 VanDerWaalsContact O-N 3.16Å |
| 41 | K | 85.4 | Confident | 93.1 | Very high | 194 Ų | 194 | 65.6 Ų | 65.6 | 84% | 0.843 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -55 | 121.2 | 175.6 | -66.3 | -178.9 | -177.9 | 176.8 | 0 | 110.4 | ||
| 42 | S | 89.6 | Confident | 93.3 | Very high | 63 Ų | 63 | 67.5 Ų | 67.5 | 44% | 0.441 | 38% | 0.381 | S | S | . | . | trans | -136.9 | 157.2 | -178.9 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | E40 S44 N49 | E40-S42 PolarHBondContact O-N 3.22Å; E40-S42 VanDerWaalsContact O-N 3.16Å; S42-S44 VanDerWaalsContact C-N 3.28Å; S42-S44 PolarHBondContact OG-N 3.49Å; S42-N49 WeakPolarHBondContact CB-ND2 3.43Å; S42-N49 PolarHBondContact OG-ND2 3.04Å | ||
| 43 | T | 89.1 | Confident | 93.5 | Very high | 150 Ų | 150 | 64 Ų | 64 | 92% | 0.92 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -74.9 | -21 | 171 | 51.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 44 | S | 92.6 | Very high | 93.7 | Very high | 57 Ų | 57 | 61.2 Ų | 61.2 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -99.4 | 156.3 | 178.2 | -58.6 | 0 | 0 | 0 | 0 | 111 | S42 N49 | S42-S44 VanDerWaalsContact C-N 3.28Å; S42-S44 PolarHBondContact OG-N 3.49Å; S44-N49 WeakPolarHBondContact CB-OD1 3.33Å; S44-N49 PolarHBondContact O-ND2 3.5Å; S44-N49 VanDerWaalsContact O-ND2 3.16Å |
| 45 | S | 94.4 | Very high | 93.8 | Very high | 61 Ų | 61 | 59.4 Ų | 59.4 | 43% | 0.427 | 34% | 0.342 | S | S | . | . | trans | -62.8 | 156.5 | 176.5 | 89.1 | 0 | 0 | 0 | 0 | 111.6 | E47 S48 N49 | S45-E47 WeakPolarHBondContact CB-OE2 3.45Å; S45-E47 PolarHBondContact O-N 3.21Å; S45-E47 PolarHBondContact OG-N 2.97Å; S45-E47 PolarHBondContact OG-OE2 3.48Å; S45-S48 PolarHBondContact O-N 3.36Å; S45-S48 PolarHBondContact OG-N 3.04Å; S45-N49 VanDerWaalsContact O-CG 3.32Å; S45-N49 PolarHBondContact O-N 3.42Å; S45-N49 PolarHBondContact O-ND2 3.38Å | ||
| 46 | L | 94.8 | Very high | 93.9 | Very high | 51 Ų | 51 | 61.7 Ų | 61.7 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.8 | -39.4 | 178.3 | 178.7 | 56.7 | 0 | 0 | 0 | 111.1 | N49 L50 V85 P252 | L46-N49 PolarHBondContact O-N 3.23Å; L46-L50 HydrophobicContact CD1-CD1 4.09Å; L46-L50 HydrophobicContact CD1-CG 4.15Å; L46-L50 HydrophobicContact CG-CD1 3.88Å; L46-L50 HydrophobicContact CG-CG 4.41Å; L46-L50 WeakPolarHBondContact O-CB 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.42Å; L46-L50 PolarHBondContact O-N 3.09Å; L46-V85 HydrophobicContact CD1-CG1 4.25Å; L46-V85 HydrophobicContact CD2-CG2 4.33Å; L46-P252 HydrophobicContact CD2-CB 4.15Å; L46-P252 HydrophobicContact CD2-CG 3.79Å |
| 47 | E | 96.3 | Very high | 94 | Very high | 78 Ų | 78 | 59.7 Ų | 59.7 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 177.4 | -55.2 | 76.8 | -168.3 | 0 | 0 | 110.7 | S45 N49 L50 E51 A255 F256 | S45-E47 WeakPolarHBondContact CB-OE2 3.45Å; S45-E47 PolarHBondContact O-N 3.21Å; S45-E47 PolarHBondContact OG-N 2.97Å; S45-E47 PolarHBondContact OG-OE2 3.48Å; E47-N49 VanDerWaalsContact C-N 3.31Å; E47-N49 PolarHBondContact O-N 2.79Å; E47-L50 PolarHBondContact O-N 3.39Å; E47-E51 WeakPolarHBondContact O-CB 3.44Å; E47-E51 PolarHBondContact O-N 3.38Å; E47-A255 HydrophobicContact CG-CB 3.75Å; E47-F256 HydrophobicContact CB-CE2 4.03Å; E47-F256 HydrophobicContact CB-CZ 3.7Å; E47-F256 HydrophobicContact CG-CE2 4.12Å; E47-F256 HydrophobicContact CG-CZ 4.3Å; E47-F256 WeakPolarHBondContact O-CZ 3.27Å |
| 48 | S | 96.3 | Very high | 94.2 | Very high | 67 Ų | 67 | 55.6 Ų | 55.6 | 47% | 0.469 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 177.9 | 176.7 | 0 | 0 | 0 | 0 | 112.5 | S45 G52 | S45-S48 PolarHBondContact O-N 3.36Å; S45-S48 PolarHBondContact OG-N 3.04Å; S48-G52 PolarHBondContact O-N 3.14Å |
| 49 | N | 96.9 | Very high | 94.3 | Very high | 43 Ų | 43 | 58.6 Ų | 58.6 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 177.9 | -65.3 | -42.5 | 0 | 0 | 0 | 111.9 | V38 S42 S44 S45 L46 E47 L53 | V38-N49 HydrophobicContact CG2-CB 4.42Å; S42-N49 WeakPolarHBondContact CB-ND2 3.43Å; S42-N49 PolarHBondContact OG-ND2 3.04Å; S44-N49 WeakPolarHBondContact CB-OD1 3.33Å; S44-N49 PolarHBondContact O-ND2 3.5Å; S44-N49 VanDerWaalsContact O-ND2 3.16Å; S45-N49 VanDerWaalsContact O-CG 3.32Å; S45-N49 PolarHBondContact O-N 3.42Å; S45-N49 PolarHBondContact O-ND2 3.38Å; L46-N49 PolarHBondContact O-N 3.23Å; E47-N49 VanDerWaalsContact C-N 3.31Å; E47-N49 PolarHBondContact O-N 2.79Å; N49-L53 VanDerWaalsContact O-CB 3.26Å; N49-L53 WeakPolarHBondContact O-CB 3.24Å; N49-L53 PolarHBondContact O-N 2.88Å |
| 50 | L | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 177.1 | -78.4 | 168.4 | 0 | 0 | 0 | 111.7 | V38 L46 E47 G52 L53 A54 V85 T88 L89 L92 P252 F256 | V38-L50 HydrophobicContact CG2-CD2 3.88Å; V38-L50 HydrophobicContact CG2-CG 4.24Å; L46-L50 HydrophobicContact CD1-CD1 4.09Å; L46-L50 HydrophobicContact CD1-CG 4.15Å; L46-L50 HydrophobicContact CG-CD1 3.88Å; L46-L50 HydrophobicContact CG-CG 4.41Å; L46-L50 WeakPolarHBondContact O-CB 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.42Å; L46-L50 PolarHBondContact O-N 3.09Å; E47-L50 PolarHBondContact O-N 3.39Å; L50-G52 PolarHBondContact O-N 3.1Å; L50-L53 PolarHBondContact O-N 2.81Å; L50-A54 WeakPolarHBondContact O-CB 3.28Å; L50-A54 PolarHBondContact O-N 3.17Å; L50-V85 HydrophobicContact CD2-CG1 3.96Å; L50-V85 WeakPolarHBondContact CD2-O 3.25Å; L50-T88 HydrophobicContact CD1-CG2 3.92Å; L50-L89 HydrophobicContact CD2-CB 3.89Å; L50-L89 HydrophobicContact CD2-CD1 4.44Å; L50-L92 HydrophobicContact CB-CD1 4.13Å; L50-P252 HydrophobicContact CD1-CB 3.97Å; L50-F256 HydrophobicContact CB-CZ 4.31Å; L50-F256 HydrophobicContact CD1-CE2 4.37Å |
| 51 | E | 96.4 | Very high | 94.9 | Very high | 67 Ų | 67 | 55 Ų | 55 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 177.9 | -172.7 | 61.3 | -153.7 | 0 | 0 | 111.4 | E47 A54 G55 R96 F256 | E47-E51 WeakPolarHBondContact O-CB 3.44Å; E47-E51 PolarHBondContact O-N 3.38Å; E51-A54 PolarHBondContact O-N 3.37Å; E51-G55 PolarHBondContact O-N 3.29Å; E51-G55 VanDerWaalsContact O-N 3.16Å; E51-R96 IonicContact OE1-CZ 2.73Å; E51-R96 IonicContact OE1-NH2 3.7Å; E51-R96 PolarHBondContact OE1-NH2 3.14Å; E51-F256 HydrophobicContact CB-CE1 4.27Å; E51-F256 WeakPolarHBondContact OE2-CE1 3.27Å |
| 52 | G | 96.7 | Very high | 95.3 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 43% | 0.433 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S48 L50 G55 V56 | S48-G52 PolarHBondContact O-N 3.14Å; L50-G52 PolarHBondContact O-N 3.1Å; G52-G55 PolarHBondContact O-N 3.04Å; G52-V56 WeakPolarHBondContact O-CG2 3.34Å; G52-V56 PolarHBondContact O-N 3.3Å; G52-V56 VanDerWaalsContact O-N 3.09Å |
| 53 | L | 97.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 54.2 Ų | 54.2 | 7% | 0.068 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 178 | -178.1 | 58.1 | 0 | 0 | 0 | 111.9 | L34 V38 N49 L50 G55 V56 L57 L89 | L34-L53 HydrophobicContact CB-CD1 3.83Å; V38-L53 HydrophobicContact CB-CD2 3.76Å; V38-L53 HydrophobicContact CG1-CD2 3.86Å; V38-L53 HydrophobicContact CG2-CD2 4.08Å; N49-L53 VanDerWaalsContact O-CB 3.26Å; N49-L53 WeakPolarHBondContact O-CB 3.24Å; N49-L53 PolarHBondContact O-N 2.88Å; L50-L53 PolarHBondContact O-N 2.81Å; L53-G55 VanDerWaalsContact C-N 3.29Å; L53-G55 PolarHBondContact O-N 3.42Å; L53-V56 PolarHBondContact O-N 3.29Å; L53-L57 HydrophobicContact CD1-CD1 4.22Å; L53-L57 HydrophobicContact CD1-CD2 4.3Å; L53-L57 HydrophobicContact CD1-CG 3.96Å; L53-L57 HydrophobicContact CG-CD1 4.03Å; L53-L57 HydrophobicContact CG-CG 4.2Å; L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 2.95Å; L53-L89 HydrophobicContact CB-CD1 4.21Å; L53-L89 HydrophobicContact CD2-CD1 4.15Å; L53-L89 HydrophobicContact CD2-CD2 3.7Å; L53-L89 HydrophobicContact CG-CD1 4.01Å; L53-L89 HydrophobicContact CG-CD2 4.28Å |
| 54 | A | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.7 | -43.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L50 E51 L57 E58 L89 L92 L93 | L50-A54 WeakPolarHBondContact O-CB 3.28Å; L50-A54 PolarHBondContact O-N 3.17Å; E51-A54 PolarHBondContact O-N 3.37Å; A54-L57 PolarHBondContact O-N 3.29Å; A54-E58 WeakPolarHBondContact O-CB 3.12Å; A54-E58 PolarHBondContact O-N 3.27Å; A54-L89 HydrophobicContact CB-CD1 4.12Å; A54-L92 HydrophobicContact CB-CB 3.81Å; A54-L92 HydrophobicContact CB-CD1 4.35Å; A54-L93 HydrophobicContact CB-CD2 4.45Å; A54-L93 WeakPolarHBondContact O-CD2 3.44Å |
| 55 | G | 96.7 | Very high | 95.9 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 26% | 0.258 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E51 G52 L53 A59 | E51-G55 PolarHBondContact O-N 3.29Å; E51-G55 VanDerWaalsContact O-N 3.16Å; G52-G55 PolarHBondContact O-N 3.04Å; L53-G55 VanDerWaalsContact C-N 3.29Å; L53-G55 PolarHBondContact O-N 3.42Å; G55-A59 PolarHBondContact O-N 3.3Å |
| 56 | V | 96.4 | Very high | 95.9 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 29% | 0.291 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.1 | -48.7 | 175 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L34 G52 L53 E58 A59 D60 | L34-V56 HydrophobicContact CD1-CG1 4.23Å; G52-V56 WeakPolarHBondContact O-CG2 3.34Å; G52-V56 PolarHBondContact O-N 3.3Å; G52-V56 VanDerWaalsContact O-N 3.09Å; L53-V56 PolarHBondContact O-N 3.29Å; V56-E58 VanDerWaalsContact C-N 3.35Å; V56-E58 PolarHBondContact O-N 3.32Å; V56-A59 PolarHBondContact O-N 2.95Å; V56-D60 PolarHBondContact O-N 3.12Å |
| 57 | L | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.5 | -40 | -178.8 | -66.7 | -178.8 | 0 | 0 | 0 | 111.8 | L31 I35 L53 A54 A59 D60 L61 I68 L89 L93 | L31-L57 HydrophobicContact CD2-CD2 3.68Å; I35-L57 HydrophobicContact CD1-CD1 4.21Å; I35-L57 HydrophobicContact CD1-CD2 3.98Å; I35-L57 HydrophobicContact CG1-CD1 4.14Å; I35-L57 HydrophobicContact CG1-CD2 4.21Å; L53-L57 HydrophobicContact CD1-CD1 4.22Å; L53-L57 HydrophobicContact CD1-CD2 4.3Å; L53-L57 HydrophobicContact CD1-CG 3.96Å; L53-L57 HydrophobicContact CG-CD1 4.03Å; L53-L57 HydrophobicContact CG-CG 4.2Å; L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 2.95Å; A54-L57 PolarHBondContact O-N 3.29Å; L57-A59 PolarHBondContact O-N 2.87Å; L57-D60 PolarHBondContact O-N 3.2Å; L57-L61 WeakPolarHBondContact O-CG 3.32Å; L57-L61 PolarHBondContact O-N 2.93Å; L57-I68 HydrophobicContact CD2-CD1 4.21Å; L57-I68 HydrophobicContact CD2-CG1 4.27Å; L57-I68 HydrophobicContact CD2-CG2 4.44Å; L57-L89 HydrophobicContact CD1-CD1 4.32Å; L57-L89 HydrophobicContact CD1-CD2 4.07Å; L57-L89 HydrophobicContact CD1-CG 4.43Å; L57-L93 HydrophobicContact CB-CD1 4.39Å; L57-L93 HydrophobicContact CB-CD2 3.91Å; L57-L93 HydrophobicContact CD1-CD1 3.93Å |
| 58 | E | 96.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 48.7 Ų | 48.7 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.3 | -47.2 | 174.4 | -177.9 | -175 | -170 | 0 | 0 | 111.9 | A54 V56 D60 L61 R96 | A54-E58 WeakPolarHBondContact O-CB 3.12Å; A54-E58 PolarHBondContact O-N 3.27Å; V56-E58 VanDerWaalsContact C-N 3.35Å; V56-E58 PolarHBondContact O-N 3.32Å; E58-D60 PolarHBondContact O-N 3.08Å; E58-L61 WeakPolarHBondContact O-CB 3.49Å; E58-L61 PolarHBondContact O-N 3.12Å; E58-R96 HydrophobicContact CG-CB 4.46Å; E58-R96 VanDerWaalsContact OE2-CD 3.3Å; E58-R96 WeakPolarHBondContact OE2-CD 3.27Å; E58-R96 IonicContact OE2-CZ 2.99Å; E58-R96 IonicContact OE2-NE 3.48Å; E58-R96 IonicContact OE2-NH1 3.73Å; E58-R96 PolarHBondContact OE2-NH1 3.13Å |
| 59 | A | 95.9 | Very high | 95.9 | Very high | 73 Ų | 73 | 46.2 Ų | 46.2 | 60% | 0.603 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.2 | -30.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G55 V56 L57 P62 | G55-A59 PolarHBondContact O-N 3.3Å; V56-A59 PolarHBondContact O-N 2.95Å; L57-A59 PolarHBondContact O-N 2.87Å; A59-P62 WeakPolarHBondContact O-CD 3.47Å |
| 60 | D | 94.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 21% | 0.214 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -91.2 | -8.3 | -179.1 | -73.6 | -31.9 | 0 | 0 | 0 | 113.8 | L31 V56 L57 E58 N63 Y64 I68 | L31-D60 HydrophobicContact CD2-CB 4.38Å; V56-D60 PolarHBondContact O-N 3.12Å; L57-D60 PolarHBondContact O-N 3.2Å; E58-D60 PolarHBondContact O-N 3.08Å; D60-N63 PolarHBondContact O-N 3.37Å; D60-Y64 HydrophobicContact CB-CD2 4.13Å; D60-Y64 WeakPolarHBondContact O-CB 3.43Å; D60-Y64 PolarHBondContact O-N 3.33Å; D60-I68 HydrophobicContact CB-CD1 4.25Å |
| 61 | L | 94.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -52.4 | -43.1 | 177.3 | -72.9 | 179.6 | 0 | 0 | 0 | 114.1 | L57 E58 N63 Y64 K65 I68 N97 F100 | L57-L61 WeakPolarHBondContact O-CG 3.32Å; L57-L61 PolarHBondContact O-N 2.93Å; E58-L61 WeakPolarHBondContact O-CB 3.49Å; E58-L61 PolarHBondContact O-N 3.12Å; L61-N63 PolarHBondContact O-N 2.97Å; L61-N63 VanDerWaalsContact O-N 3.11Å; L61-Y64 PolarHBondContact O-N 3.41Å; L61-K65 HydrophobicContact CD2-CB 4.32Å; L61-K65 HydrophobicContact CD2-CG 4.33Å; L61-K65 VanDerWaalsContact O-CB 3.23Å; L61-K65 WeakPolarHBondContact O-CB 3.29Å; L61-K65 PolarHBondContact O-N 3.4Å; L61-I68 HydrophobicContact CD2-CD1 4.04Å; L61-N97 HydrophobicContact CD1-CB 4.26Å; L61-F100 HydrophobicContact CD1-CB 4.24Å; L61-F100 HydrophobicContact CD1-CD2 4.24Å; L61-F100 HydrophobicContact CD1-CG 4.22Å; L61-F100 HydrophobicContact CD2-CD2 3.46Å; L61-F100 VanDerWaalsContact CD2-CD2 3.46Å; L61-F100 HydrophobicContact CD2-CE2 3.55Å; L61-F100 HydrophobicContact CD2-CG 4.21Å; L61-F100 HydrophobicContact CD2-CZ 4.37Å |
| 62 | P | 93.9 | Very high | 95.8 | Very high | 108 Ų | 108 | 50.5 Ų | 50.5 | 70% | 0.701 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -56.3 | -32.8 | -176.6 | -27.2 | 36.2 | 0 | 0 | 0 | 114.1 | A59 | A59-P62 WeakPolarHBondContact O-CD 3.47Å |
| 63 | N | 93.8 | Very high | 95.8 | Very high | 133 Ų | 133 | 48.9 Ų | 48.9 | 71% | 0.711 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -107.6 | -26.1 | -176.2 | -62.7 | -41.3 | 0 | 0 | 0 | 113.1 | D60 L61 | D60-N63 PolarHBondContact O-N 3.37Å; L61-N63 PolarHBondContact O-N 2.97Å; L61-N63 VanDerWaalsContact O-N 3.11Å |
| 64 | Y | 94.8 | Very high | 95.7 | Very high | 36 Ų | 36 | 49.8 Ų | 49.8 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -126.4 | 11.6 | -168.2 | -59.5 | -76.9 | 0 | 0 | 0 | 114.8 | I27 E28 L31 D60 L61 N66 K67 I68 | I27-Y64 WeakPolarHBondContact CD1-OH 3.41Å; I27-Y64 HydrophobicContact CG2-CD2 4.29Å; I27-Y64 HydrophobicContact CG2-CE1 4.31Å; I27-Y64 HydrophobicContact CG2-CE2 3.72Å; E28-Y64 HydrophobicContact CG-CD1 4.17Å; E28-Y64 HydrophobicContact CG-CE1 4.15Å; L31-Y64 HydrophobicContact CD1-CD2 4.44Å; L31-Y64 HydrophobicContact CD1-CG 4.05Å; D60-Y64 HydrophobicContact CB-CD2 4.13Å; D60-Y64 WeakPolarHBondContact O-CB 3.43Å; D60-Y64 PolarHBondContact O-N 3.33Å; L61-Y64 PolarHBondContact O-N 3.41Å; Y64-N66 VanDerWaalsContact C-N 3.31Å; Y64-N66 PolarHBondContact O-N 2.7Å; Y64-N66 VanDerWaalsContact O-N 3.16Å; Y64-K67 PolarHBondContact O-N 3.02Å; Y64-I68 WeakPolarHBondContact O-CG1 3.35Å; Y64-I68 PolarHBondContact O-N 3.06Å |
| 65 | K | 95.4 | Very high | 95.7 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 30% | 0.296 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -45.2 | -50.2 | -179.5 | -179 | 172.9 | 66.7 | 162.9 | 0 | 113.8 | L61 K67 I68 L69 F100 E103 | L61-K65 HydrophobicContact CD2-CB 4.32Å; L61-K65 HydrophobicContact CD2-CG 4.33Å; L61-K65 VanDerWaalsContact O-CB 3.23Å; L61-K65 WeakPolarHBondContact O-CB 3.29Å; L61-K65 PolarHBondContact O-N 3.4Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 3.41Å; K65-I68 PolarHBondContact O-N 2.76Å; K65-L69 HydrophobicContact CG-CD1 4.08Å; K65-L69 HydrophobicContact CG-CG 4.37Å; K65-L69 WeakPolarHBondContact O-CB 3.32Å; K65-L69 WeakPolarHBondContact O-CG 3.4Å; K65-L69 PolarHBondContact O-N 3.08Å; K65-F100 HydrophobicContact CD-CD2 4.48Å; K65-F100 HydrophobicContact CG-CD2 4.15Å; K65-F100 HydrophobicContact CG-CE2 4.47Å; K65-E103 WeakPolarHBondContact CD-OE2 3.44Å; K65-E103 WeakPolarHBondContact CE-OE2 3.17Å; K65-E103 IonicContact NZ-OE1 2.7Å; K65-E103 PolarHBondContact NZ-OE1 3.01Å; K65-E103 IonicContact NZ-OE2 2.77Å; K65-E103 PolarHBondContact NZ-OE2 3.14Å |
| 66 | N | 94.3 | Very high | 95.7 | Very high | 130 Ų | 130 | 49 Ų | 49 | 70% | 0.695 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.8 | -38.2 | -178.3 | -70.2 | -21.4 | 0 | 0 | 0 | 112.8 | Y64 R70 | Y64-N66 VanDerWaalsContact C-N 3.31Å; Y64-N66 PolarHBondContact O-N 2.7Å; Y64-N66 VanDerWaalsContact O-N 3.16Å; N66-R70 WeakPolarHBondContact O-CB 3.35Å; N66-R70 PolarHBondContact O-N 3.22Å |
| 67 | K | 93.9 | Very high | 95.6 | Very high | 47 Ų | 47 | 49.3 Ų | 49.3 | 20% | 0.204 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70 | -44.1 | 177.3 | -177.2 | 71 | 180 | -136.6 | 0 | 110.5 | E28 Y64 K65 R70 I71 | E28-K67 HydrophobicContact CB-CG 4.48Å; E28-K67 HydrophobicContact CG-CD 4.4Å; E28-K67 HydrophobicContact CG-CG 4.11Å; E28-K67 WeakPolarHBondContact OE2-CE 3.32Å; E28-K67 IonicContact OE2-NZ 2.75Å; E28-K67 PolarHBondContact OE2-NZ 3.32Å; Y64-K67 PolarHBondContact O-N 3.02Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 3.41Å; K67-R70 PolarHBondContact O-N 3.01Å; K67-I71 HydrophobicContact CD-CD1 4.29Å; K67-I71 HydrophobicContact CG-CD1 3.84Å; K67-I71 HydrophobicContact CG-CG1 4.44Å; K67-I71 VanDerWaalsContact O-CG1 3.29Å; K67-I71 WeakPolarHBondContact O-CG1 3.49Å; K67-I71 PolarHBondContact O-N 3.36Å |
| 68 | I | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 177.2 | -66.2 | 168.2 | 0 | 0 | 0 | 110.5 | L31 L57 D60 L61 Y64 K65 R70 I71 L72 F100 | L31-I68 HydrophobicContact CD1-CD1 4.48Å; L31-I68 HydrophobicContact CD1-CG1 4.21Å; L57-I68 HydrophobicContact CD2-CD1 4.21Å; L57-I68 HydrophobicContact CD2-CG1 4.27Å; L57-I68 HydrophobicContact CD2-CG2 4.44Å; D60-I68 HydrophobicContact CB-CD1 4.25Å; L61-I68 HydrophobicContact CD2-CD1 4.04Å; Y64-I68 WeakPolarHBondContact O-CG1 3.35Å; Y64-I68 PolarHBondContact O-N 3.06Å; K65-I68 PolarHBondContact O-N 2.76Å; I68-R70 VanDerWaalsContact C-N 3.32Å; I68-R70 PolarHBondContact O-N 3.46Å; I68-I71 PolarHBondContact O-N 2.93Å; I68-L72 HydrophobicContact CG2-CD1 3.83Å; I68-L72 HydrophobicContact CG2-CG 4.37Å; I68-L72 WeakPolarHBondContact O-CB 3.12Å; I68-L72 WeakPolarHBondContact O-CG 3.49Å; I68-L72 PolarHBondContact O-N 3.22Å; I68-F100 HydrophobicContact CG2-CE2 4.18Å; I68-F100 HydrophobicContact CG2-CZ 4.04Å |
| 69 | L | 96.5 | Very high | 95.4 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.5 | -48.4 | 173.9 | -74.9 | 175.3 | 0 | 0 | 0 | 111.3 | K65 I71 L72 C73 F100 E103 F104 | K65-L69 HydrophobicContact CG-CD1 4.08Å; K65-L69 HydrophobicContact CG-CG 4.37Å; K65-L69 WeakPolarHBondContact O-CB 3.32Å; K65-L69 WeakPolarHBondContact O-CG 3.4Å; K65-L69 PolarHBondContact O-N 3.08Å; L69-I71 PolarHBondContact O-N 3.14Å; L69-L72 PolarHBondContact O-N 3.04Å; L69-C73 WeakPolarHBondContact O-CB 3.42Å; L69-C73 PolarHBondContact O-N 3.42Å; L69-C73 PolarHBondContact O-SG 3.02Å; L69-C73 VanDerWaalsContact O-SG 3.32Å; L69-F100 HydrophobicContact CD2-CD2 4.1Å; L69-F100 HydrophobicContact CD2-CE2 3.5Å; L69-F100 HydrophobicContact CD2-CZ 3.88Å; L69-F100 HydrophobicContact CG-CD2 4.47Å; L69-F100 HydrophobicContact CG-CE2 3.84Å; L69-E103 HydrophobicContact CD1-CB 4.25Å; L69-F104 HydrophobicContact CD2-CB 3.65Å; L69-F104 HydrophobicContact CD2-CD2 3.89Å; L69-F104 HydrophobicContact CD2-CG 4.29Å |
| 70 | R | 95.6 | Very high | 95.3 | Very high | 192 Ų | 192 | 48.8 Ų | 48.8 | 73% | 0.725 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.9 | -43.4 | 179.5 | -174.7 | 178.8 | 177.4 | -178.9 | -0.5 | 112.6 | N66 K67 I68 A74 | N66-R70 WeakPolarHBondContact O-CB 3.35Å; N66-R70 PolarHBondContact O-N 3.22Å; K67-R70 PolarHBondContact O-N 3.01Å; I68-R70 VanDerWaalsContact C-N 3.32Å; I68-R70 PolarHBondContact O-N 3.46Å; R70-A74 WeakPolarHBondContact O-CB 3.36Å; R70-A74 PolarHBondContact O-N 3.42Å |
| 71 | I | 96.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 5% | 0.046 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.9 | -45.1 | 178.7 | -63.6 | 162 | 0 | 0 | 0 | 110.1 | L31 E32 I35 K67 I68 L69 A74 V75 | L31-I71 HydrophobicContact CB-CD1 4.35Å; E32-I71 HydrophobicContact CB-CD1 3.94Å; E32-I71 HydrophobicContact CB-CG1 4.47Å; E32-I71 HydrophobicContact CG-CG2 4.47Å; I35-I71 HydrophobicContact CB-CG2 3.99Å; I35-I71 HydrophobicContact CD1-CB 4.04Å; I35-I71 HydrophobicContact CD1-CD1 4.37Å; I35-I71 HydrophobicContact CD1-CG2 3.61Å; I35-I71 HydrophobicContact CG1-CG2 4.4Å; I35-I71 HydrophobicContact CG2-CG2 3.87Å; K67-I71 HydrophobicContact CD-CD1 4.29Å; K67-I71 HydrophobicContact CG-CD1 3.84Å; K67-I71 HydrophobicContact CG-CG1 4.44Å; K67-I71 VanDerWaalsContact O-CG1 3.29Å; K67-I71 WeakPolarHBondContact O-CG1 3.49Å; K67-I71 PolarHBondContact O-N 3.36Å; I68-I71 PolarHBondContact O-N 2.93Å; L69-I71 PolarHBondContact O-N 3.14Å; I71-A74 WeakPolarHBondContact O-CB 3.49Å; I71-A74 PolarHBondContact O-N 2.64Å; I71-A74 VanDerWaalsContact O-N 3.1Å; I71-V75 PolarHBondContact O-N 3.18Å |
| 72 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 179.2 | -69.7 | 172.4 | 0 | 0 | 0 | 112.2 | I35 I68 L69 A74 V75 A76 L89 V90 L93 F100 F104 | I35-L72 HydrophobicContact CD1-CD2 4.4Å; I35-L72 HydrophobicContact CG2-CD2 4.08Å; I68-L72 HydrophobicContact CG2-CD1 3.83Å; I68-L72 HydrophobicContact CG2-CG 4.37Å; I68-L72 WeakPolarHBondContact O-CB 3.12Å; I68-L72 WeakPolarHBondContact O-CG 3.49Å; I68-L72 PolarHBondContact O-N 3.22Å; L69-L72 PolarHBondContact O-N 3.04Å; L72-A74 VanDerWaalsContact C-N 3.28Å; L72-A74 PolarHBondContact O-N 2.78Å; L72-V75 VanDerWaalsContact O-CG2 3.28Å; L72-V75 WeakPolarHBondContact O-CG2 3.34Å; L72-V75 PolarHBondContact O-N 3.25Å; L72-A76 WeakPolarHBondContact O-CB 3.49Å; L72-A76 PolarHBondContact O-N 2.93Å; L72-L89 HydrophobicContact CD2-CD2 4.03Å; L72-V90 HydrophobicContact CD1-CG2 4.35Å; L72-L93 HydrophobicContact CD1-CD1 4.03Å; L72-F100 HydrophobicContact CD1-CE1 4.33Å; L72-F100 HydrophobicContact CD1-CZ 3.8Å; L72-F104 HydrophobicContact CB-CD2 4.18Å; L72-F104 HydrophobicContact CB-CE2 3.52Å; L72-F104 HydrophobicContact CB-CZ 4.36Å |
| 73 | C | 96.8 | Very high | 95.3 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 5% | 0.054 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -36.1 | 171.9 | -70.2 | 0 | 0 | 0 | 0 | 112 | L69 R77 M108 | L69-C73 WeakPolarHBondContact O-CB 3.42Å; L69-C73 PolarHBondContact O-N 3.42Å; L69-C73 PolarHBondContact O-SG 3.02Å; L69-C73 VanDerWaalsContact O-SG 3.32Å; C73-R77 PolarHBondContact O-N 3.03Å; C73-M108 HydrophobicContact CB-SD 4.29Å |
| 74 | A | 96.4 | Very high | 95.5 | Very high | 32 Ų | 32 | 39.3 Ų | 39.3 | 26% | 0.264 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.3 | -46.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R70 I71 L72 A76 R77 L78 | R70-A74 WeakPolarHBondContact O-CB 3.36Å; R70-A74 PolarHBondContact O-N 3.42Å; I71-A74 WeakPolarHBondContact O-CB 3.49Å; I71-A74 PolarHBondContact O-N 2.64Å; I71-A74 VanDerWaalsContact O-N 3.1Å; L72-A74 VanDerWaalsContact C-N 3.28Å; L72-A74 PolarHBondContact O-N 2.78Å; A74-A76 VanDerWaalsContact C-N 3.33Å; A74-A76 PolarHBondContact O-N 3.28Å; A74-R77 PolarHBondContact O-N 3.39Å; A74-R77 VanDerWaalsContact O-N 3.13Å; A74-L78 VanDerWaalsContact O-CB 3.28Å; A74-L78 WeakPolarHBondContact O-CB 3.38Å; A74-L78 VanDerWaalsContact O-CG 3.3Å; A74-L78 WeakPolarHBondContact O-CG 3.46Å; A74-L78 PolarHBondContact O-N 3.44Å |
| 75 | V | 96.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.7 | -31.7 | 178.3 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | I35 I71 L72 R77 L78 L79 Y86 | I35-V75 HydrophobicContact CG2-CG1 4.09Å; I35-V75 HydrophobicContact CG2-CG2 4.18Å; I71-V75 PolarHBondContact O-N 3.18Å; L72-V75 VanDerWaalsContact O-CG2 3.28Å; L72-V75 WeakPolarHBondContact O-CG2 3.34Å; L72-V75 PolarHBondContact O-N 3.25Å; V75-R77 PolarHBondContact O-N 3.03Å; V75-L78 PolarHBondContact O-N 3.49Å; V75-L79 HydrophobicContact CB-CD1 4.14Å; V75-L79 HydrophobicContact CG1-CD1 3.93Å; V75-L79 PolarHBondContact O-N 3.32Å; V75-Y86 HydrophobicContact CB-CD2 4.15Å; V75-Y86 HydrophobicContact CB-CE1 4.22Å; V75-Y86 HydrophobicContact CB-CE2 3.81Å; V75-Y86 HydrophobicContact CB-CG 4.49Å; V75-Y86 HydrophobicContact CG2-CD1 3.75Å; V75-Y86 HydrophobicContact CG2-CD2 3.99Å; V75-Y86 HydrophobicContact CG2-CE1 3.84Å; V75-Y86 HydrophobicContact CG2-CE2 4.06Å; V75-Y86 HydrophobicContact CG2-CG 3.85Å |
| 76 | A | 96.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.2 | -30.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L72 A74 M108 L127 F130 | L72-A76 WeakPolarHBondContact O-CB 3.49Å; L72-A76 PolarHBondContact O-N 2.93Å; A74-A76 VanDerWaalsContact C-N 3.33Å; A74-A76 PolarHBondContact O-N 3.28Å; A76-M108 HydrophobicContact CB-CE 3.81Å; A76-M108 HydrophobicContact CB-SD 3.97Å; A76-L127 HydrophobicContact CB-CD2 4.3Å; A76-F130 HydrophobicContact CB-CB 4.33Å; A76-F130 HydrophobicContact CB-CD1 4.25Å; A76-F130 HydrophobicContact CB-CD2 3.31Å; A76-F130 HydrophobicContact CB-CE1 4.41Å; A76-F130 HydrophobicContact CB-CE2 3.5Å; A76-F130 VanDerWaalsContact CB-CE2 3.5Å; A76-F130 HydrophobicContact CB-CG 3.72Å; A76-F130 HydrophobicContact CB-CZ 4.07Å |
| 77 | R | 94.9 | Very high | 96 | Very high | 54 Ų | 54 | 28.9 Ų | 28.9 | 20% | 0.204 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -91.4 | -33 | -179.9 | -168.2 | 173.5 | 58.9 | 78.6 | 6.1 | 113.5 | C73 A74 V75 E123 Y126 L127 | C73-R77 PolarHBondContact O-N 3.03Å; A74-R77 PolarHBondContact O-N 3.39Å; A74-R77 VanDerWaalsContact O-N 3.13Å; V75-R77 PolarHBondContact O-N 3.03Å; R77-E123 VanDerWaalsContact CD-OE2 3.23Å; R77-E123 WeakPolarHBondContact CD-OE2 3.5Å; R77-E123 HydrophobicContact CG-CB 3.67Å; R77-E123 HydrophobicContact CG-CG 4.07Å; R77-E123 IonicContact CZ-OE2 3.92Å; R77-E123 IonicContact NE-OE2 3.7Å; R77-E123 IonicContact NH1-OE1 3.31Å; R77-E123 PolarHBondContact NH1-OE1 3.33Å; R77-E123 IonicContact NH1-OE2 2.79Å; R77-E123 PolarHBondContact NH1-OE2 3.02Å; R77-Y126 VanDerWaalsContact O-CD2 3.3Å; R77-Y126 WeakPolarHBondContact O-CD2 3.4Å; R77-L127 HydrophobicContact CB-CD2 4.03Å |
| 78 | L | 94 | Very high | 96.2 | Very high | 84 Ų | 84 | 26.6 Ų | 26.6 | 44% | 0.44 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -106.8 | -19.7 | -167.5 | -64.1 | 177.5 | 0 | 0 | 0 | 114.3 | A74 V75 P80 | A74-L78 VanDerWaalsContact O-CB 3.28Å; A74-L78 WeakPolarHBondContact O-CB 3.38Å; A74-L78 VanDerWaalsContact O-CG 3.3Å; A74-L78 WeakPolarHBondContact O-CG 3.46Å; A74-L78 PolarHBondContact O-N 3.44Å; V75-L78 PolarHBondContact O-N 3.49Å; L78-P80 WeakPolarHBondContact O-CD 3.24Å |
| 79 | L | 93.9 | Very high | 96.3 | Very high | 34 Ų | 34 | 26.6 Ų | 26.6 | 18% | 0.178 | 13% | 0.127 | C | C | . | . | trans | -126.4 | 56.2 | -176.4 | -59.2 | 176.6 | 0 | 0 | 0 | 111.9 | V75 E81 K82 Y86 | V75-L79 HydrophobicContact CB-CD1 4.14Å; V75-L79 HydrophobicContact CG1-CD1 3.93Å; V75-L79 PolarHBondContact O-N 3.32Å; L79-E81 VanDerWaalsContact C-OE2 3.24Å; L79-E81 WeakPolarHBondContact CA-OE2 3.11Å; L79-E81 WeakPolarHBondContact CD2-OE1 3.2Å; L79-E81 PolarHBondContact O-N 2.61Å; L79-K82 PolarHBondContact O-N 2.89Å; L79-Y86 HydrophobicContact CB-CE2 3.9Å; L79-Y86 HydrophobicContact CD1-CE2 4.05Å; L79-Y86 WeakPolarHBondContact CD1-OH 3.48Å | ||
| 80 | P | 93.7 | Very high | 96.4 | Very high | 12 Ų | 12 | 25.9 Ų | 25.9 | 8% | 0.078 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -62.6 | -23.4 | -178.1 | 29.7 | -38.3 | 0 | 0 | 0 | 113.6 | L78 K82 L83 Y126 N320 | L78-P80 WeakPolarHBondContact O-CD 3.24Å; P80-K82 PolarHBondContact O-N 3.49Å; P80-L83 WeakPolarHBondContact O-CB 3.45Å; P80-L83 PolarHBondContact O-N 3.25Å; P80-L83 VanDerWaalsContact O-N 3.09Å; P80-Y126 HydrophobicContact CB-CD1 3.52Å; P80-Y126 HydrophobicContact CB-CD2 4.2Å; P80-Y126 HydrophobicContact CB-CE1 3.87Å; P80-Y126 HydrophobicContact CB-CG 3.7Å; P80-Y126 HydrophobicContact CG-CD1 3.85Å; P80-Y126 HydrophobicContact CG-CD2 3.96Å; P80-Y126 HydrophobicContact CG-CE1 3.74Å; P80-Y126 HydrophobicContact CG-CE2 3.86Å; P80-Y126 HydrophobicContact CG-CG 3.95Å; P80-N320 HydrophobicContact CG-CB 3.9Å |
| 81 | E | 91 | Very high | 96.5 | Very high | 38 Ų | 38 | 16.8 Ų | 16.8 | 18% | 0.178 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -64.9 | -16.5 | 174.4 | 71 | -78.1 | -171.6 | 0 | 0 | 113.2 | L79 N320 I321 S324 | L79-E81 VanDerWaalsContact C-OE2 3.24Å; L79-E81 WeakPolarHBondContact CA-OE2 3.11Å; L79-E81 WeakPolarHBondContact CD2-OE1 3.2Å; L79-E81 PolarHBondContact O-N 2.61Å; E81-N320 HydrophobicContact CB-CB 4.27Å; E81-I321 HydrophobicContact CB-CG1 4.02Å; E81-I321 HydrophobicContact CG-CG1 3.96Å; E81-S324 PolarHBondContact OE1-OG 3.09Å |
| 82 | K | 95 | Very high | 96.6 | Very high | 33 Ų | 33 | 16.4 Ų | 16.4 | 14% | 0.143 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -110.6 | 18.3 | 175.2 | -68.3 | 173.1 | 70.3 | -170.5 | 0 | 112.8 | C36 V38 L79 P80 T84 V85 Y86 | C36-K82 PolarHBondContact O-NZ 3.04Å; V38-K82 WeakPolarHBondContact O-CE 3.13Å; V38-K82 PolarHBondContact O-NZ 3.3Å; L79-K82 PolarHBondContact O-N 2.89Å; P80-K82 PolarHBondContact O-N 3.49Å; K82-T84 PolarHBondContact O-N 3.48Å; K82-V85 WeakPolarHBondContact O-CB 3.38Å; K82-V85 PolarHBondContact O-N 3.34Å; K82-Y86 HydrophobicContact CB-CD2 3.87Å; K82-Y86 HydrophobicContact CB-CE2 3.52Å; K82-Y86 HydrophobicContact CD-CE2 4.26Å; K82-Y86 PolarHBondContact NZ-OH 3.18Å; K82-Y86 WeakPolarHBondContact O-CD2 3.46Å; K82-Y86 PolarHBondContact O-N 2.77Å |
| 83 | L | 97.1 | Very high | 96.7 | Very high | 9 Ų | 9 | 16.4 Ų | 16.4 | 5% | 0.047 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -40.9 | -58.6 | -176.2 | -179.2 | 63.6 | 0 | 0 | 0 | 113.6 | P80 V85 Y86 T87 R129 F130 W179 | P80-L83 WeakPolarHBondContact O-CB 3.45Å; P80-L83 PolarHBondContact O-N 3.25Å; P80-L83 VanDerWaalsContact O-N 3.09Å; L83-V85 VanDerWaalsContact C-N 3.26Å; L83-V85 PolarHBondContact O-N 2.91Å; L83-Y86 PolarHBondContact O-N 3.1Å; L83-Y86 VanDerWaalsContact O-N 3.12Å; L83-T87 HydrophobicContact CD1-CG2 4.27Å; L83-T87 PolarHBondContact O-N 3.02Å; L83-T87 PolarHBondContact O-OG1 2.93Å; L83-R129 HydrophobicContact CD2-CB 4.06Å; L83-F130 HydrophobicContact CD1-CB 3.79Å; L83-F130 HydrophobicContact CD1-CD2 3.53Å; L83-F130 HydrophobicContact CD1-CE2 4.45Å; L83-F130 HydrophobicContact CD1-CG 3.97Å; L83-W179 HydrophobicContact CD2-CD2 4.35Å; L83-W179 HydrophobicContact CD2-CG 4.27Å |
| 84 | T | 98.1 | Very high | 96.7 | Very high | 15 Ų | 15 | 16.2 Ų | 16.2 | 9% | 0.092 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -71.8 | -20.1 | -171.8 | 60.8 | 0 | 0 | 0 | 0 | 113.5 | K82 T87 T88 I249 L250 Y253 | K82-T84 PolarHBondContact O-N 3.48Å; T84-T87 VanDerWaalsContact CA-OG1 3.28Å; T84-T87 WeakPolarHBondContact CA-OG1 3.48Å; T84-T87 PolarHBondContact O-OG1 3.32Å; T84-T88 WeakPolarHBondContact O-CB 3.26Å; T84-T88 PolarHBondContact O-N 3.41Å; T84-T88 PolarHBondContact O-OG1 3.38Å; T84-I249 HydrophobicContact CG2-CG2 4Å; T84-L250 WeakPolarHBondContact CB-O 3.49Å; T84-L250 WeakPolarHBondContact CG2-O 3.24Å; T84-L250 PolarHBondContact OG1-O 2.78Å; T84-Y253 HydrophobicContact CG2-CE1 4.47Å |
| 85 | V | 98.1 | Very high | 96.8 | Very high | 14 Ų | 14 | 16.5 Ų | 16.5 | 9% | 0.085 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69.7 | -46.2 | 171.6 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | V38 L46 L50 K82 L83 L89 | V38-V85 HydrophobicContact CG1-CG1 4.06Å; V38-V85 HydrophobicContact CG2-CG1 4.37Å; L46-V85 HydrophobicContact CD1-CG1 4.25Å; L46-V85 HydrophobicContact CD2-CG2 4.33Å; L50-V85 HydrophobicContact CD2-CG1 3.96Å; L50-V85 WeakPolarHBondContact CD2-O 3.25Å; K82-V85 WeakPolarHBondContact O-CB 3.38Å; K82-V85 PolarHBondContact O-N 3.34Å; L83-V85 VanDerWaalsContact C-N 3.26Å; L83-V85 PolarHBondContact O-N 2.91Å; V85-L89 PolarHBondContact O-N 3.46Å; V85-L89 VanDerWaalsContact O-N 3.09Å |
| 86 | Y | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -75.4 | -36.6 | -176.8 | -68.6 | -53.5 | 0 | 0 | 0 | 113.3 | I35 V38 V75 L79 K82 L83 T88 L89 V90 | I35-Y86 HydrophobicContact CG2-CD1 4.49Å; I35-Y86 HydrophobicContact CG2-CE1 3.9Å; I35-Y86 VanDerWaalsContact O-CE1 3.24Å; I35-Y86 WeakPolarHBondContact O-CE1 3.29Å; I35-Y86 PolarHBondContact O-OH 3.12Å; V38-Y86 HydrophobicContact CG1-CD1 4.45Å; V38-Y86 HydrophobicContact CG1-CE1 3.85Å; V75-Y86 HydrophobicContact CB-CD2 4.15Å; V75-Y86 HydrophobicContact CB-CE1 4.22Å; V75-Y86 HydrophobicContact CB-CE2 3.81Å; V75-Y86 HydrophobicContact CB-CG 4.49Å; V75-Y86 HydrophobicContact CG2-CD1 3.75Å; V75-Y86 HydrophobicContact CG2-CD2 3.99Å; V75-Y86 HydrophobicContact CG2-CE1 3.84Å; V75-Y86 HydrophobicContact CG2-CE2 4.06Å; V75-Y86 HydrophobicContact CG2-CG 3.85Å; L79-Y86 HydrophobicContact CB-CE2 3.9Å; L79-Y86 HydrophobicContact CD1-CE2 4.05Å; L79-Y86 WeakPolarHBondContact CD1-OH 3.48Å; K82-Y86 HydrophobicContact CB-CD2 3.87Å; K82-Y86 HydrophobicContact CB-CE2 3.52Å; K82-Y86 HydrophobicContact CD-CE2 4.26Å; K82-Y86 PolarHBondContact NZ-OH 3.18Å; K82-Y86 WeakPolarHBondContact O-CD2 3.46Å; K82-Y86 PolarHBondContact O-N 2.77Å; L83-Y86 PolarHBondContact O-N 3.1Å; L83-Y86 VanDerWaalsContact O-N 3.12Å; Y86-T88 VanDerWaalsContact C-N 3.33Å; Y86-L89 PolarHBondContact O-N 3.35Å; Y86-V90 WeakPolarHBondContact O-CG2 3.39Å; Y86-V90 PolarHBondContact O-N 3.4Å |
| 87 | T | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 173 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | L83 T84 L89 V90 G91 F130 D133 L134 C137 | L83-T87 HydrophobicContact CD1-CG2 4.27Å; L83-T87 PolarHBondContact O-N 3.02Å; L83-T87 PolarHBondContact O-OG1 2.93Å; T84-T87 VanDerWaalsContact CA-OG1 3.28Å; T84-T87 WeakPolarHBondContact CA-OG1 3.48Å; T84-T87 PolarHBondContact O-OG1 3.32Å; T87-L89 PolarHBondContact O-N 3.34Å; T87-V90 PolarHBondContact O-N 2.88Å; T87-G91 PolarHBondContact O-N 3.46Å; T87-F130 HydrophobicContact CG2-CD1 3.89Å; T87-F130 HydrophobicContact CG2-CD2 4.01Å; T87-F130 HydrophobicContact CG2-CE1 3.84Å; T87-F130 HydrophobicContact CG2-CE2 3.98Å; T87-F130 HydrophobicContact CG2-CG 3.97Å; T87-F130 HydrophobicContact CG2-CZ 3.88Å; T87-D133 WeakPolarHBondContact CB-OD2 3.36Å; T87-D133 HydrophobicContact CG2-CB 4.06Å; T87-D133 PolarHBondContact OG1-OD2 3.24Å; T87-L134 HydrophobicContact CG2-CD2 4.11Å; T87-L134 HydrophobicContact CG2-CG 4.1Å; T87-C137 VanDerWaalsContact C-SG 3.54Å |
| 88 | T | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 173 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | L50 T84 Y86 V90 G91 L92 P252 Y253 F256 | L50-T88 HydrophobicContact CD1-CG2 3.92Å; T84-T88 WeakPolarHBondContact O-CB 3.26Å; T84-T88 PolarHBondContact O-N 3.41Å; T84-T88 PolarHBondContact O-OG1 3.38Å; Y86-T88 VanDerWaalsContact C-N 3.33Å; T88-V90 VanDerWaalsContact C-N 3.33Å; T88-V90 PolarHBondContact O-N 3.22Å; T88-G91 PolarHBondContact O-N 3.36Å; T88-G91 VanDerWaalsContact O-N 3.15Å; T88-L92 WeakPolarHBondContact O-CG 3.36Å; T88-L92 PolarHBondContact O-N 3.34Å; T88-P252 HydrophobicContact CG2-CB 4.22Å; T88-Y253 WeakPolarHBondContact OG1-CD1 3.19Å; T88-Y253 PolarHBondContact OG1-N 3.07Å; T88-F256 HydrophobicContact CG2-CD2 3.87Å; T88-F256 HydrophobicContact CG2-CE2 4.05Å |
| 89 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59 | -44 | 177.1 | 179.8 | 61.9 | 0 | 0 | 0 | 111.9 | L50 L53 A54 L57 L72 V85 Y86 T87 G91 L92 L93 | L50-L89 HydrophobicContact CD2-CB 3.89Å; L50-L89 HydrophobicContact CD2-CD1 4.44Å; L53-L89 HydrophobicContact CB-CD1 4.21Å; L53-L89 HydrophobicContact CD2-CD1 4.15Å; L53-L89 HydrophobicContact CD2-CD2 3.7Å; L53-L89 HydrophobicContact CG-CD1 4.01Å; L53-L89 HydrophobicContact CG-CD2 4.28Å; A54-L89 HydrophobicContact CB-CD1 4.12Å; L57-L89 HydrophobicContact CD1-CD1 4.32Å; L57-L89 HydrophobicContact CD1-CD2 4.07Å; L57-L89 HydrophobicContact CD1-CG 4.43Å; L72-L89 HydrophobicContact CD2-CD2 4.03Å; V85-L89 PolarHBondContact O-N 3.46Å; V85-L89 VanDerWaalsContact O-N 3.09Å; Y86-L89 PolarHBondContact O-N 3.35Å; T87-L89 PolarHBondContact O-N 3.34Å; L89-G91 VanDerWaalsContact C-N 3.34Å; L89-L92 PolarHBondContact O-N 3.44Å; L89-L93 HydrophobicContact CG-CD1 4.41Å; L89-L93 WeakPolarHBondContact O-CG 3.39Å; L89-L93 PolarHBondContact O-N 2.92Å |
| 90 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.5 | -38.1 | 176 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | L72 Y86 T87 T88 L93 N94 F104 F130 L134 V139 | L72-V90 HydrophobicContact CD1-CG2 4.35Å; Y86-V90 WeakPolarHBondContact O-CG2 3.39Å; Y86-V90 PolarHBondContact O-N 3.4Å; T87-V90 PolarHBondContact O-N 2.88Å; T88-V90 VanDerWaalsContact C-N 3.33Å; T88-V90 PolarHBondContact O-N 3.22Å; V90-L93 PolarHBondContact O-N 3.28Å; V90-N94 WeakPolarHBondContact O-CB 3.44Å; V90-N94 PolarHBondContact O-N 3.45Å; V90-F104 HydrophobicContact CB-CE1 4.47Å; V90-F104 HydrophobicContact CG1-CD1 3.62Å; V90-F104 HydrophobicContact CG1-CE1 3.76Å; V90-F104 HydrophobicContact CG1-CG 4.33Å; V90-F104 HydrophobicContact CG2-CD1 4.4Å; V90-F104 HydrophobicContact CG2-CE1 3.95Å; V90-F104 HydrophobicContact CG2-CE2 4.4Å; V90-F104 HydrophobicContact CG2-CZ 3.94Å; V90-F130 HydrophobicContact CG2-CE1 4.22Å; V90-F130 HydrophobicContact CG2-CZ 4.08Å; V90-L134 HydrophobicContact CB-CD2 3.89Å; V90-L134 HydrophobicContact CG1-CD2 3.69Å; V90-V139 HydrophobicContact CG1-CG2 4.48Å |
| 91 | G | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.8 | -48.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T87 T88 L89 L93 N94 A95 L260 | T87-G91 PolarHBondContact O-N 3.46Å; T88-G91 PolarHBondContact O-N 3.36Å; T88-G91 VanDerWaalsContact O-N 3.15Å; L89-G91 VanDerWaalsContact C-N 3.34Å; G91-L93 VanDerWaalsContact C-N 3.34Å; G91-L93 PolarHBondContact O-N 2.67Å; G91-N94 PolarHBondContact O-N 3.13Å; G91-A95 PolarHBondContact O-N 3.26Å; G91-L260 VanDerWaalsContact C-CD2 3.44Å |
| 92 | L | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 176.9 | -64.5 | 174.5 | 0 | 0 | 0 | 112.2 | L50 A54 T88 L89 A95 R96 F256 V259 L260 | L50-L92 HydrophobicContact CB-CD1 4.13Å; A54-L92 HydrophobicContact CB-CB 3.81Å; A54-L92 HydrophobicContact CB-CD1 4.35Å; T88-L92 WeakPolarHBondContact O-CG 3.36Å; T88-L92 PolarHBondContact O-N 3.34Å; L89-L92 PolarHBondContact O-N 3.44Å; L92-A95 PolarHBondContact O-N 2.88Å; L92-R96 WeakPolarHBondContact O-CD 3.34Å; L92-R96 WeakPolarHBondContact O-CG 3.33Å; L92-R96 PolarHBondContact O-N 3.2Å; L92-F256 HydrophobicContact CD1-CD1 4.32Å; L92-F256 HydrophobicContact CD1-CE1 4.05Å; L92-F256 HydrophobicContact CD1-CE2 4.48Å; L92-F256 HydrophobicContact CD1-CZ 4.12Å; L92-F256 HydrophobicContact CD2-CB 4.12Å; L92-F256 HydrophobicContact CD2-CD1 3.67Å; L92-F256 HydrophobicContact CD2-CE1 4.17Å; L92-F256 HydrophobicContact CD2-CG 3.93Å; L92-V259 HydrophobicContact CD2-CG1 4.26Å; L92-L260 HydrophobicContact CD2-CD2 4.27Å |
| 93 | L | 98 | Very high | 98 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 175.2 | -73.8 | 170.9 | 0 | 0 | 0 | 112.7 | A54 L57 L72 L89 V90 G91 R96 N97 F100 | A54-L93 HydrophobicContact CB-CD2 4.45Å; A54-L93 WeakPolarHBondContact O-CD2 3.44Å; L57-L93 HydrophobicContact CB-CD1 4.39Å; L57-L93 HydrophobicContact CB-CD2 3.91Å; L57-L93 HydrophobicContact CD1-CD1 3.93Å; L72-L93 HydrophobicContact CD1-CD1 4.03Å; L89-L93 HydrophobicContact CG-CD1 4.41Å; L89-L93 WeakPolarHBondContact O-CG 3.39Å; L89-L93 PolarHBondContact O-N 2.92Å; V90-L93 PolarHBondContact O-N 3.28Å; G91-L93 VanDerWaalsContact C-N 3.34Å; G91-L93 PolarHBondContact O-N 2.67Å; L93-R96 PolarHBondContact O-N 3.12Å; L93-N97 PolarHBondContact O-N 3.32Å; L93-F100 HydrophobicContact CB-CD1 3.9Å; L93-F100 HydrophobicContact CB-CE1 3.76Å; L93-F100 HydrophobicContact CD1-CE1 3.73Å; L93-F100 HydrophobicContact CD1-CZ 4.15Å; L93-F100 HydrophobicContact CG-CE1 4.31Å |
| 94 | N | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 175 | 179.3 | 59.4 | 0 | 0 | 0 | 111.7 | V90 G91 R96 N97 Y98 V139 L264 H266 | V90-N94 WeakPolarHBondContact O-CB 3.44Å; V90-N94 PolarHBondContact O-N 3.45Å; G91-N94 PolarHBondContact O-N 3.13Å; N94-R96 PolarHBondContact O-N 3.17Å; N94-N97 CarbonylContact O-C 3.51Å; N94-N97 PolarHBondContact O-N 3.42Å; N94-Y98 PolarHBondContact O-N 3.09Å; N94-V139 HydrophobicContact CB-CG1 4.36Å; N94-V139 HydrophobicContact CB-CG2 3.97Å; N94-L264 PolarHBondContact ND2-O 3.31Å; N94-H266 PolarHBondContact OD1-CD2 3Å; N94-H266 PolarHBondContact OD1-NE2 2.89Å |
| 95 | A | 97.4 | Very high | 98 | Very high | 39 Ų | 39 | 24 Ų | 24 | 32% | 0.322 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -60.3 | -35.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G91 L92 V259 A263 | G91-A95 PolarHBondContact O-N 3.26Å; L92-A95 PolarHBondContact O-N 2.88Å; A95-V259 HydrophobicContact CB-CG1 3.89Å; A95-A263 HydrophobicContact CB-CB 3.92Å |
| 96 | R | 96.8 | Very high | 98 | Very high | 96 Ų | 96 | 28 Ų | 28 | 36% | 0.362 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -78.4 | -38.6 | 176.2 | -69.8 | 163 | 175.9 | -84.1 | -3.3 | 112.8 | E51 E58 L92 L93 N94 | E51-R96 IonicContact OE1-CZ 2.73Å; E51-R96 IonicContact OE1-NH2 3.7Å; E51-R96 PolarHBondContact OE1-NH2 3.14Å; E58-R96 HydrophobicContact CG-CB 4.46Å; E58-R96 VanDerWaalsContact OE2-CD 3.3Å; E58-R96 WeakPolarHBondContact OE2-CD 3.27Å; E58-R96 IonicContact OE2-CZ 2.99Å; E58-R96 IonicContact OE2-NE 3.48Å; E58-R96 IonicContact OE2-NH1 3.73Å; E58-R96 PolarHBondContact OE2-NH1 3.13Å; L92-R96 WeakPolarHBondContact O-CD 3.34Å; L92-R96 WeakPolarHBondContact O-CG 3.33Å; L92-R96 PolarHBondContact O-N 3.2Å; L93-R96 PolarHBondContact O-N 3.12Å; N94-R96 PolarHBondContact O-N 3.17Å |
| 97 | N | 97.5 | Very high | 98 | Very high | 55 Ų | 55 | 28.8 Ų | 28.8 | 29% | 0.294 | 15% | 0.146 | S | C | . | . | trans | -144.1 | 96.5 | -177.2 | -170.5 | -34.2 | 0 | 0 | 0 | 111.5 | L61 L93 N94 N99 F100 G101 | L61-N97 HydrophobicContact CD1-CB 4.26Å; L93-N97 PolarHBondContact O-N 3.32Å; N94-N97 CarbonylContact O-C 3.51Å; N94-N97 PolarHBondContact O-N 3.42Å; N97-N99 VanDerWaalsContact C-N 3.32Å; N97-N99 PolarHBondContact O-N 3.43Å; N97-N99 PolarHBondContact OD1-N 3.45Å; N97-F100 HydrophobicContact CB-CB 4Å; N97-F100 WeakPolarHBondContact O-CB 3.22Å; N97-F100 PolarHBondContact O-N 2.91Å; N97-F100 PolarHBondContact OD1-N 3.24Å; N97-G101 PolarHBondContact O-N 3.42Å | ||
| 98 | Y | 97.6 | Very high | 97.9 | Very high | 99 Ų | 99 | 28.8 Ų | 28.8 | 39% | 0.388 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.8 | -40.6 | -180 | 178.1 | -100.8 | 0 | 0 | 0 | 113.2 | N94 F100 G101 G102 L264 H266 | N94-Y98 PolarHBondContact O-N 3.09Å; Y98-F100 VanDerWaalsContact C-N 3.31Å; Y98-F100 PolarHBondContact O-N 2.91Å; Y98-G101 PolarHBondContact O-N 3.25Å; Y98-G101 VanDerWaalsContact O-N 3.15Å; Y98-G102 PolarHBondContact O-N 3.47Å; Y98-L264 HydrophobicContact CD2-CB 3.49Å; Y98-L264 VanDerWaalsContact CD2-CB 3.49Å; Y98-L264 HydrophobicContact CD2-CD1 4.38Å; Y98-L264 HydrophobicContact CE2-CB 3.4Å; Y98-L264 VanDerWaalsContact CE2-CB 3.4Å; Y98-L264 HydrophobicContact CE2-CD1 4.47Å; Y98-L264 HydrophobicContact CG-CB 4.48Å; Y98-H266 AromaticContact CD1-CE1 3.86Å; Y98-H266 AromaticContact CD2-CE1 3.42Å; Y98-H266 VanDerWaalsContact CD2-CE1 3.42Å; Y98-H266 WeakPolarHBondContact CD2-CE1 3.46Å; Y98-H266 AromaticContact CD2-NE2 3.33Å; Y98-H266 VanDerWaalsContact CD2-NE2 3.33Å; Y98-H266 WeakPolarHBondContact CD2-NE2 3.48Å; Y98-H266 AromaticContact CE1-CE1 3.56Å; Y98-H266 AromaticContact CE2-CD2 3.92Å; Y98-H266 AromaticContact CE2-CE1 3.12Å; Y98-H266 WeakPolarHBondContact CE2-CE1 3.38Å; Y98-H266 AromaticContact CE2-ND1 3.69Å; Y98-H266 AromaticContact CE2-NE2 3.28Å; Y98-H266 VanDerWaalsContact CE2-NE2 3.28Å; Y98-H266 WeakPolarHBondContact CE2-NE2 3.28Å; Y98-H266 AromaticContact CG-CE1 3.81Å; Y98-H266 AromaticContact CG-NE2 4Å; Y98-H266 AromaticContact CZ-CE1 3.19Å; Y98-H266 AromaticContact CZ-ND1 3.52Å; Y98-H266 AromaticContact CZ-NE2 3.87Å; Y98-H266 PolarHBondContact O-CE1 3.27Å; Y98-H266 PolarHBondContact O-NE2 3.45Å; Y98-H266 VanDerWaalsContact O-NE2 3.17Å |
| 99 | N | 97.2 | Very high | 97.9 | Very high | 116 Ų | 116 | 29 Ų | 29 | 62% | 0.62 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -63.7 | -39.4 | -179.4 | -67.7 | -25.9 | 0 | 0 | 0 | 111.5 | N97 G101 G102 E103 | N97-N99 VanDerWaalsContact C-N 3.32Å; N97-N99 PolarHBondContact O-N 3.43Å; N97-N99 PolarHBondContact OD1-N 3.45Å; N99-G101 VanDerWaalsContact C-N 3.34Å; N99-G102 PolarHBondContact O-N 3.33Å; N99-E103 WeakPolarHBondContact O-CG 3.32Å; N99-E103 PolarHBondContact O-N 2.94Å |
| 100 | F | 97.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 173.9 | 173.4 | -94.5 | 0 | 0 | 0 | 111.7 | L61 K65 I68 L69 L72 L93 N97 Y98 G102 E103 F104 | L61-F100 HydrophobicContact CD1-CB 4.24Å; L61-F100 HydrophobicContact CD1-CD2 4.24Å; L61-F100 HydrophobicContact CD1-CG 4.22Å; L61-F100 HydrophobicContact CD2-CD2 3.46Å; L61-F100 VanDerWaalsContact CD2-CD2 3.46Å; L61-F100 HydrophobicContact CD2-CE2 3.55Å; L61-F100 HydrophobicContact CD2-CG 4.21Å; L61-F100 HydrophobicContact CD2-CZ 4.37Å; K65-F100 HydrophobicContact CD-CD2 4.48Å; K65-F100 HydrophobicContact CG-CD2 4.15Å; K65-F100 HydrophobicContact CG-CE2 4.47Å; I68-F100 HydrophobicContact CG2-CE2 4.18Å; I68-F100 HydrophobicContact CG2-CZ 4.04Å; L69-F100 HydrophobicContact CD2-CD2 4.1Å; L69-F100 HydrophobicContact CD2-CE2 3.5Å; L69-F100 HydrophobicContact CD2-CZ 3.88Å; L69-F100 HydrophobicContact CG-CD2 4.47Å; L69-F100 HydrophobicContact CG-CE2 3.84Å; L72-F100 HydrophobicContact CD1-CE1 4.33Å; L72-F100 HydrophobicContact CD1-CZ 3.8Å; L93-F100 HydrophobicContact CB-CD1 3.9Å; L93-F100 HydrophobicContact CB-CE1 3.76Å; L93-F100 HydrophobicContact CD1-CE1 3.73Å; L93-F100 HydrophobicContact CD1-CZ 4.15Å; L93-F100 HydrophobicContact CG-CE1 4.31Å; N97-F100 HydrophobicContact CB-CB 4Å; N97-F100 WeakPolarHBondContact O-CB 3.22Å; N97-F100 PolarHBondContact O-N 2.91Å; N97-F100 PolarHBondContact OD1-N 3.24Å; Y98-F100 VanDerWaalsContact C-N 3.31Å; Y98-F100 PolarHBondContact O-N 2.91Å; F100-G102 VanDerWaalsContact C-N 3.3Å; F100-G102 PolarHBondContact O-N 3.06Å; F100-E103 PolarHBondContact O-N 3.14Å; F100-F104 WeakPolarHBondContact O-CB 3.34Å; F100-F104 PolarHBondContact O-N 2.94Å |
| 101 | G | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N97 Y98 N99 F104 V105 | N97-G101 PolarHBondContact O-N 3.42Å; Y98-G101 PolarHBondContact O-N 3.25Å; Y98-G101 VanDerWaalsContact O-N 3.15Å; N99-G101 VanDerWaalsContact C-N 3.34Å; G101-F104 PolarHBondContact O-N 2.91Å; G101-V105 WeakPolarHBondContact O-CG2 3.29Å; G101-V105 PolarHBondContact O-N 2.74Å |
| 102 | G | 97.8 | Very high | 97.7 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 13% | 0.134 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.5 | -48.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y98 N99 F100 F104 V105 E106 H266 | Y98-G102 PolarHBondContact O-N 3.47Å; N99-G102 PolarHBondContact O-N 3.33Å; F100-G102 VanDerWaalsContact C-N 3.3Å; F100-G102 PolarHBondContact O-N 3.06Å; G102-F104 VanDerWaalsContact C-N 3.26Å; G102-F104 PolarHBondContact O-N 3.48Å; G102-V105 PolarHBondContact O-N 2.89Å; G102-E106 WeakPolarHBondContact O-CG 3.28Å; G102-E106 PolarHBondContact O-N 3.35Å; G102-H266 WeakPolarHBondContact CA-CE1 3.47Å; G102-H266 WeakPolarHBondContact CA-ND1 3.3Å; G102-H266 PolarHBondContact N-CE1 3.38Å; G102-H266 PolarHBondContact N-NE2 2.9Å |
| 103 | E | 97.9 | Very high | 97.6 | Very high | 61 Ų | 61 | 42 Ų | 42 | 29% | 0.285 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.8 | -35.6 | 176.6 | -72.1 | -179.8 | -142.2 | 0 | 0 | 112.4 | K65 L69 N99 F100 A107 | K65-E103 WeakPolarHBondContact CD-OE2 3.44Å; K65-E103 WeakPolarHBondContact CE-OE2 3.17Å; K65-E103 IonicContact NZ-OE1 2.7Å; K65-E103 PolarHBondContact NZ-OE1 3.01Å; K65-E103 IonicContact NZ-OE2 2.77Å; K65-E103 PolarHBondContact NZ-OE2 3.14Å; L69-E103 HydrophobicContact CD1-CB 4.25Å; N99-E103 WeakPolarHBondContact O-CG 3.32Å; N99-E103 PolarHBondContact O-N 2.94Å; F100-E103 PolarHBondContact O-N 3.14Å; E103-A107 VanDerWaalsContact O-CB 3.3Å; E103-A107 WeakPolarHBondContact O-CB 3.25Å; E103-A107 PolarHBondContact O-N 3.35Å |
| 104 | F | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.2 | -47.6 | 175 | 179.1 | -97 | 0 | 0 | 0 | 112 | L69 L72 V90 F100 G101 G102 E106 A107 M108 F130 L134 | L69-F104 HydrophobicContact CD2-CB 3.65Å; L69-F104 HydrophobicContact CD2-CD2 3.89Å; L69-F104 HydrophobicContact CD2-CG 4.29Å; L72-F104 HydrophobicContact CB-CD2 4.18Å; L72-F104 HydrophobicContact CB-CE2 3.52Å; L72-F104 HydrophobicContact CB-CZ 4.36Å; V90-F104 HydrophobicContact CB-CE1 4.47Å; V90-F104 HydrophobicContact CG1-CD1 3.62Å; V90-F104 HydrophobicContact CG1-CE1 3.76Å; V90-F104 HydrophobicContact CG1-CG 4.33Å; V90-F104 HydrophobicContact CG2-CD1 4.4Å; V90-F104 HydrophobicContact CG2-CE1 3.95Å; V90-F104 HydrophobicContact CG2-CE2 4.4Å; V90-F104 HydrophobicContact CG2-CZ 3.94Å; F100-F104 WeakPolarHBondContact O-CB 3.34Å; F100-F104 PolarHBondContact O-N 2.94Å; G101-F104 PolarHBondContact O-N 2.91Å; G102-F104 VanDerWaalsContact C-N 3.26Å; G102-F104 PolarHBondContact O-N 3.48Å; F104-E106 VanDerWaalsContact C-N 3.32Å; F104-E106 PolarHBondContact O-N 3.35Å; F104-A107 PolarHBondContact O-N 3.37Å; F104-A107 VanDerWaalsContact O-N 3.17Å; F104-M108 HydrophobicContact CD1-CG 4.12Å; F104-M108 HydrophobicContact CE1-CG 3.57Å; F104-M108 HydrophobicContact CE1-SD 4.3Å; F104-M108 HydrophobicContact CE2-CG 4.08Å; F104-M108 HydrophobicContact CE2-SD 4.28Å; F104-M108 HydrophobicContact CZ-CG 3.56Å; F104-M108 HydrophobicContact CZ-SD 3.76Å; F104-M108 WeakPolarHBondContact O-CG 3.42Å; F104-M108 PolarHBondContact O-N 2.89Å; F104-F130 HydrophobicContact CE1-CD1 4.36Å; F104-F130 AromaticContact CE1-CE1 3.71Å; F104-F130 HydrophobicContact CE1-CE1 3.71Å; F104-F130 HydrophobicContact CZ-CD1 4.43Å; F104-F130 AromaticContact CZ-CE1 3.7Å; F104-F130 HydrophobicContact CZ-CE1 3.7Å; F104-F130 HydrophobicContact CZ-CZ 4.2Å; F104-L134 HydrophobicContact CE1-CD1 4.01Å |
| 105 | V | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 176.8 | 170 | 0 | 0 | 0 | 0 | 111 | G101 G102 A107 M108 I109 V139 I140 L268 | G101-V105 WeakPolarHBondContact O-CG2 3.29Å; G101-V105 PolarHBondContact O-N 2.74Å; G102-V105 PolarHBondContact O-N 2.89Å; V105-A107 PolarHBondContact O-N 3.21Å; V105-M108 PolarHBondContact O-N 3.08Å; V105-I109 WeakPolarHBondContact O-CG1 3.2Å; V105-I109 PolarHBondContact O-N 3.34Å; V105-V139 HydrophobicContact CG2-CG1 4.08Å; V105-I140 HydrophobicContact CG2-CD1 4.2Å; V105-I140 HydrophobicContact CG2-CG1 3.97Å; V105-L268 HydrophobicContact CG1-CD2 3.44Å; V105-L268 VanDerWaalsContact CG1-CD2 3.44Å |
| 106 | E | 97.5 | Very high | 97.5 | Very high | 99 Ų | 99 | 45.8 Ų | 45.8 | 46% | 0.463 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 174 | -72.6 | -176.6 | -176.3 | 0 | 0 | 112.6 | G102 F104 M108 I109 R110 | G102-E106 WeakPolarHBondContact O-CG 3.28Å; G102-E106 PolarHBondContact O-N 3.35Å; F104-E106 VanDerWaalsContact C-N 3.32Å; F104-E106 PolarHBondContact O-N 3.35Å; E106-M108 VanDerWaalsContact C-N 3.32Å; E106-M108 PolarHBondContact O-N 3.35Å; E106-I109 PolarHBondContact O-N 3.27Å; E106-R110 WeakPolarHBondContact O-CG 3.35Å; E106-R110 PolarHBondContact O-N 3.38Å; E106-R110 IonicContact OE2-NH1 3.57Å |
| 107 | A | 97.5 | Very high | 97.4 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 13% | 0.132 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -39.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E103 F104 V105 R110 Q111 | E103-A107 VanDerWaalsContact O-CB 3.3Å; E103-A107 WeakPolarHBondContact O-CB 3.25Å; E103-A107 PolarHBondContact O-N 3.35Å; F104-A107 PolarHBondContact O-N 3.37Å; F104-A107 VanDerWaalsContact O-N 3.17Å; V105-A107 PolarHBondContact O-N 3.21Å; A107-R110 PolarHBondContact O-N 2.67Å; A107-Q111 VanDerWaalsContact O-CB 3.31Å; A107-Q111 WeakPolarHBondContact O-CB 3.26Å; A107-Q111 PolarHBondContact O-N 2.89Å |
| 108 | M | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 175.8 | -74.6 | -68.6 | -68.3 | 0 | 0 | 112.4 | C73 A76 F104 V105 E106 Q111 L112 L127 F130 L131 | C73-M108 HydrophobicContact CB-SD 4.29Å; A76-M108 HydrophobicContact CB-CE 3.81Å; A76-M108 HydrophobicContact CB-SD 3.97Å; F104-M108 HydrophobicContact CD1-CG 4.12Å; F104-M108 HydrophobicContact CE1-CG 3.57Å; F104-M108 HydrophobicContact CE1-SD 4.3Å; F104-M108 HydrophobicContact CE2-CG 4.08Å; F104-M108 HydrophobicContact CE2-SD 4.28Å; F104-M108 HydrophobicContact CZ-CG 3.56Å; F104-M108 HydrophobicContact CZ-SD 3.76Å; F104-M108 WeakPolarHBondContact O-CG 3.42Å; F104-M108 PolarHBondContact O-N 2.89Å; V105-M108 PolarHBondContact O-N 3.08Å; E106-M108 VanDerWaalsContact C-N 3.32Å; E106-M108 PolarHBondContact O-N 3.35Å; M108-Q111 PolarHBondContact O-N 2.76Å; M108-L112 WeakPolarHBondContact O-CB 3.47Å; M108-L112 PolarHBondContact O-N 3.18Å; M108-L127 HydrophobicContact CE-CB 4.21Å; M108-L127 HydrophobicContact CE-CD2 3.49Å; M108-L127 VanDerWaalsContact CE-CD2 3.49Å; M108-L127 HydrophobicContact CE-CG 4.47Å; M108-L127 HydrophobicContact SD-CD2 3.93Å; M108-F130 HydrophobicContact CE-CB 3.91Å; M108-F130 HydrophobicContact CE-CD1 3.84Å; M108-F130 HydrophobicContact CE-CG 3.99Å; M108-L131 HydrophobicContact CB-CD2 3.89Å; M108-L131 HydrophobicContact CE-CG 4.5Å |
| 109 | I | 97.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.7 | -39.8 | 176.5 | -67 | -66.7 | 0 | 0 | 0 | 111.7 | V105 E106 L112 K113 L131 M148 L268 F271 | V105-I109 WeakPolarHBondContact O-CG1 3.2Å; V105-I109 PolarHBondContact O-N 3.34Å; E106-I109 PolarHBondContact O-N 3.27Å; I109-L112 PolarHBondContact O-N 2.92Å; I109-K113 WeakPolarHBondContact O-CG 2.94Å; I109-K113 PolarHBondContact O-N 3.4Å; I109-K113 VanDerWaalsContact O-N 3.1Å; I109-L131 HydrophobicContact CD1-CD1 3.76Å; I109-M148 HydrophobicContact CD1-CE 4.4Å; I109-L268 HydrophobicContact CD1-CD2 4.12Å; I109-L268 HydrophobicContact CG1-CD2 4.21Å; I109-F271 HydrophobicContact CD1-CD2 4.49Å; I109-F271 HydrophobicContact CG2-CD2 4.32Å |
| 110 | R | 96.8 | Very high | 97.3 | Very high | 125 Ų | 125 | 45.5 Ų | 45.5 | 47% | 0.472 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.8 | -48.7 | 171.6 | -73.6 | -171.2 | -63.7 | -98.9 | -1 | 110.8 | E106 A107 L112 K113 E114 | E106-R110 WeakPolarHBondContact O-CG 3.35Å; E106-R110 PolarHBondContact O-N 3.38Å; E106-R110 IonicContact OE2-NH1 3.57Å; A107-R110 PolarHBondContact O-N 2.67Å; R110-L112 VanDerWaalsContact C-N 3.33Å; R110-L112 PolarHBondContact O-N 3.19Å; R110-K113 PolarHBondContact O-N 3.29Å; R110-E114 WeakPolarHBondContact O-CG 3.35Å; R110-E114 PolarHBondContact O-N 3.25Å |
| 111 | Q | 97.5 | Very high | 97.3 | Very high | 50 Ų | 50 | 46 Ų | 46 | 23% | 0.234 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 178.5 | -173.6 | 61.5 | 79.6 | 0 | 0 | 111.6 | A107 M108 K113 E114 T115 L127 | A107-Q111 VanDerWaalsContact O-CB 3.31Å; A107-Q111 WeakPolarHBondContact O-CB 3.26Å; A107-Q111 PolarHBondContact O-N 2.89Å; M108-Q111 PolarHBondContact O-N 2.76Å; Q111-K113 PolarHBondContact O-N 2.95Å; Q111-E114 PolarHBondContact O-N 3.12Å; Q111-T115 PolarHBondContact NE2-OG1 3.2Å; Q111-T115 VanDerWaalsContact O-CB 3.26Å; Q111-T115 WeakPolarHBondContact O-CB 3.39Å; Q111-T115 PolarHBondContact O-N 3.45Å; Q111-T115 PolarHBondContact O-OG1 2.93Å; Q111-L127 HydrophobicContact CB-CD1 4.39Å; Q111-L127 HydrophobicContact CG-CD1 3.83Å; Q111-L127 HydrophobicContact CG-CD2 4.31Å |
| 112 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -44.4 | 176.5 | 175.6 | 62.3 | 0 | 0 | 0 | 112 | M108 I109 R110 T115 L116 A124 L127 V128 M148 F271 | M108-L112 WeakPolarHBondContact O-CB 3.47Å; M108-L112 PolarHBondContact O-N 3.18Å; I109-L112 PolarHBondContact O-N 2.92Å; R110-L112 VanDerWaalsContact C-N 3.33Å; R110-L112 PolarHBondContact O-N 3.19Å; L112-T115 PolarHBondContact O-N 3.48Å; L112-L116 HydrophobicContact CD1-CD1 4.08Å; L112-L116 HydrophobicContact CD1-CG 4.21Å; L112-L116 HydrophobicContact CG-CD1 4.14Å; L112-L116 WeakPolarHBondContact O-CB 3.47Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.33Å; L112-L116 PolarHBondContact O-N 3.18Å; L112-A124 HydrophobicContact CD1-CB 3.66Å; L112-L127 HydrophobicContact CB-CD1 4.28Å; L112-L127 HydrophobicContact CD1-CB 4.35Å; L112-L127 HydrophobicContact CD1-CD1 4.48Å; L112-V128 HydrophobicContact CD1-CG2 3.94Å; L112-V128 HydrophobicContact CD2-CG2 3.9Å; L112-M148 HydrophobicContact CD2-CE 3.37Å; L112-F271 HydrophobicContact CD2-CD2 4.22Å; L112-F271 HydrophobicContact CD2-CE2 3.63Å; L112-F271 HydrophobicContact CD2-CZ 4Å; L112-F271 HydrophobicContact CG-CE2 3.97Å; L112-F271 HydrophobicContact CG-CZ 4.25Å |
| 113 | K | 96.4 | Very high | 97.1 | Very high | 98 Ų | 98 | 50.4 Ų | 50.4 | 43% | 0.426 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 177 | -71.5 | 177.9 | 178.2 | -178.9 | 0 | 111.8 | I109 R110 Q111 K117 F271 | I109-K113 WeakPolarHBondContact O-CG 2.94Å; I109-K113 PolarHBondContact O-N 3.4Å; I109-K113 VanDerWaalsContact O-N 3.1Å; R110-K113 PolarHBondContact O-N 3.29Å; Q111-K113 PolarHBondContact O-N 2.95Å; K113-K117 WeakPolarHBondContact O-CB 3.41Å; K113-K117 PolarHBondContact O-N 2.85Å; K113-F271 HydrophobicContact CG-CE2 3.81Å |
| 114 | E | 96.2 | Very high | 97.1 | Very high | 115 Ų | 115 | 47.5 Ų | 47.5 | 54% | 0.537 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.9 | -44.3 | 177.4 | -71.2 | 170.8 | -172.2 | 0 | 0 | 111.8 | R110 Q111 K117 A118 | R110-E114 WeakPolarHBondContact O-CG 3.35Å; R110-E114 PolarHBondContact O-N 3.25Å; Q111-E114 PolarHBondContact O-N 3.12Å; E114-K117 PolarHBondContact O-N 3.09Å; E114-A118 WeakPolarHBondContact O-CB 3.16Å; E114-A118 PolarHBondContact O-N 2.74Å |
| 115 | T | 97.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 179.2 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | Q111 L112 A118 N119 L120 E123 A124 L127 | Q111-T115 PolarHBondContact NE2-OG1 3.2Å; Q111-T115 VanDerWaalsContact O-CB 3.26Å; Q111-T115 WeakPolarHBondContact O-CB 3.39Å; Q111-T115 PolarHBondContact O-N 3.45Å; Q111-T115 PolarHBondContact O-OG1 2.93Å; L112-T115 PolarHBondContact O-N 3.48Å; T115-A118 PolarHBondContact O-N 3.5Å; T115-N119 PolarHBondContact O-N 2.84Å; T115-L120 HydrophobicContact CG2-CB 3.56Å; T115-L120 WeakPolarHBondContact CG2-O 3.43Å; T115-L120 WeakPolarHBondContact O-CB 3Å; T115-L120 PolarHBondContact O-N 2.95Å; T115-E123 HydrophobicContact CG2-CB 3.69Å; T115-A124 HydrophobicContact CG2-CB 3.87Å; T115-L127 HydrophobicContact CG2-CD1 4.39Å |
| 116 | L | 96.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 173 | -77 | 171.9 | 0 | 0 | 0 | 112.3 | L112 A118 N119 Y121 A124 W168 F271 P274 | L112-L116 HydrophobicContact CD1-CD1 4.08Å; L112-L116 HydrophobicContact CD1-CG 4.21Å; L112-L116 HydrophobicContact CG-CD1 4.14Å; L112-L116 WeakPolarHBondContact O-CB 3.47Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.33Å; L112-L116 PolarHBondContact O-N 3.18Å; L116-A118 PolarHBondContact O-N 3.17Å; L116-N119 PolarHBondContact O-N 3.24Å; L116-Y121 HydrophobicContact CD2-CD1 3.74Å; L116-Y121 HydrophobicContact CD2-CE1 3.7Å; L116-A124 HydrophobicContact CD2-CB 3.84Å; L116-A124 HydrophobicContact CG-CB 4.05Å; L116-W168 HydrophobicContact CD2-CH2 3.33Å; L116-W168 HydrophobicContact CD2-CZ2 4.16Å; L116-W168 HydrophobicContact CD2-CZ3 3.55Å; L116-W168 HydrophobicContact CG-CH2 4.43Å; L116-F271 HydrophobicContact CD1-CZ 3.69Å; L116-P274 HydrophobicContact CB-CG 4.04Å; L116-P274 HydrophobicContact CD1-CG 4.13Å |
| 117 | K | 94.7 | Very high | 97.2 | Very high | 181 Ų | 181 | 43.6 Ų | 43.6 | 79% | 0.787 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -61 | -32.1 | 176.4 | -175.1 | 178.4 | 178.8 | -178.1 | 0 | 112.1 | K113 E114 N119 | K113-K117 WeakPolarHBondContact O-CB 3.41Å; K113-K117 PolarHBondContact O-N 2.85Å; E114-K117 PolarHBondContact O-N 3.09Å; K117-N119 VanDerWaalsContact C-N 3.26Å; K117-N119 PolarHBondContact O-N 3.05Å |
| 118 | A | 96.1 | Very high | 97.2 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 47% | 0.471 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 8.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | E114 T115 L116 L120 | E114-A118 WeakPolarHBondContact O-CB 3.16Å; E114-A118 PolarHBondContact O-N 2.74Å; T115-A118 PolarHBondContact O-N 3.5Å; L116-A118 PolarHBondContact O-N 3.17Å; A118-L120 HydrophobicContact CB-CD1 4.04Å; A118-L120 HydrophobicContact CB-CG 4.04Å; A118-L120 PolarHBondContact O-N 3.23Å |
| 119 | N | 96.9 | Very high | 97.3 | Very high | 46 Ų | 46 | 43 Ų | 43 | 25% | 0.246 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 22.9 | -175 | -65.2 | -46.6 | 0 | 0 | 0 | 114.6 | T115 L116 K117 Y121 D279 C280 Q281 | T115-N119 PolarHBondContact O-N 2.84Å; L116-N119 PolarHBondContact O-N 3.24Å; K117-N119 VanDerWaalsContact C-N 3.26Å; K117-N119 PolarHBondContact O-N 3.05Å; N119-Y121 HydrophobicContact CB-CD2 4.33Å; N119-Y121 HydrophobicContact CB-CE2 3.88Å; N119-Y121 VanDerWaalsContact O-CD2 3.29Å; N119-Y121 WeakPolarHBondContact O-CD2 3.25Å; N119-Y121 PolarHBondContact O-N 2.97Å; N119-Y121 WeakPolarHBondContact OD1-CE2 3.44Å; N119-Y121 PolarHBondContact OD1-OH 3.01Å; N119-D279 PolarHBondContact ND2-O 3.04Å; N119-C280 WeakPolarHBondContact OD1-CA 3.47Å; N119-Q281 HydrophobicContact CB-CB 4.47Å; N119-Q281 PolarHBondContact OD1-N 3.44Å; N119-Q281 VanDerWaalsContact OD1-N 3.17Å |
| 120 | L | 97.1 | Very high | 97.3 | Very high | 76 Ų | 76 | 42.8 Ų | 42.8 | 40% | 0.398 | 21% | 0.208 | S | C | . | . | trans | -88.1 | 54.2 | 179.8 | -63.8 | 175 | 0 | 0 | 0 | 111.1 | T115 A118 T122 E123 A124 | T115-L120 HydrophobicContact CG2-CB 3.56Å; T115-L120 WeakPolarHBondContact CG2-O 3.43Å; T115-L120 WeakPolarHBondContact O-CB 3Å; T115-L120 PolarHBondContact O-N 2.95Å; A118-L120 HydrophobicContact CB-CD1 4.04Å; A118-L120 HydrophobicContact CB-CG 4.04Å; A118-L120 PolarHBondContact O-N 3.23Å; L120-T122 VanDerWaalsContact C-N 3.31Å; L120-T122 PolarHBondContact O-N 2.72Å; L120-E123 HydrophobicContact CB-CB 4.26Å; L120-E123 HydrophobicContact CB-CG 4.48Å; L120-E123 WeakPolarHBondContact O-CB 3.31Å; L120-E123 PolarHBondContact O-N 3.49Å; L120-A124 PolarHBondContact O-N 2.99Å | ||
| 121 | Y | 97.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.3 | -34.5 | -171.3 | -70.8 | -77.6 | 0 | 0 | 0 | 114.6 | L116 N119 E123 A124 L125 W168 Q281 Y282 P283 | L116-Y121 HydrophobicContact CD2-CD1 3.74Å; L116-Y121 HydrophobicContact CD2-CE1 3.7Å; N119-Y121 HydrophobicContact CB-CD2 4.33Å; N119-Y121 HydrophobicContact CB-CE2 3.88Å; N119-Y121 VanDerWaalsContact O-CD2 3.29Å; N119-Y121 WeakPolarHBondContact O-CD2 3.25Å; N119-Y121 PolarHBondContact O-N 2.97Å; N119-Y121 WeakPolarHBondContact OD1-CE2 3.44Å; N119-Y121 PolarHBondContact OD1-OH 3.01Å; Y121-E123 VanDerWaalsContact C-N 3.32Å; Y121-E123 PolarHBondContact O-N 2.87Å; Y121-A124 PolarHBondContact O-N 3.42Å; Y121-L125 PolarHBondContact O-N 3.3Å; Y121-W168 AromaticContact CD1-CD2 3.65Å; Y121-W168 HydrophobicContact CD1-CD2 3.65Å; Y121-W168 AromaticContact CD1-CE2 3.68Å; Y121-W168 AromaticContact CD1-CE3 3.86Å; Y121-W168 HydrophobicContact CD1-CE3 3.86Å; Y121-W168 HydrophobicContact CD1-CG 4.2Å; Y121-W168 HydrophobicContact CD1-CH2 4.15Å; Y121-W168 AromaticContact CD1-CZ2 3.94Å; Y121-W168 HydrophobicContact CD1-CZ2 3.94Å; Y121-W168 HydrophobicContact CD1-CZ3 4.1Å; Y121-W168 HydrophobicContact CE1-CD2 4.46Å; Y121-W168 HydrophobicContact CE1-CE3 4.3Å; Y121-W168 HydrophobicContact CG-CD2 4.43Å; Y121-W168 WeakPolarHBondContact O-CZ2 3.39Å; Y121-W168 PolarHBondContact O-NE1 2.87Å; Y121-Q281 WeakPolarHBondContact CD2-O 3.43Å; Y121-Q281 WeakPolarHBondContact CE2-O 3.27Å; Y121-Y282 HydrophobicContact CD1-CD1 4.4Å; Y121-Y282 AromaticContact CE1-CD1 3.68Å; Y121-Y282 HydrophobicContact CE1-CD1 3.68Å; Y121-Y282 AromaticContact CE1-CE1 3.78Å; Y121-Y282 HydrophobicContact CE1-CE1 3.78Å; Y121-Y282 AromaticContact CE2-CD1 3.94Å; Y121-Y282 HydrophobicContact CE2-CD1 3.94Å; Y121-Y282 HydrophobicContact CE2-CE1 4.34Å; Y121-Y282 AromaticContact CZ-CD1 3.43Å; Y121-Y282 VanDerWaalsContact CZ-CD1 3.43Å; Y121-Y282 AromaticContact CZ-CE1 3.48Å; Y121-Y282 VanDerWaalsContact CZ-CE1 3.48Å; Y121-Y282 WeakPolarHBondContact OH-CE1 3.38Å; Y121-P283 HydrophobicContact CD2-CG 4.48Å; Y121-P283 HydrophobicContact CG-CG 4.18Å |
| 122 | T | 95 | Very high | 97.4 | Very high | 66 Ų | 66 | 34.5 Ų | 34.5 | 41% | 0.405 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.1 | -36 | 175.3 | -55.4 | 0 | 0 | 0 | 0 | 112.1 | L120 L125 Y126 | L120-T122 VanDerWaalsContact C-N 3.31Å; L120-T122 PolarHBondContact O-N 2.72Å; T122-L125 WeakPolarHBondContact O-CB 3.4Å; T122-Y126 HydrophobicContact CG2-CE2 3.96Å; T122-Y126 WeakPolarHBondContact CG2-OH 3.44Å; T122-Y126 VanDerWaalsContact O-CD2 3.28Å; T122-Y126 WeakPolarHBondContact O-CD2 3.25Å; T122-Y126 WeakPolarHBondContact O-CE2 3.39Å |
| 123 | E | 97.3 | Very high | 97.5 | Very high | 38 Ų | 38 | 34.5 Ų | 34.5 | 18% | 0.178 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -75.4 | -37.5 | 177.2 | -66.4 | -175.2 | 176.6 | 0 | 0 | 111.6 | R77 T115 L120 Y121 L125 Y126 L127 | R77-E123 VanDerWaalsContact CD-OE2 3.23Å; R77-E123 WeakPolarHBondContact CD-OE2 3.5Å; R77-E123 HydrophobicContact CG-CB 3.67Å; R77-E123 HydrophobicContact CG-CG 4.07Å; R77-E123 IonicContact CZ-OE2 3.92Å; R77-E123 IonicContact NE-OE2 3.7Å; R77-E123 IonicContact NH1-OE1 3.31Å; R77-E123 PolarHBondContact NH1-OE1 3.33Å; R77-E123 IonicContact NH1-OE2 2.79Å; R77-E123 PolarHBondContact NH1-OE2 3.02Å; T115-E123 HydrophobicContact CG2-CB 3.69Å; L120-E123 HydrophobicContact CB-CB 4.26Å; L120-E123 HydrophobicContact CB-CG 4.48Å; L120-E123 WeakPolarHBondContact O-CB 3.31Å; L120-E123 PolarHBondContact O-N 3.49Å; Y121-E123 VanDerWaalsContact C-N 3.32Å; Y121-E123 PolarHBondContact O-N 2.87Å; E123-L125 VanDerWaalsContact C-N 3.27Å; E123-L125 PolarHBondContact O-N 2.6Å; E123-Y126 PolarHBondContact O-N 3.25Å; E123-Y126 VanDerWaalsContact O-N 3.16Å; E123-L127 WeakPolarHBondContact O-CG 3.27Å; E123-L127 PolarHBondContact O-N 3.27Å; E123-L127 VanDerWaalsContact O-N 3.15Å |
| 124 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60 | -38.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L112 T115 L116 L120 Y121 Y126 L127 V128 W168 | L112-A124 HydrophobicContact CD1-CB 3.66Å; T115-A124 HydrophobicContact CG2-CB 3.87Å; L116-A124 HydrophobicContact CD2-CB 3.84Å; L116-A124 HydrophobicContact CG-CB 4.05Å; L120-A124 PolarHBondContact O-N 2.99Å; Y121-A124 PolarHBondContact O-N 3.42Å; A124-Y126 VanDerWaalsContact C-N 3.34Å; A124-Y126 PolarHBondContact O-N 3.18Å; A124-L127 PolarHBondContact O-N 2.9Å; A124-V128 WeakPolarHBondContact O-CG2 3.44Å; A124-V128 PolarHBondContact O-N 2.98Å; A124-W168 HydrophobicContact CB-CH2 3.84Å; A124-W168 HydrophobicContact CB-CZ2 3.74Å |
| 125 | L | 98.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 24.5 Ų | 24.5 | 5% | 0.047 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55.7 | -46.9 | 173 | 168.2 | 69.6 | 0 | 0 | 0 | 112 | Y121 T122 E123 L127 V128 R129 Y171 V172 S175 | Y121-L125 PolarHBondContact O-N 3.3Å; T122-L125 WeakPolarHBondContact O-CB 3.4Å; E123-L125 VanDerWaalsContact C-N 3.27Å; E123-L125 PolarHBondContact O-N 2.6Å; L125-L127 VanDerWaalsContact C-N 3.35Å; L125-L127 PolarHBondContact O-N 3.48Å; L125-V128 PolarHBondContact O-N 3.46Å; L125-R129 HydrophobicContact CD1-CG 4.38Å; L125-R129 PolarHBondContact O-N 3.42Å; L125-Y171 HydrophobicContact CD1-CD1 4.34Å; L125-Y171 HydrophobicContact CD1-CE1 4.19Å; L125-Y171 HydrophobicContact CD2-CD1 4.42Å; L125-Y171 HydrophobicContact CD2-CE1 3.68Å; L125-V172 HydrophobicContact CB-CG2 4.39Å; L125-V172 HydrophobicContact CD1-CB 4.25Å; L125-V172 HydrophobicContact CD1-CG1 4.4Å; L125-V172 HydrophobicContact CD1-CG2 3.81Å; L125-S175 WeakPolarHBondContact CD1-OG 3.3Å |
| 126 | Y | 98.4 | Very high | 97.8 | Very high | 12 Ų | 12 | 25.5 Ų | 25.5 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.5 | -39.6 | -179.5 | -53.1 | -40.2 | 0 | 0 | 0 | 111.8 | R77 P80 T122 E123 A124 V128 R129 F130 N320 K323 | R77-Y126 VanDerWaalsContact O-CD2 3.3Å; R77-Y126 WeakPolarHBondContact O-CD2 3.4Å; P80-Y126 HydrophobicContact CB-CD1 3.52Å; P80-Y126 HydrophobicContact CB-CD2 4.2Å; P80-Y126 HydrophobicContact CB-CE1 3.87Å; P80-Y126 HydrophobicContact CB-CG 3.7Å; P80-Y126 HydrophobicContact CG-CD1 3.85Å; P80-Y126 HydrophobicContact CG-CD2 3.96Å; P80-Y126 HydrophobicContact CG-CE1 3.74Å; P80-Y126 HydrophobicContact CG-CE2 3.86Å; P80-Y126 HydrophobicContact CG-CG 3.95Å; T122-Y126 HydrophobicContact CG2-CE2 3.96Å; T122-Y126 WeakPolarHBondContact CG2-OH 3.44Å; T122-Y126 VanDerWaalsContact O-CD2 3.28Å; T122-Y126 WeakPolarHBondContact O-CD2 3.25Å; T122-Y126 WeakPolarHBondContact O-CE2 3.39Å; E123-Y126 PolarHBondContact O-N 3.25Å; E123-Y126 VanDerWaalsContact O-N 3.16Å; A124-Y126 VanDerWaalsContact C-N 3.34Å; A124-Y126 PolarHBondContact O-N 3.18Å; Y126-V128 VanDerWaalsContact C-N 3.32Å; Y126-V128 PolarHBondContact O-N 2.99Å; Y126-R129 PolarHBondContact O-N 3.24Å; Y126-F130 WeakPolarHBondContact O-CB 3.25Å; Y126-F130 PolarHBondContact O-N 3.27Å; Y126-N320 PolarHBondContact OH-OD1 3.18Å; Y126-K323 PolarHBondContact OH-NZ 3.38Å |
| 127 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 173.8 | -64.8 | 172.3 | 0 | 0 | 0 | 111.4 | A76 R77 M108 Q111 L112 T115 E123 A124 L125 F130 L131 | A76-L127 HydrophobicContact CB-CD2 4.3Å; R77-L127 HydrophobicContact CB-CD2 4.03Å; M108-L127 HydrophobicContact CE-CB 4.21Å; M108-L127 HydrophobicContact CE-CD2 3.49Å; M108-L127 VanDerWaalsContact CE-CD2 3.49Å; M108-L127 HydrophobicContact CE-CG 4.47Å; M108-L127 HydrophobicContact SD-CD2 3.93Å; Q111-L127 HydrophobicContact CB-CD1 4.39Å; Q111-L127 HydrophobicContact CG-CD1 3.83Å; Q111-L127 HydrophobicContact CG-CD2 4.31Å; L112-L127 HydrophobicContact CB-CD1 4.28Å; L112-L127 HydrophobicContact CD1-CB 4.35Å; L112-L127 HydrophobicContact CD1-CD1 4.48Å; T115-L127 HydrophobicContact CG2-CD1 4.39Å; E123-L127 WeakPolarHBondContact O-CG 3.27Å; E123-L127 PolarHBondContact O-N 3.27Å; E123-L127 VanDerWaalsContact O-N 3.15Å; A124-L127 PolarHBondContact O-N 2.9Å; L125-L127 VanDerWaalsContact C-N 3.35Å; L125-L127 PolarHBondContact O-N 3.48Å; L127-F130 WeakPolarHBondContact O-CB 3.24Å; L127-F130 PolarHBondContact O-N 3.14Å; L127-L131 WeakPolarHBondContact O-CG 3.24Å; L127-L131 PolarHBondContact O-N 3.49Å |
| 128 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.1 | -44.9 | 177 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | L112 A124 L125 Y126 F130 L131 C132 M148 F149 F152 V172 | L112-V128 HydrophobicContact CD1-CG2 3.94Å; L112-V128 HydrophobicContact CD2-CG2 3.9Å; A124-V128 WeakPolarHBondContact O-CG2 3.44Å; A124-V128 PolarHBondContact O-N 2.98Å; L125-V128 PolarHBondContact O-N 3.46Å; Y126-V128 VanDerWaalsContact C-N 3.32Å; Y126-V128 PolarHBondContact O-N 2.99Å; V128-F130 PolarHBondContact O-N 2.85Å; V128-L131 PolarHBondContact O-N 3.26Å; V128-C132 PolarHBondContact O-N 3.42Å; V128-C132 PolarHBondContact O-SG 2.92Å; V128-M148 HydrophobicContact CG2-CE 4.32Å; V128-F149 HydrophobicContact CG1-CE1 4.21Å; V128-F152 HydrophobicContact CG1-CE2 4.08Å; V128-F152 HydrophobicContact CG2-CE2 3.93Å; V128-F152 HydrophobicContact CG2-CZ 4.06Å; V128-V172 HydrophobicContact CB-CG1 3.75Å; V128-V172 HydrophobicContact CG1-CG1 3.5Å; V128-V172 HydrophobicContact CG2-CG1 3.97Å |
| 129 | R | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 16 Ų | 16 | 2% | 0.019 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.8 | -35.2 | 175 | -71.6 | -177.1 | -174.8 | 165.9 | 1.7 | 112 | L83 L125 Y126 C132 D133 S175 D316 | L83-R129 HydrophobicContact CD2-CB 4.06Å; L125-R129 HydrophobicContact CD1-CG 4.38Å; L125-R129 PolarHBondContact O-N 3.42Å; Y126-R129 PolarHBondContact O-N 3.24Å; R129-C132 WeakPolarHBondContact O-CB 3.5Å; R129-C132 PolarHBondContact O-N 2.93Å; R129-D133 PolarHBondContact O-N 3.32Å; R129-S175 PolarHBondContact NE-O 3.18Å; R129-S175 PolarHBondContact NH2-OG 3.27Å; R129-D316 IonicContact CZ-OD1 3.74Å; R129-D316 IonicContact CZ-OD2 3.56Å; R129-D316 IonicContact NH1-OD1 2.91Å; R129-D316 PolarHBondContact NH1-OD1 2.92Å; R129-D316 IonicContact NH1-OD2 2.66Å; R129-D316 PolarHBondContact NH1-OD2 3.38Å; R129-D316 IonicContact NH2-OD1 3.84Å; R129-D316 PolarHBondContact NH2-OD1 3.37Å |
| 130 | F | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 0% | 0.004 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.4 | -49.6 | 174.1 | -160.4 | -76.4 | 0 | 0 | 0 | 111.6 | A76 L83 T87 V90 F104 M108 Y126 L127 V128 C132 D133 L134 | A76-F130 HydrophobicContact CB-CB 4.33Å; A76-F130 HydrophobicContact CB-CD1 4.25Å; A76-F130 HydrophobicContact CB-CD2 3.31Å; A76-F130 HydrophobicContact CB-CE1 4.41Å; A76-F130 HydrophobicContact CB-CE2 3.5Å; A76-F130 VanDerWaalsContact CB-CE2 3.5Å; A76-F130 HydrophobicContact CB-CG 3.72Å; A76-F130 HydrophobicContact CB-CZ 4.07Å; L83-F130 HydrophobicContact CD1-CB 3.79Å; L83-F130 HydrophobicContact CD1-CD2 3.53Å; L83-F130 HydrophobicContact CD1-CE2 4.45Å; L83-F130 HydrophobicContact CD1-CG 3.97Å; T87-F130 HydrophobicContact CG2-CD1 3.89Å; T87-F130 HydrophobicContact CG2-CD2 4.01Å; T87-F130 HydrophobicContact CG2-CE1 3.84Å; T87-F130 HydrophobicContact CG2-CE2 3.98Å; T87-F130 HydrophobicContact CG2-CG 3.97Å; T87-F130 HydrophobicContact CG2-CZ 3.88Å; V90-F130 HydrophobicContact CG2-CE1 4.22Å; V90-F130 HydrophobicContact CG2-CZ 4.08Å; F104-F130 HydrophobicContact CE1-CD1 4.36Å; F104-F130 AromaticContact CE1-CE1 3.71Å; F104-F130 HydrophobicContact CE1-CE1 3.71Å; F104-F130 HydrophobicContact CZ-CD1 4.43Å; F104-F130 AromaticContact CZ-CE1 3.7Å; F104-F130 HydrophobicContact CZ-CE1 3.7Å; F104-F130 HydrophobicContact CZ-CZ 4.2Å; M108-F130 HydrophobicContact CE-CB 3.91Å; M108-F130 HydrophobicContact CE-CD1 3.84Å; M108-F130 HydrophobicContact CE-CG 3.99Å; Y126-F130 WeakPolarHBondContact O-CB 3.25Å; Y126-F130 PolarHBondContact O-N 3.27Å; L127-F130 WeakPolarHBondContact O-CB 3.24Å; L127-F130 PolarHBondContact O-N 3.14Å; V128-F130 PolarHBondContact O-N 2.85Å; F130-C132 VanDerWaalsContact C-N 3.25Å; F130-C132 PolarHBondContact O-N 3.24Å; F130-D133 PolarHBondContact O-N 2.7Å; F130-L134 HydrophobicContact CD1-CD1 3.8Å; F130-L134 HydrophobicContact CD1-CG 3.94Å; F130-L134 HydrophobicContact CE1-CD1 3.87Å; F130-L134 HydrophobicContact CE1-CD2 4.08Å; F130-L134 HydrophobicContact CE1-CG 3.96Å; F130-L134 WeakPolarHBondContact O-CG 3.36Å; F130-L134 PolarHBondContact O-N 2.9Å |
| 131 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59.1 | -37.7 | 174.3 | -66.4 | 171 | 0 | 0 | 0 | 112 | M108 I109 L127 V128 L134 I140 M145 M148 L268 | M108-L131 HydrophobicContact CB-CD2 3.89Å; M108-L131 HydrophobicContact CE-CG 4.5Å; I109-L131 HydrophobicContact CD1-CD1 3.76Å; L127-L131 WeakPolarHBondContact O-CG 3.24Å; L127-L131 PolarHBondContact O-N 3.49Å; V128-L131 PolarHBondContact O-N 3.26Å; L131-L134 HydrophobicContact CD2-CD1 4.47Å; L131-I140 HydrophobicContact CB-CD1 4.14Å; L131-I140 HydrophobicContact CD2-CD1 3.62Å; L131-M145 HydrophobicContact CB-CE 4.48Å; L131-M145 HydrophobicContact CB-SD 4.08Å; L131-M148 HydrophobicContact CD1-CE 4.4Å; L131-L268 HydrophobicContact CD2-CD2 4.35Å |
| 132 | C | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63 | -51.2 | 176.4 | -67.4 | 0 | 0 | 0 | 0 | 111.8 | V128 R129 F130 L134 V135 M145 F149 S176 V180 | V128-C132 PolarHBondContact O-N 3.42Å; V128-C132 PolarHBondContact O-SG 2.92Å; R129-C132 WeakPolarHBondContact O-CB 3.5Å; R129-C132 PolarHBondContact O-N 2.93Å; F130-C132 VanDerWaalsContact C-N 3.25Å; F130-C132 PolarHBondContact O-N 3.24Å; C132-L134 VanDerWaalsContact C-N 3.26Å; C132-L134 PolarHBondContact O-N 2.87Å; C132-V135 VanDerWaalsContact O-CB 3.3Å; C132-V135 WeakPolarHBondContact O-CB 3.35Å; C132-V135 WeakPolarHBondContact O-CG2 3.39Å; C132-V135 PolarHBondContact O-N 3.23Å; C132-V135 VanDerWaalsContact O-N 3.1Å; C132-M145 HydrophobicContact CB-CE 4.48Å; C132-M145 WeakPolarHBondContact SG-CE 2.96Å; C132-F149 WeakPolarHBondContact SG-CZ 3.33Å; C132-S176 VanDerWaalsContact SG-CB 3.56Å; C132-V180 HydrophobicContact CB-CB 3.92Å; C132-V180 HydrophobicContact CB-CG1 3.74Å; C132-V180 HydrophobicContact CB-CG2 4.45Å; C132-V180 WeakPolarHBondContact O-CG2 3.3Å |
| 133 | D | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -74 | -17.9 | -177 | -170.9 | 64.7 | 0 | 0 | 0 | 113 | T87 R129 F130 V135 N136 C137 W179 Y253 | T87-D133 WeakPolarHBondContact CB-OD2 3.36Å; T87-D133 HydrophobicContact CG2-CB 4.06Å; T87-D133 PolarHBondContact OG1-OD2 3.24Å; R129-D133 PolarHBondContact O-N 3.32Å; F130-D133 PolarHBondContact O-N 2.7Å; D133-V135 PolarHBondContact O-N 3.11Å; D133-N136 WeakPolarHBondContact O-CB 3.49Å; D133-N136 PolarHBondContact O-N 3.27Å; D133-N136 VanDerWaalsContact O-N 3.14Å; D133-N136 PolarHBondContact OD1-ND2 3.45Å; D133-C137 PolarHBondContact O-N 2.93Å; D133-C137 PolarHBondContact O-SG 3.24Å; D133-W179 HydrophobicContact CB-CB 4.29Å; D133-Y253 WeakPolarHBondContact OD1-CE1 3.47Å; D133-Y253 PolarHBondContact OD1-OH 3.07Å; D133-Y253 WeakPolarHBondContact OD2-CE1 3.29Å |
| 134 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.4 | -20.2 | 166.9 | -78.7 | 179.9 | 0 | 0 | 0 | 114.1 | T87 V90 F104 F130 L131 C132 C137 H138 V139 I140 | T87-L134 HydrophobicContact CG2-CD2 4.11Å; T87-L134 HydrophobicContact CG2-CG 4.1Å; V90-L134 HydrophobicContact CB-CD2 3.89Å; V90-L134 HydrophobicContact CG1-CD2 3.69Å; F104-L134 HydrophobicContact CE1-CD1 4.01Å; F130-L134 HydrophobicContact CD1-CD1 3.8Å; F130-L134 HydrophobicContact CD1-CG 3.94Å; F130-L134 HydrophobicContact CE1-CD1 3.87Å; F130-L134 HydrophobicContact CE1-CD2 4.08Å; F130-L134 HydrophobicContact CE1-CG 3.96Å; F130-L134 WeakPolarHBondContact O-CG 3.36Å; F130-L134 PolarHBondContact O-N 2.9Å; L131-L134 HydrophobicContact CD2-CD1 4.47Å; C132-L134 VanDerWaalsContact C-N 3.26Å; C132-L134 PolarHBondContact O-N 2.87Å; L134-C137 PolarHBondContact O-N 3.13Å; L134-H138 PolarHBondContact O-N 3.15Å; L134-V139 HydrophobicContact CB-CB 4.2Å; L134-V139 HydrophobicContact CD2-CB 4.08Å; L134-V139 HydrophobicContact CD2-CG1 4.45Å; L134-V139 HydrophobicContact CD2-CG2 3.95Å; L134-V139 PolarHBondContact O-N 3.41Å; L134-I140 HydrophobicContact CB-CD1 3.87Å; L134-I140 HydrophobicContact CB-CG1 4.22Å; L134-I140 HydrophobicContact CD1-CD1 3.91Å; L134-I140 PolarHBondContact O-N 3.44Å |
| 135 | V | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 9.1 Ų | 9.1 | 2% | 0.018 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 170 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | C132 D133 C137 H138 I140 A142 M145 V180 E183 L184 | C132-V135 VanDerWaalsContact O-CB 3.3Å; C132-V135 WeakPolarHBondContact O-CB 3.35Å; C132-V135 WeakPolarHBondContact O-CG2 3.39Å; C132-V135 PolarHBondContact O-N 3.23Å; C132-V135 VanDerWaalsContact O-N 3.1Å; D133-V135 PolarHBondContact O-N 3.11Å; V135-C137 PolarHBondContact O-N 3.08Å; V135-H138 PolarHBondContact O-N 2.96Å; V135-I140 WeakPolarHBondContact CA-O 3.46Å; V135-I140 HydrophobicContact CG2-CB 4.14Å; V135-I140 HydrophobicContact CG2-CG2 4.11Å; V135-A142 HydrophobicContact CG1-CB 3.84Å; V135-M145 HydrophobicContact CG2-CB 4.14Å; V135-M145 HydrophobicContact CG2-CG 3.28Å; V135-V180 HydrophobicContact CB-CG2 3.79Å; V135-V180 HydrophobicContact CG1-CG2 4.25Å; V135-V180 HydrophobicContact CG2-CG2 4.08Å; V135-E183 HydrophobicContact CG1-CG 3.74Å; V135-L184 HydrophobicContact CG1-CD2 4.44Å |
| 136 | N | 98.3 | Very high | 98.5 | Very high | 25 Ų | 25 | 8.9 Ų | 8.9 | 13% | 0.134 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.2 | -21.3 | 176.7 | -57.6 | -48.3 | 0 | 0 | 0 | 112.3 | D133 H138 W179 Y253 | D133-N136 WeakPolarHBondContact O-CB 3.49Å; D133-N136 PolarHBondContact O-N 3.27Å; D133-N136 VanDerWaalsContact O-N 3.14Å; D133-N136 PolarHBondContact OD1-ND2 3.45Å; N136-H138 VanDerWaalsContact C-N 3.33Å; N136-W179 PolarHBondContact ND2-O 2.84Å; N136-Y253 HydrophobicContact CB-CD2 4.32Å; N136-Y253 HydrophobicContact CB-CE1 4.3Å; N136-Y253 HydrophobicContact CB-CE2 3.62Å; N136-Y253 PolarHBondContact ND2-OH 3.36Å |
| 137 | C | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 8.5 | 175.8 | -58 | 0 | 0 | 0 | 0 | 113.2 | T87 D133 L134 V135 V139 Y253 | T87-C137 VanDerWaalsContact C-SG 3.54Å; D133-C137 PolarHBondContact O-N 2.93Å; D133-C137 PolarHBondContact O-SG 3.24Å; L134-C137 PolarHBondContact O-N 3.13Å; V135-C137 PolarHBondContact O-N 3.08Å; C137-V139 HydrophobicContact CB-CG2 4.19Å; C137-V139 PolarHBondContact O-N 3.19Å; C137-Y253 WeakPolarHBondContact SG-CD1 3.3Å |
| 138 | H | 97.9 | Very high | 98.5 | Very high | 42 Ų | 42 | 10.6 Ų | 10.6 | 19% | 0.194 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 28.1 | -176.5 | -61.8 | -95.2 | 0 | 0 | 0 | 114.5 | L134 V135 N136 L260 Q265 | L134-H138 PolarHBondContact O-N 3.15Å; V135-H138 PolarHBondContact O-N 2.96Å; N136-H138 VanDerWaalsContact C-N 3.33Å; H138-L260 WeakPolarHBondContact CB-O 3.24Å; H138-Q265 HydrophobicContact CB-CG 4.5Å; H138-Q265 WeakPolarHBondContact O-CG 3.02Å |
| 139 | V | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -91.5 | -40 | 174.1 | -177.7 | 0 | 0 | 0 | 0 | 111 | V90 N94 V105 L134 C137 H266 | V90-V139 HydrophobicContact CG1-CG2 4.48Å; N94-V139 HydrophobicContact CB-CG1 4.36Å; N94-V139 HydrophobicContact CB-CG2 3.97Å; V105-V139 HydrophobicContact CG2-CG1 4.08Å; L134-V139 HydrophobicContact CB-CB 4.2Å; L134-V139 HydrophobicContact CD2-CB 4.08Å; L134-V139 HydrophobicContact CD2-CG1 4.45Å; L134-V139 HydrophobicContact CD2-CG2 3.95Å; L134-V139 PolarHBondContact O-N 3.41Å; C137-V139 HydrophobicContact CB-CG2 4.19Å; C137-V139 PolarHBondContact O-N 3.19Å; V139-H266 PolarHBondContact O-CD2 3.1Å; V139-H266 PolarHBondContact O-N 3.07Å |
| 140 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | B | Isolated β-bridge | trans | -113.6 | 136.1 | -179.2 | -66.5 | 169.8 | 0 | 0 | 0 | 110 | V105 L131 L134 V135 S144 M145 H266 L268 | V105-I140 HydrophobicContact CG2-CD1 4.2Å; V105-I140 HydrophobicContact CG2-CG1 3.97Å; L131-I140 HydrophobicContact CB-CD1 4.14Å; L131-I140 HydrophobicContact CD2-CD1 3.62Å; L134-I140 HydrophobicContact CB-CD1 3.87Å; L134-I140 HydrophobicContact CB-CG1 4.22Å; L134-I140 HydrophobicContact CD1-CD1 3.91Å; L134-I140 PolarHBondContact O-N 3.44Å; V135-I140 WeakPolarHBondContact CA-O 3.46Å; V135-I140 HydrophobicContact CG2-CB 4.14Å; V135-I140 HydrophobicContact CG2-CG2 4.11Å; I140-S144 WeakPolarHBondContact CG2-OG 3.45Å; I140-M145 HydrophobicContact CG2-CG 3.83Å; I140-M145 HydrophobicContact CG2-SD 4.22Å; I140-H266 WeakPolarHBondContact CA-O 3.43Å; I140-L268 HydrophobicContact CD1-CD2 3.85Å; I140-L268 HydrophobicContact CG1-CD2 4.31Å; I140-L268 HydrophobicContact CG2-CD1 4.43Å; I140-L268 HydrophobicContact CG2-CD2 4.3Å; I140-L268 HydrophobicContact CG2-CG 3.92Å |
| 141 | A | 98.3 | Very high | 98.4 | Very high | 9 Ų | 9 | 15.3 Ų | 15.3 | 7% | 0.074 | 9% | 0.092 | C | C | . | . | trans | -72.3 | 127.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P143 S144 Q265 H266 | A141-P143 VanDerWaalsContact C-N 3.34Å; A141-S144 PolarHBondContact O-N 2.95Å; A141-S144 PolarHBondContact O-OG 3.17Å; A141-Q265 HydrophobicContact CB-CB 4.23Å; A141-H266 PolarHBondContact N-O 3.49Å | ||
| 142 | A | 98.2 | Very high | 98.4 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 4% | 0.041 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -49.4 | -41.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V135 S144 M145 V146 L184 K187 | V135-A142 HydrophobicContact CG1-CB 3.84Å; A142-S144 VanDerWaalsContact C-N 3.25Å; A142-S144 PolarHBondContact O-N 3.29Å; A142-M145 PolarHBondContact O-N 3.49Å; A142-M145 VanDerWaalsContact O-N 3.14Å; A142-V146 PolarHBondContact O-N 3.15Å; A142-L184 HydrophobicContact CB-CD2 3.87Å; A142-K187 HydrophobicContact CB-CB 4.2Å; A142-K187 HydrophobicContact CB-CG 4.11Å |
| 143 | P | 98.3 | Very high | 98.4 | Very high | 67 Ų | 67 | 15.3 Ų | 15.3 | 44% | 0.435 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -58.5 | -34.6 | 177.7 | -26.1 | 36.1 | 0 | 0 | 0 | 113.9 | A141 V146 A147 | A141-P143 VanDerWaalsContact C-N 3.34Å; P143-V146 PolarHBondContact O-N 3.37Å; P143-A147 PolarHBondContact O-N 2.93Å |
| 144 | S | 97.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 17.9 Ų | 17.9 | 9% | 0.091 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -72.6 | -30.8 | 180 | 72 | 0 | 0 | 0 | 0 | 112.5 | I140 A141 A142 M148 L268 | I140-S144 WeakPolarHBondContact CG2-OG 3.45Å; A141-S144 PolarHBondContact O-N 2.95Å; A141-S144 PolarHBondContact O-OG 3.17Å; A142-S144 VanDerWaalsContact C-N 3.25Å; A142-S144 PolarHBondContact O-N 3.29Å; S144-M148 PolarHBondContact O-N 2.88Å; S144-M148 VanDerWaalsContact O-N 3.14Å; S144-L268 PolarHBondContact OG-N 3.34Å |
| 145 | M | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.9 | -40.8 | 170.6 | -77.2 | -52.6 | -50 | 0 | 0 | 112.7 | L131 C132 V135 I140 A142 A147 M148 F149 L184 L268 | L131-M145 HydrophobicContact CB-CE 4.48Å; L131-M145 HydrophobicContact CB-SD 4.08Å; C132-M145 HydrophobicContact CB-CE 4.48Å; C132-M145 WeakPolarHBondContact SG-CE 2.96Å; V135-M145 HydrophobicContact CG2-CB 4.14Å; V135-M145 HydrophobicContact CG2-CG 3.28Å; I140-M145 HydrophobicContact CG2-CG 3.83Å; I140-M145 HydrophobicContact CG2-SD 4.22Å; A142-M145 PolarHBondContact O-N 3.49Å; A142-M145 VanDerWaalsContact O-N 3.14Å; M145-A147 VanDerWaalsContact C-N 3.34Å; M145-A147 PolarHBondContact O-N 3.34Å; M145-M148 HydrophobicContact CE-SD 4.33Å; M145-M148 WeakPolarHBondContact O-CB 3.4Å; M145-M148 PolarHBondContact O-N 3.2Å; M145-F149 HydrophobicContact CE-CE1 4.08Å; M145-F149 HydrophobicContact CE-CZ 4.32Å; M145-F149 PolarHBondContact O-N 3.14Å; M145-L184 HydrophobicContact CB-CD2 4.07Å; M145-L268 HydrophobicContact CG-CD1 4.42Å; M145-L268 HydrophobicContact SD-CD1 3.33Å; M145-L268 WeakPolarHBondContact SD-CD1 3.46Å; M145-L268 HydrophobicContact SD-CG 4.38Å |
| 146 | V | 98.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.024 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 175.3 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | A142 P143 M148 F149 E150 L184 K188 E191 M192 | A142-V146 PolarHBondContact O-N 3.15Å; P143-V146 PolarHBondContact O-N 3.37Å; V146-M148 VanDerWaalsContact C-N 3.3Å; V146-M148 PolarHBondContact O-N 2.91Å; V146-F149 PolarHBondContact O-N 3.1Å; V146-F149 VanDerWaalsContact O-N 3.12Å; V146-E150 HydrophobicContact CG1-CG 4.46Å; V146-E150 WeakPolarHBondContact O-CG 3.2Å; V146-E150 PolarHBondContact O-N 3.15Å; V146-L184 HydrophobicContact CG2-CB 4.26Å; V146-L184 HydrophobicContact CG2-CD1 4.32Å; V146-L184 HydrophobicContact CG2-CD2 4.15Å; V146-L184 HydrophobicContact CG2-CG 4.46Å; V146-K188 HydrophobicContact CG2-CB 3.93Å; V146-K188 HydrophobicContact CG2-CG 4.13Å; V146-E191 HydrophobicContact CG1-CB 3.82Å; V146-M192 HydrophobicContact CG2-SD 4.1Å |
| 147 | A | 98.3 | Very high | 98.2 | Very high | 44 Ų | 44 | 22.5 Ų | 22.5 | 36% | 0.364 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -59.7 | -39.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | P143 M145 E150 N151 | P143-A147 PolarHBondContact O-N 2.93Å; M145-A147 VanDerWaalsContact C-N 3.34Å; M145-A147 PolarHBondContact O-N 3.34Å; A147-E150 PolarHBondContact O-N 3.26Å; A147-N151 PolarHBondContact O-N 3.11Å; A147-N151 VanDerWaalsContact O-N 3.14Å; A147-N151 PolarHBondContact O-ND2 3.39Å |
| 148 | M | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.02 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 174.2 | -175.9 | 172.5 | -176.7 | 0 | 0 | 112.1 | I109 L112 V128 L131 S144 M145 V146 N151 F152 L268 F271 | I109-M148 HydrophobicContact CD1-CE 4.4Å; L112-M148 HydrophobicContact CD2-CE 3.37Å; V128-M148 HydrophobicContact CG2-CE 4.32Å; L131-M148 HydrophobicContact CD1-CE 4.4Å; S144-M148 PolarHBondContact O-N 2.88Å; S144-M148 VanDerWaalsContact O-N 3.14Å; M145-M148 HydrophobicContact CE-SD 4.33Å; M145-M148 WeakPolarHBondContact O-CB 3.4Å; M145-M148 PolarHBondContact O-N 3.2Å; V146-M148 VanDerWaalsContact C-N 3.3Å; V146-M148 PolarHBondContact O-N 2.91Å; M148-N151 PolarHBondContact O-N 2.9Å; M148-F152 HydrophobicContact CE-CE1 3.88Å; M148-F152 HydrophobicContact CE-CE2 4.3Å; M148-F152 HydrophobicContact CE-CZ 3.44Å; M148-F152 VanDerWaalsContact CE-CZ 3.44Å; M148-F152 HydrophobicContact CG-CD1 4.45Å; M148-F152 HydrophobicContact CG-CE1 4Å; M148-F152 HydrophobicContact CG-CZ 4.19Å; M148-F152 VanDerWaalsContact O-CD1 3.29Å; M148-F152 WeakPolarHBondContact O-CD1 3.5Å; M148-F152 PolarHBondContact O-N 3.4Å; M148-L268 HydrophobicContact CB-CD1 4.43Å; M148-L268 HydrophobicContact SD-CD1 3.66Å; M148-F271 HydrophobicContact CE-CB 4.44Å; M148-F271 HydrophobicContact CE-CD1 4.29Å; M148-F271 HydrophobicContact CE-CD2 4.13Å; M148-F271 HydrophobicContact CE-CG 4.01Å; M148-F271 HydrophobicContact CG-CB 4.26Å |
| 149 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.3 | -35.9 | 175.3 | -73.4 | -14.6 | 0 | 0 | 0 | 113 | V128 C132 M145 V146 N151 F152 V153 V173 L177 V180 L184 L195 | V128-F149 HydrophobicContact CG1-CE1 4.21Å; C132-F149 WeakPolarHBondContact SG-CZ 3.33Å; M145-F149 HydrophobicContact CE-CE1 4.08Å; M145-F149 HydrophobicContact CE-CZ 4.32Å; M145-F149 PolarHBondContact O-N 3.14Å; V146-F149 PolarHBondContact O-N 3.1Å; V146-F149 VanDerWaalsContact O-N 3.12Å; F149-N151 VanDerWaalsContact C-N 3.31Å; F149-N151 PolarHBondContact O-N 2.83Å; F149-F152 HydrophobicContact CD1-CD2 4.43Å; F149-F152 WeakPolarHBondContact O-CB 3.43Å; F149-F152 PolarHBondContact O-N 3.38Å; F149-F152 VanDerWaalsContact O-N 3.11Å; F149-V153 WeakPolarHBondContact O-CG2 3.4Å; F149-V153 PolarHBondContact O-N 2.95Å; F149-V173 HydrophobicContact CB-CG1 4.32Å; F149-V173 HydrophobicContact CB-CG2 4.2Å; F149-V173 HydrophobicContact CD1-CB 4.45Å; F149-V173 HydrophobicContact CD1-CG1 4.31Å; F149-V173 HydrophobicContact CD1-CG2 3.77Å; F149-V173 HydrophobicContact CD2-CG1 3.99Å; F149-V173 HydrophobicContact CE1-CG2 4.27Å; F149-V173 HydrophobicContact CE2-CG1 4.25Å; F149-V173 HydrophobicContact CG-CG1 4Å; F149-V173 HydrophobicContact CG-CG2 4.07Å; F149-L177 HydrophobicContact CE2-CD2 4.26Å; F149-V180 HydrophobicContact CE2-CG1 4.32Å; F149-V180 HydrophobicContact CZ-CG1 4.47Å; F149-L184 HydrophobicContact CD2-CD1 3.77Å; F149-L184 HydrophobicContact CE2-CD1 3.47Å; F149-L184 VanDerWaalsContact CE2-CD1 3.47Å; F149-L195 HydrophobicContact CB-CD1 3.53Å |
| 150 | E | 98.4 | Very high | 97.8 | Very high | 48 Ų | 48 | 39.8 Ų | 39.8 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | 172.6 | -71.8 | 177.5 | 164.9 | 0 | 0 | 111.2 | V146 A147 F152 V153 S154 R194 L195 | V146-E150 HydrophobicContact CG1-CG 4.46Å; V146-E150 WeakPolarHBondContact O-CG 3.2Å; V146-E150 PolarHBondContact O-N 3.15Å; A147-E150 PolarHBondContact O-N 3.26Å; E150-F152 VanDerWaalsContact C-N 3.28Å; E150-F152 PolarHBondContact O-N 3.11Å; E150-V153 PolarHBondContact O-N 3.25Å; E150-S154 PolarHBondContact O-N 3.36Å; E150-R194 IonicContact OE1-CZ 3.93Å; E150-R194 IonicContact OE1-NH2 2.79Å; E150-R194 PolarHBondContact OE1-NH2 3.25Å; E150-R194 IonicContact OE2-NH2 3.58Å; E150-R194 PolarHBondContact OE2-NH2 3.36Å; E150-L195 HydrophobicContact CG-CD1 4.27Å |
| 151 | N | 98.1 | Very high | 97.7 | Very high | 57 Ų | 57 | 41.4 Ų | 41.4 | 31% | 0.305 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.2 | -27.4 | 174.8 | -65.9 | -20 | 0 | 0 | 0 | 112.9 | A147 M148 F149 S154 F271 P273 | A147-N151 PolarHBondContact O-N 3.11Å; A147-N151 VanDerWaalsContact O-N 3.14Å; A147-N151 PolarHBondContact O-ND2 3.39Å; M148-N151 PolarHBondContact O-N 2.9Å; F149-N151 VanDerWaalsContact C-N 3.31Å; F149-N151 PolarHBondContact O-N 2.83Å; N151-S154 PolarHBondContact O-OG 2.79Å; N151-F271 PolarHBondContact ND2-O 3.43Å; N151-P273 VanDerWaalsContact O-CG 3.28Å; N151-P273 WeakPolarHBondContact O-CG 3.26Å |
| 152 | F | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.6 | -45 | 174.3 | -76.7 | 12.7 | 0 | 0 | 0 | 111.1 | V128 M148 F149 E150 S154 V155 F169 V172 V173 F271 P273 | V128-F152 HydrophobicContact CG1-CE2 4.08Å; V128-F152 HydrophobicContact CG2-CE2 3.93Å; V128-F152 HydrophobicContact CG2-CZ 4.06Å; M148-F152 HydrophobicContact CE-CE1 3.88Å; M148-F152 HydrophobicContact CE-CE2 4.3Å; M148-F152 HydrophobicContact CE-CZ 3.44Å; M148-F152 VanDerWaalsContact CE-CZ 3.44Å; M148-F152 HydrophobicContact CG-CD1 4.45Å; M148-F152 HydrophobicContact CG-CE1 4Å; M148-F152 HydrophobicContact CG-CZ 4.19Å; M148-F152 VanDerWaalsContact O-CD1 3.29Å; M148-F152 WeakPolarHBondContact O-CD1 3.5Å; M148-F152 PolarHBondContact O-N 3.4Å; F149-F152 HydrophobicContact CD1-CD2 4.43Å; F149-F152 WeakPolarHBondContact O-CB 3.43Å; F149-F152 PolarHBondContact O-N 3.38Å; F149-F152 VanDerWaalsContact O-N 3.11Å; E150-F152 VanDerWaalsContact C-N 3.28Å; E150-F152 PolarHBondContact O-N 3.11Å; F152-S154 VanDerWaalsContact C-N 3.29Å; F152-S154 PolarHBondContact O-N 3.28Å; F152-V155 VanDerWaalsContact O-CB 3.31Å; F152-V155 WeakPolarHBondContact O-CB 3.4Å; F152-V155 WeakPolarHBondContact O-CG2 3.03Å; F152-V155 PolarHBondContact O-N 3.44Å; F152-F169 HydrophobicContact CB-CB 4.27Å; F152-F169 HydrophobicContact CB-CD1 3.92Å; F152-F169 AromaticContact CD1-CD1 3.79Å; F152-F169 HydrophobicContact CD1-CD1 3.79Å; F152-F169 AromaticContact CD1-CE1 3.95Å; F152-F169 HydrophobicContact CD1-CE1 3.95Å; F152-F169 AromaticContact CD2-CD1 3.94Å; F152-F169 HydrophobicContact CD2-CD1 3.94Å; F152-F169 HydrophobicContact CE1-CD1 4.21Å; F152-F169 HydrophobicContact CE1-CE1 4.01Å; F152-F169 HydrophobicContact CE2-CD1 4.34Å; F152-F169 AromaticContact CG-CD1 3.62Å; F152-F169 HydrophobicContact CG-CD1 3.62Å; F152-F169 HydrophobicContact CG-CE1 4.24Å; F152-F169 HydrophobicContact CZ-CD1 4.45Å; F152-F169 HydrophobicContact CZ-CE1 4.35Å; F152-V172 HydrophobicContact CD2-CB 4.49Å; F152-V172 HydrophobicContact CD2-CG1 3.96Å; F152-V172 HydrophobicContact CE2-CB 4.49Å; F152-V172 HydrophobicContact CE2-CG1 3.62Å; F152-V173 HydrophobicContact CB-CG2 3.78Å; F152-V173 HydrophobicContact CD2-CG2 3.99Å; F152-V173 HydrophobicContact CG-CG2 4.39Å; F152-F271 HydrophobicContact CD1-CD1 4.4Å; F152-F271 HydrophobicContact CD1-CE1 4.43Å; F152-F271 AromaticContact CE1-CD1 3.57Å; F152-F271 HydrophobicContact CE1-CD1 3.57Å; F152-F271 AromaticContact CE1-CE1 3.47Å; F152-F271 HydrophobicContact CE1-CE1 3.47Å; F152-F271 VanDerWaalsContact CE1-CE1 3.47Å; F152-F271 HydrophobicContact CE1-CZ 4.39Å; F152-F271 HydrophobicContact CZ-CD1 4.45Å; F152-F271 HydrophobicContact CZ-CE1 4.19Å; F152-P273 HydrophobicContact CD1-CG 4.25Å |
| 153 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.9 | -26.4 | -179.9 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | F149 E150 V155 T156 V173 L195 Q198 I199 | F149-V153 WeakPolarHBondContact O-CG2 3.4Å; F149-V153 PolarHBondContact O-N 2.95Å; E150-V153 PolarHBondContact O-N 3.25Å; V153-V155 PolarHBondContact O-N 3.43Å; V153-V155 VanDerWaalsContact O-N 3.17Å; V153-T156 WeakPolarHBondContact O-CB 3.46Å; V153-T156 WeakPolarHBondContact O-CG2 3.33Å; V153-T156 PolarHBondContact O-N 3.47Å; V153-T156 PolarHBondContact O-OG1 2.84Å; V153-V173 HydrophobicContact CG2-CG2 4.19Å; V153-L195 HydrophobicContact CB-CG 4.43Å; V153-L195 HydrophobicContact CG2-CD1 4.02Å; V153-L195 HydrophobicContact CG2-CD2 4.02Å; V153-L195 HydrophobicContact CG2-CG 3.82Å; V153-Q198 HydrophobicContact CG1-CB 3.72Å; V153-I199 HydrophobicContact CG1-CG1 4.05Å; V153-I199 HydrophobicContact CG2-CD1 3.86Å; V153-I199 HydrophobicContact CG2-CG1 3.81Å |
| 154 | S | 97.8 | Very high | 97.6 | Very high | 55 Ų | 55 | 40.4 Ų | 40.4 | 39% | 0.385 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -61.6 | -22.1 | 173.5 | 68 | 0 | 0 | 0 | 0 | 113.5 | E150 N151 F152 T156 Q157 | E150-S154 PolarHBondContact O-N 3.36Å; N151-S154 PolarHBondContact O-OG 2.79Å; F152-S154 VanDerWaalsContact C-N 3.29Å; F152-S154 PolarHBondContact O-N 3.28Å; S154-T156 PolarHBondContact O-N 3.21Å; S154-Q157 WeakPolarHBondContact O-CB 3.49Å; S154-Q157 PolarHBondContact O-N 3.46Å |
| 155 | V | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -60.7 | -23.4 | 173.3 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | F152 V153 Q157 E158 R165 S166 F169 P273 | F152-V155 VanDerWaalsContact O-CB 3.31Å; F152-V155 WeakPolarHBondContact O-CB 3.4Å; F152-V155 WeakPolarHBondContact O-CG2 3.03Å; F152-V155 PolarHBondContact O-N 3.44Å; V153-V155 PolarHBondContact O-N 3.43Å; V153-V155 VanDerWaalsContact O-N 3.17Å; V155-Q157 PolarHBondContact O-N 3.49Å; V155-E158 PolarHBondContact O-N 2.86Å; V155-R165 HydrophobicContact CG1-CG 3.96Å; V155-S166 PolarHBondContact O-OG 3.36Å; V155-F169 HydrophobicContact CB-CB 4.45Å; V155-F169 HydrophobicContact CB-CD2 4.03Å; V155-F169 HydrophobicContact CB-CG 4.31Å; V155-F169 HydrophobicContact CG1-CD2 3.74Å; V155-F169 HydrophobicContact CG1-CE2 4.18Å; V155-F169 HydrophobicContact CG1-CG 4.48Å; V155-F169 HydrophobicContact CG2-CD1 4.42Å; V155-F169 HydrophobicContact CG2-CD2 3.85Å; V155-F169 HydrophobicContact CG2-CE2 4.09Å; V155-F169 HydrophobicContact CG2-CG 4.03Å; V155-F169 HydrophobicContact CG2-CZ 4.48Å; V155-P273 HydrophobicContact CG2-CB 3.86Å; V155-P273 HydrophobicContact CG2-CG 3.68Å |
| 156 | T | 98 | Very high | 97.6 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -68.3 | -12.8 | 173.1 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | V153 S154 V170 Y202 R205 | V153-T156 WeakPolarHBondContact O-CB 3.46Å; V153-T156 WeakPolarHBondContact O-CG2 3.33Å; V153-T156 PolarHBondContact O-N 3.47Å; V153-T156 PolarHBondContact O-OG1 2.84Å; S154-T156 PolarHBondContact O-N 3.21Å; T156-V170 HydrophobicContact CG2-CG2 3.55Å; T156-Y202 HydrophobicContact CG2-CD1 3.93Å; T156-Y202 HydrophobicContact CG2-CD2 3.87Å; T156-Y202 HydrophobicContact CG2-CE1 4.35Å; T156-Y202 HydrophobicContact CG2-CE2 4.31Å; T156-Y202 HydrophobicContact CG2-CG 3.66Å; T156-R205 PolarHBondContact O-NH2 3.21Å |
| 157 | Q | 97.1 | Very high | 97.6 | Very high | 117 Ų | 117 | 40 Ų | 40 | 55% | 0.547 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -105.6 | 0.3 | 178.6 | -51.2 | -57.3 | -46.7 | 0 | 0 | 112.5 | S154 V155 | S154-Q157 WeakPolarHBondContact O-CB 3.49Å; S154-Q157 PolarHBondContact O-N 3.46Å; V155-Q157 PolarHBondContact O-N 3.49Å |
| 158 | E | 96.8 | Very high | 97.7 | Very high | 69 Ų | 69 | 38.5 Ų | 38.5 | 32% | 0.322 | 20% | 0.198 | S | C | . | . | trans | -65.2 | 134.5 | 171.2 | -71.5 | 176 | -169 | 0 | 0 | 109.3 | V155 V161 R165 | V155-E158 PolarHBondContact O-N 2.86Å; E158-V161 HydrophobicContact CB-CG1 3.94Å; E158-V161 HydrophobicContact CB-CG2 3.77Å; E158-R165 IonicContact OE1-NH2 2.82Å; E158-R165 PolarHBondContact OE1-NH2 3.44Å; E158-R165 IonicContact OE2-CZ 2.66Å; E158-R165 VanDerWaalsContact OE2-CZ 3.31Å; E158-R165 IonicContact OE2-NE 2.59Å; E158-R165 PolarHBondContact OE2-NE 2.96Å; E158-R165 IonicContact OE2-NH2 2.63Å; E158-R165 PolarHBondContact OE2-NH2 3.33Å | ||
| 159 | E | 94.7 | Very high | 97.7 | Very high | 171 Ų | 171 | 38.4 Ų | 38.4 | 80% | 0.799 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -85.6 | 152.3 | 174.4 | -64.2 | -178.9 | 175.1 | 0 | 0 | 109.9 | V161 | E159-V161 VanDerWaalsContact C-N 3.26Å; E159-V161 PolarHBondContact O-N 2.88Å |
| 160 | D | 93.4 | Very high | 97.7 | Very high | 165 Ų | 165 | 38.4 Ų | 38.4 | 88% | 0.882 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 55.1 | 33.8 | 175.7 | -56.7 | -38.6 | 0 | 0 | 0 | 115.4 | ||
| 161 | V | 96.6 | Very high | 97.7 | Very high | 34 Ų | 34 | 37.1 Ų | 37.1 | 21% | 0.206 | 19% | 0.191 | C | C | . | . | trans | -112.8 | 150.3 | 173.3 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | E158 E159 H276 | E158-V161 HydrophobicContact CB-CG1 3.94Å; E158-V161 HydrophobicContact CB-CG2 3.77Å; E159-V161 VanDerWaalsContact C-N 3.26Å; E159-V161 PolarHBondContact O-N 2.88Å; V161-H276 HydrophobicContact CG1-CB 3.86Å | ||
| 162 | P | 97.2 | Very high | 97.7 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 14% | 0.143 | 18% | 0.176 | C | C | . | . | trans | -61.5 | 144.9 | 177.2 | -23.9 | 34 | 0 | 0 | 0 | 113.1 | V164 R165 Y282 L796 | P162-V164 HydrophobicContact CB-CG2 3.71Å; P162-V164 PolarHBondContact O-N 3.32Å; P162-R165 VanDerWaalsContact O-CB 3.3Å; P162-R165 WeakPolarHBondContact O-CB 3.49Å; P162-R165 PolarHBondContact O-N 3.5Å; P162-Y282 HydrophobicContact CG-CE2 4.47Å; P162-L796 WeakPolarHBondContact CA-OXT 3.49Å | ||
| 163 | Q | 98.3 | Very high | 97.8 | Very high | 35 Ų | 35 | 34.4 Ų | 34.4 | 16% | 0.164 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.5 | -41.7 | 176.2 | -176.2 | 175.5 | -87.8 | 0 | 0 | 110.9 | R165 S166 D167 Y202 L207 L796 | Q163-R165 PolarHBondContact O-N 2.89Å; Q163-R165 VanDerWaalsContact O-N 3.13Å; Q163-S166 PolarHBondContact O-N 3.43Å; Q163-S166 VanDerWaalsContact O-N 3.14Å; Q163-D167 VanDerWaalsContact O-CB 3.26Å; Q163-D167 WeakPolarHBondContact O-CB 3.3Å; Q163-D167 PolarHBondContact O-N 3.07Å; Q163-Y202 PolarHBondContact O-OH 3.41Å; Q163-L207 PolarHBondContact NE2-O 3.36Å; Q163-L796 WeakPolarHBondContact CB-O 3.42Å; Q163-L796 PolarHBondContact N-O 2.78Å; Q163-L796 PolarHBondContact N-OXT 3.23Å |
| 164 | V | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.1 | -25.1 | 178.3 | -67.9 | 0 | 0 | 0 | 0 | 114.3 | P162 W168 Y282 Q795 | P162-V164 HydrophobicContact CB-CG2 3.71Å; P162-V164 PolarHBondContact O-N 3.32Å; V164-W168 PolarHBondContact O-N 2.97Å; V164-Y282 HydrophobicContact CG2-CD2 3.93Å; V164-Y282 HydrophobicContact CG2-CG 4.22Å; V164-Q795 VanDerWaalsContact CG2-O 3.3Å; V164-Q795 WeakPolarHBondContact CG2-O 3.23Å |
| 165 | R | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.9 | -57 | 173.2 | 177.9 | -176.6 | 168.6 | 74.9 | 2.7 | 110.6 | V155 E158 P162 Q163 D167 W168 F169 P274 Y282 | V155-R165 HydrophobicContact CG1-CG 3.96Å; E158-R165 IonicContact OE1-NH2 2.82Å; E158-R165 PolarHBondContact OE1-NH2 3.44Å; E158-R165 IonicContact OE2-CZ 2.66Å; E158-R165 VanDerWaalsContact OE2-CZ 3.31Å; E158-R165 IonicContact OE2-NE 2.59Å; E158-R165 PolarHBondContact OE2-NE 2.96Å; E158-R165 IonicContact OE2-NH2 2.63Å; E158-R165 PolarHBondContact OE2-NH2 3.33Å; P162-R165 VanDerWaalsContact O-CB 3.3Å; P162-R165 WeakPolarHBondContact O-CB 3.49Å; P162-R165 PolarHBondContact O-N 3.5Å; Q163-R165 PolarHBondContact O-N 2.89Å; Q163-R165 VanDerWaalsContact O-N 3.13Å; R165-D167 VanDerWaalsContact C-N 3.27Å; R165-D167 PolarHBondContact O-N 3.05Å; R165-W168 PolarHBondContact O-N 3.37Å; R165-F169 HydrophobicContact CG-CD2 4.48Å; R165-F169 HydrophobicContact CG-CE2 4.37Å; R165-F169 WeakPolarHBondContact O-CD2 3.32Å; R165-F169 PolarHBondContact O-N 3.09Å; R165-P274 VanDerWaalsContact CZ-O 3.31Å; R165-P274 PolarHBondContact NH1-O 3.26Å; R165-P274 PolarHBondContact NH2-O 3.49Å; R165-Y282 HydrophobicContact CB-CD1 4.12Å; R165-Y282 HydrophobicContact CB-CD2 3.94Å; R165-Y282 HydrophobicContact CB-CE1 3.89Å; R165-Y282 HydrophobicContact CB-CE2 3.68Å; R165-Y282 HydrophobicContact CB-CG 4.16Å; R165-Y282 HydrophobicContact CG-CD1 4.34Å; R165-Y282 HydrophobicContact CG-CE1 3.71Å; R165-Y282 HydrophobicContact CG-CE2 4.14Å; R165-Y282 PolarHBondContact NH1-OH 2.8Å |
| 166 | S | 98.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | -179.5 | -56.1 | 0 | 0 | 0 | 0 | 111 | V155 Q163 W168 F169 V170 Y202 | V155-S166 PolarHBondContact O-OG 3.36Å; Q163-S166 PolarHBondContact O-N 3.43Å; Q163-S166 VanDerWaalsContact O-N 3.14Å; S166-W168 VanDerWaalsContact C-N 3.35Å; S166-W168 PolarHBondContact O-N 2.91Å; S166-F169 PolarHBondContact O-N 3.27Å; S166-V170 WeakPolarHBondContact O-CG2 3.37Å; S166-V170 PolarHBondContact O-N 2.93Å; S166-Y202 VanDerWaalsContact CB-OH 3.26Å; S166-Y202 WeakPolarHBondContact CB-OH 3.47Å |
| 167 | D | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -52.3 | -48.5 | 172.9 | -96.4 | 15.7 | 0 | 0 | 0 | 112.3 | Q163 R165 V170 Y171 Y202 R206 Y228 L229 | Q163-D167 VanDerWaalsContact O-CB 3.26Å; Q163-D167 WeakPolarHBondContact O-CB 3.3Å; Q163-D167 PolarHBondContact O-N 3.07Å; R165-D167 VanDerWaalsContact C-N 3.27Å; R165-D167 PolarHBondContact O-N 3.05Å; D167-V170 PolarHBondContact O-N 3.33Å; D167-Y171 VanDerWaalsContact O-CB 3.29Å; D167-Y171 WeakPolarHBondContact O-CB 3.45Å; D167-Y171 PolarHBondContact O-N 3.08Å; D167-Y202 PolarHBondContact N-OH 2.81Å; D167-Y202 PolarHBondContact OD1-OH 2.73Å; D167-R206 IonicContact OD1-CZ 3.72Å; D167-R206 IonicContact OD1-NE 2.78Å; D167-R206 PolarHBondContact OD1-NE 3.07Å; D167-R206 IonicContact OD1-NH2 3.82Å; D167-R206 PolarHBondContact OD1-NH2 2.94Å; D167-R206 IonicContact OD2-CZ 3.65Å; D167-R206 IonicContact OD2-NE 3.47Å; D167-R206 IonicContact OD2-NH2 3.77Å; D167-R206 PolarHBondContact OD2-NH2 3.42Å; D167-Y228 WeakPolarHBondContact CB-OH 3.49Å; D167-Y228 PolarHBondContact OD2-OH 2.92Å; D167-L229 HydrophobicContact CB-CD1 3.98Å; D167-L229 WeakPolarHBondContact OD1-CD1 3.29Å |
| 168 | W | 98.8 | Very high | 98 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | -178.8 | -177.8 | 78.2 | 0 | 0 | 0 | 112.1 | L116 Y121 A124 V164 R165 S166 Y171 V172 | L116-W168 HydrophobicContact CD2-CH2 3.33Å; L116-W168 HydrophobicContact CD2-CZ2 4.16Å; L116-W168 HydrophobicContact CD2-CZ3 3.55Å; L116-W168 HydrophobicContact CG-CH2 4.43Å; Y121-W168 AromaticContact CD1-CD2 3.65Å; Y121-W168 HydrophobicContact CD1-CD2 3.65Å; Y121-W168 AromaticContact CD1-CE2 3.68Å; Y121-W168 AromaticContact CD1-CE3 3.86Å; Y121-W168 HydrophobicContact CD1-CE3 3.86Å; Y121-W168 HydrophobicContact CD1-CG 4.2Å; Y121-W168 HydrophobicContact CD1-CH2 4.15Å; Y121-W168 AromaticContact CD1-CZ2 3.94Å; Y121-W168 HydrophobicContact CD1-CZ2 3.94Å; Y121-W168 HydrophobicContact CD1-CZ3 4.1Å; Y121-W168 HydrophobicContact CE1-CD2 4.46Å; Y121-W168 HydrophobicContact CE1-CE3 4.3Å; Y121-W168 HydrophobicContact CG-CD2 4.43Å; Y121-W168 WeakPolarHBondContact O-CZ2 3.39Å; Y121-W168 PolarHBondContact O-NE1 2.87Å; A124-W168 HydrophobicContact CB-CH2 3.84Å; A124-W168 HydrophobicContact CB-CZ2 3.74Å; V164-W168 PolarHBondContact O-N 2.97Å; R165-W168 PolarHBondContact O-N 3.37Å; S166-W168 VanDerWaalsContact C-N 3.35Å; S166-W168 PolarHBondContact O-N 2.91Å; W168-Y171 WeakPolarHBondContact O-CB 3.47Å; W168-Y171 PolarHBondContact O-N 2.85Å; W168-V172 HydrophobicContact CD2-CG2 3.88Å; W168-V172 HydrophobicContact CE3-CG2 4.18Å; W168-V172 HydrophobicContact CH2-CG2 3.82Å; W168-V172 HydrophobicContact CZ2-CG2 3.49Å; W168-V172 VanDerWaalsContact CZ2-CG2 3.49Å; W168-V172 HydrophobicContact CZ3-CG2 4.15Å; W168-V172 VanDerWaalsContact O-CG2 3.23Å; W168-V172 WeakPolarHBondContact O-CG2 3.32Å; W168-V172 PolarHBondContact O-N 3.09Å |
| 169 | F | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.1 | -40.5 | 178 | -78.2 | -77.9 | 0 | 0 | 0 | 112.3 | F152 V155 R165 S166 V172 V173 P273 | F152-F169 HydrophobicContact CB-CB 4.27Å; F152-F169 HydrophobicContact CB-CD1 3.92Å; F152-F169 AromaticContact CD1-CD1 3.79Å; F152-F169 HydrophobicContact CD1-CD1 3.79Å; F152-F169 AromaticContact CD1-CE1 3.95Å; F152-F169 HydrophobicContact CD1-CE1 3.95Å; F152-F169 AromaticContact CD2-CD1 3.94Å; F152-F169 HydrophobicContact CD2-CD1 3.94Å; F152-F169 HydrophobicContact CE1-CD1 4.21Å; F152-F169 HydrophobicContact CE1-CE1 4.01Å; F152-F169 HydrophobicContact CE2-CD1 4.34Å; F152-F169 AromaticContact CG-CD1 3.62Å; F152-F169 HydrophobicContact CG-CD1 3.62Å; F152-F169 HydrophobicContact CG-CE1 4.24Å; F152-F169 HydrophobicContact CZ-CD1 4.45Å; F152-F169 HydrophobicContact CZ-CE1 4.35Å; V155-F169 HydrophobicContact CB-CB 4.45Å; V155-F169 HydrophobicContact CB-CD2 4.03Å; V155-F169 HydrophobicContact CB-CG 4.31Å; V155-F169 HydrophobicContact CG1-CD2 3.74Å; V155-F169 HydrophobicContact CG1-CE2 4.18Å; V155-F169 HydrophobicContact CG1-CG 4.48Å; V155-F169 HydrophobicContact CG2-CD1 4.42Å; V155-F169 HydrophobicContact CG2-CD2 3.85Å; V155-F169 HydrophobicContact CG2-CE2 4.09Å; V155-F169 HydrophobicContact CG2-CG 4.03Å; V155-F169 HydrophobicContact CG2-CZ 4.48Å; R165-F169 HydrophobicContact CG-CD2 4.48Å; R165-F169 HydrophobicContact CG-CE2 4.37Å; R165-F169 WeakPolarHBondContact O-CD2 3.32Å; R165-F169 PolarHBondContact O-N 3.09Å; S166-F169 PolarHBondContact O-N 3.27Å; F169-V172 PolarHBondContact O-N 2.95Å; F169-V173 WeakPolarHBondContact O-CG2 3.45Å; F169-V173 PolarHBondContact O-N 3.03Å; F169-V173 VanDerWaalsContact O-N 3.12Å; F169-P273 HydrophobicContact CE1-CB 3.93Å; F169-P273 HydrophobicContact CE1-CG 4.07Å; F169-P273 HydrophobicContact CE2-CB 4.36Å; F169-P273 HydrophobicContact CZ-CB 3.66Å; F169-P273 HydrophobicContact CZ-CG 4.3Å |
| 170 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | T156 S166 D167 V172 V173 L174 I199 Y202 L203 L229 | T156-V170 HydrophobicContact CG2-CG2 3.55Å; S166-V170 WeakPolarHBondContact O-CG2 3.37Å; S166-V170 PolarHBondContact O-N 2.93Å; D167-V170 PolarHBondContact O-N 3.33Å; V170-V172 VanDerWaalsContact C-N 3.34Å; V170-V172 PolarHBondContact O-N 3.46Å; V170-V173 PolarHBondContact O-N 3.08Å; V170-L174 HydrophobicContact CG1-CD1 3.82Å; V170-L174 HydrophobicContact CG1-CG 4.24Å; V170-L174 WeakPolarHBondContact O-CG 3.35Å; V170-L174 PolarHBondContact O-N 3.44Å; V170-I199 HydrophobicContact CG1-CG1 4.42Å; V170-I199 HydrophobicContact CG1-CG2 3.76Å; V170-Y202 HydrophobicContact CB-CE1 4.45Å; V170-Y202 HydrophobicContact CG2-CD1 3.77Å; V170-Y202 HydrophobicContact CG2-CE1 3.9Å; V170-L203 HydrophobicContact CG1-CD2 4.34Å; V170-L229 HydrophobicContact CG1-CD2 4.03Å |
| 171 | Y | 98.9 | Very high | 98.5 | Very high | 22 Ų | 22 | 7.3 Ų | 7.3 | 9% | 0.086 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 176.2 | 179 | -100.6 | 0 | 0 | 0 | 112.2 | L125 D167 W168 V173 S175 Y228 L229 L232 F312 | L125-Y171 HydrophobicContact CD1-CD1 4.34Å; L125-Y171 HydrophobicContact CD1-CE1 4.19Å; L125-Y171 HydrophobicContact CD2-CD1 4.42Å; L125-Y171 HydrophobicContact CD2-CE1 3.68Å; D167-Y171 VanDerWaalsContact O-CB 3.29Å; D167-Y171 WeakPolarHBondContact O-CB 3.45Å; D167-Y171 PolarHBondContact O-N 3.08Å; W168-Y171 WeakPolarHBondContact O-CB 3.47Å; W168-Y171 PolarHBondContact O-N 2.85Å; Y171-V173 VanDerWaalsContact C-N 3.34Å; Y171-V173 PolarHBondContact O-N 3.32Å; Y171-S175 WeakPolarHBondContact O-CB 3.35Å; Y171-S175 PolarHBondContact O-N 3.17Å; Y171-S175 PolarHBondContact O-OG 3.27Å; Y171-Y228 AromaticContact CD2-CD2 3.59Å; Y171-Y228 HydrophobicContact CD2-CD2 3.59Å; Y171-Y228 AromaticContact CD2-CE2 3.49Å; Y171-Y228 HydrophobicContact CD2-CE2 3.49Å; Y171-Y228 VanDerWaalsContact CD2-CE2 3.49Å; Y171-Y228 AromaticContact CE2-CD2 3.84Å; Y171-Y228 HydrophobicContact CE2-CD2 3.84Å; Y171-Y228 HydrophobicContact CE2-CE2 4.15Å; Y171-Y228 HydrophobicContact CG-CD2 4.41Å; Y171-Y228 AromaticContact CG-CE2 3.88Å; Y171-Y228 HydrophobicContact CG-CE2 3.88Å; Y171-L229 HydrophobicContact CD2-CD2 4.22Å; Y171-L232 HydrophobicContact CD2-CD2 3.57Å; Y171-L232 HydrophobicContact CE2-CD2 3.71Å; Y171-F312 HydrophobicContact CE2-CE2 4.42Å |
| 172 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 177.7 | 169.5 | 0 | 0 | 0 | 0 | 111 | L125 V128 F152 W168 F169 V170 S176 | L125-V172 HydrophobicContact CB-CG2 4.39Å; L125-V172 HydrophobicContact CD1-CB 4.25Å; L125-V172 HydrophobicContact CD1-CG1 4.4Å; L125-V172 HydrophobicContact CD1-CG2 3.81Å; V128-V172 HydrophobicContact CB-CG1 3.75Å; V128-V172 HydrophobicContact CG1-CG1 3.5Å; V128-V172 HydrophobicContact CG2-CG1 3.97Å; F152-V172 HydrophobicContact CD2-CB 4.49Å; F152-V172 HydrophobicContact CD2-CG1 3.96Å; F152-V172 HydrophobicContact CE2-CB 4.49Å; F152-V172 HydrophobicContact CE2-CG1 3.62Å; W168-V172 HydrophobicContact CD2-CG2 3.88Å; W168-V172 HydrophobicContact CE3-CG2 4.18Å; W168-V172 HydrophobicContact CH2-CG2 3.82Å; W168-V172 HydrophobicContact CZ2-CG2 3.49Å; W168-V172 VanDerWaalsContact CZ2-CG2 3.49Å; W168-V172 HydrophobicContact CZ3-CG2 4.15Å; W168-V172 VanDerWaalsContact O-CG2 3.23Å; W168-V172 WeakPolarHBondContact O-CG2 3.32Å; W168-V172 PolarHBondContact O-N 3.09Å; F169-V172 PolarHBondContact O-N 2.95Å; V170-V172 VanDerWaalsContact C-N 3.34Å; V170-V172 PolarHBondContact O-N 3.46Å; V172-S176 WeakPolarHBondContact O-CB 3.48Å; V172-S176 PolarHBondContact O-N 2.97Å; V172-S176 PolarHBondContact O-OG 3.39Å |
| 173 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.1 | -57.6 | 177.1 | 178 | 0 | 0 | 0 | 0 | 110.4 | F149 F152 V153 F169 V170 Y171 S175 S176 L177 L195 I199 | F149-V173 HydrophobicContact CB-CG1 4.32Å; F149-V173 HydrophobicContact CB-CG2 4.2Å; F149-V173 HydrophobicContact CD1-CB 4.45Å; F149-V173 HydrophobicContact CD1-CG1 4.31Å; F149-V173 HydrophobicContact CD1-CG2 3.77Å; F149-V173 HydrophobicContact CD2-CG1 3.99Å; F149-V173 HydrophobicContact CE1-CG2 4.27Å; F149-V173 HydrophobicContact CE2-CG1 4.25Å; F149-V173 HydrophobicContact CG-CG1 4Å; F149-V173 HydrophobicContact CG-CG2 4.07Å; F152-V173 HydrophobicContact CB-CG2 3.78Å; F152-V173 HydrophobicContact CD2-CG2 3.99Å; F152-V173 HydrophobicContact CG-CG2 4.39Å; V153-V173 HydrophobicContact CG2-CG2 4.19Å; F169-V173 WeakPolarHBondContact O-CG2 3.45Å; F169-V173 PolarHBondContact O-N 3.03Å; F169-V173 VanDerWaalsContact O-N 3.12Å; V170-V173 PolarHBondContact O-N 3.08Å; Y171-V173 VanDerWaalsContact C-N 3.34Å; Y171-V173 PolarHBondContact O-N 3.32Å; V173-S175 VanDerWaalsContact C-N 3.34Å; V173-S175 PolarHBondContact O-N 3.15Å; V173-S176 PolarHBondContact O-N 3.3Å; V173-S176 VanDerWaalsContact O-N 3.09Å; V173-L177 WeakPolarHBondContact O-CG 3.08Å; V173-L177 PolarHBondContact O-N 3.35Å; V173-L195 HydrophobicContact CG1-CD2 3.89Å; V173-I199 HydrophobicContact CG1-CD1 4.15Å |
| 174 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | -176 | -69.6 | 178.9 | 0 | 0 | 0 | 112.2 | V170 S176 L177 L196 I199 L229 L232 W233 I236 | V170-L174 HydrophobicContact CG1-CD1 3.82Å; V170-L174 HydrophobicContact CG1-CG 4.24Å; V170-L174 WeakPolarHBondContact O-CG 3.35Å; V170-L174 PolarHBondContact O-N 3.44Å; L174-S176 PolarHBondContact O-N 3.47Å; L174-L177 HydrophobicContact CD2-CD1 4.18Å; L174-L177 WeakPolarHBondContact O-CB 3.19Å; L174-L177 PolarHBondContact O-N 3.18Å; L174-L196 HydrophobicContact CD2-CD2 4.47Å; L174-I199 HydrophobicContact CD1-CG2 4.15Å; L174-I199 HydrophobicContact CD2-CD1 4.01Å; L174-I199 HydrophobicContact CD2-CG2 4.24Å; L174-I199 HydrophobicContact CG-CD1 4.29Å; L174-I199 HydrophobicContact CG-CG2 4.42Å; L174-L229 HydrophobicContact CD1-CD2 4.13Å; L174-L232 HydrophobicContact CB-CD2 3.59Å; L174-L232 HydrophobicContact CB-CG 3.92Å; L174-L232 HydrophobicContact CD1-CD2 4.46Å; L174-L232 HydrophobicContact CD1-CG 4.5Å; L174-W233 HydrophobicContact CD1-CE3 4.3Å; L174-W233 HydrophobicContact CD2-CE3 3.81Å; L174-W233 HydrophobicContact CD2-CZ3 3.99Å; L174-I236 HydrophobicContact CB-CG1 4.24Å; L174-I236 HydrophobicContact CD2-CB 4.42Å; L174-I236 HydrophobicContact CD2-CG1 4.16Å; L174-I236 HydrophobicContact CD2-CG2 4.25Å; L174-I236 WeakPolarHBondContact O-CD1 3.45Å |
| 175 | S | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -74.3 | -8.6 | -177.8 | 70.2 | 0 | 0 | 0 | 0 | 113.8 | L125 R129 Y171 V173 P178 W179 | L125-S175 WeakPolarHBondContact CD1-OG 3.3Å; R129-S175 PolarHBondContact NE-O 3.18Å; R129-S175 PolarHBondContact NH2-OG 3.27Å; Y171-S175 WeakPolarHBondContact O-CB 3.35Å; Y171-S175 PolarHBondContact O-N 3.17Å; Y171-S175 PolarHBondContact O-OG 3.27Å; V173-S175 VanDerWaalsContact C-N 3.34Å; V173-S175 PolarHBondContact O-N 3.15Å; S175-P178 WeakPolarHBondContact O-CD 3.43Å; S175-W179 WeakPolarHBondContact O-CZ3 3.47Å |
| 176 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -89.5 | -20.1 | 173.2 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | C132 V172 V173 L174 W179 V180 | C132-S176 VanDerWaalsContact SG-CB 3.56Å; V172-S176 WeakPolarHBondContact O-CB 3.48Å; V172-S176 PolarHBondContact O-N 2.97Å; V172-S176 PolarHBondContact O-OG 3.39Å; V173-S176 PolarHBondContact O-N 3.3Å; V173-S176 VanDerWaalsContact O-N 3.09Å; L174-S176 PolarHBondContact O-N 3.47Å; S176-W179 PolarHBondContact O-N 3.45Å; S176-W179 VanDerWaalsContact O-N 3.1Å; S176-V180 PolarHBondContact O-N 3.24Å |
| 177 | L | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.6 | -28.9 | -177.6 | -61.8 | 177 | 0 | 0 | 0 | 115.7 | F149 V173 L174 W179 G181 M192 L196 I236 W244 | F149-L177 HydrophobicContact CE2-CD2 4.26Å; V173-L177 WeakPolarHBondContact O-CG 3.08Å; V173-L177 PolarHBondContact O-N 3.35Å; L174-L177 HydrophobicContact CD2-CD1 4.18Å; L174-L177 WeakPolarHBondContact O-CB 3.19Å; L174-L177 PolarHBondContact O-N 3.18Å; L177-W179 PolarHBondContact O-N 2.76Å; L177-G181 VanDerWaalsContact O-CA 3.27Å; L177-G181 WeakPolarHBondContact O-CA 3.28Å; L177-G181 PolarHBondContact O-N 3.31Å; L177-M192 HydrophobicContact CD2-CE 3.74Å; L177-L196 HydrophobicContact CD1-CD2 4.13Å; L177-I236 HydrophobicContact CB-CD1 3.96Å; L177-I236 HydrophobicContact CD1-CD1 4.46Å; L177-I236 HydrophobicContact CD1-CG1 4.34Å; L177-I236 HydrophobicContact CD1-CG2 3.59Å; L177-W244 HydrophobicContact CB-CZ3 3.98Å; L177-W244 HydrophobicContact CD1-CH2 4.17Å; L177-W244 HydrophobicContact CD1-CZ3 4.14Å; L177-W244 HydrophobicContact CG-CZ3 4.44Å |
| 178 | P | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.019 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.8 | -29.7 | 172 | -25.6 | 35.4 | 0 | 0 | 0 | 112.8 | S175 I236 I249 R251 V309 F312 V313 | S175-P178 WeakPolarHBondContact O-CD 3.43Å; P178-I236 HydrophobicContact CG-CD1 4.23Å; P178-I249 HydrophobicContact CB-CD1 3.97Å; P178-I249 VanDerWaalsContact O-CD1 3.25Å; P178-I249 WeakPolarHBondContact O-CD1 3.35Å; P178-R251 PolarHBondContact O-NH2 2.98Å; P178-V309 HydrophobicContact CB-CB 4.43Å; P178-V309 HydrophobicContact CG-CB 4.24Å; P178-V309 HydrophobicContact CG-CG1 4.21Å; P178-F312 HydrophobicContact CG-CD1 4.37Å; P178-V313 HydrophobicContact CB-CG2 3.91Å; P178-V313 HydrophobicContact CG-CG2 4.36Å |
| 179 | W | 98.6 | Very high | 98.5 | Very high | 11 Ų | 11 | 29 Ų | 29 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -86.7 | -49.5 | 178.5 | -71.3 | -94.5 | 0 | 0 | 0 | 112.5 | L83 D133 N136 S175 S176 L177 I249 R251 F312 V313 | L83-W179 HydrophobicContact CD2-CD2 4.35Å; L83-W179 HydrophobicContact CD2-CG 4.27Å; D133-W179 HydrophobicContact CB-CB 4.29Å; N136-W179 PolarHBondContact ND2-O 2.84Å; S175-W179 WeakPolarHBondContact O-CZ3 3.47Å; S176-W179 PolarHBondContact O-N 3.45Å; S176-W179 VanDerWaalsContact O-N 3.1Å; L177-W179 PolarHBondContact O-N 2.76Å; W179-I249 HydrophobicContact CD2-CD1 4.09Å; W179-I249 HydrophobicContact CG-CD1 4.19Å; W179-R251 PolarHBondContact O-NH1 3.45Å; W179-F312 HydrophobicContact CZ3-CE1 4.32Å; W179-V313 HydrophobicContact CH2-CG1 4.3Å; W179-V313 HydrophobicContact CH2-CG2 3.84Å; W179-V313 HydrophobicContact CZ2-CG1 4.09Å; W179-V313 HydrophobicContact CZ2-CG2 4.28Å; W179-V313 HydrophobicContact CZ3-CG2 4.19Å |
| 180 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -112.9 | -10.3 | -167.9 | 77.4 | 0 | 0 | 0 | 0 | 114.6 | C132 V135 F149 S176 K182 E183 L184 | C132-V180 HydrophobicContact CB-CB 3.92Å; C132-V180 HydrophobicContact CB-CG1 3.74Å; C132-V180 HydrophobicContact CB-CG2 4.45Å; C132-V180 WeakPolarHBondContact O-CG2 3.3Å; V135-V180 HydrophobicContact CB-CG2 3.79Å; V135-V180 HydrophobicContact CG1-CG2 4.25Å; V135-V180 HydrophobicContact CG2-CG2 4.08Å; F149-V180 HydrophobicContact CE2-CG1 4.32Å; F149-V180 HydrophobicContact CZ-CG1 4.47Å; S176-V180 PolarHBondContact O-N 3.24Å; V180-K182 VanDerWaalsContact C-N 3.25Å; V180-K182 PolarHBondContact O-N 3.32Å; V180-K182 VanDerWaalsContact O-N 3.12Å; V180-E183 PolarHBondContact O-N 2.66Å; V180-E183 VanDerWaalsContact O-N 3.08Å; V180-L184 HydrophobicContact CB-CG 4.43Å; V180-L184 HydrophobicContact CG1-CD1 3.71Å; V180-L184 HydrophobicContact CG1-CG 3.99Å; V180-L184 HydrophobicContact CG2-CD1 4.37Å; V180-L184 HydrophobicContact CG2-CD2 3.94Å; V180-L184 HydrophobicContact CG2-CG 3.84Å; V180-L184 PolarHBondContact O-N 3.17Å; V180-L184 VanDerWaalsContact O-N 3.08Å |
| 181 | G | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.2 | -36.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L177 Y185 | L177-G181 VanDerWaalsContact O-CA 3.27Å; L177-G181 WeakPolarHBondContact O-CA 3.28Å; L177-G181 PolarHBondContact O-N 3.31Å; G181-Y185 VanDerWaalsContact O-CB 3.22Å; G181-Y185 WeakPolarHBondContact O-CB 3.44Å; G181-Y185 PolarHBondContact O-N 3.41Å |
| 182 | K | 98.6 | Very high | 98.4 | Very high | 86 Ų | 86 | 35.3 Ų | 35.3 | 37% | 0.374 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.5 | -55.4 | 174.8 | -173.4 | -173.5 | 174.3 | -171.9 | 0 | 112 | V180 L184 Y185 E186 W244 | V180-K182 VanDerWaalsContact C-N 3.25Å; V180-K182 PolarHBondContact O-N 3.32Å; V180-K182 VanDerWaalsContact O-N 3.12Å; K182-L184 PolarHBondContact O-N 3.39Å; K182-Y185 PolarHBondContact O-N 3.18Å; K182-E186 WeakPolarHBondContact CE-OE1 3.38Å; K182-E186 HydrophobicContact CG-CG 4.49Å; K182-E186 IonicContact NZ-OE1 3.01Å; K182-E186 WeakPolarHBondContact O-CB 3.4Å; K182-E186 WeakPolarHBondContact O-CG 3.34Å; K182-E186 PolarHBondContact O-N 3.09Å; K182-W244 HydrophobicContact CB-CB 3.64Å; K182-W244 HydrophobicContact CB-CG 4.49Å; K182-W244 HydrophobicContact CG-CB 4.1Å |
| 183 | E | 98.4 | Very high | 98.4 | Very high | 36 Ų | 36 | 37.3 Ų | 37.3 | 17% | 0.168 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.9 | -41.3 | -175.8 | -174.5 | 59.4 | -150.9 | 0 | 0 | 111.4 | V135 V180 E186 K187 | V135-E183 HydrophobicContact CG1-CG 3.74Å; V180-E183 PolarHBondContact O-N 2.66Å; V180-E183 VanDerWaalsContact O-N 3.08Å; E183-E186 PolarHBondContact O-N 3.42Å; E183-K187 VanDerWaalsContact O-CG 3.31Å; E183-K187 WeakPolarHBondContact O-CG 3.39Å; E183-K187 PolarHBondContact O-N 3.15Å; E183-K187 WeakPolarHBondContact OE1-CE 3.18Å; E183-K187 IonicContact OE1-NZ 3.78Å |
| 184 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 176.3 | -58.4 | -170.5 | 0 | 0 | 0 | 111.7 | V135 A142 M145 V146 F149 V180 K182 K187 K188 M192 | V135-L184 HydrophobicContact CG1-CD2 4.44Å; A142-L184 HydrophobicContact CB-CD2 3.87Å; M145-L184 HydrophobicContact CB-CD2 4.07Å; V146-L184 HydrophobicContact CG2-CB 4.26Å; V146-L184 HydrophobicContact CG2-CD1 4.32Å; V146-L184 HydrophobicContact CG2-CD2 4.15Å; V146-L184 HydrophobicContact CG2-CG 4.46Å; F149-L184 HydrophobicContact CD2-CD1 3.77Å; F149-L184 HydrophobicContact CE2-CD1 3.47Å; F149-L184 VanDerWaalsContact CE2-CD1 3.47Å; V180-L184 HydrophobicContact CB-CG 4.43Å; V180-L184 HydrophobicContact CG1-CD1 3.71Å; V180-L184 HydrophobicContact CG1-CG 3.99Å; V180-L184 HydrophobicContact CG2-CD1 4.37Å; V180-L184 HydrophobicContact CG2-CD2 3.94Å; V180-L184 HydrophobicContact CG2-CG 3.84Å; V180-L184 PolarHBondContact O-N 3.17Å; V180-L184 VanDerWaalsContact O-N 3.08Å; K182-L184 PolarHBondContact O-N 3.39Å; L184-K187 PolarHBondContact O-N 2.82Å; L184-K188 CarbonylContact O-C 3.22Å; L184-K188 WeakPolarHBondContact O-CA 3.17Å; L184-K188 WeakPolarHBondContact O-CB 3.18Å; L184-K188 PolarHBondContact O-N 3.47Å; L184-M192 HydrophobicContact CB-CE 4.25Å; L184-M192 HydrophobicContact CB-CG 4.12Å; L184-M192 HydrophobicContact CB-SD 3.86Å; L184-M192 HydrophobicContact CD1-CE 4.39Å; L184-M192 HydrophobicContact CD1-SD 4.09Å |
| 185 | Y | 98.4 | Very high | 98.4 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 22% | 0.22 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.5 | -35.7 | -179.4 | -159.1 | -99.2 | 0 | 0 | 0 | 112.1 | G181 K182 K187 D189 M192 D193 W244 | G181-Y185 VanDerWaalsContact O-CB 3.22Å; G181-Y185 WeakPolarHBondContact O-CB 3.44Å; G181-Y185 PolarHBondContact O-N 3.41Å; K182-Y185 PolarHBondContact O-N 3.18Å; Y185-K187 VanDerWaalsContact C-N 3.32Å; Y185-K187 PolarHBondContact O-N 3.43Å; Y185-D189 HydrophobicContact CD1-CB 4.33Å; Y185-D189 HydrophobicContact CE1-CB 4.16Å; Y185-D189 HydrophobicContact CE2-CB 4.31Å; Y185-D189 WeakPolarHBondContact O-CA 3.37Å; Y185-D189 VanDerWaalsContact O-CB 3.31Å; Y185-D189 WeakPolarHBondContact O-CB 3.24Å; Y185-D189 PolarHBondContact O-N 2.87Å; Y185-M192 HydrophobicContact CD2-CB 3.74Å; Y185-M192 HydrophobicContact CD2-CG 4.45Å; Y185-M192 HydrophobicContact CE2-CB 4.26Å; Y185-D193 WeakPolarHBondContact CE2-OD1 3.43Å; Y185-D193 PolarHBondContact OH-OD1 3.41Å; Y185-D193 PolarHBondContact OH-OD2 2.98Å; Y185-W244 AromaticContact CD1-CD1 3.92Å; Y185-W244 AromaticContact CD1-NE1 3.28Å; Y185-W244 VanDerWaalsContact CD1-NE1 3.28Å; Y185-W244 AromaticContact CD2-CE2 3.99Å; Y185-W244 AromaticContact CD2-CZ2 3.75Å; Y185-W244 HydrophobicContact CD2-CZ2 3.75Å; Y185-W244 AromaticContact CD2-NE1 3.7Å; Y185-W244 AromaticContact CE1-NE1 3.94Å; Y185-W244 HydrophobicContact CE2-CZ2 4.39Å; Y185-W244 AromaticContact CG-CE2 3.77Å; Y185-W244 HydrophobicContact CG-CZ2 4.03Å; Y185-W244 AromaticContact CG-NE1 3.13Å |
| 186 | E | 97.9 | Very high | 98.3 | Very high | 122 Ų | 122 | 43.5 Ų | 43.5 | 57% | 0.57 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -67.2 | -30.9 | 176.3 | -75.8 | -180 | 178.7 | 0 | 0 | 112.9 | K182 E183 | K182-E186 WeakPolarHBondContact CE-OE1 3.38Å; K182-E186 HydrophobicContact CG-CG 4.49Å; K182-E186 IonicContact NZ-OE1 3.01Å; K182-E186 WeakPolarHBondContact O-CB 3.4Å; K182-E186 WeakPolarHBondContact O-CG 3.34Å; K182-E186 PolarHBondContact O-N 3.09Å; E183-E186 PolarHBondContact O-N 3.42Å |
| 187 | K | 97.4 | Very high | 98.3 | Very high | 131 Ų | 131 | 48.6 Ų | 48.6 | 57% | 0.57 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -92.1 | -29.9 | 179.8 | -61 | -64.9 | -179.3 | -175.9 | 0 | 114 | A142 E183 L184 Y185 | A142-K187 HydrophobicContact CB-CB 4.2Å; A142-K187 HydrophobicContact CB-CG 4.11Å; E183-K187 VanDerWaalsContact O-CG 3.31Å; E183-K187 WeakPolarHBondContact O-CG 3.39Å; E183-K187 PolarHBondContact O-N 3.15Å; E183-K187 WeakPolarHBondContact OE1-CE 3.18Å; E183-K187 IonicContact OE1-NZ 3.78Å; L184-K187 PolarHBondContact O-N 2.82Å; Y185-K187 VanDerWaalsContact C-N 3.32Å; Y185-K187 PolarHBondContact O-N 3.43Å |
| 188 | K | 98 | Very high | 98.3 | Very high | 59 Ų | 59 | 52.2 Ų | 52.2 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -146.7 | 49 | -164.2 | -68.7 | -61.1 | -165.9 | 168.6 | 0 | 111.9 | V146 L184 V190 E191 M192 | V146-K188 HydrophobicContact CG2-CB 3.93Å; V146-K188 HydrophobicContact CG2-CG 4.13Å; L184-K188 CarbonylContact O-C 3.22Å; L184-K188 WeakPolarHBondContact O-CA 3.17Å; L184-K188 WeakPolarHBondContact O-CB 3.18Å; L184-K188 PolarHBondContact O-N 3.47Å; K188-V190 PolarHBondContact O-N 2.97Å; K188-E191 WeakPolarHBondContact CD-OE1 3.38Å; K188-E191 IonicContact NZ-OE1 3.91Å; K188-E191 PolarHBondContact NZ-OE1 3.47Å; K188-E191 PolarHBondContact O-N 2.9Å; K188-M192 WeakPolarHBondContact O-CB 3.41Å; K188-M192 WeakPolarHBondContact O-CG 3.32Å; K188-M192 PolarHBondContact O-N 2.91Å |
| 189 | D | 97.6 | Very high | 98.3 | Very high | 81 Ų | 81 | 52.1 Ų | 52.1 | 43% | 0.433 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.5 | -46 | -177.6 | 62.8 | -30 | 0 | 0 | 0 | 113.2 | Y185 M192 D193 | Y185-D189 HydrophobicContact CD1-CB 4.33Å; Y185-D189 HydrophobicContact CE1-CB 4.16Å; Y185-D189 HydrophobicContact CE2-CB 4.31Å; Y185-D189 WeakPolarHBondContact O-CA 3.37Å; Y185-D189 VanDerWaalsContact O-CB 3.31Å; Y185-D189 WeakPolarHBondContact O-CB 3.24Å; Y185-D189 PolarHBondContact O-N 2.87Å; D189-M192 PolarHBondContact O-N 2.99Å; D189-D193 WeakPolarHBondContact O-CB 3.25Å; D189-D193 PolarHBondContact O-N 3.37Å |
| 190 | V | 98.3 | Very high | 98.3 | Very high | 101 Ų | 101 | 53.4 Ų | 53.4 | 61% | 0.612 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62 | -48.3 | -179.1 | 178 | 0 | 0 | 0 | 0 | 111.6 | K188 D193 R194 | K188-V190 PolarHBondContact O-N 2.97Å; V190-D193 PolarHBondContact O-N 3.36Å; V190-R194 PolarHBondContact O-N 3.22Å |
| 191 | E | 98.3 | Very high | 98.3 | Very high | 54 Ų | 54 | 55.3 Ų | 55.3 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 178.2 | -64.3 | 95 | 144.1 | 0 | 0 | 111.6 | V146 K188 R194 L195 | V146-E191 HydrophobicContact CG1-CB 3.82Å; K188-E191 WeakPolarHBondContact CD-OE1 3.38Å; K188-E191 IonicContact NZ-OE1 3.91Å; K188-E191 PolarHBondContact NZ-OE1 3.47Å; K188-E191 PolarHBondContact O-N 2.9Å; E191-R194 WeakPolarHBondContact O-CB 3.44Å; E191-R194 PolarHBondContact O-N 2.94Å; E191-L195 WeakPolarHBondContact O-CB 3.32Å; E191-L195 PolarHBondContact O-N 3.08Å |
| 192 | M | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 175.7 | -73.4 | -61.5 | -62.7 | 0 | 0 | 112.6 | V146 L177 L184 Y185 K188 D189 L195 L196 | V146-M192 HydrophobicContact CG2-SD 4.1Å; L177-M192 HydrophobicContact CD2-CE 3.74Å; L184-M192 HydrophobicContact CB-CE 4.25Å; L184-M192 HydrophobicContact CB-CG 4.12Å; L184-M192 HydrophobicContact CB-SD 3.86Å; L184-M192 HydrophobicContact CD1-CE 4.39Å; L184-M192 HydrophobicContact CD1-SD 4.09Å; Y185-M192 HydrophobicContact CD2-CB 3.74Å; Y185-M192 HydrophobicContact CD2-CG 4.45Å; Y185-M192 HydrophobicContact CE2-CB 4.26Å; K188-M192 WeakPolarHBondContact O-CB 3.41Å; K188-M192 WeakPolarHBondContact O-CG 3.32Å; K188-M192 PolarHBondContact O-N 2.91Å; D189-M192 PolarHBondContact O-N 2.99Å; M192-L195 PolarHBondContact O-N 3.11Å; M192-L196 WeakPolarHBondContact O-CB 3.23Å; M192-L196 VanDerWaalsContact O-CG 3.29Å; M192-L196 WeakPolarHBondContact O-CG 3.48Å; M192-L196 PolarHBondContact O-N 3.02Å |
| 193 | D | 98.4 | Very high | 98.3 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 175.7 | -84.3 | -28.2 | 0 | 0 | 0 | 111.8 | Y185 D189 V190 L195 L196 N197 K240 | Y185-D193 WeakPolarHBondContact CE2-OD1 3.43Å; Y185-D193 PolarHBondContact OH-OD1 3.41Å; Y185-D193 PolarHBondContact OH-OD2 2.98Å; D189-D193 WeakPolarHBondContact O-CB 3.25Å; D189-D193 PolarHBondContact O-N 3.37Å; V190-D193 PolarHBondContact O-N 3.36Å; D193-L195 VanDerWaalsContact C-N 3.32Å; D193-L195 PolarHBondContact O-N 3.2Å; D193-L196 PolarHBondContact O-N 3.3Å; D193-N197 WeakPolarHBondContact O-CB 3.14Å; D193-N197 PolarHBondContact O-N 3.32Å; D193-N197 PolarHBondContact O-ND2 2.96Å; D193-K240 WeakPolarHBondContact OD1-CE 3.28Å; D193-K240 IonicContact OD1-NZ 3.62Å; D193-K240 PolarHBondContact OD1-NZ 2.94Å |
| 194 | R | 98.3 | Very high | 98.3 | Very high | 127 Ų | 127 | 58 Ų | 58 | 48% | 0.479 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 172.1 | -179.3 | 178.3 | 69.6 | 159.8 | -0 | 111.1 | E150 V190 E191 N197 Q198 | E150-R194 IonicContact OE1-CZ 3.93Å; E150-R194 IonicContact OE1-NH2 2.79Å; E150-R194 PolarHBondContact OE1-NH2 3.25Å; E150-R194 IonicContact OE2-NH2 3.58Å; E150-R194 PolarHBondContact OE2-NH2 3.36Å; V190-R194 PolarHBondContact O-N 3.22Å; E191-R194 WeakPolarHBondContact O-CB 3.44Å; E191-R194 PolarHBondContact O-N 2.94Å; R194-N197 PolarHBondContact O-N 3.24Å; R194-Q198 WeakPolarHBondContact O-CG 3.5Å; R194-Q198 PolarHBondContact O-N 2.83Å; R194-Q198 VanDerWaalsContact O-N 3.08Å |
| 195 | L | 98.2 | Very high | 98.2 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -48 | 179.6 | -176 | 147 | 0 | 0 | 0 | 111.9 | F149 E150 V153 V173 E191 M192 D193 N197 Q198 I199 | F149-L195 HydrophobicContact CB-CD1 3.53Å; E150-L195 HydrophobicContact CG-CD1 4.27Å; V153-L195 HydrophobicContact CB-CG 4.43Å; V153-L195 HydrophobicContact CG2-CD1 4.02Å; V153-L195 HydrophobicContact CG2-CD2 4.02Å; V153-L195 HydrophobicContact CG2-CG 3.82Å; V173-L195 HydrophobicContact CG1-CD2 3.89Å; E191-L195 WeakPolarHBondContact O-CB 3.32Å; E191-L195 PolarHBondContact O-N 3.08Å; M192-L195 PolarHBondContact O-N 3.11Å; D193-L195 VanDerWaalsContact C-N 3.32Å; D193-L195 PolarHBondContact O-N 3.2Å; L195-N197 VanDerWaalsContact C-N 3.3Å; L195-N197 PolarHBondContact O-N 3.41Å; L195-Q198 WeakPolarHBondContact O-CB 3.29Å; L195-Q198 PolarHBondContact O-N 3.47Å; L195-I199 HydrophobicContact CD2-CD1 3.57Å; L195-I199 HydrophobicContact CD2-CG1 4.35Å; L195-I199 PolarHBondContact O-N 3.26Å |
| 196 | L | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -35.4 | 179.1 | -69.6 | 172.7 | 0 | 0 | 0 | 111.9 | L174 L177 M192 D193 I199 D200 W233 I236 K240 W244 | L174-L196 HydrophobicContact CD2-CD2 4.47Å; L177-L196 HydrophobicContact CD1-CD2 4.13Å; M192-L196 WeakPolarHBondContact O-CB 3.23Å; M192-L196 VanDerWaalsContact O-CG 3.29Å; M192-L196 WeakPolarHBondContact O-CG 3.48Å; M192-L196 PolarHBondContact O-N 3.02Å; D193-L196 PolarHBondContact O-N 3.3Å; L196-I199 PolarHBondContact O-N 3.48Å; L196-D200 PolarHBondContact O-N 3.35Å; L196-W233 HydrophobicContact CB-CH2 4.24Å; L196-W233 HydrophobicContact CD2-CH2 4.38Å; L196-W233 HydrophobicContact CD2-CZ3 3.92Å; L196-W233 WeakPolarHBondContact O-CH2 3.38Å; L196-I236 HydrophobicContact CD2-CG2 4.5Å; L196-K240 HydrophobicContact CD1-CD 4.01Å; L196-W244 HydrophobicContact CD1-CH2 4.23Å; L196-W244 HydrophobicContact CD1-CZ2 4.27Å |
| 197 | N | 98.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 62.1 Ų | 62.1 | 57% | 0.572 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.4 | -36.8 | 174.8 | -71.7 | -29.5 | 0 | 0 | 0 | 112.5 | D193 R194 L195 D200 G201 | D193-N197 WeakPolarHBondContact O-CB 3.14Å; D193-N197 PolarHBondContact O-N 3.32Å; D193-N197 PolarHBondContact O-ND2 2.96Å; R194-N197 PolarHBondContact O-N 3.24Å; L195-N197 VanDerWaalsContact C-N 3.3Å; L195-N197 PolarHBondContact O-N 3.41Å; N197-D200 PolarHBondContact O-N 3.39Å; N197-G201 PolarHBondContact O-N 3.48Å |
| 198 | Q | 98.4 | Very high | 98.2 | Very high | 78 Ų | 78 | 59.2 Ų | 59.2 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 173.2 | -72.4 | 176.6 | -3.9 | 0 | 0 | 111.4 | V153 R194 L195 G201 Y202 | V153-Q198 HydrophobicContact CG1-CB 3.72Å; R194-Q198 WeakPolarHBondContact O-CG 3.5Å; R194-Q198 PolarHBondContact O-N 2.83Å; R194-Q198 VanDerWaalsContact O-N 3.08Å; L195-Q198 WeakPolarHBondContact O-CB 3.29Å; L195-Q198 PolarHBondContact O-N 3.47Å; Q198-G201 PolarHBondContact O-N 3.31Å; Q198-Y202 PolarHBondContact O-N 2.72Å |
| 199 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 174.1 | -68.4 | 175.5 | 0 | 0 | 0 | 110.6 | V153 V170 V173 L174 L195 L196 G201 Y202 L203 W233 | V153-I199 HydrophobicContact CG1-CG1 4.05Å; V153-I199 HydrophobicContact CG2-CD1 3.86Å; V153-I199 HydrophobicContact CG2-CG1 3.81Å; V170-I199 HydrophobicContact CG1-CG1 4.42Å; V170-I199 HydrophobicContact CG1-CG2 3.76Å; V173-I199 HydrophobicContact CG1-CD1 4.15Å; L174-I199 HydrophobicContact CD1-CG2 4.15Å; L174-I199 HydrophobicContact CD2-CD1 4.01Å; L174-I199 HydrophobicContact CD2-CG2 4.24Å; L174-I199 HydrophobicContact CG-CD1 4.29Å; L174-I199 HydrophobicContact CG-CG2 4.42Å; L195-I199 HydrophobicContact CD2-CD1 3.57Å; L195-I199 HydrophobicContact CD2-CG1 4.35Å; L195-I199 PolarHBondContact O-N 3.26Å; L196-I199 PolarHBondContact O-N 3.48Å; I199-G201 VanDerWaalsContact C-N 3.3Å; I199-G201 PolarHBondContact O-N 2.9Å; I199-Y202 WeakPolarHBondContact O-CB 3.5Å; I199-Y202 PolarHBondContact O-N 3.5Å; I199-Y202 VanDerWaalsContact O-N 3.07Å; I199-L203 HydrophobicContact CG2-CD1 3.76Å; I199-L203 HydrophobicContact CG2-CG 3.99Å; I199-L203 WeakPolarHBondContact O-CG 3.24Å; I199-L203 PolarHBondContact O-N 3.19Å; I199-W233 HydrophobicContact CB-CZ3 4.49Å; I199-W233 HydrophobicContact CG2-CE3 4.14Å; I199-W233 HydrophobicContact CG2-CZ3 4.01Å |
| 200 | D | 98.6 | Very high | 98.3 | Very high | 39 Ų | 39 | 55.3 Ų | 55.3 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.2 | -42.8 | 178.1 | -177 | 64.8 | 0 | 0 | 0 | 112.2 | L196 N197 Y202 L203 K204 W233 | L196-D200 PolarHBondContact O-N 3.35Å; N197-D200 PolarHBondContact O-N 3.39Å; D200-Y202 PolarHBondContact O-N 3.2Å; D200-L203 PolarHBondContact O-N 2.92Å; D200-K204 WeakPolarHBondContact O-CG 3.42Å; D200-K204 PolarHBondContact O-N 3.11Å; D200-K204 IonicContact OD1-NZ 3.78Å; D200-K204 VanDerWaalsContact OD2-CE 3.3Å; D200-K204 WeakPolarHBondContact OD2-CE 3.38Å; D200-K204 IonicContact OD2-NZ 2.85Å; D200-K204 PolarHBondContact OD2-NZ 3.42Å; D200-W233 HydrophobicContact CB-CH2 4.11Å; D200-W233 HydrophobicContact CB-CZ2 3.68Å |
| 201 | G | 98.4 | Very high | 98.3 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 41% | 0.412 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N197 Q198 I199 | N197-G201 PolarHBondContact O-N 3.48Å; Q198-G201 PolarHBondContact O-N 3.31Å; I199-G201 VanDerWaalsContact C-N 3.3Å; I199-G201 PolarHBondContact O-N 2.9Å |
| 202 | Y | 98.6 | Very high | 98.3 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -48.3 | 174.6 | 170.6 | -106 | 0 | 0 | 0 | 112.3 | T156 Q163 S166 D167 V170 Q198 I199 D200 K204 R205 R206 | T156-Y202 HydrophobicContact CG2-CD1 3.93Å; T156-Y202 HydrophobicContact CG2-CD2 3.87Å; T156-Y202 HydrophobicContact CG2-CE1 4.35Å; T156-Y202 HydrophobicContact CG2-CE2 4.31Å; T156-Y202 HydrophobicContact CG2-CG 3.66Å; Q163-Y202 PolarHBondContact O-OH 3.41Å; S166-Y202 VanDerWaalsContact CB-OH 3.26Å; S166-Y202 WeakPolarHBondContact CB-OH 3.47Å; D167-Y202 PolarHBondContact N-OH 2.81Å; D167-Y202 PolarHBondContact OD1-OH 2.73Å; V170-Y202 HydrophobicContact CB-CE1 4.45Å; V170-Y202 HydrophobicContact CG2-CD1 3.77Å; V170-Y202 HydrophobicContact CG2-CE1 3.9Å; Q198-Y202 PolarHBondContact O-N 2.72Å; I199-Y202 WeakPolarHBondContact O-CB 3.5Å; I199-Y202 PolarHBondContact O-N 3.5Å; I199-Y202 VanDerWaalsContact O-N 3.07Å; D200-Y202 PolarHBondContact O-N 3.2Å; Y202-K204 VanDerWaalsContact C-N 3.26Å; Y202-K204 PolarHBondContact O-N 3.4Å; Y202-R205 WeakPolarHBondContact O-CG 3.5Å; Y202-R205 PolarHBondContact O-N 3.38Å; Y202-R205 VanDerWaalsContact O-N 3.09Å; Y202-R206 HydrophobicContact CD1-CG 4.26Å; Y202-R206 HydrophobicContact CE1-CG 3.81Å; Y202-R206 HydrophobicContact CE2-CG 4.2Å; Y202-R206 PolarHBondContact O-N 2.87Å |
| 203 | L | 98.5 | Very high | 98.4 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -36.7 | -177 | -68.8 | 177.9 | 0 | 0 | 0 | 112.5 | V170 I199 D200 R205 R206 L229 W233 | V170-L203 HydrophobicContact CG1-CD2 4.34Å; I199-L203 HydrophobicContact CG2-CD1 3.76Å; I199-L203 HydrophobicContact CG2-CG 3.99Å; I199-L203 WeakPolarHBondContact O-CG 3.24Å; I199-L203 PolarHBondContact O-N 3.19Å; D200-L203 PolarHBondContact O-N 2.92Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.63Å; L203-R206 PolarHBondContact O-N 3.25Å; L203-L229 HydrophobicContact CD2-CB 3.96Å; L203-L229 HydrophobicContact CD2-CD1 4.26Å; L203-W233 HydrophobicContact CD1-CB 3.61Å; L203-W233 HydrophobicContact CD1-CD2 3.68Å; L203-W233 HydrophobicContact CD1-CE3 4.02Å; L203-W233 HydrophobicContact CD1-CG 3.49Å; L203-W233 VanDerWaalsContact CD1-CG 3.49Å |
| 204 | K | 98 | Very high | 98.4 | Very high | 157 Ų | 157 | 50 Ų | 50 | 68% | 0.683 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66 | -24.5 | 178 | -76.3 | 169.8 | 177.1 | 164.5 | 0 | 114.7 | D200 Y202 | D200-K204 WeakPolarHBondContact O-CG 3.42Å; D200-K204 PolarHBondContact O-N 3.11Å; D200-K204 IonicContact OD1-NZ 3.78Å; D200-K204 VanDerWaalsContact OD2-CE 3.3Å; D200-K204 WeakPolarHBondContact OD2-CE 3.38Å; D200-K204 IonicContact OD2-NZ 2.85Å; D200-K204 PolarHBondContact OD2-NZ 3.42Å; Y202-K204 VanDerWaalsContact C-N 3.26Å; Y202-K204 PolarHBondContact O-N 3.4Å |
| 205 | R | 97.1 | Very high | 98.4 | Very high | 133 Ų | 133 | 45 Ų | 45 | 50% | 0.502 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -100 | -3.6 | -180 | 62.5 | 173.6 | 176.1 | 178.3 | -1 | 113.9 | T156 Y202 L203 | T156-R205 PolarHBondContact O-NH2 3.21Å; Y202-R205 WeakPolarHBondContact O-CG 3.5Å; Y202-R205 PolarHBondContact O-N 3.38Å; Y202-R205 VanDerWaalsContact O-N 3.09Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.63Å |
| 206 | R | 97.9 | Very high | 98.4 | Very high | 14 Ų | 14 | 45.3 Ų | 45.3 | 5% | 0.053 | 23% | 0.231 | C | C | . | . | trans | -63.8 | 138.6 | 178.8 | -73.4 | 173.8 | 69.3 | -124.1 | -2 | 111.3 | D167 Y202 L203 E227 D230 | D167-R206 IonicContact OD1-CZ 3.72Å; D167-R206 IonicContact OD1-NE 2.78Å; D167-R206 PolarHBondContact OD1-NE 3.07Å; D167-R206 IonicContact OD1-NH2 3.82Å; D167-R206 PolarHBondContact OD1-NH2 2.94Å; D167-R206 IonicContact OD2-CZ 3.65Å; D167-R206 IonicContact OD2-NE 3.47Å; D167-R206 IonicContact OD2-NH2 3.77Å; D167-R206 PolarHBondContact OD2-NH2 3.42Å; Y202-R206 HydrophobicContact CD1-CG 4.26Å; Y202-R206 HydrophobicContact CE1-CG 3.81Å; Y202-R206 HydrophobicContact CE2-CG 4.2Å; Y202-R206 PolarHBondContact O-N 2.87Å; L203-R206 PolarHBondContact O-N 3.25Å; R206-E227 IonicContact CZ-OE1 3.89Å; R206-E227 IonicContact CZ-OE2 3.19Å; R206-E227 VanDerWaalsContact NH1-CD 3.34Å; R206-E227 IonicContact NH1-OE1 2.68Å; R206-E227 IonicContact NH1-OE2 2.82Å; R206-E227 PolarHBondContact NH1-OE2 3.28Å; R206-E227 IonicContact NH2-OE1 3.62Å; R206-E227 PolarHBondContact NH2-OE1 3.4Å; R206-E227 IonicContact NH2-OE2 3.04Å; R206-E227 PolarHBondContact NH2-OE2 3.42Å; R206-D230 IonicContact NH1-OD1 3.47Å | ||
| 207 | L | 97.9 | Very high | 98.4 | Very high | 116 Ų | 116 | 45.7 Ų | 45.7 | 61% | 0.607 | 23% | 0.233 | S | C | * | . | trans | -75.4 | 140.2 | 169.4 | -59.4 | 179.1 | 0 | 0 | 0 | 109.8 | Q163 H210 | Q163-L207 PolarHBondContact NE2-O 3.36Å; L207-H210 PolarHBondContact O-CE1 3.41Å | ||
| 208 | K | 98.2 | Very high | 98.4 | Very high | 71 Ų | 71 | 44 Ų | 44 | 31% | 0.309 | 23% | 0.227 | S | C | . | . | trans | -114.8 | 22.2 | -178.3 | -55.3 | -61 | 172.8 | 71.6 | 0 | 112.7 | H210 V211 E227 D230 | K208-H210 PolarHBondContact O-N 2.9Å; K208-V211 HydrophobicContact CB-CG2 4.04Å; K208-V211 WeakPolarHBondContact O-CB 3.35Å; K208-V211 PolarHBondContact O-N 3.31Å; K208-V211 VanDerWaalsContact O-N 3.11Å; K208-E227 HydrophobicContact CD-CG 4.12Å; K208-D230 IonicContact NZ-OD1 3.46Å; K208-D230 PolarHBondContact NZ-OD1 3.35Å; K208-D230 IonicContact NZ-OD2 2.75Å; K208-D230 PolarHBondContact NZ-OD2 2.96Å | ||
| 209 | T | 98.5 | Very high | 98.4 | Very high | 56 Ų | 56 | 41.8 Ų | 41.8 | 34% | 0.344 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.5 | -177.1 | -48.2 | 0 | 0 | 0 | 0 | 112.2 | V211 Q789 Q790 A793 | T209-V211 VanDerWaalsContact C-N 3.34Å; T209-V211 PolarHBondContact O-N 3.32Å; T209-Q789 HydrophobicContact CG2-CB 4.2Å; T209-Q790 WeakPolarHBondContact O-CG 3.19Å; T209-A793 HydrophobicContact CG2-CB 4.13Å |
| 210 | H | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -21.6 | 178.7 | 56.3 | -78.6 | 0 | 0 | 0 | 114.7 | L207 K208 M213 L214 E227 P285 A793 L794 | L207-H210 PolarHBondContact O-CE1 3.41Å; K208-H210 PolarHBondContact O-N 2.9Å; H210-M213 PolarHBondContact O-N 3.25Å; H210-M213 VanDerWaalsContact O-N 3.15Å; H210-L214 HydrophobicContact CB-CD1 4.25Å; H210-L214 WeakPolarHBondContact O-CG 3.34Å; H210-L214 PolarHBondContact O-N 3.45Å; H210-E227 IonicContact CE1-OE1 2.6Å; H210-E227 WeakPolarHBondContact NE2-CG 3.45Å; H210-E227 IonicContact NE2-OE1 3.17Å; H210-E227 PolarHBondContact NE2-OE1 3.34Å; H210-P285 HydrophobicContact CB-CG 3.89Å; H210-P285 WeakPolarHBondContact CD2-CB 3.38Å; H210-P285 WeakPolarHBondContact CD2-CG 3.13Å; H210-P285 WeakPolarHBondContact NE2-CB 3.27Å; H210-A793 HydrophobicContact CB-CB 4.15Å; H210-L794 HydrophobicContact CB-CD2 4.26Å |
| 211 | V | 98.7 | Very high | 98.2 | Very high | 22 Ų | 22 | 54.5 Ų | 54.5 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.7 | -51.5 | -167.7 | 174.1 | 0 | 0 | 0 | 0 | 112.9 | K208 T209 M213 L214 Q215 E227 V287 | K208-V211 HydrophobicContact CB-CG2 4.04Å; K208-V211 WeakPolarHBondContact O-CB 3.35Å; K208-V211 PolarHBondContact O-N 3.31Å; K208-V211 VanDerWaalsContact O-N 3.11Å; T209-V211 VanDerWaalsContact C-N 3.34Å; T209-V211 PolarHBondContact O-N 3.32Å; V211-M213 PolarHBondContact O-N 3.05Å; V211-L214 PolarHBondContact O-N 3.36Å; V211-Q215 HydrophobicContact CG1-CG 3.88Å; V211-Q215 WeakPolarHBondContact O-CG 3.28Å; V211-Q215 PolarHBondContact O-N 2.95Å; V211-Q215 VanDerWaalsContact O-N 3.09Å; V211-E227 HydrophobicContact CG2-CB 3.98Å; V211-E227 HydrophobicContact CG2-CG 3.66Å; V211-V287 HydrophobicContact CG1-CG2 4.39Å |
| 212 | P | 98.6 | Very high | 98.1 | Very high | 59 Ų | 59 | 56.2 Ų | 56.2 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61 | -21 | -178.9 | -23.1 | 35.1 | 0 | 0 | 0 | 114 | ||
| 213 | M | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -84.6 | -19 | 178 | 178.4 | 169.3 | -161.1 | 0 | 0 | 114.4 | H210 V211 L362 Q754 F757 L758 Q790 F791 L794 | H210-M213 PolarHBondContact O-N 3.25Å; H210-M213 VanDerWaalsContact O-N 3.15Å; V211-M213 PolarHBondContact O-N 3.05Å; M213-L362 WeakPolarHBondContact O-CD1 3.29Å; M213-Q754 VanDerWaalsContact CA-NE2 3.28Å; M213-Q754 HydrophobicContact CE-CG 3.98Å; M213-Q754 HydrophobicContact CG-CG 3.86Å; M213-Q754 HydrophobicContact SD-CG 4.43Å; M213-F757 HydrophobicContact CE-CB 3.54Å; M213-L758 HydrophobicContact CE-CD2 3.54Å; M213-L758 HydrophobicContact CE-CG 3.62Å; M213-L758 HydrophobicContact CG-CD2 3.75Å; M213-L758 HydrophobicContact CG-CG 4.31Å; M213-L758 HydrophobicContact SD-CD2 4.3Å; M213-Q790 HydrophobicContact CB-CB 3.73Å; M213-Q790 HydrophobicContact CB-CG 4.13Å; M213-Q790 HydrophobicContact CG-CB 4.28Å; M213-Q790 HydrophobicContact SD-CB 3.58Å; M213-Q790 VanDerWaalsContact SD-CB 3.58Å; M213-F791 HydrophobicContact CE-CB 4.06Å; M213-F791 HydrophobicContact SD-CB 4.25Å; M213-F791 PolarHBondContact SD-N 3.11Å; M213-F791 VanDerWaalsContact SD-N 3.41Å; M213-L794 HydrophobicContact CE-CD1 4.27Å; M213-L794 HydrophobicContact SD-CD1 4.24Å; M213-L794 HydrophobicContact SD-CG 4.49Å |
| 214 | L | 98.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -111.9 | -8.4 | -175.3 | -60.4 | -179 | 0 | 0 | 0 | 113.3 | H210 V211 P285 V287 L362 L758 L794 | H210-L214 HydrophobicContact CB-CD1 4.25Å; H210-L214 WeakPolarHBondContact O-CG 3.34Å; H210-L214 PolarHBondContact O-N 3.45Å; V211-L214 PolarHBondContact O-N 3.36Å; L214-P285 HydrophobicContact CD1-CG 4.15Å; L214-P285 VanDerWaalsContact CD1-O 3.25Å; L214-P285 WeakPolarHBondContact CD1-O 3.46Å; L214-V287 HydrophobicContact CB-CB 4.23Å; L214-V287 HydrophobicContact CB-CG2 3.65Å; L214-L362 HydrophobicContact CD2-CB 3.97Å; L214-L758 HydrophobicContact CD2-CD2 4.19Å; L214-L794 HydrophobicContact CD1-CD2 3.9Å; L214-L794 HydrophobicContact CD2-CD2 3.9Å; L214-L794 HydrophobicContact CG-CD2 4.08Å |
| 215 | Q | 98.8 | Very high | 98.1 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | trans | -70.8 | 129.3 | 175.8 | -77.3 | -178.4 | -37.4 | 0 | 0 | 112.1 | V211 Q225 V287 | V211-Q215 HydrophobicContact CG1-CG 3.88Å; V211-Q215 WeakPolarHBondContact O-CG 3.28Å; V211-Q215 PolarHBondContact O-N 2.95Å; V211-Q215 VanDerWaalsContact O-N 3.09Å; Q215-Q225 HydrophobicContact CB-CB 4.33Å; Q215-Q225 HydrophobicContact CG-CB 3.87Å; Q215-Q225 PolarHBondContact NE2-O 2.85Å; Q215-V287 HydrophobicContact CG-CG1 3.96Å; Q215-V287 HydrophobicContact CG-CG2 4.32Å | ||
| 216 | V | 98.9 | Very high | 98.2 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -69.3 | -39.7 | 169.6 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | F289 F360 M405 N406 C409 | V216-F289 HydrophobicContact CB-CD2 4.26Å; V216-F289 HydrophobicContact CG1-CD2 4.41Å; V216-F289 HydrophobicContact CG1-CE2 4.17Å; V216-F289 HydrophobicContact CG2-CD2 3.93Å; V216-F289 HydrophobicContact CG2-CE2 4.46Å; V216-F360 HydrophobicContact CG1-CB 4.11Å; V216-F360 HydrophobicContact CG1-CG 4.49Å; V216-F360 HydrophobicContact CG2-CB 3.75Å; V216-M405 HydrophobicContact CG1-CG 4.24Å; V216-M405 CarbonylContact O-C 3.43Å; V216-M405 VanDerWaalsContact O-CA 3.24Å; V216-M405 WeakPolarHBondContact O-CA 3.48Å; V216-N406 PolarHBondContact O-N 3.18Å; V216-C409 HydrophobicContact CG1-CB 4.05Å |
| 217 | W | 98.8 | Very high | 98.2 | Very high | 9 Ų | 9 | 46 Ų | 46 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -127.4 | 134.3 | 173 | -64.8 | -79.1 | 0 | 0 | 0 | 110.4 | A219 Q225 F289 M291 M398 R401 T404 M405 | W217-A219 VanDerWaalsContact C-N 3.35Å; W217-Q225 HydrophobicContact CB-CG 4.18Å; W217-Q225 HydrophobicContact CE3-CG 4.34Å; W217-Q225 VanDerWaalsContact O-CG 3.28Å; W217-Q225 WeakPolarHBondContact O-CG 3.27Å; W217-F289 HydrophobicContact CE3-CE2 4.3Å; W217-F289 AromaticContact CH2-CE2 3.48Å; W217-F289 HydrophobicContact CH2-CE2 3.48Å; W217-F289 VanDerWaalsContact CH2-CE2 3.48Å; W217-F289 AromaticContact CH2-CZ 3.76Å; W217-F289 HydrophobicContact CH2-CZ 3.76Å; W217-F289 AromaticContact CZ3-CD2 3.91Å; W217-F289 HydrophobicContact CZ3-CD2 3.91Å; W217-F289 AromaticContact CZ3-CE2 3.25Å; W217-F289 HydrophobicContact CZ3-CE2 3.25Å; W217-F289 AromaticContact CZ3-CZ 3.84Å; W217-F289 HydrophobicContact CZ3-CZ 3.84Å; W217-M291 HydrophobicContact CH2-CB 4.17Å; W217-M291 HydrophobicContact CZ3-CB 4.28Å; W217-M398 HydrophobicContact CH2-CG 4.41Å; W217-M398 HydrophobicContact CZ2-CG 4.18Å; W217-R401 HydrophobicContact CZ2-CB 4.36Å; W217-R401 PolarHBondContact NE1-O 3.37Å; W217-T404 WeakPolarHBondContact CA-O 3.41Å; W217-M405 VanDerWaalsContact CE2-CE 3.43Å; W217-M405 HydrophobicContact CH2-CE 4.27Å; W217-M405 HydrophobicContact CZ2-CE 3.23Å |
| 218 | T | 98.3 | Very high | 98.3 | Very high | 72 Ų | 72 | 41 Ų | 41 | 44% | 0.442 | 22% | 0.219 | S | C | . | . | trans | -83.7 | -10.8 | 174 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | T404 | T218-T404 PolarHBondContact N-O 2.78Å; T218-T404 WeakPolarHBondContact OG1-CB 3.29Å | ||
| 219 | A | 98 | Very high | 98.3 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 26% | 0.256 | 20% | 0.204 | S | C | . | . | trans | -74 | 133.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W217 K221 T404 | W217-A219 VanDerWaalsContact C-N 3.35Å; A219-K221 PolarHBondContact O-N 3.39Å; A219-T404 HydrophobicContact CB-CG2 3.93Å; A219-T404 VanDerWaalsContact CB-OG1 3.3Å; A219-T404 WeakPolarHBondContact CB-OG1 3.47Å | ||
| 220 | E | 96.6 | Very high | 98.3 | Very high | 126 Ų | 126 | 37.6 Ų | 37.6 | 59% | 0.589 | 20% | 0.202 | S | C | * | . | trans | -72.4 | -17.3 | 174.2 | -64.4 | -61.4 | 146.8 | 0 | 0 | 113.4 | H223 P224 | E220-H223 CarbonylContact O-C 3.06Å; E220-P224 WeakPolarHBondContact O-CD 3.23Å; E220-P224 WeakPolarHBondContact OE2-CB 3.41Å | ||
| 221 | K | 96.4 | Very high | 98.4 | Very high | 180 Ų | 180 | 37.7 Ų | 37.7 | 78% | 0.783 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -120.4 | 144.8 | -177.9 | -69 | -177.1 | -177.6 | 177.1 | 0 | 110.8 | A219 | A219-K221 PolarHBondContact O-N 3.39Š|
| 222 | P | 97.2 | Very high | 98.4 | Very high | 76 Ų | 76 | 36.7 Ų | 36.7 | 49% | 0.494 | 20% | 0.197 | S | C | . | . | S | Bend | cis | -78.2 | -16.7 | -0.7 | 29.6 | -32.9 | 0 | 0 | 0 | 113.9 | ||
| 223 | H | 98.1 | Very high | 98.4 | Very high | 17 Ų | 17 | 35.6 Ų | 35.6 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -130.9 | 125.6 | 177.5 | -48.3 | -62.8 | 0 | 0 | 0 | 111.1 | E220 Q225 R290 M291 D293 | E220-H223 CarbonylContact O-C 3.06Å; H223-Q225 PolarHBondContact O-NE2 3.43Å; H223-Q225 VanDerWaalsContact O-NE2 3.15Å; H223-R290 HydrophobicContact CB-CB 4.12Å; H223-R290 HydrophobicContact CB-CG 3.77Å; H223-M291 VanDerWaalsContact CD2-C 3.49Å; H223-M291 PolarHBondContact CD2-O 3.12Å; H223-M291 VanDerWaalsContact CD2-O 3.25Å; H223-M291 PolarHBondContact NE2-O 3.18Å; H223-M291 VanDerWaalsContact NE2-O 3.09Å; H223-D293 IonicContact CE1-OD2 3.67Å; H223-D293 PolarHBondContact CE1-OD2 2.97Å |
| 224 | P | 98.2 | Very high | 98.4 | Very high | 44 Ų | 44 | 37 Ų | 37 | 29% | 0.286 | 20% | 0.197 | S | C | . | . | trans | -65.9 | 142.2 | 172.1 | 29.4 | -35.2 | 0 | 0 | 0 | 110.2 | E220 E226 | E220-P224 WeakPolarHBondContact O-CD 3.23Å; E220-P224 WeakPolarHBondContact OE2-CB 3.41Å; P224-E226 HydrophobicContact CB-CG 4.16Å; P224-E226 HydrophobicContact CG-CG 4.08Å; P224-E226 PolarHBondContact O-N 2.9Å | ||
| 225 | Q | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | trans | -91.6 | 92 | 171.9 | -56.6 | -53.8 | -73.1 | 0 | 0 | 107.7 | Q215 W217 H223 V287 I288 R290 | Q215-Q225 HydrophobicContact CB-CB 4.33Å; Q215-Q225 HydrophobicContact CG-CB 3.87Å; Q215-Q225 PolarHBondContact NE2-O 2.85Å; W217-Q225 HydrophobicContact CB-CG 4.18Å; W217-Q225 HydrophobicContact CE3-CG 4.34Å; W217-Q225 VanDerWaalsContact O-CG 3.28Å; W217-Q225 WeakPolarHBondContact O-CG 3.27Å; H223-Q225 PolarHBondContact O-NE2 3.43Å; H223-Q225 VanDerWaalsContact O-NE2 3.15Å; Q225-V287 HydrophobicContact CB-CG1 3.61Å; Q225-V287 WeakPolarHBondContact O-CG1 3.41Å; Q225-I288 PolarHBondContact OE1-O 3.12Å; Q225-R290 PolarHBondContact NE2-O 3.25Å; Q225-R290 VanDerWaalsContact OE1-N 3.17Å | ||
| 226 | E | 98.8 | Very high | 98.4 | Very high | 42 Ų | 42 | 35.9 Ų | 35.9 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | trans | -82.3 | 146.8 | -168.1 | -65.6 | 178.4 | -125.2 | 0 | 0 | 113.1 | P224 C231 V287 I288 H307 | P224-E226 HydrophobicContact CB-CG 4.16Å; P224-E226 HydrophobicContact CG-CG 4.08Å; P224-E226 PolarHBondContact O-N 2.9Å; E226-C231 HydrophobicContact CB-CB 3.92Å; E226-V287 CarbonylContact O-C 3.51Å; E226-V287 WeakPolarHBondContact O-CA 3.32Å; E226-I288 PolarHBondContact O-N 2.86Å; E226-H307 IonicContact OE1-CD2 3.5Å; E226-H307 IonicContact OE1-CE1 3.95Å; E226-H307 IonicContact OE1-NE2 2.64Å; E226-H307 PolarHBondContact OE1-NE2 2.93Å; E226-H307 IonicContact OE2-CD2 2.74Å; E226-H307 IonicContact OE2-CE1 3.1Å; E226-H307 IonicContact OE2-NE2 2.94Å; E226-H307 PolarHBondContact OE2-NE2 3.36Å | ||
| 227 | E | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -63.9 | 135.5 | 171.3 | -155.9 | -78.9 | 161.7 | 0 | 0 | 110.4 | R206 K208 H210 V211 L229 D230 C231 | R206-E227 IonicContact CZ-OE1 3.89Å; R206-E227 IonicContact CZ-OE2 3.19Å; R206-E227 VanDerWaalsContact NH1-CD 3.34Å; R206-E227 IonicContact NH1-OE1 2.68Å; R206-E227 IonicContact NH1-OE2 2.82Å; R206-E227 PolarHBondContact NH1-OE2 3.28Å; R206-E227 IonicContact NH2-OE1 3.62Å; R206-E227 PolarHBondContact NH2-OE1 3.4Å; R206-E227 IonicContact NH2-OE2 3.04Å; R206-E227 PolarHBondContact NH2-OE2 3.42Å; K208-E227 HydrophobicContact CD-CG 4.12Å; H210-E227 IonicContact CE1-OE1 2.6Å; H210-E227 WeakPolarHBondContact NE2-CG 3.45Å; H210-E227 IonicContact NE2-OE1 3.17Å; H210-E227 PolarHBondContact NE2-OE1 3.34Å; V211-E227 HydrophobicContact CG2-CB 3.98Å; V211-E227 HydrophobicContact CG2-CG 3.66Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.22Å; E227-L229 WeakPolarHBondContact OE2-CB 3.24Å; E227-L229 PolarHBondContact OE2-N 3.42Å; E227-D230 HydrophobicContact CB-CB 4.41Å; E227-D230 PolarHBondContact O-N 2.98Å; E227-D230 VanDerWaalsContact O-N 3.16Å; E227-D230 PolarHBondContact OE2-N 3.27Å; E227-C231 WeakPolarHBondContact O-CB 3.3Å; E227-C231 PolarHBondContact O-N 3.45Å |
| 228 | Y | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -34.2 | -166.1 | 79 | -66.7 | 0 | 0 | 0 | 115.2 | D167 Y171 L232 P285 R286 | D167-Y228 WeakPolarHBondContact CB-OH 3.49Å; D167-Y228 PolarHBondContact OD2-OH 2.92Å; Y171-Y228 AromaticContact CD2-CD2 3.59Å; Y171-Y228 HydrophobicContact CD2-CD2 3.59Å; Y171-Y228 AromaticContact CD2-CE2 3.49Å; Y171-Y228 HydrophobicContact CD2-CE2 3.49Å; Y171-Y228 VanDerWaalsContact CD2-CE2 3.49Å; Y171-Y228 AromaticContact CE2-CD2 3.84Å; Y171-Y228 HydrophobicContact CE2-CD2 3.84Å; Y171-Y228 HydrophobicContact CE2-CE2 4.15Å; Y171-Y228 HydrophobicContact CG-CD2 4.41Å; Y171-Y228 AromaticContact CG-CE2 3.88Å; Y171-Y228 HydrophobicContact CG-CE2 3.88Å; Y228-L232 VanDerWaalsContact O-CB 3.22Å; Y228-L232 WeakPolarHBondContact O-CB 3.39Å; Y228-L232 PolarHBondContact O-N 3.44Å; Y228-P285 HydrophobicContact CD1-CB 4.44Å; Y228-P285 HydrophobicContact CE1-CB 3.9Å; Y228-R286 WeakPolarHBondContact CB-O 3.29Å; Y228-R286 HydrophobicContact CD1-CB 4.31Å; Y228-R286 VanDerWaalsContact CD1-N 3.33Å; Y228-R286 VanDerWaalsContact CD1-O 3.27Å; Y228-R286 WeakPolarHBondContact CD1-O 3.34Å; Y228-R286 HydrophobicContact CG-CB 4.14Å; Y228-R286 PolarHBondContact N-O 2.8Å |
| 229 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -79.8 | -34.3 | 178.3 | -83.9 | 174.7 | 0 | 0 | 0 | 111.9 | D167 V170 Y171 L174 L203 E227 W233 | D167-L229 HydrophobicContact CB-CD1 3.98Å; D167-L229 WeakPolarHBondContact OD1-CD1 3.29Å; V170-L229 HydrophobicContact CG1-CD2 4.03Å; Y171-L229 HydrophobicContact CD2-CD2 4.22Å; L174-L229 HydrophobicContact CD1-CD2 4.13Å; L203-L229 HydrophobicContact CD2-CB 3.96Å; L203-L229 HydrophobicContact CD2-CD1 4.26Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.22Å; E227-L229 WeakPolarHBondContact OE2-CB 3.24Å; E227-L229 PolarHBondContact OE2-N 3.42Å; L229-W233 WeakPolarHBondContact O-CB 3.39Å; L229-W233 PolarHBondContact O-N 2.85Å |
| 230 | D | 98.8 | Very high | 98.4 | Very high | 56 Ų | 56 | 40.7 Ų | 40.7 | 30% | 0.299 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 173.6 | -63.5 | -23.7 | 0 | 0 | 0 | 110.9 | R206 K208 E227 W233 A234 | R206-D230 IonicContact NH1-OD1 3.47Å; K208-D230 IonicContact NZ-OD1 3.46Å; K208-D230 PolarHBondContact NZ-OD1 3.35Å; K208-D230 IonicContact NZ-OD2 2.75Å; K208-D230 PolarHBondContact NZ-OD2 2.96Å; E227-D230 HydrophobicContact CB-CB 4.41Å; E227-D230 PolarHBondContact O-N 2.98Å; E227-D230 VanDerWaalsContact O-N 3.16Å; E227-D230 PolarHBondContact OE2-N 3.27Å; D230-W233 PolarHBondContact O-N 2.91Å; D230-A234 PolarHBondContact O-N 3.39Å |
| 231 | C | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -47 | 177.6 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | E226 E227 W233 A234 Q235 I288 | E226-C231 HydrophobicContact CB-CB 3.92Å; E227-C231 WeakPolarHBondContact O-CB 3.3Å; E227-C231 PolarHBondContact O-N 3.45Å; C231-W233 VanDerWaalsContact C-N 3.33Å; C231-W233 PolarHBondContact O-N 2.98Å; C231-A234 PolarHBondContact O-N 2.97Å; C231-Q235 VanDerWaalsContact O-CG 3.25Å; C231-Q235 WeakPolarHBondContact O-CG 3.44Å; C231-Q235 PolarHBondContact O-N 2.88Å; C231-I288 HydrophobicContact CB-CG1 3.92Å |
| 232 | L | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 177.1 | -178.3 | 60.6 | 0 | 0 | 0 | 111.9 | Y171 L174 Y228 Q235 I236 F312 | Y171-L232 HydrophobicContact CD2-CD2 3.57Å; Y171-L232 HydrophobicContact CE2-CD2 3.71Å; L174-L232 HydrophobicContact CB-CD2 3.59Å; L174-L232 HydrophobicContact CB-CG 3.92Å; L174-L232 HydrophobicContact CD1-CD2 4.46Å; L174-L232 HydrophobicContact CD1-CG 4.5Å; Y228-L232 VanDerWaalsContact O-CB 3.22Å; Y228-L232 WeakPolarHBondContact O-CB 3.39Å; Y228-L232 PolarHBondContact O-N 3.44Å; L232-Q235 WeakPolarHBondContact O-CB 3.49Å; L232-Q235 PolarHBondContact O-N 3.34Å; L232-I236 HydrophobicContact CD1-CD1 4.42Å; L232-I236 HydrophobicContact CD1-CG1 4.29Å; L232-I236 HydrophobicContact CG-CG1 4.46Å; L232-I236 WeakPolarHBondContact O-CG1 3.3Å; L232-I236 PolarHBondContact O-N 3.11Å; L232-F312 HydrophobicContact CD1-CD1 4.33Å; L232-F312 HydrophobicContact CD1-CD2 4.09Å; L232-F312 HydrophobicContact CD1-CE1 4.37Å; L232-F312 HydrophobicContact CD1-CE2 4.12Å; L232-F312 HydrophobicContact CD1-CG 4.21Å; L232-F312 HydrophobicContact CD1-CZ 4.27Å |
| 233 | W | 98.9 | Very high | 98.7 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 174.7 | 178.5 | -120.7 | 0 | 0 | 0 | 111.7 | L174 L196 I199 D200 L203 L229 D230 C231 Q235 I236 Q237 | L174-W233 HydrophobicContact CD1-CE3 4.3Å; L174-W233 HydrophobicContact CD2-CE3 3.81Å; L174-W233 HydrophobicContact CD2-CZ3 3.99Å; L196-W233 HydrophobicContact CB-CH2 4.24Å; L196-W233 HydrophobicContact CD2-CH2 4.38Å; L196-W233 HydrophobicContact CD2-CZ3 3.92Å; L196-W233 WeakPolarHBondContact O-CH2 3.38Å; I199-W233 HydrophobicContact CB-CZ3 4.49Å; I199-W233 HydrophobicContact CG2-CE3 4.14Å; I199-W233 HydrophobicContact CG2-CZ3 4.01Å; D200-W233 HydrophobicContact CB-CH2 4.11Å; D200-W233 HydrophobicContact CB-CZ2 3.68Å; L203-W233 HydrophobicContact CD1-CB 3.61Å; L203-W233 HydrophobicContact CD1-CD2 3.68Å; L203-W233 HydrophobicContact CD1-CE3 4.02Å; L203-W233 HydrophobicContact CD1-CG 3.49Å; L203-W233 VanDerWaalsContact CD1-CG 3.49Å; L229-W233 WeakPolarHBondContact O-CB 3.39Å; L229-W233 PolarHBondContact O-N 2.85Å; D230-W233 PolarHBondContact O-N 2.91Å; C231-W233 VanDerWaalsContact C-N 3.33Å; C231-W233 PolarHBondContact O-N 2.98Å; W233-Q235 VanDerWaalsContact C-N 3.26Å; W233-Q235 PolarHBondContact O-N 3.48Å; W233-I236 PolarHBondContact O-N 3.48Å; W233-Q237 HydrophobicContact CD2-CG 3.9Å; W233-Q237 HydrophobicContact CE3-CG 4.4Å; W233-Q237 HydrophobicContact CG-CG 4.34Å; W233-Q237 HydrophobicContact CH2-CG 4.34Å; W233-Q237 VanDerWaalsContact CZ2-CD 3.44Å; W233-Q237 HydrophobicContact CZ2-CG 3.82Å; W233-Q237 WeakPolarHBondContact O-CB 3.46Å; W233-Q237 VanDerWaalsContact O-CG 3.23Å; W233-Q237 WeakPolarHBondContact O-CG 3.15Å; W233-Q237 PolarHBondContact O-N 2.88Å |
| 234 | A | 98.9 | Very high | 98.7 | Very high | 30 Ų | 30 | 43.9 Ų | 43.9 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.4 | -40.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | D230 C231 Q237 K238 H307 | D230-A234 PolarHBondContact O-N 3.39Å; C231-A234 PolarHBondContact O-N 2.97Å; A234-Q237 PolarHBondContact O-N 3.32Å; A234-K238 PolarHBondContact O-N 3.26Å; A234-H307 HydrophobicContact CB-CB 4.3Å |
| 235 | Q | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.023 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 175.3 | -67.5 | 164.1 | -9.8 | 0 | 0 | 112.5 | C231 L232 W233 K238 L239 S306 H307 V309 | C231-Q235 VanDerWaalsContact O-CG 3.25Å; C231-Q235 WeakPolarHBondContact O-CG 3.44Å; C231-Q235 PolarHBondContact O-N 2.88Å; L232-Q235 WeakPolarHBondContact O-CB 3.49Å; L232-Q235 PolarHBondContact O-N 3.34Å; W233-Q235 VanDerWaalsContact C-N 3.26Å; W233-Q235 PolarHBondContact O-N 3.48Å; Q235-K238 PolarHBondContact O-N 3.13Å; Q235-L239 PolarHBondContact O-N 2.93Å; Q235-S306 PolarHBondContact NE2-O 3.24Å; Q235-H307 WeakPolarHBondContact CA-O 3.09Å; Q235-H307 VanDerWaalsContact CG-C 3.49Å; Q235-V309 HydrophobicContact CB-CG1 3.93Å; Q235-V309 WeakPolarHBondContact O-CG1 3.34Å |
| 236 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 177.6 | -65.7 | -45.7 | 0 | 0 | 0 | 111.5 | L174 L177 P178 L196 L232 W233 K238 L239 K240 W244 V309 | L174-I236 HydrophobicContact CB-CG1 4.24Å; L174-I236 HydrophobicContact CD2-CB 4.42Å; L174-I236 HydrophobicContact CD2-CG1 4.16Å; L174-I236 HydrophobicContact CD2-CG2 4.25Å; L174-I236 WeakPolarHBondContact O-CD1 3.45Å; L177-I236 HydrophobicContact CB-CD1 3.96Å; L177-I236 HydrophobicContact CD1-CD1 4.46Å; L177-I236 HydrophobicContact CD1-CG1 4.34Å; L177-I236 HydrophobicContact CD1-CG2 3.59Å; P178-I236 HydrophobicContact CG-CD1 4.23Å; L196-I236 HydrophobicContact CD2-CG2 4.5Å; L232-I236 HydrophobicContact CD1-CD1 4.42Å; L232-I236 HydrophobicContact CD1-CG1 4.29Å; L232-I236 HydrophobicContact CG-CG1 4.46Å; L232-I236 WeakPolarHBondContact O-CG1 3.3Å; L232-I236 PolarHBondContact O-N 3.11Å; W233-I236 PolarHBondContact O-N 3.48Å; I236-K238 VanDerWaalsContact C-N 3.31Å; I236-K238 PolarHBondContact O-N 3.35Å; I236-L239 HydrophobicContact CD1-CD2 4.42Å; I236-L239 PolarHBondContact O-N 2.79Å; I236-K240 WeakPolarHBondContact O-CB 3.37Å; I236-K240 PolarHBondContact O-N 2.67Å; I236-W244 HydrophobicContact CG2-CH2 4.49Å; I236-W244 HydrophobicContact CG2-CZ3 4.42Å; I236-V309 HydrophobicContact CD1-CG1 3.97Å |
| 237 | Q | 98.8 | Very high | 98.4 | Very high | 77 Ų | 77 | 53.2 Ų | 53.2 | 36% | 0.36 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.4 | -39 | 176.1 | -69.7 | -67.6 | 89.6 | 0 | 0 | 111.6 | W233 A234 K241 | W233-Q237 HydrophobicContact CD2-CG 3.9Å; W233-Q237 HydrophobicContact CE3-CG 4.4Å; W233-Q237 HydrophobicContact CG-CG 4.34Å; W233-Q237 HydrophobicContact CH2-CG 4.34Å; W233-Q237 VanDerWaalsContact CZ2-CD 3.44Å; W233-Q237 HydrophobicContact CZ2-CG 3.82Å; W233-Q237 WeakPolarHBondContact O-CB 3.46Å; W233-Q237 VanDerWaalsContact O-CG 3.23Å; W233-Q237 WeakPolarHBondContact O-CG 3.15Å; W233-Q237 PolarHBondContact O-N 2.88Å; A234-Q237 PolarHBondContact O-N 3.32Å; Q237-K241 WeakPolarHBondContact O-CB 3.46Å; Q237-K241 PolarHBondContact O-N 3.49Å |
| 238 | K | 98.7 | Very high | 98.3 | Very high | 85 Ų | 85 | 53.2 Ų | 53.2 | 37% | 0.37 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.4 | -47.2 | 170.8 | 175.9 | 168.4 | 166.4 | 46.6 | 0 | 111.6 | A234 Q235 I236 K240 K241 D242 H307 | A234-K238 PolarHBondContact O-N 3.26Å; Q235-K238 PolarHBondContact O-N 3.13Å; I236-K238 VanDerWaalsContact C-N 3.31Å; I236-K238 PolarHBondContact O-N 3.35Å; K238-K240 VanDerWaalsContact C-N 3.32Å; K238-K240 PolarHBondContact O-N 2.89Å; K238-K241 WeakPolarHBondContact O-CB 3.41Å; K238-K241 PolarHBondContact O-N 3.39Å; K238-D242 IonicContact NZ-OD1 3.89Å; K238-D242 IonicContact NZ-OD2 2.76Å; K238-D242 PolarHBondContact NZ-OD2 3.26Å; K238-D242 WeakPolarHBondContact O-CB 3.31Å; K238-D242 VanDerWaalsContact O-CG 3.31Å; K238-D242 PolarHBondContact O-N 3.19Å; K238-H307 WeakPolarHBondContact CD-O 3.42Å |
| 239 | L | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.5 | -45.1 | 177.6 | 176.6 | 61.2 | 0 | 0 | 0 | 111.6 | Q235 I236 D242 R243 W244 E246 V309 | Q235-L239 PolarHBondContact O-N 2.93Å; I236-L239 HydrophobicContact CD1-CD2 4.42Å; I236-L239 PolarHBondContact O-N 2.79Å; L239-D242 CarbonylContact O-C 3.58Å; L239-D242 PolarHBondContact O-N 3.1Å; L239-R243 PolarHBondContact O-N 3.05Å; L239-W244 HydrophobicContact CD2-CE3 3.84Å; L239-W244 HydrophobicContact CD2-CZ3 4.23Å; L239-W244 HydrophobicContact CG-CE3 3.89Å; L239-W244 WeakPolarHBondContact O-CA 3.37Å; L239-W244 PolarHBondContact O-N 2.91Å; L239-E246 HydrophobicContact CD1-CB 4.14Å; L239-V309 HydrophobicContact CB-CG1 3.81Å; L239-V309 HydrophobicContact CB-CG2 4.21Å; L239-V309 HydrophobicContact CD1-CG2 3.94Å; L239-V309 HydrophobicContact CD2-CG1 3.99Å; L239-V309 HydrophobicContact CD2-CG2 4.18Å; L239-V309 HydrophobicContact CG-CG1 4.41Å; L239-V309 HydrophobicContact CG-CG2 4.32Å |
| 240 | K | 98.5 | Very high | 98.1 | Very high | 54 Ų | 54 | 56.6 Ų | 56.6 | 24% | 0.235 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 175.4 | -177.7 | 179.3 | -178.1 | 177.3 | 0 | 111.6 | D193 L196 I236 K238 D242 R243 W244 | D193-K240 WeakPolarHBondContact OD1-CE 3.28Å; D193-K240 IonicContact OD1-NZ 3.62Å; D193-K240 PolarHBondContact OD1-NZ 2.94Å; L196-K240 HydrophobicContact CD1-CD 4.01Å; I236-K240 WeakPolarHBondContact O-CB 3.37Å; I236-K240 PolarHBondContact O-N 2.67Å; K238-K240 VanDerWaalsContact C-N 3.32Å; K238-K240 PolarHBondContact O-N 2.89Å; K240-D242 PolarHBondContact O-N 3.45Å; K240-R243 WeakPolarHBondContact O-CA 3.31Å; K240-R243 PolarHBondContact O-N 2.9Å; K240-W244 HydrophobicContact CB-CH2 4.34Å; K240-W244 HydrophobicContact CB-CZ2 4.08Å; K240-W244 HydrophobicContact CD-CZ2 4.29Å; K240-W244 HydrophobicContact CG-CZ2 3.95Å |
| 241 | K | 98.4 | Very high | 98 | Very high | 174 Ų | 174 | 56.1 Ų | 56.1 | 76% | 0.757 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -58.8 | -36.5 | 175.7 | -178.3 | -179 | 177.5 | -179.5 | 0 | 111.9 | Q237 K238 R243 | Q237-K241 WeakPolarHBondContact O-CB 3.46Å; Q237-K241 PolarHBondContact O-N 3.49Å; K238-K241 WeakPolarHBondContact O-CB 3.41Å; K238-K241 PolarHBondContact O-N 3.39Å; K241-R243 PolarHBondContact O-N 3.4Å |
| 242 | D | 98.4 | Very high | 98 | Very high | 66 Ų | 66 | 56.6 Ų | 56.6 | 35% | 0.353 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 19.9 | 176.5 | -62.7 | -16.8 | 0 | 0 | 0 | 112.5 | K238 L239 K240 W244 Q245 | K238-D242 IonicContact NZ-OD1 3.89Å; K238-D242 IonicContact NZ-OD2 2.76Å; K238-D242 PolarHBondContact NZ-OD2 3.26Å; K238-D242 WeakPolarHBondContact O-CB 3.31Å; K238-D242 VanDerWaalsContact O-CG 3.31Å; K238-D242 PolarHBondContact O-N 3.19Å; L239-D242 CarbonylContact O-C 3.58Å; L239-D242 PolarHBondContact O-N 3.1Å; K240-D242 PolarHBondContact O-N 3.45Å; D242-W244 VanDerWaalsContact C-N 3.3Å; D242-W244 PolarHBondContact O-N 3.46Å; D242-Q245 WeakPolarHBondContact O-CB 3.31Å; D242-Q245 PolarHBondContact O-N 3.35Å |
| 243 | R | 98.3 | Very high | 97.9 | Very high | 207 Ų | 207 | 57.2 Ų | 57.2 | 78% | 0.781 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 41.8 | 178 | -54.7 | -179.6 | -179.2 | -177.9 | -1 | 113 | L239 K240 K241 Q245 | L239-R243 PolarHBondContact O-N 3.05Å; K240-R243 WeakPolarHBondContact O-CA 3.31Å; K240-R243 PolarHBondContact O-N 2.9Å; K241-R243 PolarHBondContact O-N 3.4Å; R243-Q245 PolarHBondContact O-N 3.05Å; R243-Q245 VanDerWaalsContact O-N 3.13Å; R243-Q245 PolarHBondContact O-NE2 3.38Å |
| 244 | W | 98.4 | Very high | 97.8 | Very high | 18 Ų | 18 | 60.8 Ų | 60.8 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 26.9 | -180 | -52.5 | 97.5 | 0 | 0 | 0 | 113.6 | L177 K182 Y185 L196 I236 L239 K240 D242 | L177-W244 HydrophobicContact CB-CZ3 3.98Å; L177-W244 HydrophobicContact CD1-CH2 4.17Å; L177-W244 HydrophobicContact CD1-CZ3 4.14Å; L177-W244 HydrophobicContact CG-CZ3 4.44Å; K182-W244 HydrophobicContact CB-CB 3.64Å; K182-W244 HydrophobicContact CB-CG 4.49Å; K182-W244 HydrophobicContact CG-CB 4.1Å; Y185-W244 AromaticContact CD1-CD1 3.92Å; Y185-W244 AromaticContact CD1-NE1 3.28Å; Y185-W244 VanDerWaalsContact CD1-NE1 3.28Å; Y185-W244 AromaticContact CD2-CE2 3.99Å; Y185-W244 AromaticContact CD2-CZ2 3.75Å; Y185-W244 HydrophobicContact CD2-CZ2 3.75Å; Y185-W244 AromaticContact CD2-NE1 3.7Å; Y185-W244 AromaticContact CE1-NE1 3.94Å; Y185-W244 HydrophobicContact CE2-CZ2 4.39Å; Y185-W244 AromaticContact CG-CE2 3.77Å; Y185-W244 HydrophobicContact CG-CZ2 4.03Å; Y185-W244 AromaticContact CG-NE1 3.13Å; L196-W244 HydrophobicContact CD1-CH2 4.23Å; L196-W244 HydrophobicContact CD1-CZ2 4.27Å; I236-W244 HydrophobicContact CG2-CH2 4.49Å; I236-W244 HydrophobicContact CG2-CZ3 4.42Å; L239-W244 HydrophobicContact CD2-CE3 3.84Å; L239-W244 HydrophobicContact CD2-CZ3 4.23Å; L239-W244 HydrophobicContact CG-CE3 3.89Å; L239-W244 WeakPolarHBondContact O-CA 3.37Å; L239-W244 PolarHBondContact O-N 2.91Å; K240-W244 HydrophobicContact CB-CH2 4.34Å; K240-W244 HydrophobicContact CB-CZ2 4.08Å; K240-W244 HydrophobicContact CD-CZ2 4.29Å; K240-W244 HydrophobicContact CG-CZ2 3.95Å; D242-W244 VanDerWaalsContact C-N 3.3Å; D242-W244 PolarHBondContact O-N 3.46Å |
| 245 | Q | 97.8 | Very high | 97.7 | Very high | 101 Ų | 101 | 62.4 Ų | 62.4 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | trans | -95.9 | 126.6 | 174.5 | -60.6 | -53.3 | -53 | 0 | 0 | 110.3 | D242 R243 | D242-Q245 WeakPolarHBondContact O-CB 3.31Å; D242-Q245 PolarHBondContact O-N 3.35Å; R243-Q245 PolarHBondContact O-N 3.05Å; R243-Q245 VanDerWaalsContact O-N 3.13Å; R243-Q245 PolarHBondContact O-NE2 3.38Å | ||
| 246 | E | 96.9 | Very high | 97.6 | Very high | 15 Ų | 15 | 63 Ų | 63 | 7% | 0.07 | 29% | 0.289 | C | S | . | . | trans | -125.3 | 162.6 | 172.2 | 58.7 | 70.9 | -141.7 | 0 | 0 | 110.7 | L239 H248 I249 R251 V309 E310 | L239-E246 HydrophobicContact CD1-CB 4.14Å; E246-H248 PolarHBondContact OE2-N 3.09Å; E246-I249 HydrophobicContact CG-CD1 4.2Å; E246-I249 PolarHBondContact OE2-N 2.83Å; E246-R251 IonicContact OE1-CZ 3.75Å; E246-R251 IonicContact OE1-NE 3.73Å; E246-R251 PolarHBondContact OE1-NE 2.92Å; E246-R251 IonicContact OE1-NH2 2.84Å; E246-R251 PolarHBondContact OE1-NH2 2.89Å; E246-V309 HydrophobicContact CB-CG2 3.86Å; E246-E310 WeakPolarHBondContact CA-OE1 3.48Å | ||
| 247 | R | 95.1 | Very high | 97.3 | Very high | 170 Ų | 170 | 67.6 Ų | 67.6 | 64% | 0.642 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -116 | 9.5 | -166.9 | -66.2 | -175.5 | 67.4 | 173.3 | 1.1 | 114.3 | E310 N343 | R247-E310 HydrophobicContact CB-CG 4.38Å; R247-E310 PolarHBondContact N-OE1 2.86Å; R247-N343 PolarHBondContact O-ND2 3.1Å |
| 248 | H | 96.5 | Very high | 97 | Very high | 5 Ų | 5 | 68.2 Ų | 68.2 | 2% | 0.023 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -124.6 | -44.5 | -167.7 | -170.9 | 59.3 | 0 | 0 | 0 | 115.2 | E246 L250 E310 I314 Y339 K342 | E246-H248 PolarHBondContact OE2-N 3.09Å; H248-L250 PolarHBondContact O-N 3.34Å; H248-E310 HydrophobicContact CB-CB 4.08Å; H248-E310 HydrophobicContact CB-CG 3.68Å; H248-I314 VanDerWaalsContact NE2-CG1 3.28Å; H248-I314 WeakPolarHBondContact NE2-CG1 3.5Å; H248-Y339 AromaticContact CE1-CE1 3.65Å; H248-Y339 AromaticContact NE2-CE1 3.38Å; H248-Y339 WeakPolarHBondContact NE2-CE1 3.38Å; H248-Y339 AromaticContact NE2-CZ 3.4Å; H248-Y339 PolarHBondContact NE2-OH 3.25Å; H248-K342 VanDerWaalsContact O-CB 3.3Å; H248-K342 WeakPolarHBondContact O-CB 3.44Å; H248-K342 PolarHBondContact O-N 2.93Å |
| 249 | I | 97.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 66.8 Ų | 66.8 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | trans | -61.6 | 128.3 | -173.6 | -61.8 | 166.2 | 0 | 0 | 0 | 110 | T84 P178 W179 E246 R251 V313 | T84-I249 HydrophobicContact CG2-CG2 4Å; P178-I249 HydrophobicContact CB-CD1 3.97Å; P178-I249 VanDerWaalsContact O-CD1 3.25Å; P178-I249 WeakPolarHBondContact O-CD1 3.35Å; W179-I249 HydrophobicContact CD2-CD1 4.09Å; W179-I249 HydrophobicContact CG-CD1 4.19Å; E246-I249 HydrophobicContact CG-CD1 4.2Å; E246-I249 PolarHBondContact OE2-N 2.83Å; I249-R251 HydrophobicContact CG2-CG 3.89Å; I249-V313 HydrophobicContact CD1-CG2 4.22Å; I249-V313 HydrophobicContact CG1-CG1 3.88Å; I249-V313 HydrophobicContact CG1-CG2 4.34Å | ||
| 250 | L | 96.3 | Very high | 96.7 | Very high | 71 Ų | 71 | 66.7 Ų | 66.7 | 37% | 0.372 | 32% | 0.324 | S | S | . | . | trans | -81.8 | 128.6 | 169.8 | -67.3 | 175.8 | 0 | 0 | 0 | 109.4 | T84 H248 P252 P340 K342 | T84-L250 WeakPolarHBondContact CB-O 3.49Å; T84-L250 WeakPolarHBondContact CG2-O 3.24Å; T84-L250 PolarHBondContact OG1-O 2.78Å; H248-L250 PolarHBondContact O-N 3.34Å; L250-P252 WeakPolarHBondContact O-CD 3.46Å; L250-P340 HydrophobicContact CD1-CB 3.66Å; L250-P340 HydrophobicContact CD1-CG 4.02Å; L250-K342 HydrophobicContact CD2-CB 4.03Å | ||
| 251 | R | 97.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 67.4 Ų | 67.4 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | trans | -126.3 | 79 | -172.4 | -62.9 | -179.7 | -171.7 | -95.4 | 3.7 | 109.9 | P178 W179 E246 I249 Y253 I254 | P178-R251 PolarHBondContact O-NH2 2.98Å; W179-R251 PolarHBondContact O-NH1 3.45Å; E246-R251 IonicContact OE1-CZ 3.75Å; E246-R251 IonicContact OE1-NE 3.73Å; E246-R251 PolarHBondContact OE1-NE 2.92Å; E246-R251 IonicContact OE1-NH2 2.84Å; E246-R251 PolarHBondContact OE1-NH2 2.89Å; I249-R251 HydrophobicContact CG2-CG 3.89Å; R251-Y253 HydrophobicContact CB-CD2 4.31Å; R251-Y253 HydrophobicContact CB-CE1 4.03Å; R251-Y253 HydrophobicContact CB-CE2 3.7Å; R251-Y253 WeakPolarHBondContact CD-OH 3.29Å; R251-Y253 HydrophobicContact CG-CE1 4.34Å; R251-Y253 HydrophobicContact CG-CE2 4.18Å; R251-Y253 WeakPolarHBondContact CG-OH 3.48Å; R251-Y253 PolarHBondContact NH1-OH 3.35Å; R251-Y253 PolarHBondContact O-N 2.55Å; R251-I254 HydrophobicContact CB-CD1 3.66Å; R251-I254 HydrophobicContact CB-CG1 3.92Å; R251-I254 HydrophobicContact CG-CD1 4.47Å; R251-I254 PolarHBondContact O-N 2.68Å; R251-I254 VanDerWaalsContact O-N 3.15Å | ||
| 252 | P | 97.6 | Very high | 96.1 | Very high | 13 Ų | 13 | 67.1 Ų | 67.1 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -58.6 | -33 | -173.3 | -23.4 | 34.1 | 0 | 0 | 0 | 113.3 | L46 L50 T88 L250 I254 A255 F256 | L46-P252 HydrophobicContact CD2-CB 4.15Å; L46-P252 HydrophobicContact CD2-CG 3.79Å; L50-P252 HydrophobicContact CD1-CB 3.97Å; T88-P252 HydrophobicContact CG2-CB 4.22Å; L250-P252 WeakPolarHBondContact O-CD 3.46Å; P252-I254 PolarHBondContact O-N 2.6Å; P252-I254 VanDerWaalsContact O-N 3.09Å; P252-A255 WeakPolarHBondContact O-CB 3.3Å; P252-A255 PolarHBondContact O-N 3.33Å; P252-F256 WeakPolarHBondContact O-CD2 3.46Å |
| 253 | Y | 97.9 | Very high | 95.8 | Very high | 14 Ų | 14 | 64.7 Ų | 64.7 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -55.2 | -23.9 | 176.9 | 48.5 | -103.1 | 0 | 0 | 0 | 114.8 | T84 T88 D133 N136 C137 R251 A255 F256 | T84-Y253 HydrophobicContact CG2-CE1 4.47Å; T88-Y253 WeakPolarHBondContact OG1-CD1 3.19Å; T88-Y253 PolarHBondContact OG1-N 3.07Å; D133-Y253 WeakPolarHBondContact OD1-CE1 3.47Å; D133-Y253 PolarHBondContact OD1-OH 3.07Å; D133-Y253 WeakPolarHBondContact OD2-CE1 3.29Å; N136-Y253 HydrophobicContact CB-CD2 4.32Å; N136-Y253 HydrophobicContact CB-CE1 4.3Å; N136-Y253 HydrophobicContact CB-CE2 3.62Å; N136-Y253 PolarHBondContact ND2-OH 3.36Å; C137-Y253 WeakPolarHBondContact SG-CD1 3.3Å; R251-Y253 HydrophobicContact CB-CD2 4.31Å; R251-Y253 HydrophobicContact CB-CE1 4.03Å; R251-Y253 HydrophobicContact CB-CE2 3.7Å; R251-Y253 WeakPolarHBondContact CD-OH 3.29Å; R251-Y253 HydrophobicContact CG-CE1 4.34Å; R251-Y253 HydrophobicContact CG-CE2 4.18Å; R251-Y253 WeakPolarHBondContact CG-OH 3.48Å; R251-Y253 PolarHBondContact NH1-OH 3.35Å; R251-Y253 PolarHBondContact O-N 2.55Å; Y253-A255 PolarHBondContact O-N 2.83Å; Y253-F256 PolarHBondContact O-N 2.94Å |
| 254 | I | 96.6 | Very high | 95.7 | Very high | 110 Ų | 110 | 60.5 Ų | 60.5 | 56% | 0.564 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -60.9 | -31.4 | 175.7 | -63.3 | 178.5 | 0 | 0 | 0 | 111.3 | R251 P252 F256 | R251-I254 HydrophobicContact CB-CD1 3.66Å; R251-I254 HydrophobicContact CB-CG1 3.92Å; R251-I254 HydrophobicContact CG-CD1 4.47Å; R251-I254 PolarHBondContact O-N 2.68Å; R251-I254 VanDerWaalsContact O-N 3.15Å; P252-I254 PolarHBondContact O-N 2.6Å; P252-I254 VanDerWaalsContact O-N 3.09Å; I254-F256 PolarHBondContact O-N 2.75Å |
| 255 | A | 96.7 | Very high | 95.7 | Very high | 64 Ų | 64 | 63.3 Ų | 63.3 | 53% | 0.529 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -72.7 | -12 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E47 P252 Y253 | E47-A255 HydrophobicContact CG-CB 3.75Å; P252-A255 WeakPolarHBondContact O-CB 3.3Å; P252-A255 PolarHBondContact O-N 3.33Å; Y253-A255 PolarHBondContact O-N 2.83Å |
| 256 | F | 97.1 | Very high | 95.8 | Very high | 17 Ų | 17 | 59.3 Ų | 59.3 | 8% | 0.075 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -114.2 | 18.5 | -176.4 | -62.3 | -85.3 | 0 | 0 | 0 | 112.8 | E47 L50 E51 T88 L92 P252 Y253 I254 S258 V259 L260 | E47-F256 HydrophobicContact CB-CE2 4.03Å; E47-F256 HydrophobicContact CB-CZ 3.7Å; E47-F256 HydrophobicContact CG-CE2 4.12Å; E47-F256 HydrophobicContact CG-CZ 4.3Å; E47-F256 WeakPolarHBondContact O-CZ 3.27Å; L50-F256 HydrophobicContact CB-CZ 4.31Å; L50-F256 HydrophobicContact CD1-CE2 4.37Å; E51-F256 HydrophobicContact CB-CE1 4.27Å; E51-F256 WeakPolarHBondContact OE2-CE1 3.27Å; T88-F256 HydrophobicContact CG2-CD2 3.87Å; T88-F256 HydrophobicContact CG2-CE2 4.05Å; L92-F256 HydrophobicContact CD1-CD1 4.32Å; L92-F256 HydrophobicContact CD1-CE1 4.05Å; L92-F256 HydrophobicContact CD1-CE2 4.48Å; L92-F256 HydrophobicContact CD1-CZ 4.12Å; L92-F256 HydrophobicContact CD2-CB 4.12Å; L92-F256 HydrophobicContact CD2-CD1 3.67Å; L92-F256 HydrophobicContact CD2-CE1 4.17Å; L92-F256 HydrophobicContact CD2-CG 3.93Å; P252-F256 WeakPolarHBondContact O-CD2 3.46Å; Y253-F256 PolarHBondContact O-N 2.94Å; I254-F256 PolarHBondContact O-N 2.75Å; F256-S258 PolarHBondContact O-N 3.16Å; F256-S258 VanDerWaalsContact O-N 3.15Å; F256-V259 PolarHBondContact O-N 2.85Å; F256-L260 HydrophobicContact CB-CD1 4.04Å; F256-L260 HydrophobicContact CB-CG 4.09Å; F256-L260 WeakPolarHBondContact O-CG 3.36Å; F256-L260 PolarHBondContact O-N 3.42Å |
| 257 | D | 92.3 | Very high | 95.8 | Very high | 97 Ų | 97 | 64.3 Ų | 64.3 | 52% | 0.519 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -50 | -43.2 | -175.3 | -169.2 | 56.9 | 0 | 0 | 0 | 113 | V259 L260 C261 | D257-V259 VanDerWaalsContact C-N 3.26Å; D257-V259 PolarHBondContact O-N 2.93Å; D257-L260 PolarHBondContact O-N 2.98Å; D257-C261 VanDerWaalsContact O-CB 3.25Å; D257-C261 WeakPolarHBondContact O-CB 3.33Å; D257-C261 PolarHBondContact O-N 3.28Å; D257-C261 PolarHBondContact O-SG 2.9Å; D257-C261 PolarHBondContact OD1-SG 3.4Å |
| 258 | S | 92.9 | Very high | 95.9 | Very high | 91 Ų | 91 | 57 Ų | 57 | 64% | 0.636 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.1 | -30.3 | 178.6 | 60.5 | 0 | 0 | 0 | 0 | 114 | F256 | F256-S258 PolarHBondContact O-N 3.16Å; F256-S258 VanDerWaalsContact O-N 3.15Å |
| 259 | V | 94.8 | Very high | 95.7 | Very high | 55 Ų | 55 | 59.1 Ų | 59.1 | 33% | 0.333 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -85.9 | -44.7 | 179 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | L92 A95 F256 D257 E262 | L92-V259 HydrophobicContact CD2-CG1 4.26Å; A95-V259 HydrophobicContact CB-CG1 3.89Å; F256-V259 PolarHBondContact O-N 2.85Å; D257-V259 VanDerWaalsContact C-N 3.26Å; D257-V259 PolarHBondContact O-N 2.93Å; V259-E262 PolarHBondContact O-N 3.22Å |
| 260 | L | 95.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -74.3 | -32.2 | -172.8 | -61.6 | 178.7 | 0 | 0 | 0 | 112.4 | G91 L92 H138 F256 D257 E262 A263 | G91-L260 VanDerWaalsContact C-CD2 3.44Å; L92-L260 HydrophobicContact CD2-CD2 4.27Å; H138-L260 WeakPolarHBondContact CB-O 3.24Å; F256-L260 HydrophobicContact CB-CD1 4.04Å; F256-L260 HydrophobicContact CB-CG 4.09Å; F256-L260 WeakPolarHBondContact O-CG 3.36Å; F256-L260 PolarHBondContact O-N 3.42Å; D257-L260 PolarHBondContact O-N 2.98Å; L260-E262 VanDerWaalsContact C-N 3.25Å; L260-E262 PolarHBondContact O-N 2.64Å; L260-A263 WeakPolarHBondContact O-CB 3.22Å; L260-A263 PolarHBondContact O-N 2.99Å; L260-A263 VanDerWaalsContact O-N 3.14Å |
| 261 | C | 91.7 | Very high | 95.3 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 47% | 0.473 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25 | 176.5 | -82.7 | 0 | 0 | 0 | 0 | 113.7 | D257 | D257-C261 VanDerWaalsContact O-CB 3.25Å; D257-C261 WeakPolarHBondContact O-CB 3.33Å; D257-C261 PolarHBondContact O-N 3.28Å; D257-C261 PolarHBondContact O-SG 2.9Å; D257-C261 PolarHBondContact OD1-SG 3.4Å |
| 262 | E | 91.9 | Very high | 95.2 | Very high | 168 Ų | 168 | 64.3 Ų | 64.3 | 79% | 0.785 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -13.3 | 175.6 | -64.4 | -175.7 | 175.4 | 0 | 0 | 112.5 | V259 L260 | V259-E262 PolarHBondContact O-N 3.22Å; L260-E262 VanDerWaalsContact C-N 3.25Å; L260-E262 PolarHBondContact O-N 2.64Å |
| 263 | A | 93.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 64.3 Ų | 64.3 | 12% | 0.124 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -72.4 | 140.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A95 L260 | A95-A263 HydrophobicContact CB-CB 3.92Å; L260-A263 WeakPolarHBondContact O-CB 3.22Å; L260-A263 PolarHBondContact O-N 2.99Å; L260-A263 VanDerWaalsContact O-N 3.14Å |
| 264 | L | 96.3 | Very high | 95 | Very high | 118 Ų | 118 | 66 Ų | 66 | 62% | 0.618 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -77 | 137.1 | 173.2 | -65.1 | 175.2 | 0 | 0 | 0 | 110.4 | N94 Y98 | N94-L264 PolarHBondContact ND2-O 3.31Å; Y98-L264 HydrophobicContact CD2-CB 3.49Å; Y98-L264 VanDerWaalsContact CD2-CB 3.49Å; Y98-L264 HydrophobicContact CD2-CD1 4.38Å; Y98-L264 HydrophobicContact CE2-CB 3.4Å; Y98-L264 VanDerWaalsContact CE2-CB 3.4Å; Y98-L264 HydrophobicContact CE2-CD1 4.47Å; Y98-L264 HydrophobicContact CG-CB 4.48Å |
| 265 | Q | 98.1 | Very high | 95 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 150.7 | 178.2 | -69.1 | 177.7 | -15.2 | 0 | 0 | 111.8 | H138 A141 | H138-Q265 HydrophobicContact CB-CG 4.5Å; H138-Q265 WeakPolarHBondContact O-CG 3.02Å; A141-Q265 HydrophobicContact CB-CB 4.23Å |
| 266 | H | 98.5 | Very high | 94.9 | Very high | 16 Ų | 16 | 63.9 Ų | 63.9 | 7% | 0.074 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -102.3 | 148.1 | 172.2 | -61.6 | -87.6 | 0 | 0 | 0 | 110.9 | N94 Y98 G102 V139 I140 A141 | N94-H266 PolarHBondContact OD1-CD2 3Å; N94-H266 PolarHBondContact OD1-NE2 2.89Å; Y98-H266 AromaticContact CD1-CE1 3.86Å; Y98-H266 AromaticContact CD2-CE1 3.42Å; Y98-H266 VanDerWaalsContact CD2-CE1 3.42Å; Y98-H266 WeakPolarHBondContact CD2-CE1 3.46Å; Y98-H266 AromaticContact CD2-NE2 3.33Å; Y98-H266 VanDerWaalsContact CD2-NE2 3.33Å; Y98-H266 WeakPolarHBondContact CD2-NE2 3.48Å; Y98-H266 AromaticContact CE1-CE1 3.56Å; Y98-H266 AromaticContact CE2-CD2 3.92Å; Y98-H266 AromaticContact CE2-CE1 3.12Å; Y98-H266 WeakPolarHBondContact CE2-CE1 3.38Å; Y98-H266 AromaticContact CE2-ND1 3.69Å; Y98-H266 AromaticContact CE2-NE2 3.28Å; Y98-H266 VanDerWaalsContact CE2-NE2 3.28Å; Y98-H266 WeakPolarHBondContact CE2-NE2 3.28Å; Y98-H266 AromaticContact CG-CE1 3.81Å; Y98-H266 AromaticContact CG-NE2 4Å; Y98-H266 AromaticContact CZ-CE1 3.19Å; Y98-H266 AromaticContact CZ-ND1 3.52Å; Y98-H266 AromaticContact CZ-NE2 3.87Å; Y98-H266 PolarHBondContact O-CE1 3.27Å; Y98-H266 PolarHBondContact O-NE2 3.45Å; Y98-H266 VanDerWaalsContact O-NE2 3.17Å; G102-H266 WeakPolarHBondContact CA-CE1 3.47Å; G102-H266 WeakPolarHBondContact CA-ND1 3.3Å; G102-H266 PolarHBondContact N-CE1 3.38Å; G102-H266 PolarHBondContact N-NE2 2.9Å; V139-H266 PolarHBondContact O-CD2 3.1Å; V139-H266 PolarHBondContact O-N 3.07Å; I140-H266 WeakPolarHBondContact CA-O 3.43Å; A141-H266 PolarHBondContact N-O 3.49Å |
| 267 | N | 98 | Very high | 94.7 | Very high | 121 Ų | 121 | 68.1 Ų | 68.1 | 65% | 0.647 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -91.4 | 136.8 | 167.6 | -72.9 | -54 | 0 | 0 | 0 | 109.6 | ||
| 268 | L | 96.8 | Very high | 94.5 | Very high | 17 Ų | 17 | 69.6 Ų | 69.6 | 9% | 0.089 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 139.4 | 168.9 | -68.5 | -175.7 | 0 | 0 | 0 | 111.3 | V105 I109 L131 I140 S144 M145 M148 | V105-L268 HydrophobicContact CG1-CD2 3.44Å; V105-L268 VanDerWaalsContact CG1-CD2 3.44Å; I109-L268 HydrophobicContact CD1-CD2 4.12Å; I109-L268 HydrophobicContact CG1-CD2 4.21Å; L131-L268 HydrophobicContact CD2-CD2 4.35Å; I140-L268 HydrophobicContact CD1-CD2 3.85Å; I140-L268 HydrophobicContact CG1-CD2 4.31Å; I140-L268 HydrophobicContact CG2-CD1 4.43Å; I140-L268 HydrophobicContact CG2-CD2 4.3Å; I140-L268 HydrophobicContact CG2-CG 3.92Å; S144-L268 PolarHBondContact OG-N 3.34Å; M145-L268 HydrophobicContact CG-CD1 4.42Å; M145-L268 HydrophobicContact SD-CD1 3.33Å; M145-L268 WeakPolarHBondContact SD-CD1 3.46Å; M145-L268 HydrophobicContact SD-CG 4.38Å; M148-L268 HydrophobicContact CB-CD1 4.43Å; M148-L268 HydrophobicContact SD-CD1 3.66Å |
| 269 | P | 93.6 | Very high | 94.3 | Very high | 49 Ų | 49 | 70.5 Ų | 70.5 | 32% | 0.318 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 145.5 | 162.4 | -21.7 | 32.2 | 0 | 0 | 0 | 110.5 | F271 | P269-F271 PolarHBondContact O-N 2.78Å; P269-F271 VanDerWaalsContact O-N 3.17Å |
| 270 | P | 90 | Very high | 94.3 | Very high | 120 Ų | 120 | 69.1 Ų | 69.1 | 78% | 0.779 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 125.4 | 173 | -26.3 | 34.4 | 0 | 0 | 0 | 111 | ||
| 271 | F | 94.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 75.7 Ų | 75.7 | 2% | 0.018 | 43% | 0.429 | C | S | . | . | trans | -110.1 | 120.3 | -179.5 | -174.8 | -80.6 | 0 | 0 | 0 | 110.1 | I109 L112 K113 L116 M148 N151 F152 P269 P273 | I109-F271 HydrophobicContact CD1-CD2 4.49Å; I109-F271 HydrophobicContact CG2-CD2 4.32Å; L112-F271 HydrophobicContact CD2-CD2 4.22Å; L112-F271 HydrophobicContact CD2-CE2 3.63Å; L112-F271 HydrophobicContact CD2-CZ 4Å; L112-F271 HydrophobicContact CG-CE2 3.97Å; L112-F271 HydrophobicContact CG-CZ 4.25Å; K113-F271 HydrophobicContact CG-CE2 3.81Å; L116-F271 HydrophobicContact CD1-CZ 3.69Å; M148-F271 HydrophobicContact CE-CB 4.44Å; M148-F271 HydrophobicContact CE-CD1 4.29Å; M148-F271 HydrophobicContact CE-CD2 4.13Å; M148-F271 HydrophobicContact CE-CG 4.01Å; M148-F271 HydrophobicContact CG-CB 4.26Å; N151-F271 PolarHBondContact ND2-O 3.43Å; F152-F271 HydrophobicContact CD1-CD1 4.4Å; F152-F271 HydrophobicContact CD1-CE1 4.43Å; F152-F271 AromaticContact CE1-CD1 3.57Å; F152-F271 HydrophobicContact CE1-CD1 3.57Å; F152-F271 AromaticContact CE1-CE1 3.47Å; F152-F271 HydrophobicContact CE1-CE1 3.47Å; F152-F271 VanDerWaalsContact CE1-CE1 3.47Å; F152-F271 HydrophobicContact CE1-CZ 4.39Å; F152-F271 HydrophobicContact CZ-CD1 4.45Å; F152-F271 HydrophobicContact CZ-CE1 4.19Å; P269-F271 PolarHBondContact O-N 2.78Å; P269-F271 VanDerWaalsContact O-N 3.17Å; F271-P273 HydrophobicContact CE1-CG 4.44Å | ||
| 272 | T | 95.5 | Very high | 94.4 | Very high | 111 Ų | 111 | 72.8 Ų | 72.8 | 68% | 0.681 | 41% | 0.408 | S | S | * | . | trans | -106.1 | 124.7 | 170.4 | -52.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 273 | P | 96.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 66.4 Ų | 66.4 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -48.9 | 133.3 | 170.3 | -29.5 | 36.8 | 0 | 0 | 0 | 111.5 | N151 F152 V155 F169 F271 A275 | N151-P273 VanDerWaalsContact O-CG 3.28Å; N151-P273 WeakPolarHBondContact O-CG 3.26Å; F152-P273 HydrophobicContact CD1-CG 4.25Å; V155-P273 HydrophobicContact CG2-CB 3.86Å; V155-P273 HydrophobicContact CG2-CG 3.68Å; F169-P273 HydrophobicContact CE1-CB 3.93Å; F169-P273 HydrophobicContact CE1-CG 4.07Å; F169-P273 HydrophobicContact CE2-CB 4.36Å; F169-P273 HydrophobicContact CZ-CB 3.66Å; F169-P273 HydrophobicContact CZ-CG 4.3Å; F271-P273 HydrophobicContact CE1-CG 4.44Å; P273-A275 PolarHBondContact O-N 2.99Å |
| 274 | P | 95.6 | Very high | 94.9 | Very high | 49 Ų | 49 | 67.3 Ų | 67.3 | 32% | 0.318 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 133.8 | 170.9 | -25.3 | 35.4 | 0 | 0 | 0 | 110.3 | L116 R165 | L116-P274 HydrophobicContact CB-CG 4.04Å; L116-P274 HydrophobicContact CD1-CG 4.13Å; R165-P274 VanDerWaalsContact CZ-O 3.31Å; R165-P274 PolarHBondContact NH1-O 3.26Å; R165-P274 PolarHBondContact NH2-O 3.49Å |
| 275 | A | 94.9 | Very high | 95 | Very high | 72 Ų | 72 | 61.8 Ų | 61.8 | 60% | 0.595 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 151.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P273 | P273-A275 PolarHBondContact O-N 2.99Š|
| 276 | H | 95.6 | Very high | 95 | Very high | 59 Ų | 59 | 61.6 Ų | 61.6 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 136.2 | 173.1 | 178.3 | 54 | 0 | 0 | 0 | 110.5 | V161 Y282 | V161-H276 HydrophobicContact CG1-CB 3.86Å; H276-Y282 AromaticContact CE1-CE2 3.85Å; H276-Y282 AromaticContact ND1-CE2 3.46Å; H276-Y282 WeakPolarHBondContact ND1-CE2 3.05Å; H276-Y282 AromaticContact ND1-CZ 3.67Å; H276-Y282 PolarHBondContact ND1-OH 3.42Å |
| 277 | M | 93.4 | Very high | 95 | Very high | 105 Ų | 105 | 62 Ų | 62 | 52% | 0.517 | 35% | 0.354 | S | S | . | . | trans | -132 | 151.5 | 173 | -61.8 | -64.8 | -64.2 | 0 | 0 | 108.7 | D279 C280 | M277-D279 WeakPolarHBondContact CB-OD1 3.19Å; M277-D279 PolarHBondContact O-N 3.31Å; M277-D279 VanDerWaalsContact O-N 3.08Å; M277-C280 PolarHBondContact N-SG 2.88Å; M277-C280 WeakPolarHBondContact O-CB 3.26Å; M277-C280 PolarHBondContact O-N 3.33Å; M277-C280 PolarHBondContact O-SG 3.14Å; M277-C280 VanDerWaalsContact O-SG 3.42Å | ||
| 278 | P | 88.1 | Confident | 95.1 | Very high | 128 Ų | 128 | 58.2 Ų | 58.2 | 83% | 0.831 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.5 | -178.1 | -26.4 | 35.4 | 0 | 0 | 0 | 115.3 | ||
| 279 | D | 88.8 | Confident | 95.2 | Very high | 111 Ų | 111 | 58.3 Ų | 58.3 | 59% | 0.594 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -3.1 | 176.4 | 65.3 | -30.4 | 0 | 0 | 0 | 113.7 | N119 M277 Q281 | N119-D279 PolarHBondContact ND2-O 3.04Å; M277-D279 WeakPolarHBondContact CB-OD1 3.19Å; M277-D279 PolarHBondContact O-N 3.31Å; M277-D279 VanDerWaalsContact O-N 3.08Å; D279-Q281 PolarHBondContact O-N 3.07Å |
| 280 | C | 93.2 | Very high | 95.4 | Very high | 26 Ų | 26 | 56.3 Ų | 56.3 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | trans | -69.7 | 127.1 | 175.3 | -69.8 | 0 | 0 | 0 | 0 | 111 | N119 M277 Y282 | N119-C280 WeakPolarHBondContact OD1-CA 3.47Å; M277-C280 PolarHBondContact N-SG 2.88Å; M277-C280 WeakPolarHBondContact O-CB 3.26Å; M277-C280 PolarHBondContact O-N 3.33Å; M277-C280 PolarHBondContact O-SG 3.14Å; M277-C280 VanDerWaalsContact O-SG 3.42Å; C280-Y282 HydrophobicContact CB-CE1 4.28Å; C280-Y282 HydrophobicContact CB-CE2 3.76Å; C280-Y282 VanDerWaalsContact CB-OH 3.32Å; C280-Y282 WeakPolarHBondContact CB-OH 3.4Å | ||
| 281 | Q | 93.8 | Very high | 95.8 | Very high | 140 Ų | 140 | 50.6 Ų | 50.6 | 65% | 0.654 | 28% | 0.283 | S | S | * | . | trans | -115 | 94.9 | 178 | -66.9 | -175.4 | 8.7 | 0 | 0 | 110.7 | N119 Y121 D279 | N119-Q281 HydrophobicContact CB-CB 4.47Å; N119-Q281 PolarHBondContact OD1-N 3.44Å; N119-Q281 VanDerWaalsContact OD1-N 3.17Å; Y121-Q281 WeakPolarHBondContact CD2-O 3.43Å; Y121-Q281 WeakPolarHBondContact CE2-O 3.27Å; D279-Q281 PolarHBondContact O-N 3.07Å | ||
| 282 | Y | 96.9 | Very high | 96 | Very high | 8 Ų | 8 | 50.4 Ų | 50.4 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 150.4 | -179.7 | -54.8 | -73.3 | 0 | 0 | 0 | 111.7 | Y121 P162 V164 R165 H276 C280 M284 Q795 | Y121-Y282 HydrophobicContact CD1-CD1 4.4Å; Y121-Y282 AromaticContact CE1-CD1 3.68Å; Y121-Y282 HydrophobicContact CE1-CD1 3.68Å; Y121-Y282 AromaticContact CE1-CE1 3.78Å; Y121-Y282 HydrophobicContact CE1-CE1 3.78Å; Y121-Y282 AromaticContact CE2-CD1 3.94Å; Y121-Y282 HydrophobicContact CE2-CD1 3.94Å; Y121-Y282 HydrophobicContact CE2-CE1 4.34Å; Y121-Y282 AromaticContact CZ-CD1 3.43Å; Y121-Y282 VanDerWaalsContact CZ-CD1 3.43Å; Y121-Y282 AromaticContact CZ-CE1 3.48Å; Y121-Y282 VanDerWaalsContact CZ-CE1 3.48Å; Y121-Y282 WeakPolarHBondContact OH-CE1 3.38Å; P162-Y282 HydrophobicContact CG-CE2 4.47Å; V164-Y282 HydrophobicContact CG2-CD2 3.93Å; V164-Y282 HydrophobicContact CG2-CG 4.22Å; R165-Y282 HydrophobicContact CB-CD1 4.12Å; R165-Y282 HydrophobicContact CB-CD2 3.94Å; R165-Y282 HydrophobicContact CB-CE1 3.89Å; R165-Y282 HydrophobicContact CB-CE2 3.68Å; R165-Y282 HydrophobicContact CB-CG 4.16Å; R165-Y282 HydrophobicContact CG-CD1 4.34Å; R165-Y282 HydrophobicContact CG-CE1 3.71Å; R165-Y282 HydrophobicContact CG-CE2 4.14Å; R165-Y282 PolarHBondContact NH1-OH 2.8Å; H276-Y282 AromaticContact CE1-CE2 3.85Å; H276-Y282 AromaticContact ND1-CE2 3.46Å; H276-Y282 WeakPolarHBondContact ND1-CE2 3.05Å; H276-Y282 AromaticContact ND1-CZ 3.67Å; H276-Y282 PolarHBondContact ND1-OH 3.42Å; C280-Y282 HydrophobicContact CB-CE1 4.28Å; C280-Y282 HydrophobicContact CB-CE2 3.76Å; C280-Y282 VanDerWaalsContact CB-OH 3.32Å; C280-Y282 WeakPolarHBondContact CB-OH 3.4Å; Y282-M284 PolarHBondContact O-N 3.3Å; Y282-Q795 PolarHBondContact O-NE2 3.28Å |
| 283 | P | 97.5 | Very high | 96.2 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 137.4 | 174.6 | -25.3 | 36.5 | 0 | 0 | 0 | 111.8 | Y121 | Y121-P283 HydrophobicContact CD2-CG 4.48Å; Y121-P283 HydrophobicContact CG-CG 4.18Å |
| 284 | M | 98.1 | Very high | 96.2 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 16% | 0.163 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 151.2 | 172.8 | -67.1 | -177.3 | 176.5 | 0 | 0 | 111.3 | Y282 R286 P363 H761 L794 | Y282-M284 PolarHBondContact O-N 3.3Å; M284-R286 PolarHBondContact O-NH1 3.03Å; M284-P363 HydrophobicContact SD-CG 3.66Å; M284-H761 HydrophobicContact CE-CB 4.43Å; M284-H761 WeakPolarHBondContact CE-CE1 3.3Å; M284-H761 WeakPolarHBondContact CE-ND1 3.42Å; M284-L794 HydrophobicContact CE-CB 4.29Å; M284-L794 HydrophobicContact CG-CB 4.37Å; M284-L794 WeakPolarHBondContact CG-O 3.38Å; M284-L794 HydrophobicContact SD-CB 4.22Å; M284-L794 HydrophobicContact SD-CD1 4.34Å |
| 285 | P | 98.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.019 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 159.4 | 169.2 | 29.8 | -35 | 0 | 0 | 0 | 110.1 | H210 L214 Y228 | H210-P285 HydrophobicContact CB-CG 3.89Å; H210-P285 WeakPolarHBondContact CD2-CB 3.38Å; H210-P285 WeakPolarHBondContact CD2-CG 3.13Å; H210-P285 WeakPolarHBondContact NE2-CB 3.27Å; L214-P285 HydrophobicContact CD1-CG 4.15Å; L214-P285 VanDerWaalsContact CD1-O 3.25Å; L214-P285 WeakPolarHBondContact CD1-O 3.46Å; Y228-P285 HydrophobicContact CD1-CB 4.44Å; Y228-P285 HydrophobicContact CE1-CB 3.9Å |
| 286 | R | 98.6 | Very high | 96.3 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 28% | 0.275 | 27% | 0.27 | S | S | . | . | trans | -129.4 | 158 | -177.9 | -65.9 | -179.5 | -59.4 | -68.7 | 1.9 | 111 | Y228 M284 | Y228-R286 WeakPolarHBondContact CB-O 3.29Å; Y228-R286 HydrophobicContact CD1-CB 4.31Å; Y228-R286 VanDerWaalsContact CD1-N 3.33Å; Y228-R286 VanDerWaalsContact CD1-O 3.27Å; Y228-R286 WeakPolarHBondContact CD1-O 3.34Å; Y228-R286 HydrophobicContact CG-CB 4.14Å; Y228-R286 PolarHBondContact N-O 2.8Å; M284-R286 PolarHBondContact O-NH1 3.03Å | ||
| 287 | V | 98.9 | Very high | 96.2 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 15% | 0.152 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -115.9 | 132.5 | 167.6 | 171.2 | 0 | 0 | 0 | 0 | 107.6 | V211 L214 Q215 Q225 E226 F289 | V211-V287 HydrophobicContact CG1-CG2 4.39Å; L214-V287 HydrophobicContact CB-CB 4.23Å; L214-V287 HydrophobicContact CB-CG2 3.65Å; Q215-V287 HydrophobicContact CG-CG1 3.96Å; Q215-V287 HydrophobicContact CG-CG2 4.32Å; Q225-V287 HydrophobicContact CB-CG1 3.61Å; Q225-V287 WeakPolarHBondContact O-CG1 3.41Å; E226-V287 CarbonylContact O-C 3.51Å; E226-V287 WeakPolarHBondContact O-CA 3.32Å; V287-F289 PolarHBondContact O-N 3.43Å |
| 288 | I | 98.9 | Very high | 96.1 | Very high | 41 Ų | 41 | 50.4 Ų | 50.4 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | trans | -74.6 | 117.4 | -177.9 | -55.9 | -55.2 | 0 | 0 | 0 | 108.9 | Q225 E226 C231 R290 | Q225-I288 PolarHBondContact OE1-O 3.12Å; E226-I288 PolarHBondContact O-N 2.86Å; C231-I288 HydrophobicContact CB-CG1 3.92Å; I288-R290 PolarHBondContact O-N 3.14Å | ||
| 289 | F | 98.9 | Very high | 96.1 | Very high | 20 Ų | 20 | 53.8 Ų | 53.8 | 9% | 0.088 | 27% | 0.272 | C | S | . | . | trans | -66.5 | 127.2 | 170.8 | 179.9 | -101.3 | 0 | 0 | 0 | 109.7 | V216 W217 V287 M291 E353 F356 G357 F360 | V216-F289 HydrophobicContact CB-CD2 4.26Å; V216-F289 HydrophobicContact CG1-CD2 4.41Å; V216-F289 HydrophobicContact CG1-CE2 4.17Å; V216-F289 HydrophobicContact CG2-CD2 3.93Å; V216-F289 HydrophobicContact CG2-CE2 4.46Å; W217-F289 HydrophobicContact CE3-CE2 4.3Å; W217-F289 AromaticContact CH2-CE2 3.48Å; W217-F289 HydrophobicContact CH2-CE2 3.48Å; W217-F289 VanDerWaalsContact CH2-CE2 3.48Å; W217-F289 AromaticContact CH2-CZ 3.76Å; W217-F289 HydrophobicContact CH2-CZ 3.76Å; W217-F289 AromaticContact CZ3-CD2 3.91Å; W217-F289 HydrophobicContact CZ3-CD2 3.91Å; W217-F289 AromaticContact CZ3-CE2 3.25Å; W217-F289 HydrophobicContact CZ3-CE2 3.25Å; W217-F289 AromaticContact CZ3-CZ 3.84Å; W217-F289 HydrophobicContact CZ3-CZ 3.84Å; V287-F289 PolarHBondContact O-N 3.43Å; F289-M291 HydrophobicContact CE1-CB 4.16Å; F289-M291 HydrophobicContact CE1-CG 3.81Å; F289-M291 HydrophobicContact CE1-SD 3.72Å; F289-M291 HydrophobicContact CZ-CB 4.08Å; F289-M291 HydrophobicContact CZ-CG 4.07Å; F289-M291 HydrophobicContact CZ-SD 3.68Å; F289-E353 HydrophobicContact CD1-CG 3.9Å; F289-E353 WeakPolarHBondContact CD1-O 3.48Å; F289-E353 HydrophobicContact CE1-CG 3.88Å; F289-F356 HydrophobicContact CE1-CB 3.94Å; F289-F356 HydrophobicContact CZ-CB 3.91Å; F289-G357 VanDerWaalsContact CD1-CA 3.44Å; F289-G357 VanDerWaalsContact CG-CA 3.48Å; F289-F360 AromaticContact CE2-CD2 3.83Å; F289-F360 HydrophobicContact CE2-CD2 3.83Å; F289-F360 HydrophobicContact CZ-CD2 4.09Å | ||
| 290 | R | 98.8 | Very high | 96.1 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | trans | -140.6 | 122.9 | 177.5 | -170.3 | 60.2 | 55.4 | -135 | 5.1 | 110.1 | H223 Q225 I288 S306 R311 E315 E353 | H223-R290 HydrophobicContact CB-CB 4.12Å; H223-R290 HydrophobicContact CB-CG 3.77Å; Q225-R290 PolarHBondContact NE2-O 3.25Å; Q225-R290 VanDerWaalsContact OE1-N 3.17Å; I288-R290 PolarHBondContact O-N 3.14Å; R290-S306 WeakPolarHBondContact CD-OG 3.44Å; R290-R311 VanDerWaalsContact NH1-NE 3.12Å; R290-E315 IonicContact CZ-OE1 3.59Å; R290-E315 VanDerWaalsContact CZ-OE1 3.26Å; R290-E315 IonicContact CZ-OE2 3.01Å; R290-E315 IonicContact NH1-OE1 3.53Å; R290-E315 PolarHBondContact NH1-OE1 3.06Å; R290-E315 IonicContact NH1-OE2 3.63Å; R290-E315 VanDerWaalsContact NH2-CD 3.34Å; R290-E315 IonicContact NH2-OE1 3.76Å; R290-E315 PolarHBondContact NH2-OE1 3.33Å; R290-E315 IonicContact NH2-OE2 3.03Å; R290-E315 PolarHBondContact NH2-OE2 3.48Å; R290-E353 IonicContact CZ-OE1 3.62Å; R290-E353 IonicContact NH1-OE1 3.39Å; R290-E353 PolarHBondContact NH1-OE1 3.42Å; R290-E353 IonicContact NH1-OE2 3.17Å; R290-E353 PolarHBondContact NH1-OE2 3.37Å | ||
| 291 | M | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -132.1 | -22.4 | 174.9 | 73.4 | 179.5 | -69.2 | 0 | 0 | 114.6 | W217 H223 F289 E353 F356 A394 M397 M398 R401 | W217-M291 HydrophobicContact CH2-CB 4.17Å; W217-M291 HydrophobicContact CZ3-CB 4.28Å; H223-M291 VanDerWaalsContact CD2-C 3.49Å; H223-M291 PolarHBondContact CD2-O 3.12Å; H223-M291 VanDerWaalsContact CD2-O 3.25Å; H223-M291 PolarHBondContact NE2-O 3.18Å; H223-M291 VanDerWaalsContact NE2-O 3.09Å; F289-M291 HydrophobicContact CE1-CB 4.16Å; F289-M291 HydrophobicContact CE1-CG 3.81Å; F289-M291 HydrophobicContact CE1-SD 3.72Å; F289-M291 HydrophobicContact CZ-CB 4.08Å; F289-M291 HydrophobicContact CZ-CG 4.07Å; F289-M291 HydrophobicContact CZ-SD 3.68Å; M291-E353 HydrophobicContact CG-CG 4.04Å; M291-E353 PolarHBondContact N-OE1 2.82Å; M291-F356 HydrophobicContact SD-CD2 4.45Å; M291-A394 HydrophobicContact CE-CB 3.77Å; M291-M397 HydrophobicContact CE-CB 4.16Å; M291-M397 HydrophobicContact CE-SD 4.48Å; M291-M397 WeakPolarHBondContact O-CE 3.49Å; M291-M398 HydrophobicContact CE-CG 3.96Å; M291-R401 PolarHBondContact O-NH1 2.78Å; M291-R401 PolarHBondContact O-NH2 2.66Å | ||
| 292 | F | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -112.6 | 149.8 | -179.6 | -64.1 | -54.9 | 0 | 0 | 0 | 113.7 | D296 M303 R311 Y349 V352 E353 V390 A394 M397 | F292-D296 VanDerWaalsContact CA-OD2 3.27Å; F292-D296 WeakPolarHBondContact CA-OD2 3.45Å; F292-D296 HydrophobicContact CD1-CB 3.92Å; F292-M303 HydrophobicContact CB-CE 3.77Å; F292-M303 HydrophobicContact CB-SD 3.89Å; F292-M303 HydrophobicContact CG-CE 4.45Å; F292-R311 PolarHBondContact O-NH2 2.92Å; F292-Y349 AromaticContact CD1-CD1 3.95Å; F292-Y349 HydrophobicContact CD1-CD1 3.95Å; F292-Y349 HydrophobicContact CD1-CE1 4.43Å; F292-Y349 HydrophobicContact CD2-CD1 4.04Å; F292-Y349 AromaticContact CE1-CD1 3.87Å; F292-Y349 HydrophobicContact CE1-CD1 3.87Å; F292-Y349 HydrophobicContact CE1-CE1 4.19Å; F292-Y349 AromaticContact CE2-CD1 3.99Å; F292-Y349 HydrophobicContact CE2-CD1 3.99Å; F292-Y349 HydrophobicContact CG-CD1 4.05Å; F292-Y349 AromaticContact CZ-CD1 3.9Å; F292-Y349 HydrophobicContact CZ-CD1 3.9Å; F292-Y349 HydrophobicContact CZ-CE1 4.47Å; F292-V352 HydrophobicContact CE2-CB 4.44Å; F292-V352 HydrophobicContact CE2-CG1 4.23Å; F292-V352 HydrophobicContact CZ-CG1 4.37Å; F292-E353 HydrophobicContact CD2-CB 3.75Å; F292-E353 HydrophobicContact CD2-CG 4.24Å; F292-E353 HydrophobicContact CE2-CB 4.03Å; F292-E353 PolarHBondContact N-OE1 3.28Å; F292-E353 VanDerWaalsContact N-OE1 3.1Å; F292-V390 HydrophobicContact CZ-CG1 4.39Å; F292-A394 HydrophobicContact CZ-CB 3.85Å; F292-M397 HydrophobicContact CD1-CE 3.75Å; F292-M397 HydrophobicContact CD1-SD 3.86Å; F292-M397 HydrophobicContact CE1-CE 4.03Å; F292-M397 HydrophobicContact CE1-SD 3.52Å; F292-M397 VanDerWaalsContact CE1-SD 3.52Å | ||
| 293 | D | 98.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 50.2 Ų | 50.2 | 23% | 0.225 | 27% | 0.273 | C | S | . | . | trans | -131.1 | -170 | 160.5 | 72.2 | 32.5 | 0 | 0 | 0 | 112.6 | H223 T295 D296 | H223-D293 IonicContact CE1-OD2 3.67Å; H223-D293 PolarHBondContact CE1-OD2 2.97Å; D293-T295 PolarHBondContact O-N 2.92Å; D293-T295 WeakPolarHBondContact OD1-CA 3.43Å; D293-T295 VanDerWaalsContact OD1-CB 3.26Å; D293-T295 WeakPolarHBondContact OD1-CB 3.39Å; D293-T295 WeakPolarHBondContact OD1-CG2 3.39Å; D293-T295 PolarHBondContact OD1-N 3.16Å; D293-T295 PolarHBondContact OD1-OG1 3.36Å; D293-D296 PolarHBondContact N-OD2 3.43Å; D293-D296 PolarHBondContact O-N 3.34Å | ||
| 294 | Y | 96.3 | Very high | 96.3 | Very high | 150 Ų | 150 | 49.7 Ų | 49.7 | 59% | 0.588 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -67.6 | -20.9 | -177.3 | 70 | -84.1 | 0 | 0 | 0 | 113.7 | D296 | Y294-D296 VanDerWaalsContact C-N 3.3Š|
| 295 | T | 97.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 50 Ų | 50 | 48% | 0.479 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -75.5 | -22.4 | 179.6 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | D293 A297 | D293-T295 PolarHBondContact O-N 2.92Å; D293-T295 WeakPolarHBondContact OD1-CA 3.43Å; D293-T295 VanDerWaalsContact OD1-CB 3.26Å; D293-T295 WeakPolarHBondContact OD1-CB 3.39Å; D293-T295 WeakPolarHBondContact OD1-CG2 3.39Å; D293-T295 PolarHBondContact OD1-N 3.16Å; D293-T295 PolarHBondContact OD1-OG1 3.36Å; T295-A297 VanDerWaalsContact C-N 3.29Å; T295-A297 PolarHBondContact O-N 3.36Å |
| 296 | D | 96.6 | Very high | 96.3 | Very high | 25 Ų | 25 | 51.1 Ų | 51.1 | 13% | 0.134 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -75.4 | -17.7 | 176.9 | -63.1 | -59 | 0 | 0 | 0 | 113.2 | F292 D293 Y294 P298 Y349 Q393 M397 | F292-D296 VanDerWaalsContact CA-OD2 3.27Å; F292-D296 WeakPolarHBondContact CA-OD2 3.45Å; F292-D296 HydrophobicContact CD1-CB 3.92Å; D293-D296 PolarHBondContact N-OD2 3.43Å; D293-D296 PolarHBondContact O-N 3.34Å; Y294-D296 VanDerWaalsContact C-N 3.3Å; D296-P298 VanDerWaalsContact C-CD 3.49Å; D296-Y349 HydrophobicContact CB-CE1 4.23Å; D296-Y349 WeakPolarHBondContact O-CE1 3.44Å; D296-Y349 PolarHBondContact O-OH 2.91Å; D296-Y349 VanDerWaalsContact O-OH 3.04Å; D296-Q393 PolarHBondContact O-NE2 3.15Å; D296-Q393 PolarHBondContact O-OE1 3.45Å; D296-M397 WeakPolarHBondContact OD1-CE 3.41Å |
| 297 | A | 93.3 | Very high | 96.3 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -128.6 | 59 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T295 E299 G300 P346 Y349 | T295-A297 VanDerWaalsContact C-N 3.29Å; T295-A297 PolarHBondContact O-N 3.36Å; A297-E299 PolarHBondContact O-N 3.2Å; A297-G300 PolarHBondContact O-N 2.86Å; A297-P346 HydrophobicContact CB-CB 4.3Å; A297-Y349 HydrophobicContact CB-CD1 4.38Å; A297-Y349 HydrophobicContact CB-CD2 3.91Å; A297-Y349 HydrophobicContact CB-CE1 4.1Å; A297-Y349 HydrophobicContact CB-CE2 3.59Å; A297-Y349 HydrophobicContact CB-CG 4.3Å |
| 298 | P | 90.8 | Very high | 96.3 | Very high | 107 Ų | 107 | 50.5 Ų | 50.5 | 70% | 0.695 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -28.4 | -166.7 | 27.4 | -35.2 | 0 | 0 | 0 | 114.4 | D296 | D296-P298 VanDerWaalsContact C-CD 3.49Š|
| 299 | E | 88.6 | Confident | 96.3 | Very high | 198 Ų | 198 | 48.8 Ų | 48.8 | 93% | 0.925 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -4.9 | -177.1 | -61.2 | -175.4 | 171.8 | 0 | 0 | 113.5 | A297 | A297-E299 PolarHBondContact O-N 3.2Š|
| 300 | G | 88.9 | Confident | 96.3 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -102 | -175.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A297 | A297-G300 PolarHBondContact O-N 2.86Š|
| 301 | P | 93.9 | Very high | 96.3 | Very high | 48 Ų | 48 | 48.8 Ų | 48.8 | 31% | 0.312 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -56 | 140.5 | 165 | -18.5 | 31 | 0 | 0 | 0 | 110.4 | M303 K344 P346 | P301-M303 PolarHBondContact O-N 3.08Å; P301-K344 HydrophobicContact CB-CB 4.01Å; P301-K344 WeakPolarHBondContact CB-O 3.22Å; P301-K344 HydrophobicContact CG-CB 3.82Å; P301-P346 WeakPolarHBondContact O-CD 3.4Å |
| 302 | V | 96 | Very high | 96.3 | Very high | 116 Ų | 116 | 49.6 Ų | 49.6 | 70% | 0.703 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -61 | 127.5 | -179.4 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 303 | M | 97.7 | Very high | 96.3 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -68 | 131 | 175.5 | -169.8 | 177.2 | -74.1 | 0 | 0 | 110.7 | F292 P301 G305 R311 P346 Y349 | F292-M303 HydrophobicContact CB-CE 3.77Å; F292-M303 HydrophobicContact CB-SD 3.89Å; F292-M303 HydrophobicContact CG-CE 4.45Å; P301-M303 PolarHBondContact O-N 3.08Å; M303-G305 PolarHBondContact O-N 3.42Å; M303-R311 PolarHBondContact SD-NH1 3.31Å; M303-R311 VanDerWaalsContact SD-NH1 3.37Å; M303-P346 HydrophobicContact CB-CG 3.77Å; M303-P346 HydrophobicContact CE-CG 3.99Å; M303-P346 HydrophobicContact CG-CG 4.07Å; M303-Y349 VanDerWaalsContact CE-CB 3.49Å; M303-Y349 HydrophobicContact CE-CD1 4.33Å; M303-Y349 HydrophobicContact CE-CG 4.07Å |
| 304 | P | 97.9 | Very high | 96.3 | Very high | 23 Ų | 23 | 47.8 Ų | 47.8 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 129.4 | 169.3 | -23.7 | 34.9 | 0 | 0 | 0 | 111.4 | S308 E310 R311 I314 I345 | P304-S308 VanDerWaalsContact CB-OG 3.28Å; P304-S308 WeakPolarHBondContact CB-OG 3.43Å; P304-E310 HydrophobicContact CB-CB 3.87Å; P304-E310 HydrophobicContact CG-CB 4.04Å; P304-R311 HydrophobicContact CB-CB 4.28Å; P304-R311 PolarHBondContact O-NH1 3.08Å; P304-I314 HydrophobicContact CG-CD1 3.88Å; P304-I345 HydrophobicContact CG-CG2 4.45Å |
| 305 | G | 97.8 | Very high | 96.4 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 41% | 0.412 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 159.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | M303 H307 S308 R311 | M303-G305 PolarHBondContact O-N 3.42Å; G305-H307 VanDerWaalsContact C-N 3.25Å; G305-H307 PolarHBondContact O-N 3.33Å; G305-H307 VanDerWaalsContact O-N 3.16Å; G305-S308 PolarHBondContact N-OG 3.08Å; G305-S308 WeakPolarHBondContact O-CB 3.33Å; G305-S308 PolarHBondContact O-N 3.38Å; G305-S308 PolarHBondContact O-OG 3.4Å; G305-R311 WeakPolarHBondContact O-CB 3.3Å |
| 306 | S | 98 | Very high | 96.4 | Very high | 27 Ų | 27 | 38.9 Ų | 38.9 | 19% | 0.189 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -37.4 | -174.7 | -52.9 | 0 | 0 | 0 | 0 | 114.1 | Q235 R290 S308 | Q235-S306 PolarHBondContact NE2-O 3.24Å; R290-S306 WeakPolarHBondContact CD-OG 3.44Å; S306-S308 VanDerWaalsContact C-N 3.34Å; S306-S308 PolarHBondContact O-N 3.45Å |
| 307 | H | 98.6 | Very high | 96.5 | Very high | 77 Ų | 77 | 38.4 Ų | 38.4 | 36% | 0.356 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 22.7 | 178.2 | -59.8 | 152.2 | 0 | 0 | 0 | 113.9 | E226 A234 Q235 K238 G305 | E226-H307 IonicContact OE1-CD2 3.5Å; E226-H307 IonicContact OE1-CE1 3.95Å; E226-H307 IonicContact OE1-NE2 2.64Å; E226-H307 PolarHBondContact OE1-NE2 2.93Å; E226-H307 IonicContact OE2-CD2 2.74Å; E226-H307 IonicContact OE2-CE1 3.1Å; E226-H307 IonicContact OE2-NE2 2.94Å; E226-H307 PolarHBondContact OE2-NE2 3.36Å; A234-H307 HydrophobicContact CB-CB 4.3Å; Q235-H307 WeakPolarHBondContact CA-O 3.09Å; Q235-H307 VanDerWaalsContact CG-C 3.49Å; K238-H307 WeakPolarHBondContact CD-O 3.42Å; G305-H307 VanDerWaalsContact C-N 3.25Å; G305-H307 PolarHBondContact O-N 3.33Å; G305-H307 VanDerWaalsContact O-N 3.16Å |
| 308 | S | 98.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -97.2 | 142.5 | 170.5 | 69.2 | 0 | 0 | 0 | 0 | 111.3 | P304 G305 S306 E310 R311 F312 | P304-S308 VanDerWaalsContact CB-OG 3.28Å; P304-S308 WeakPolarHBondContact CB-OG 3.43Å; G305-S308 PolarHBondContact N-OG 3.08Å; G305-S308 WeakPolarHBondContact O-CB 3.33Å; G305-S308 PolarHBondContact O-N 3.38Å; G305-S308 PolarHBondContact O-OG 3.4Å; S306-S308 VanDerWaalsContact C-N 3.34Å; S306-S308 PolarHBondContact O-N 3.45Å; S308-E310 WeakPolarHBondContact CB-OE2 3.48Å; S308-E310 PolarHBondContact O-N 3.32Å; S308-R311 WeakPolarHBondContact O-CB 3.27Å; S308-R311 PolarHBondContact O-N 3.16Å; S308-R311 PolarHBondContact OG-N 3.16Å; S308-F312 PolarHBondContact O-N 3.09Å |
| 309 | V | 98.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.7 | -24 | 175.3 | -68.4 | 0 | 0 | 0 | 0 | 111.9 | P178 Q235 I236 L239 E246 R311 F312 V313 | P178-V309 HydrophobicContact CB-CB 4.43Å; P178-V309 HydrophobicContact CG-CB 4.24Å; P178-V309 HydrophobicContact CG-CG1 4.21Å; Q235-V309 HydrophobicContact CB-CG1 3.93Å; Q235-V309 WeakPolarHBondContact O-CG1 3.34Å; I236-V309 HydrophobicContact CD1-CG1 3.97Å; L239-V309 HydrophobicContact CB-CG1 3.81Å; L239-V309 HydrophobicContact CB-CG2 4.21Å; L239-V309 HydrophobicContact CD1-CG2 3.94Å; L239-V309 HydrophobicContact CD2-CG1 3.99Å; L239-V309 HydrophobicContact CD2-CG2 4.18Å; L239-V309 HydrophobicContact CG-CG1 4.41Å; L239-V309 HydrophobicContact CG-CG2 4.32Å; E246-V309 HydrophobicContact CB-CG2 3.86Å; V309-R311 VanDerWaalsContact C-N 3.32Å; V309-R311 PolarHBondContact O-N 3.06Å; V309-F312 WeakPolarHBondContact O-CB 3.22Å; V309-F312 PolarHBondContact O-N 3.14Å; V309-V313 WeakPolarHBondContact O-CB 3.5Å; V309-V313 VanDerWaalsContact O-CG2 3.26Å; V309-V313 WeakPolarHBondContact O-CG2 3.34Å; V309-V313 PolarHBondContact O-N 3.12Å |
| 310 | E | 98.6 | Very high | 97.6 | Very high | 27 Ų | 27 | 26.7 Ų | 26.7 | 13% | 0.126 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 172.1 | -66.9 | 84.8 | 171.1 | 0 | 0 | 111 | E246 R247 H248 P304 S308 F312 V313 I314 | E246-E310 WeakPolarHBondContact CA-OE1 3.48Å; R247-E310 HydrophobicContact CB-CG 4.38Å; R247-E310 PolarHBondContact N-OE1 2.86Å; H248-E310 HydrophobicContact CB-CB 4.08Å; H248-E310 HydrophobicContact CB-CG 3.68Å; P304-E310 HydrophobicContact CB-CB 3.87Å; P304-E310 HydrophobicContact CG-CB 4.04Å; S308-E310 WeakPolarHBondContact CB-OE2 3.48Å; S308-E310 PolarHBondContact O-N 3.32Å; E310-F312 VanDerWaalsContact C-N 3.34Å; E310-F312 PolarHBondContact O-N 2.83Å; E310-V313 PolarHBondContact O-N 2.99Å; E310-I314 WeakPolarHBondContact O-CB 3.43Å; E310-I314 VanDerWaalsContact O-CD1 3.28Å; E310-I314 WeakPolarHBondContact O-CD1 3.46Å; E310-I314 WeakPolarHBondContact O-CG1 3.45Å; E310-I314 PolarHBondContact O-N 2.85Å |
| 311 | R | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 176.6 | -172 | 60.4 | 164.2 | -87.8 | 1.3 | 111.2 | R290 F292 M303 P304 G305 S308 V309 I314 E315 E353 | R290-R311 VanDerWaalsContact NH1-NE 3.12Å; F292-R311 PolarHBondContact O-NH2 2.92Å; M303-R311 PolarHBondContact SD-NH1 3.31Å; M303-R311 VanDerWaalsContact SD-NH1 3.37Å; P304-R311 HydrophobicContact CB-CB 4.28Å; P304-R311 PolarHBondContact O-NH1 3.08Å; G305-R311 WeakPolarHBondContact O-CB 3.3Å; S308-R311 WeakPolarHBondContact O-CB 3.27Å; S308-R311 PolarHBondContact O-N 3.16Å; S308-R311 PolarHBondContact OG-N 3.16Å; V309-R311 VanDerWaalsContact C-N 3.32Å; V309-R311 PolarHBondContact O-N 3.06Å; R311-I314 PolarHBondContact O-N 3.19Å; R311-E315 VanDerWaalsContact CD-OE1 3.29Å; R311-E315 WeakPolarHBondContact CD-OE1 3.28Å; R311-E315 IonicContact CZ-OE1 2.95Å; R311-E315 IonicContact NE-OE1 2.74Å; R311-E315 PolarHBondContact NE-OE1 3.02Å; R311-E315 WeakPolarHBondContact O-CG 3.34Å; R311-E315 PolarHBondContact O-N 3.33Å; R311-E315 VanDerWaalsContact O-N 3.1Å; R311-E353 IonicContact CZ-OE2 2.79Å; R311-E353 IonicContact NE-OE2 2.7Å; R311-E353 VanDerWaalsContact NH2-CD 3.25Å; R311-E353 IonicContact NH2-OE1 3.38Å; R311-E353 PolarHBondContact NH2-OE1 3.21Å; R311-E353 VanDerWaalsContact NH2-OE1 3.1Å; R311-E353 IonicContact NH2-OE2 3.44Å; R311-E353 PolarHBondContact NH2-OE2 2.99Å |
| 312 | F | 98.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 23 Ų | 23 | 8% | 0.079 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -51.5 | 176 | 172.2 | -101.8 | 0 | 0 | 0 | 112.8 | Y171 P178 W179 L232 S308 V309 E310 I314 E315 D316 | Y171-F312 HydrophobicContact CE2-CE2 4.42Å; P178-F312 HydrophobicContact CG-CD1 4.37Å; W179-F312 HydrophobicContact CZ3-CE1 4.32Å; L232-F312 HydrophobicContact CD1-CD1 4.33Å; L232-F312 HydrophobicContact CD1-CD2 4.09Å; L232-F312 HydrophobicContact CD1-CE1 4.37Å; L232-F312 HydrophobicContact CD1-CE2 4.12Å; L232-F312 HydrophobicContact CD1-CG 4.21Å; L232-F312 HydrophobicContact CD1-CZ 4.27Å; S308-F312 PolarHBondContact O-N 3.09Å; V309-F312 WeakPolarHBondContact O-CB 3.22Å; V309-F312 PolarHBondContact O-N 3.14Å; E310-F312 VanDerWaalsContact C-N 3.34Å; E310-F312 PolarHBondContact O-N 2.83Å; F312-I314 PolarHBondContact O-N 3.36Å; F312-E315 PolarHBondContact O-N 2.88Å; F312-D316 VanDerWaalsContact O-CB 3.3Å; F312-D316 WeakPolarHBondContact O-CB 3.46Å; F312-D316 PolarHBondContact O-N 3.31Å |
| 313 | V | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.3 | -37.6 | -177.2 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | P178 W179 I249 V309 E310 N317 | P178-V313 HydrophobicContact CB-CG2 3.91Å; P178-V313 HydrophobicContact CG-CG2 4.36Å; W179-V313 HydrophobicContact CH2-CG1 4.3Å; W179-V313 HydrophobicContact CH2-CG2 3.84Å; W179-V313 HydrophobicContact CZ2-CG1 4.09Å; W179-V313 HydrophobicContact CZ2-CG2 4.28Å; W179-V313 HydrophobicContact CZ3-CG2 4.19Å; I249-V313 HydrophobicContact CD1-CG2 4.22Å; I249-V313 HydrophobicContact CG1-CG1 3.88Å; I249-V313 HydrophobicContact CG1-CG2 4.34Å; V309-V313 WeakPolarHBondContact O-CB 3.5Å; V309-V313 VanDerWaalsContact O-CG2 3.26Å; V309-V313 WeakPolarHBondContact O-CG2 3.34Å; V309-V313 PolarHBondContact O-N 3.12Å; E310-V313 PolarHBondContact O-N 2.99Å; V313-N317 WeakPolarHBondContact CG1-ND2 3.35Å; V313-N317 WeakPolarHBondContact O-CB 3.49Å; V313-N317 VanDerWaalsContact O-CG 3.27Å; V313-N317 PolarHBondContact O-N 3.16Å; V313-N317 VanDerWaalsContact O-N 3.12Å; V313-N317 PolarHBondContact O-ND2 2.98Å |
| 314 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.1 | -51.8 | 175.7 | -69.7 | 160.8 | 0 | 0 | 0 | 109.6 | H248 P304 E310 R311 F312 N317 L318 Y339 I345 H350 | H248-I314 VanDerWaalsContact NE2-CG1 3.28Å; H248-I314 WeakPolarHBondContact NE2-CG1 3.5Å; P304-I314 HydrophobicContact CG-CD1 3.88Å; E310-I314 WeakPolarHBondContact O-CB 3.43Å; E310-I314 VanDerWaalsContact O-CD1 3.28Å; E310-I314 WeakPolarHBondContact O-CD1 3.46Å; E310-I314 WeakPolarHBondContact O-CG1 3.45Å; E310-I314 PolarHBondContact O-N 2.85Å; R311-I314 PolarHBondContact O-N 3.19Å; F312-I314 PolarHBondContact O-N 3.36Å; I314-N317 PolarHBondContact O-N 3.19Å; I314-L318 HydrophobicContact CG2-CD1 3.83Å; I314-L318 HydrophobicContact CG2-CG 4.43Å; I314-L318 VanDerWaalsContact O-CG 3.28Å; I314-L318 WeakPolarHBondContact O-CG 3.34Å; I314-L318 PolarHBondContact O-N 2.83Å; I314-Y339 HydrophobicContact CG1-CE1 4.32Å; I314-Y339 HydrophobicContact CG2-CE1 4.28Å; I314-I345 HydrophobicContact CD1-CD1 3.81Å; I314-I345 HydrophobicContact CD1-CG2 3.97Å; I314-I345 HydrophobicContact CG1-CD1 4Å; I314-I345 HydrophobicContact CG2-CD1 4.07Å; I314-H350 HydrophobicContact CG2-CB 3.93Å |
| 315 | E | 98.7 | Very high | 98.1 | Very high | 21 Ų | 21 | 24.4 Ų | 24.4 | 10% | 0.098 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.1 | -46.8 | -177 | -70 | 172.9 | 177.2 | 0 | 0 | 111.9 | R290 R311 F312 N317 L318 H319 V354 | R290-E315 IonicContact CZ-OE1 3.59Å; R290-E315 VanDerWaalsContact CZ-OE1 3.26Å; R290-E315 IonicContact CZ-OE2 3.01Å; R290-E315 IonicContact NH1-OE1 3.53Å; R290-E315 PolarHBondContact NH1-OE1 3.06Å; R290-E315 IonicContact NH1-OE2 3.63Å; R290-E315 VanDerWaalsContact NH2-CD 3.34Å; R290-E315 IonicContact NH2-OE1 3.76Å; R290-E315 PolarHBondContact NH2-OE1 3.33Å; R290-E315 IonicContact NH2-OE2 3.03Å; R290-E315 PolarHBondContact NH2-OE2 3.48Å; R311-E315 VanDerWaalsContact CD-OE1 3.29Å; R311-E315 WeakPolarHBondContact CD-OE1 3.28Å; R311-E315 IonicContact CZ-OE1 2.95Å; R311-E315 IonicContact NE-OE1 2.74Å; R311-E315 PolarHBondContact NE-OE1 3.02Å; R311-E315 WeakPolarHBondContact O-CG 3.34Å; R311-E315 PolarHBondContact O-N 3.33Å; R311-E315 VanDerWaalsContact O-N 3.1Å; F312-E315 PolarHBondContact O-N 2.88Å; E315-N317 VanDerWaalsContact C-N 3.3Å; E315-N317 PolarHBondContact O-N 3.33Å; E315-L318 PolarHBondContact O-N 3.2Å; E315-H319 WeakPolarHBondContact O-CB 3.48Å; E315-H319 PolarHBondContact O-CD2 3.18Å; E315-H319 PolarHBondContact O-N 3.14Å; E315-V354 HydrophobicContact CB-CG2 4.13Å; E315-V354 HydrophobicContact CG-CG2 3.85Å |
| 316 | D | 98.1 | Very high | 98.1 | Very high | 20 Ų | 20 | 26.9 Ų | 26.9 | 11% | 0.107 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57 | -43.4 | 177.9 | -173 | 107.5 | 0 | 0 | 0 | 111.2 | R129 F312 N320 | R129-D316 IonicContact CZ-OD1 3.74Å; R129-D316 IonicContact CZ-OD2 3.56Å; R129-D316 IonicContact NH1-OD1 2.91Å; R129-D316 PolarHBondContact NH1-OD1 2.92Å; R129-D316 IonicContact NH1-OD2 2.66Å; R129-D316 PolarHBondContact NH1-OD2 3.38Å; R129-D316 IonicContact NH2-OD1 3.84Å; R129-D316 PolarHBondContact NH2-OD1 3.37Å; F312-D316 VanDerWaalsContact O-CB 3.3Å; F312-D316 WeakPolarHBondContact O-CB 3.46Å; F312-D316 PolarHBondContact O-N 3.31Å; D316-N320 PolarHBondContact O-N 3.01Å; D316-N320 PolarHBondContact O-ND2 3.36Å; D316-N320 PolarHBondContact OD2-ND2 3.44Å |
| 317 | N | 98.1 | Very high | 98.1 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 9% | 0.086 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.5 | -41 | 176.9 | -74.1 | -44.5 | 0 | 0 | 0 | 113.4 | V313 I314 E315 N320 I321 Y339 | V313-N317 WeakPolarHBondContact CG1-ND2 3.35Å; V313-N317 WeakPolarHBondContact O-CB 3.49Å; V313-N317 VanDerWaalsContact O-CG 3.27Å; V313-N317 PolarHBondContact O-N 3.16Å; V313-N317 VanDerWaalsContact O-N 3.12Å; V313-N317 PolarHBondContact O-ND2 2.98Å; I314-N317 PolarHBondContact O-N 3.19Å; E315-N317 VanDerWaalsContact C-N 3.3Å; E315-N317 PolarHBondContact O-N 3.33Å; N317-N320 PolarHBondContact O-N 3.42Å; N317-I321 WeakPolarHBondContact O-CG1 3.36Å; N317-I321 PolarHBondContact O-N 3.15Å; N317-Y339 HydrophobicContact CB-CE2 3.55Å; N317-Y339 PolarHBondContact ND2-OH 3.36Å |
| 318 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66 | -39.5 | 178.2 | -67.5 | 174.9 | 0 | 0 | 0 | 111.2 | I314 E315 N320 I321 I322 L336 Y339 L347 H350 I351 V354 | I314-L318 HydrophobicContact CG2-CD1 3.83Å; I314-L318 HydrophobicContact CG2-CG 4.43Å; I314-L318 VanDerWaalsContact O-CG 3.28Å; I314-L318 WeakPolarHBondContact O-CG 3.34Å; I314-L318 PolarHBondContact O-N 2.83Å; E315-L318 PolarHBondContact O-N 3.2Å; L318-N320 VanDerWaalsContact C-N 3.34Å; L318-I321 HydrophobicContact CD2-CD1 4.38Å; L318-I321 PolarHBondContact O-N 3.41Å; L318-I322 WeakPolarHBondContact O-CG1 3.37Å; L318-I322 PolarHBondContact O-N 2.94Å; L318-L336 HydrophobicContact CB-CD2 4.18Å; L318-L336 HydrophobicContact CD2-CD2 3.65Å; L318-L336 HydrophobicContact CG-CD2 4.48Å; L318-Y339 HydrophobicContact CD2-CD1 4.19Å; L318-Y339 HydrophobicContact CD2-CD2 4.31Å; L318-Y339 HydrophobicContact CD2-CG 3.91Å; L318-L347 HydrophobicContact CD2-CD1 4.34Å; L318-H350 HydrophobicContact CD1-CB 3.79Å; L318-I351 HydrophobicContact CD1-CG1 4.36Å; L318-I351 HydrophobicContact CD2-CG1 4.36Å; L318-V354 HydrophobicContact CB-CB 4.36Å; L318-V354 HydrophobicContact CB-CG1 3.97Å; L318-V354 HydrophobicContact CB-CG2 4.03Å; L318-V354 HydrophobicContact CD1-CG2 3.99Å |
| 319 | H | 98.6 | Very high | 98 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 27% | 0.269 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 169.9 | -77.6 | -60.6 | 0 | 0 | 0 | 111.7 | E315 I321 I322 K323 E358 | E315-H319 WeakPolarHBondContact O-CB 3.48Å; E315-H319 PolarHBondContact O-CD2 3.18Å; E315-H319 PolarHBondContact O-N 3.14Å; H319-I321 PolarHBondContact O-N 2.9Å; H319-I322 PolarHBondContact O-N 3.08Å; H319-K323 WeakPolarHBondContact O-CB 3.43Å; H319-K323 PolarHBondContact O-N 3.32Å; H319-E358 WeakPolarHBondContact CE1-CG 3.36Å; H319-E358 IonicContact CE1-OE1 3.57Å; H319-E358 IonicContact CG-OE1 2.93Å; H319-E358 WeakPolarHBondContact ND1-CG 3.44Å; H319-E358 IonicContact ND1-OE1 3.43Å; H319-E358 PolarHBondContact ND1-OE1 3Å |
| 320 | N | 97.8 | Very high | 98 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 177.7 | -67.1 | -32.6 | 0 | 0 | 0 | 112.2 | P80 E81 Y126 D316 N317 L318 I322 K323 S324 | P80-N320 HydrophobicContact CG-CB 3.9Å; E81-N320 HydrophobicContact CB-CB 4.27Å; Y126-N320 PolarHBondContact OH-OD1 3.18Å; D316-N320 PolarHBondContact O-N 3.01Å; D316-N320 PolarHBondContact O-ND2 3.36Å; D316-N320 PolarHBondContact OD2-ND2 3.44Å; N317-N320 PolarHBondContact O-N 3.42Å; L318-N320 VanDerWaalsContact C-N 3.34Å; N320-I322 PolarHBondContact O-N 3.45Å; N320-K323 WeakPolarHBondContact O-CB 3.43Å; N320-K323 PolarHBondContact O-N 3Å; N320-S324 PolarHBondContact O-N 3.41Å; N320-S324 PolarHBondContact O-OG 2.86Å |
| 321 | I | 97.8 | Very high | 98 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.046 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -45.1 | 174.2 | -72.1 | 166.5 | 0 | 0 | 0 | 111.1 | E81 N317 L318 H319 S324 H325 Q335 L336 Y339 | E81-I321 HydrophobicContact CB-CG1 4.02Å; E81-I321 HydrophobicContact CG-CG1 3.96Å; N317-I321 WeakPolarHBondContact O-CG1 3.36Å; N317-I321 PolarHBondContact O-N 3.15Å; L318-I321 HydrophobicContact CD2-CD1 4.38Å; L318-I321 PolarHBondContact O-N 3.41Å; H319-I321 PolarHBondContact O-N 2.9Å; I321-S324 PolarHBondContact O-N 3.04Å; I321-H325 PolarHBondContact O-CD2 3.36Å; I321-H325 VanDerWaalsContact O-CD2 3.28Å; I321-H325 PolarHBondContact O-N 3.02Å; I321-H325 VanDerWaalsContact O-N 3.12Å; I321-Q335 HydrophobicContact CG2-CB 3.65Å; I321-L336 HydrophobicContact CB-CD2 4.19Å; I321-L336 HydrophobicContact CG2-CD2 3.8Å; I321-L336 HydrophobicContact CG2-CG 3.9Å; I321-Y339 HydrophobicContact CD1-CD2 3.79Å |
| 322 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -48.6 | 176 | -65.7 | 171.1 | 0 | 0 | 0 | 109.6 | L318 H319 N320 S324 H325 W326 L336 V354 I355 M371 L375 | L318-I322 WeakPolarHBondContact O-CG1 3.37Å; L318-I322 PolarHBondContact O-N 2.94Å; H319-I322 PolarHBondContact O-N 3.08Å; N320-I322 PolarHBondContact O-N 3.45Å; I322-S324 VanDerWaalsContact C-N 3.28Å; I322-S324 PolarHBondContact O-N 2.87Å; I322-H325 CarbonylContact O-C 3.38Å; I322-H325 PolarHBondContact O-N 3.4Å; I322-W326 HydrophobicContact CG2-CB 4.49Å; I322-W326 WeakPolarHBondContact O-CA 3.24Å; I322-W326 WeakPolarHBondContact O-CB 3.43Å; I322-W326 PolarHBondContact O-N 3.33Å; I322-L336 HydrophobicContact CG1-CD1 4.11Å; I322-L336 HydrophobicContact CG1-CD2 4.08Å; I322-V354 HydrophobicContact CD1-CG1 3.9Å; I322-I355 HydrophobicContact CD1-CG1 4.12Å; I322-M371 HydrophobicContact CG2-CE 3.84Å; I322-L375 HydrophobicContact CG1-CD2 4.47Å |
| 323 | K | 96.9 | Very high | 97.9 | Very high | 86 Ų | 86 | 47.6 Ų | 47.6 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -55.9 | -39.8 | 178.1 | -177.6 | -178.4 | 173.8 | -176.5 | 0 | 112.9 | Y126 H319 N320 | Y126-K323 PolarHBondContact OH-NZ 3.38Å; H319-K323 WeakPolarHBondContact O-CB 3.43Å; H319-K323 PolarHBondContact O-N 3.32Å; N320-K323 WeakPolarHBondContact O-CB 3.43Å; N320-K323 PolarHBondContact O-N 3Å |
| 324 | S | 95.2 | Very high | 97.9 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 30% | 0.301 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.9 | -30.6 | 177.9 | -67.7 | 0 | 0 | 0 | 0 | 113 | E81 N320 I321 I322 | E81-S324 PolarHBondContact OE1-OG 3.09Å; N320-S324 PolarHBondContact O-N 3.41Å; N320-S324 PolarHBondContact O-OG 2.86Å; I321-S324 PolarHBondContact O-N 3.04Å; I322-S324 VanDerWaalsContact C-N 3.28Å; I322-S324 PolarHBondContact O-N 2.87Å |
| 325 | H | 96.6 | Very high | 97.8 | Very high | 47 Ų | 47 | 53 Ų | 53 | 22% | 0.218 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -125.6 | 7.1 | -166.8 | -58.3 | -58.6 | 0 | 0 | 0 | 116 | I321 I322 K327 E328 C332 | I321-H325 PolarHBondContact O-CD2 3.36Å; I321-H325 VanDerWaalsContact O-CD2 3.28Å; I321-H325 PolarHBondContact O-N 3.02Å; I321-H325 VanDerWaalsContact O-N 3.12Å; I322-H325 CarbonylContact O-C 3.38Å; I322-H325 PolarHBondContact O-N 3.4Å; H325-K327 PolarHBondContact O-N 3.4Å; H325-E328 CarbonylContact O-C 3.51Å; H325-E328 PolarHBondContact O-N 3.15Å; H325-C332 HydrophobicContact CB-CB 3.75Å; H325-C332 WeakPolarHBondContact O-CB 3.22Å |
| 326 | W | 97.7 | Very high | 97.8 | Very high | 92 Ų | 92 | 52 Ų | 52 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28.1 | -172.4 | 72.3 | -90.5 | 0 | 0 | 0 | 114.9 | I322 E328 H367 M371 | I322-W326 HydrophobicContact CG2-CB 4.49Å; I322-W326 WeakPolarHBondContact O-CA 3.24Å; I322-W326 WeakPolarHBondContact O-CB 3.43Å; I322-W326 PolarHBondContact O-N 3.33Å; W326-E328 VanDerWaalsContact C-N 3.32Å; W326-H367 AromaticContact CD1-CE1 3.4Å; W326-H367 AromaticContact CD1-ND1 3.73Å; W326-H367 AromaticContact CD1-NE2 3.91Å; W326-H367 AromaticContact CD2-ND1 3.83Å; W326-H367 AromaticContact CG-CE1 3.66Å; W326-H367 AromaticContact CG-CG 3.94Å; W326-H367 AromaticContact CG-ND1 3.64Å; W326-H367 AromaticContact CG-NE2 3.96Å; W326-H367 AromaticContact NE1-CE1 3.84Å; W326-H367 AromaticContact NE1-ND1 3.94Å; W326-M371 HydrophobicContact CB-CE 4.11Å |
| 327 | K | 98.1 | Very high | 97.8 | Very high | 158 Ų | 158 | 52.9 Ų | 52.9 | 69% | 0.687 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -27.8 | 177.6 | -62 | -178.3 | -177.3 | 174.8 | 0 | 112.6 | H325 | H325-K327 PolarHBondContact O-N 3.4Š|
| 328 | E | 98 | Very high | 97.7 | Very high | 125 Ų | 125 | 54.2 Ų | 54.2 | 58% | 0.584 | 26% | 0.262 | S | S | * | . | trans | -115.4 | 75.9 | -172.7 | -67.6 | -62.4 | 160.3 | 0 | 0 | 110.5 | H325 W326 K330 T331 C332 | H325-E328 CarbonylContact O-C 3.51Å; H325-E328 PolarHBondContact O-N 3.15Å; W326-E328 VanDerWaalsContact C-N 3.32Å; E328-K330 PolarHBondContact O-N 3.47Å; E328-T331 WeakPolarHBondContact O-CA 3.45Å; E328-T331 WeakPolarHBondContact O-CB 3.5Å; E328-T331 PolarHBondContact O-N 2.93Å; E328-C332 PolarHBondContact O-N 3.29Å | ||
| 329 | R | 97.6 | Very high | 97.5 | Very high | 113 Ų | 113 | 55.4 Ų | 55.4 | 43% | 0.426 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -50.6 | -34.6 | -170.5 | 65.3 | 173.3 | -167.2 | -128.9 | -1.9 | 115.7 | A333 E378 | R329-A333 WeakPolarHBondContact O-CB 3.25Å; R329-A333 PolarHBondContact O-N 2.84Å; R329-E378 HydrophobicContact CB-CG 4.3Å; R329-E378 HydrophobicContact CG-CG 3.84Å; R329-E378 IonicContact CZ-OE1 3.65Å; R329-E378 IonicContact NE-OE1 3.84Å; R329-E378 PolarHBondContact NE-OE1 2.84Å; R329-E378 IonicContact NH2-OE1 2.69Å; R329-E378 PolarHBondContact NH2-OE1 2.92Å |
| 330 | K | 98.4 | Very high | 97.1 | Very high | 140 Ų | 140 | 56.5 Ų | 56.5 | 61% | 0.609 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.7 | -43.7 | 177.6 | -71.7 | -176 | 177.8 | -179.5 | 0 | 111.6 | E328 A334 E378 | E328-K330 PolarHBondContact O-N 3.47Å; K330-A334 WeakPolarHBondContact O-CB 3.24Å; K330-A334 PolarHBondContact O-N 3.26Å; K330-E378 HydrophobicContact CG-CG 4.47Å |
| 331 | T | 97.6 | Very high | 96.4 | Very high | 60 Ų | 60 | 57.6 Ų | 57.6 | 37% | 0.368 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 175.6 | -55 | 0 | 0 | 0 | 0 | 109.9 | E328 A333 A334 Q335 | E328-T331 WeakPolarHBondContact O-CA 3.45Å; E328-T331 WeakPolarHBondContact O-CB 3.5Å; E328-T331 PolarHBondContact O-N 2.93Å; T331-A333 PolarHBondContact O-N 3.38Å; T331-A334 PolarHBondContact O-N 3.44Å; T331-Q335 HydrophobicContact CG2-CG 4.21Å; T331-Q335 WeakPolarHBondContact O-CB 3.35Å; T331-Q335 VanDerWaalsContact O-CG 3.25Å; T331-Q335 WeakPolarHBondContact O-CG 3.38Å; T331-Q335 PolarHBondContact O-N 3.16Å |
| 332 | C | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.6 | -51.3 | 175.9 | -170 | 0 | 0 | 0 | 0 | 111.8 | H325 E328 A334 Q335 L336 L375 | H325-C332 HydrophobicContact CB-CB 3.75Å; H325-C332 WeakPolarHBondContact O-CB 3.22Å; E328-C332 PolarHBondContact O-N 3.29Å; C332-A334 VanDerWaalsContact C-N 3.34Å; C332-A334 PolarHBondContact O-N 3.49Å; C332-Q335 PolarHBondContact O-N 2.92Å; C332-L336 WeakPolarHBondContact O-CG 3.23Å; C332-L336 PolarHBondContact O-N 2.78Å; C332-L375 HydrophobicContact CB-CD1 3.92Å |
| 333 | A | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R329 T331 L337 L375 E378 L379 L382 | R329-A333 WeakPolarHBondContact O-CB 3.25Å; R329-A333 PolarHBondContact O-N 2.84Å; T331-A333 PolarHBondContact O-N 3.38Å; A333-L337 WeakPolarHBondContact O-CB 3.36Å; A333-L337 VanDerWaalsContact O-CG 3.3Å; A333-L337 WeakPolarHBondContact O-CG 3.28Å; A333-L337 PolarHBondContact O-N 2.9Å; A333-L337 VanDerWaalsContact O-N 3.11Å; A333-L375 HydrophobicContact CB-CD1 3.97Å; A333-E378 HydrophobicContact CB-CB 3.98Å; A333-L379 HydrophobicContact CB-CD2 3.8Å; A333-L379 HydrophobicContact CB-CG 3.93Å; A333-L382 HydrophobicContact CB-CD1 3.77Å |
| 334 | A | 97.9 | Very high | 95.1 | Very high | 46 Ų | 46 | 70.9 Ų | 70.9 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K330 T331 C332 L337 S338 | K330-A334 WeakPolarHBondContact O-CB 3.24Å; K330-A334 PolarHBondContact O-N 3.26Å; T331-A334 PolarHBondContact O-N 3.44Å; C332-A334 VanDerWaalsContact C-N 3.34Å; C332-A334 PolarHBondContact O-N 3.49Å; A334-L337 PolarHBondContact O-N 3.47Å; A334-S338 WeakPolarHBondContact O-CB 3.44Å; A334-S338 PolarHBondContact O-N 3.06Å; A334-S338 PolarHBondContact O-OG 3.16Å |
| 335 | Q | 96.9 | Very high | 95.2 | Very high | 70 Ų | 70 | 70.2 Ų | 70.2 | 33% | 0.327 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 179.4 | -69.8 | -65.3 | -17.5 | 0 | 0 | 111.8 | I321 T331 C332 L337 S338 Y339 | I321-Q335 HydrophobicContact CG2-CB 3.65Å; T331-Q335 HydrophobicContact CG2-CG 4.21Å; T331-Q335 WeakPolarHBondContact O-CB 3.35Å; T331-Q335 VanDerWaalsContact O-CG 3.25Å; T331-Q335 WeakPolarHBondContact O-CG 3.38Å; T331-Q335 PolarHBondContact O-N 3.16Å; C332-Q335 PolarHBondContact O-N 2.92Å; Q335-L337 PolarHBondContact O-N 3.23Å; Q335-S338 WeakPolarHBondContact CA-OG 3.24Å; Q335-S338 CarbonylContact O-C 3.39Å; Q335-S338 PolarHBondContact O-N 3.45Å; Q335-S338 PolarHBondContact O-OG 3.46Å; Q335-S338 VanDerWaalsContact O-OG 3.14Å; Q335-Y339 PolarHBondContact O-N 2.89Å; Q335-Y339 VanDerWaalsContact O-N 3.16Å |
| 336 | L | 98.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 173.9 | -72.5 | 169.6 | 0 | 0 | 0 | 111.6 | L318 I321 I322 C332 S338 Y339 I351 L375 L379 | L318-L336 HydrophobicContact CB-CD2 4.18Å; L318-L336 HydrophobicContact CD2-CD2 3.65Å; L318-L336 HydrophobicContact CG-CD2 4.48Å; I321-L336 HydrophobicContact CB-CD2 4.19Å; I321-L336 HydrophobicContact CG2-CD2 3.8Å; I321-L336 HydrophobicContact CG2-CG 3.9Å; I322-L336 HydrophobicContact CG1-CD1 4.11Å; I322-L336 HydrophobicContact CG1-CD2 4.08Å; C332-L336 WeakPolarHBondContact O-CG 3.23Å; C332-L336 PolarHBondContact O-N 2.78Å; L336-S338 VanDerWaalsContact C-N 3.27Å; L336-S338 PolarHBondContact O-N 3.47Å; L336-Y339 VanDerWaalsContact O-CB 3.24Å; L336-Y339 WeakPolarHBondContact O-CB 3.46Å; L336-Y339 PolarHBondContact O-N 3.35Å; L336-I351 HydrophobicContact CB-CD1 3.92Å; L336-I351 HydrophobicContact CB-CG1 4.21Å; L336-I351 HydrophobicContact CD1-CG2 4.24Å; L336-L375 HydrophobicContact CD1-CD1 4.31Å; L336-L375 HydrophobicContact CD1-CD2 4.09Å; L336-L379 HydrophobicContact CB-CD2 4.46Å; L336-L379 HydrophobicContact CD1-CD1 4.49Å |
| 337 | L | 97.6 | Very high | 95.3 | Very high | 38 Ų | 38 | 65.5 Ų | 65.5 | 20% | 0.199 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.6 | -20.5 | 179.5 | -69.4 | 173.2 | 0 | 0 | 0 | 113.7 | A333 A334 Q335 I351 L379 L382 Q383 | A333-L337 WeakPolarHBondContact O-CB 3.36Å; A333-L337 VanDerWaalsContact O-CG 3.3Å; A333-L337 WeakPolarHBondContact O-CG 3.28Å; A333-L337 PolarHBondContact O-N 2.9Å; A333-L337 VanDerWaalsContact O-N 3.11Å; A334-L337 PolarHBondContact O-N 3.47Å; Q335-L337 PolarHBondContact O-N 3.23Å; L337-I351 HydrophobicContact CD2-CD1 3.9Å; L337-L379 HydrophobicContact CD1-CD2 3.98Å; L337-L379 HydrophobicContact CD2-CD2 4.16Å; L337-L379 HydrophobicContact CG-CD2 3.76Å; L337-L382 HydrophobicContact CD1-CB 3.41Å; L337-L382 VanDerWaalsContact CD1-CB 3.41Å; L337-L382 HydrophobicContact CD1-CD1 3.79Å; L337-L382 HydrophobicContact CD1-CG 4.25Å; L337-Q383 HydrophobicContact CD1-CG 3.76Å; L337-Q383 HydrophobicContact CD2-CG 3.54Å; L337-Q383 HydrophobicContact CG-CG 4.3Å |
| 338 | S | 95.6 | Very high | 95.3 | Very high | 44 Ų | 44 | 59.2 Ų | 59.2 | 31% | 0.308 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 9.8 | 173.8 | 63.4 | 0 | 0 | 0 | 0 | 113.8 | A334 Q335 L336 P340 | A334-S338 WeakPolarHBondContact O-CB 3.44Å; A334-S338 PolarHBondContact O-N 3.06Å; A334-S338 PolarHBondContact O-OG 3.16Å; Q335-S338 WeakPolarHBondContact CA-OG 3.24Å; Q335-S338 CarbonylContact O-C 3.39Å; Q335-S338 PolarHBondContact O-N 3.45Å; Q335-S338 PolarHBondContact O-OG 3.46Å; Q335-S338 VanDerWaalsContact O-OG 3.14Å; L336-S338 VanDerWaalsContact C-N 3.27Å; L336-S338 PolarHBondContact O-N 3.47Å; S338-P340 VanDerWaalsContact O-CD 3.32Å; S338-P340 WeakPolarHBondContact O-CD 3.38Å; S338-P340 VanDerWaalsContact O-N 3.12Å |
| 339 | Y | 95.6 | Very high | 95.3 | Very high | 26 Ų | 26 | 55 Ų | 55 | 10% | 0.102 | 28% | 0.282 | C | S | . | . | trans | -54.2 | 116.8 | -179.7 | 177.4 | -116.9 | 0 | 0 | 0 | 111.1 | H248 I314 N317 L318 I321 Q335 L336 I345 L347 | H248-Y339 AromaticContact CE1-CE1 3.65Å; H248-Y339 AromaticContact NE2-CE1 3.38Å; H248-Y339 WeakPolarHBondContact NE2-CE1 3.38Å; H248-Y339 AromaticContact NE2-CZ 3.4Å; H248-Y339 PolarHBondContact NE2-OH 3.25Å; I314-Y339 HydrophobicContact CG1-CE1 4.32Å; I314-Y339 HydrophobicContact CG2-CE1 4.28Å; N317-Y339 HydrophobicContact CB-CE2 3.55Å; N317-Y339 PolarHBondContact ND2-OH 3.36Å; L318-Y339 HydrophobicContact CD2-CD1 4.19Å; L318-Y339 HydrophobicContact CD2-CD2 4.31Å; L318-Y339 HydrophobicContact CD2-CG 3.91Å; I321-Y339 HydrophobicContact CD1-CD2 3.79Å; Q335-Y339 PolarHBondContact O-N 2.89Å; Q335-Y339 VanDerWaalsContact O-N 3.16Å; L336-Y339 VanDerWaalsContact O-CB 3.24Å; L336-Y339 WeakPolarHBondContact O-CB 3.46Å; L336-Y339 PolarHBondContact O-N 3.35Å; Y339-I345 HydrophobicContact CD1-CD1 4.21Å; Y339-I345 HydrophobicContact CE1-CD1 4.11Å; Y339-L347 HydrophobicContact CD1-CD1 3.93Å; Y339-L347 HydrophobicContact CG-CD1 4.46Å | ||
| 340 | P | 90.1 | Very high | 95.4 | Very high | 81 Ų | 81 | 49.6 Ų | 49.6 | 53% | 0.526 | 26% | 0.261 | S | S | . | . | trans | -85.6 | 147.2 | -176.6 | 37.1 | -36.5 | 0 | 0 | 0 | 110.3 | L250 S338 | L250-P340 HydrophobicContact CD1-CB 3.66Å; L250-P340 HydrophobicContact CD1-CG 4.02Å; S338-P340 VanDerWaalsContact O-CD 3.32Å; S338-P340 WeakPolarHBondContact O-CD 3.38Å; S338-P340 VanDerWaalsContact O-N 3.12Å | ||
| 341 | G | 83.5 | Confident | 95.4 | Very high | 31 Ų | 31 | 43 Ų | 43 | 32% | 0.32 | 23% | 0.232 | S | C | . | . | trans | -150.5 | 152.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N343 | G341-N343 VanDerWaalsContact C-N 3.3Å; G341-N343 PolarHBondContact O-N 2.64Å | ||
| 342 | K | 83.1 | Confident | 95.5 | Very high | 119 Ų | 119 | 40.1 Ų | 40.1 | 52% | 0.517 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -64.1 | -36 | 179.9 | -176.1 | 177.6 | -178.2 | 178.8 | 0 | 112.5 | H248 L250 | H248-K342 VanDerWaalsContact O-CB 3.3Å; H248-K342 WeakPolarHBondContact O-CB 3.44Å; H248-K342 PolarHBondContact O-N 2.93Å; L250-K342 HydrophobicContact CD2-CB 4.03Å |
| 343 | N | 90.1 | Very high | 95.5 | Very high | 70 Ų | 70 | 40.2 Ų | 40.2 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -121.3 | 158.2 | 177 | -76.4 | -59.4 | 0 | 0 | 0 | 110.7 | R247 G341 | R247-N343 PolarHBondContact O-ND2 3.1Å; G341-N343 VanDerWaalsContact C-N 3.3Å; G341-N343 PolarHBondContact O-N 2.64Å |
| 344 | K | 93.1 | Very high | 95.5 | Very high | 185 Ų | 185 | 40.3 Ų | 40.3 | 80% | 0.804 | 22% | 0.216 | S | C | * | . | trans | -66.6 | 136.6 | 173.5 | -66.5 | -173.2 | 177.8 | -177.3 | 0 | 110.1 | P301 | P301-K344 HydrophobicContact CB-CB 4.01Å; P301-K344 WeakPolarHBondContact CB-O 3.22Å; P301-K344 HydrophobicContact CG-CB 3.82Å | ||
| 345 | I | 96.8 | Very high | 95.6 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 15% | 0.149 | 20% | 0.198 | C | C | . | . | trans | -130.7 | 157.6 | 177.1 | 59.2 | 172.9 | 0 | 0 | 0 | 109.6 | P304 I314 Y339 L347 | P304-I345 HydrophobicContact CG-CG2 4.45Å; I314-I345 HydrophobicContact CD1-CD1 3.81Å; I314-I345 HydrophobicContact CD1-CG2 3.97Å; I314-I345 HydrophobicContact CG1-CD1 4Å; I314-I345 HydrophobicContact CG2-CD1 4.07Å; Y339-I345 HydrophobicContact CD1-CD1 4.21Å; Y339-I345 HydrophobicContact CE1-CD1 4.11Å; I345-L347 HydrophobicContact CD1-CD1 4.26Å; I345-L347 HydrophobicContact CG1-CB 4.32Å; I345-L347 PolarHBondContact O-N 3.1Å | ||
| 346 | P | 97.4 | Very high | 95.6 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 6% | 0.058 | 18% | 0.182 | C | C | . | . | trans | -74.5 | 69.8 | 172.8 | 31.3 | -32.8 | 0 | 0 | 0 | 110.3 | A297 P301 M303 N348 Y349 H350 | A297-P346 HydrophobicContact CB-CB 4.3Å; P301-P346 WeakPolarHBondContact O-CD 3.4Å; M303-P346 HydrophobicContact CB-CG 3.77Å; M303-P346 HydrophobicContact CE-CG 3.99Å; M303-P346 HydrophobicContact CG-CG 4.07Å; P346-N348 VanDerWaalsContact C-N 3.31Å; P346-N348 PolarHBondContact O-N 2.95Å; P346-Y349 HydrophobicContact CB-CD2 4.03Å; P346-Y349 WeakPolarHBondContact O-CB 3.44Å; P346-Y349 PolarHBondContact O-N 3.24Å; P346-H350 PolarHBondContact O-N 2.98Å | ||
| 347 | L | 98.1 | Very high | 95.7 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 16% | 0.162 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.5 | -40.2 | -168.3 | -180 | 59.3 | 0 | 0 | 0 | 113.6 | L318 Y339 I345 Y349 H350 I351 | L318-L347 HydrophobicContact CD2-CD1 4.34Å; Y339-L347 HydrophobicContact CD1-CD1 3.93Å; Y339-L347 HydrophobicContact CG-CD1 4.46Å; I345-L347 HydrophobicContact CD1-CD1 4.26Å; I345-L347 HydrophobicContact CG1-CB 4.32Å; I345-L347 PolarHBondContact O-N 3.1Å; L347-Y349 VanDerWaalsContact C-N 3.27Å; L347-Y349 PolarHBondContact O-N 3.43Å; L347-H350 PolarHBondContact O-N 2.9Å; L347-I351 HydrophobicContact CD1-CD1 4Å; L347-I351 HydrophobicContact CD1-CG1 4.01Å; L347-I351 HydrophobicContact CD2-CD1 4.33Å; L347-I351 HydrophobicContact CG-CD1 3.73Å; L347-I351 HydrophobicContact CG-CG1 4.23Å; L347-I351 WeakPolarHBondContact O-CG1 3.44Å; L347-I351 PolarHBondContact O-N 2.89Å |
| 348 | N | 98.4 | Very high | 95.7 | Very high | 25 Ų | 25 | 33.7 Ų | 33.7 | 13% | 0.134 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.1 | -39.2 | 177.8 | -76.6 | -3.2 | 0 | 0 | 0 | 112.5 | P346 V352 S386 L387 V390 | P346-N348 VanDerWaalsContact C-N 3.31Å; P346-N348 PolarHBondContact O-N 2.95Å; N348-V352 WeakPolarHBondContact O-CB 3.33Å; N348-V352 VanDerWaalsContact O-CG2 3.3Å; N348-V352 WeakPolarHBondContact O-CG2 3.5Å; N348-V352 PolarHBondContact O-N 3.16Å; N348-S386 WeakPolarHBondContact ND2-CB 3.32Å; N348-S386 PolarHBondContact ND2-OG 3.43Å; N348-L387 HydrophobicContact CB-CD1 3.96Å; N348-V390 HydrophobicContact CB-CG2 4.17Å |
| 349 | Y | 98.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 31.7 Ų | 31.7 | 15% | 0.145 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.2 | -44.7 | 177.5 | -73.4 | -99.7 | 0 | 0 | 0 | 111 | F292 D296 A297 M303 P346 L347 I351 V352 E353 V390 Q393 | F292-Y349 AromaticContact CD1-CD1 3.95Å; F292-Y349 HydrophobicContact CD1-CD1 3.95Å; F292-Y349 HydrophobicContact CD1-CE1 4.43Å; F292-Y349 HydrophobicContact CD2-CD1 4.04Å; F292-Y349 AromaticContact CE1-CD1 3.87Å; F292-Y349 HydrophobicContact CE1-CD1 3.87Å; F292-Y349 HydrophobicContact CE1-CE1 4.19Å; F292-Y349 AromaticContact CE2-CD1 3.99Å; F292-Y349 HydrophobicContact CE2-CD1 3.99Å; F292-Y349 HydrophobicContact CG-CD1 4.05Å; F292-Y349 AromaticContact CZ-CD1 3.9Å; F292-Y349 HydrophobicContact CZ-CD1 3.9Å; F292-Y349 HydrophobicContact CZ-CE1 4.47Å; D296-Y349 HydrophobicContact CB-CE1 4.23Å; D296-Y349 WeakPolarHBondContact O-CE1 3.44Å; D296-Y349 PolarHBondContact O-OH 2.91Å; D296-Y349 VanDerWaalsContact O-OH 3.04Å; A297-Y349 HydrophobicContact CB-CD1 4.38Å; A297-Y349 HydrophobicContact CB-CD2 3.91Å; A297-Y349 HydrophobicContact CB-CE1 4.1Å; A297-Y349 HydrophobicContact CB-CE2 3.59Å; A297-Y349 HydrophobicContact CB-CG 4.3Å; M303-Y349 VanDerWaalsContact CE-CB 3.49Å; M303-Y349 HydrophobicContact CE-CD1 4.33Å; M303-Y349 HydrophobicContact CE-CG 4.07Å; P346-Y349 HydrophobicContact CB-CD2 4.03Å; P346-Y349 WeakPolarHBondContact O-CB 3.44Å; P346-Y349 PolarHBondContact O-N 3.24Å; L347-Y349 VanDerWaalsContact C-N 3.27Å; L347-Y349 PolarHBondContact O-N 3.43Å; Y349-I351 PolarHBondContact O-N 3.37Å; Y349-V352 PolarHBondContact O-N 3.42Å; Y349-E353 WeakPolarHBondContact O-CB 3.38Å; Y349-E353 PolarHBondContact O-N 3.31Å; Y349-V390 HydrophobicContact CD1-CG1 3.82Å; Y349-V390 HydrophobicContact CD2-CG1 4.14Å; Y349-V390 HydrophobicContact CD2-CG2 3.97Å; Y349-V390 HydrophobicContact CE1-CG1 3.98Å; Y349-V390 HydrophobicContact CE1-CG2 4.36Å; Y349-V390 HydrophobicContact CE2-CG1 4.28Å; Y349-V390 HydrophobicContact CE2-CG2 3.53Å; Y349-V390 HydrophobicContact CG-CG1 3.89Å; Y349-Q393 PolarHBondContact OH-OE1 3.34Å |
| 350 | H | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 175.6 | -70.6 | -62.4 | 0 | 0 | 0 | 112.4 | I314 L318 P346 L347 E353 V354 | I314-H350 HydrophobicContact CG2-CB 3.93Å; L318-H350 HydrophobicContact CD1-CB 3.79Å; P346-H350 PolarHBondContact O-N 2.98Å; L347-H350 PolarHBondContact O-N 2.9Å; H350-E353 PolarHBondContact O-N 2.75Å; H350-V354 VanDerWaalsContact O-CB 3.3Å; H350-V354 WeakPolarHBondContact O-CB 3.39Å; H350-V354 WeakPolarHBondContact O-CG2 3.36Å; H350-V354 PolarHBondContact O-N 3.27Å |
| 351 | I | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.4 | -48.2 | 177.3 | -69.8 | 168.5 | 0 | 0 | 0 | 110.7 | L318 L336 L337 L347 Y349 V354 I355 L379 | L318-I351 HydrophobicContact CD1-CG1 4.36Å; L318-I351 HydrophobicContact CD2-CG1 4.36Å; L336-I351 HydrophobicContact CB-CD1 3.92Å; L336-I351 HydrophobicContact CB-CG1 4.21Å; L336-I351 HydrophobicContact CD1-CG2 4.24Å; L337-I351 HydrophobicContact CD2-CD1 3.9Å; L347-I351 HydrophobicContact CD1-CD1 4Å; L347-I351 HydrophobicContact CD1-CG1 4.01Å; L347-I351 HydrophobicContact CD2-CD1 4.33Å; L347-I351 HydrophobicContact CG-CD1 3.73Å; L347-I351 HydrophobicContact CG-CG1 4.23Å; L347-I351 WeakPolarHBondContact O-CG1 3.44Å; L347-I351 PolarHBondContact O-N 2.89Å; Y349-I351 PolarHBondContact O-N 3.37Å; I351-V354 PolarHBondContact O-N 2.94Å; I351-I355 HydrophobicContact CG2-CD1 3.77Å; I351-I355 WeakPolarHBondContact O-CB 3.48Å; I351-I355 VanDerWaalsContact O-CG1 3.28Å; I351-I355 WeakPolarHBondContact O-CG1 3.31Å; I351-I355 PolarHBondContact O-N 3.46Å; I351-L379 HydrophobicContact CG2-CD1 3.55Å; I351-L379 HydrophobicContact CG2-CD2 4.29Å |
| 352 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | -179.6 | 169.7 | 0 | 0 | 0 | 0 | 111 | F292 N348 Y349 I355 F356 L376 L387 V390 L391 A394 | F292-V352 HydrophobicContact CE2-CB 4.44Å; F292-V352 HydrophobicContact CE2-CG1 4.23Å; F292-V352 HydrophobicContact CZ-CG1 4.37Å; N348-V352 WeakPolarHBondContact O-CB 3.33Å; N348-V352 VanDerWaalsContact O-CG2 3.3Å; N348-V352 WeakPolarHBondContact O-CG2 3.5Å; N348-V352 PolarHBondContact O-N 3.16Å; Y349-V352 PolarHBondContact O-N 3.42Å; V352-I355 PolarHBondContact O-N 2.79Å; V352-F356 HydrophobicContact CG1-CD2 3.7Å; V352-F356 HydrophobicContact CG1-CE2 3.65Å; V352-F356 VanDerWaalsContact O-CD2 3.27Å; V352-F356 WeakPolarHBondContact O-CD2 3.4Å; V352-F356 PolarHBondContact O-N 2.74Å; V352-L376 HydrophobicContact CG2-CD2 4.4Å; V352-L387 HydrophobicContact CG2-CD1 4.12Å; V352-V390 HydrophobicContact CB-CG1 4.23Å; V352-V390 HydrophobicContact CG2-CG1 3.99Å; V352-L391 HydrophobicContact CG1-CD1 4.25Å; V352-A394 HydrophobicContact CG1-CB 3.76Å |
| 353 | E | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.3 | -40.9 | 178.5 | -171.3 | 170 | -148 | 0 | 0 | 113 | F289 R290 M291 F292 R311 Y349 H350 F356 G357 | F289-E353 HydrophobicContact CD1-CG 3.9Å; F289-E353 WeakPolarHBondContact CD1-O 3.48Å; F289-E353 HydrophobicContact CE1-CG 3.88Å; R290-E353 IonicContact CZ-OE1 3.62Å; R290-E353 IonicContact NH1-OE1 3.39Å; R290-E353 PolarHBondContact NH1-OE1 3.42Å; R290-E353 IonicContact NH1-OE2 3.17Å; R290-E353 PolarHBondContact NH1-OE2 3.37Å; M291-E353 HydrophobicContact CG-CG 4.04Å; M291-E353 PolarHBondContact N-OE1 2.82Å; F292-E353 HydrophobicContact CD2-CB 3.75Å; F292-E353 HydrophobicContact CD2-CG 4.24Å; F292-E353 HydrophobicContact CE2-CB 4.03Å; F292-E353 PolarHBondContact N-OE1 3.28Å; F292-E353 VanDerWaalsContact N-OE1 3.1Å; R311-E353 IonicContact CZ-OE2 2.79Å; R311-E353 IonicContact NE-OE2 2.7Å; R311-E353 VanDerWaalsContact NH2-CD 3.25Å; R311-E353 IonicContact NH2-OE1 3.38Å; R311-E353 PolarHBondContact NH2-OE1 3.21Å; R311-E353 VanDerWaalsContact NH2-OE1 3.1Å; R311-E353 IonicContact NH2-OE2 3.44Å; R311-E353 PolarHBondContact NH2-OE2 2.99Å; Y349-E353 WeakPolarHBondContact O-CB 3.38Å; Y349-E353 PolarHBondContact O-N 3.31Å; H350-E353 PolarHBondContact O-N 2.75Å; E353-F356 PolarHBondContact O-N 3.27Å; E353-G357 PolarHBondContact O-N 3.27Å |
| 354 | V | 98.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 175.7 | 165.5 | 0 | 0 | 0 | 0 | 110.7 | E315 L318 I322 H350 I351 F356 G357 E358 | E315-V354 HydrophobicContact CB-CG2 4.13Å; E315-V354 HydrophobicContact CG-CG2 3.85Å; L318-V354 HydrophobicContact CB-CB 4.36Å; L318-V354 HydrophobicContact CB-CG1 3.97Å; L318-V354 HydrophobicContact CB-CG2 4.03Å; L318-V354 HydrophobicContact CD1-CG2 3.99Å; I322-V354 HydrophobicContact CD1-CG1 3.9Å; H350-V354 VanDerWaalsContact O-CB 3.3Å; H350-V354 WeakPolarHBondContact O-CB 3.39Å; H350-V354 WeakPolarHBondContact O-CG2 3.36Å; H350-V354 PolarHBondContact O-N 3.27Å; I351-V354 PolarHBondContact O-N 2.94Å; V354-F356 PolarHBondContact O-N 3.45Å; V354-G357 PolarHBondContact O-N 3.13Å; V354-E358 PolarHBondContact O-N 2.87Å |
| 355 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62 | -44.5 | 178 | -73.5 | 170.3 | 0 | 0 | 0 | 111.2 | I322 I351 V352 E358 L359 Y372 L375 L376 L379 | I322-I355 HydrophobicContact CD1-CG1 4.12Å; I351-I355 HydrophobicContact CG2-CD1 3.77Å; I351-I355 WeakPolarHBondContact O-CB 3.48Å; I351-I355 VanDerWaalsContact O-CG1 3.28Å; I351-I355 WeakPolarHBondContact O-CG1 3.31Å; I351-I355 PolarHBondContact O-N 3.46Å; V352-I355 PolarHBondContact O-N 2.79Å; I355-E358 PolarHBondContact O-N 3.39Å; I355-L359 WeakPolarHBondContact O-CB 3.44Å; I355-L359 PolarHBondContact O-N 2.97Å; I355-Y372 HydrophobicContact CG2-CD1 3.99Å; I355-Y372 HydrophobicContact CG2-CG 4.41Å; I355-L375 HydrophobicContact CD1-CD2 3.79Å; I355-L375 HydrophobicContact CD1-CG 4.05Å; I355-L375 HydrophobicContact CG1-CD2 4.09Å; I355-L376 HydrophobicContact CD1-CD2 3.77Å; I355-L376 HydrophobicContact CD1-CG 4.14Å; I355-L376 HydrophobicContact CG2-CD1 3.84Å; I355-L376 HydrophobicContact CG2-CD2 4.19Å; I355-L376 HydrophobicContact CG2-CG 3.93Å; I355-L379 HydrophobicContact CD1-CD1 3.46Å; I355-L379 VanDerWaalsContact CD1-CD1 3.46Å |
| 356 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.6 | -33.9 | 176.2 | -76.4 | -55.1 | 0 | 0 | 0 | 112.8 | F289 M291 V352 E353 V354 E358 L359 F360 L376 L391 A394 M398 W416 | F289-F356 HydrophobicContact CE1-CB 3.94Å; F289-F356 HydrophobicContact CZ-CB 3.91Å; M291-F356 HydrophobicContact SD-CD2 4.45Å; V352-F356 HydrophobicContact CG1-CD2 3.7Å; V352-F356 HydrophobicContact CG1-CE2 3.65Å; V352-F356 VanDerWaalsContact O-CD2 3.27Å; V352-F356 WeakPolarHBondContact O-CD2 3.4Å; V352-F356 PolarHBondContact O-N 2.74Å; E353-F356 PolarHBondContact O-N 3.27Å; V354-F356 PolarHBondContact O-N 3.45Å; F356-E358 VanDerWaalsContact C-N 3.31Å; F356-E358 PolarHBondContact O-N 3.39Å; F356-L359 HydrophobicContact CD1-CD2 4.08Å; F356-L359 HydrophobicContact CE1-CD2 4.26Å; F356-L359 PolarHBondContact O-N 2.97Å; F356-F360 HydrophobicContact CB-CD2 3.96Å; F356-F360 HydrophobicContact CB-CE2 3.75Å; F356-F360 HydrophobicContact CD1-CD2 4.34Å; F356-F360 AromaticContact CD1-CE2 3.42Å; F356-F360 HydrophobicContact CD1-CE2 3.42Å; F356-F360 VanDerWaalsContact CD1-CE2 3.42Å; F356-F360 AromaticContact CD1-CZ 3.74Å; F356-F360 HydrophobicContact CD1-CZ 3.74Å; F356-F360 HydrophobicContact CE1-CE2 4.32Å; F356-F360 HydrophobicContact CE1-CZ 4.28Å; F356-F360 AromaticContact CG-CE2 3.87Å; F356-F360 HydrophobicContact CG-CE2 3.87Å; F356-F360 WeakPolarHBondContact O-CB 3.32Å; F356-F360 WeakPolarHBondContact O-CD2 3.42Å; F356-F360 WeakPolarHBondContact O-CG 3.08Å; F356-F360 PolarHBondContact O-N 3.05Å; F356-L376 HydrophobicContact CE1-CD1 4.49Å; F356-L376 HydrophobicContact CZ-CD1 4.21Å; F356-L391 HydrophobicContact CE2-CD1 3.67Å; F356-L391 HydrophobicContact CZ-CD1 3.76Å; F356-A394 HydrophobicContact CD2-CB 4.46Å; F356-A394 HydrophobicContact CE2-CB 3.99Å; F356-M398 HydrophobicContact CD1-CE 4.15Å; F356-M398 HydrophobicContact CD1-SD 4.13Å; F356-M398 HydrophobicContact CD2-CE 4.16Å; F356-M398 HydrophobicContact CD2-SD 4.41Å; F356-M398 HydrophobicContact CE1-CE 3.73Å; F356-M398 HydrophobicContact CE1-SD 4.29Å; F356-M398 HydrophobicContact CE2-CE 3.73Å; F356-M398 HydrophobicContact CG-CE 4.36Å; F356-M398 HydrophobicContact CG-SD 4.21Å; F356-M398 HydrophobicContact CZ-CE 3.5Å; F356-M398 HydrophobicContact CZ-SD 4.5Å; F356-W416 AromaticContact CE1-CD2 3.86Å; F356-W416 HydrophobicContact CE1-CD2 3.86Å; F356-W416 AromaticContact CE1-CE2 3.82Å; F356-W416 HydrophobicContact CE1-CE3 4.03Å; F356-W416 HydrophobicContact CE1-CG 4.44Å; F356-W416 HydrophobicContact CE1-CH2 4.22Å; F356-W416 HydrophobicContact CE1-CZ2 4.05Å; F356-W416 HydrophobicContact CE1-CZ3 4.2Å; F356-W416 HydrophobicContact CZ-CD2 4.22Å; F356-W416 AromaticContact CZ-CE2 3.78Å; F356-W416 HydrophobicContact CZ-CE3 4.31Å; F356-W416 AromaticContact CZ-CH2 3.66Å; F356-W416 HydrophobicContact CZ-CH2 3.66Å; F356-W416 AromaticContact CZ-CZ2 3.54Å; F356-W416 HydrophobicContact CZ-CZ2 3.54Å; F356-W416 HydrophobicContact CZ-CZ3 4.03Å |
| 357 | G | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 17.6 Ų | 17.6 | 11% | 0.113 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.2 | -41.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | F289 E353 V354 Q361 | F289-G357 VanDerWaalsContact CD1-CA 3.44Å; F289-G357 VanDerWaalsContact CG-CA 3.48Å; E353-G357 PolarHBondContact O-N 3.27Å; V354-G357 PolarHBondContact O-N 3.13Å; G357-Q361 WeakPolarHBondContact O-CB 2.92Å; G357-Q361 PolarHBondContact O-N 3.21Å; G357-Q361 VanDerWaalsContact O-N 3.08Å |
| 358 | E | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.019 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.4 | -49.1 | 171.4 | -71.3 | -159.9 | -169.5 | 0 | 0 | 112.3 | H319 V354 I355 F356 F360 Q361 P365 P366 H367 Y372 | H319-E358 WeakPolarHBondContact CE1-CG 3.36Å; H319-E358 IonicContact CE1-OE1 3.57Å; H319-E358 IonicContact CG-OE1 2.93Å; H319-E358 WeakPolarHBondContact ND1-CG 3.44Å; H319-E358 IonicContact ND1-OE1 3.43Å; H319-E358 PolarHBondContact ND1-OE1 3Å; V354-E358 PolarHBondContact O-N 2.87Å; I355-E358 PolarHBondContact O-N 3.39Å; F356-E358 VanDerWaalsContact C-N 3.31Å; F356-E358 PolarHBondContact O-N 3.39Å; E358-F360 VanDerWaalsContact C-N 3.26Å; E358-F360 PolarHBondContact O-N 3.08Å; E358-Q361 VanDerWaalsContact O-CB 3.27Å; E358-Q361 WeakPolarHBondContact O-CB 3.41Å; E358-Q361 PolarHBondContact O-N 3.32Å; E358-Q361 VanDerWaalsContact O-N 3.14Å; E358-P365 WeakPolarHBondContact O-CA 3.43Å; E358-P365 VanDerWaalsContact O-CB 3.24Å; E358-P365 WeakPolarHBondContact O-CB 3.24Å; E358-P366 HydrophobicContact CB-CG 4.44Å; E358-P366 HydrophobicContact CG-CG 4.12Å; E358-H367 IonicContact OE2-CD2 2.62Å; E358-Y372 HydrophobicContact CB-CE1 3.59Å; E358-Y372 WeakPolarHBondContact CB-OH 3.46Å; E358-Y372 HydrophobicContact CG-CE1 4.34Å; E358-Y372 WeakPolarHBondContact OE2-CE1 3.5Å; E358-Y372 VanDerWaalsContact OE2-CZ 3.28Å; E358-Y372 PolarHBondContact OE2-OH 2.96Å |
| 359 | L | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.6 | -37.4 | -178.1 | -179.7 | 63.1 | 0 | 0 | 0 | 111.9 | I355 F356 P365 D369 Y372 R412 W416 | I355-L359 WeakPolarHBondContact O-CB 3.44Å; I355-L359 PolarHBondContact O-N 2.97Å; F356-L359 HydrophobicContact CD1-CD2 4.08Å; F356-L359 HydrophobicContact CE1-CD2 4.26Å; F356-L359 PolarHBondContact O-N 2.97Å; L359-P365 WeakPolarHBondContact O-CG 3.38Å; L359-D369 HydrophobicContact CD1-CB 4.15Å; L359-Y372 HydrophobicContact CB-CD2 4.25Å; L359-Y372 HydrophobicContact CB-CG 4.4Å; L359-Y372 HydrophobicContact CD1-CD2 3.84Å; L359-R412 HydrophobicContact CD1-CB 4.23Å; L359-R412 HydrophobicContact CG-CB 4.26Å; L359-R412 WeakPolarHBondContact O-CD 3.26Å; L359-R412 PolarHBondContact O-NH1 3.08Å; L359-W416 HydrophobicContact CD2-CB 3.88Å; L359-W416 HydrophobicContact CD2-CG 4.08Å |
| 360 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.4 | -179.7 | -56.1 | -47.2 | 0 | 0 | 0 | 114 | V216 F289 F356 E358 L362 M398 C409 R412 L413 | V216-F360 HydrophobicContact CG1-CB 4.11Å; V216-F360 HydrophobicContact CG1-CG 4.49Å; V216-F360 HydrophobicContact CG2-CB 3.75Å; F289-F360 AromaticContact CE2-CD2 3.83Å; F289-F360 HydrophobicContact CE2-CD2 3.83Å; F289-F360 HydrophobicContact CZ-CD2 4.09Å; F356-F360 HydrophobicContact CB-CD2 3.96Å; F356-F360 HydrophobicContact CB-CE2 3.75Å; F356-F360 HydrophobicContact CD1-CD2 4.34Å; F356-F360 AromaticContact CD1-CE2 3.42Å; F356-F360 HydrophobicContact CD1-CE2 3.42Å; F356-F360 VanDerWaalsContact CD1-CE2 3.42Å; F356-F360 AromaticContact CD1-CZ 3.74Å; F356-F360 HydrophobicContact CD1-CZ 3.74Å; F356-F360 HydrophobicContact CE1-CE2 4.32Å; F356-F360 HydrophobicContact CE1-CZ 4.28Å; F356-F360 AromaticContact CG-CE2 3.87Å; F356-F360 HydrophobicContact CG-CE2 3.87Å; F356-F360 WeakPolarHBondContact O-CB 3.32Å; F356-F360 WeakPolarHBondContact O-CD2 3.42Å; F356-F360 WeakPolarHBondContact O-CG 3.08Å; F356-F360 PolarHBondContact O-N 3.05Å; E358-F360 VanDerWaalsContact C-N 3.26Å; E358-F360 PolarHBondContact O-N 3.08Å; F360-L362 PolarHBondContact O-N 3.37Å; F360-M398 HydrophobicContact CE2-SD 3.39Å; F360-M398 WeakPolarHBondContact CE2-SD 3.21Å; F360-M398 HydrophobicContact CZ-SD 3.79Å; F360-C409 HydrophobicContact CB-CB 4.22Å; F360-C409 HydrophobicContact CD1-CB 3.85Å; F360-C409 WeakPolarHBondContact CE1-O 3.4Å; F360-C409 HydrophobicContact CG-CB 4.24Å; F360-C409 PolarHBondContact O-SG 2.74Å; F360-R412 HydrophobicContact CD1-CB 4.18Å; F360-R412 HydrophobicContact CE1-CB 4.08Å; F360-L413 HydrophobicContact CE1-CB 3.83Å; F360-L413 HydrophobicContact CZ-CB 3.92Å; F360-L413 HydrophobicContact CZ-CD1 3.88Å; F360-L413 HydrophobicContact CZ-CG 4.46Å |
| 361 | Q | 98.8 | Very high | 98.5 | Very high | 65 Ų | 65 | 25.3 Ų | 25.3 | 30% | 0.304 | 15% | 0.145 | S | C | . | . | trans | -57.2 | 125.4 | 177.7 | -169.8 | -179.9 | -83.7 | 0 | 0 | 111 | G357 E358 C364 R412 | G357-Q361 WeakPolarHBondContact O-CB 2.92Å; G357-Q361 PolarHBondContact O-N 3.21Å; G357-Q361 VanDerWaalsContact O-N 3.08Å; E358-Q361 VanDerWaalsContact O-CB 3.27Å; E358-Q361 WeakPolarHBondContact O-CB 3.41Å; E358-Q361 PolarHBondContact O-N 3.32Å; E358-Q361 VanDerWaalsContact O-N 3.14Å; Q361-C364 PolarHBondContact NE2-O 3.2Å; Q361-C364 CarbonylContact O-C 3.55Å; Q361-C364 VanDerWaalsContact O-C 3.26Å; Q361-C364 WeakPolarHBondContact O-CA 3.39Å; Q361-C364 PolarHBondContact O-N 3.01Å; Q361-R412 PolarHBondContact O-NH1 3.45Å | ||
| 362 | L | 98.7 | Very high | 98.5 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -97.4 | 137.3 | 171 | -59.3 | -178.5 | 0 | 0 | 0 | 108.6 | M213 L214 F360 N406 T408 L758 | M213-L362 WeakPolarHBondContact O-CD1 3.29Å; L214-L362 HydrophobicContact CD2-CB 3.97Å; F360-L362 PolarHBondContact O-N 3.37Å; L362-N406 HydrophobicContact CD1-CB 4.36Å; L362-T408 HydrophobicContact CD2-CG2 3.8Å; L362-L758 HydrophobicContact CB-CD1 4.46Å; L362-L758 HydrophobicContact CB-CD2 4.46Å; L362-L758 HydrophobicContact CD1-CD1 4.24Å; L362-L758 HydrophobicContact CD2-CD1 4.18Å |
| 363 | P | 98 | Very high | 98.5 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 7% | 0.071 | 15% | 0.147 | C | C | . | . | S | Bend | cis | -76.4 | -34.2 | 7.2 | -15.8 | 30.7 | 0 | 0 | 0 | 115.7 | M284 R412 L758 L794 | M284-P363 HydrophobicContact SD-CG 3.66Å; P363-R412 PolarHBondContact O-NH2 3.32Å; P363-L758 HydrophobicContact CB-CB 3.92Å; P363-L758 HydrophobicContact CB-CD2 3.73Å; P363-L758 HydrophobicContact CB-CG 4.44Å; P363-L758 WeakPolarHBondContact CB-O 3.37Å; P363-L758 HydrophobicContact CG-CD2 3.94Å; P363-L794 HydrophobicContact CG-CD1 4.49Å |
| 364 | C | 96.5 | Very high | 98.5 | Very high | 65 Ų | 65 | 27 Ų | 27 | 44% | 0.439 | 16% | 0.155 | S | C | . | . | trans | -141.9 | 154.4 | -179.2 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | Q361 | Q361-C364 PolarHBondContact NE2-O 3.2Å; Q361-C364 CarbonylContact O-C 3.55Å; Q361-C364 VanDerWaalsContact O-C 3.26Å; Q361-C364 WeakPolarHBondContact O-CA 3.39Å; Q361-C364 PolarHBondContact O-N 3.01Å | ||
| 365 | P | 98.3 | Very high | 98.5 | Very high | 15 Ų | 15 | 26.9 Ų | 26.9 | 10% | 0.097 | 16% | 0.155 | C | C | . | . | trans | -63.9 | 150.2 | 171.6 | -21.2 | 36.1 | 0 | 0 | 0 | 111.2 | E358 L359 H367 Y372 | E358-P365 WeakPolarHBondContact O-CA 3.43Å; E358-P365 VanDerWaalsContact O-CB 3.24Å; E358-P365 WeakPolarHBondContact O-CB 3.24Å; L359-P365 WeakPolarHBondContact O-CG 3.38Å; P365-H367 WeakPolarHBondContact CB-O 3.37Å; P365-H367 PolarHBondContact O-N 2.88Å; P365-Y372 HydrophobicContact CB-CE2 3.83Å | ||
| 366 | P | 97.4 | Very high | 98.5 | Very high | 63 Ų | 63 | 26.9 Ų | 26.9 | 41% | 0.409 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -58.5 | -28.4 | 175 | -25.3 | 34.5 | 0 | 0 | 0 | 114.1 | E358 | E358-P366 HydrophobicContact CB-CG 4.44Å; E358-P366 HydrophobicContact CG-CG 4.12Å |
| 367 | H | 98.3 | Very high | 98.5 | Very high | 26 Ų | 26 | 27.7 Ų | 27.7 | 12% | 0.12 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -132 | 166.2 | -178.1 | -55.8 | -52.8 | 0 | 0 | 0 | 111.7 | W326 E358 P365 D369 M371 Y372 | W326-H367 AromaticContact CD1-CE1 3.4Å; W326-H367 AromaticContact CD1-ND1 3.73Å; W326-H367 AromaticContact CD1-NE2 3.91Å; W326-H367 AromaticContact CD2-ND1 3.83Å; W326-H367 AromaticContact CG-CE1 3.66Å; W326-H367 AromaticContact CG-CG 3.94Å; W326-H367 AromaticContact CG-ND1 3.64Å; W326-H367 AromaticContact CG-NE2 3.96Å; W326-H367 AromaticContact NE1-CE1 3.84Å; W326-H367 AromaticContact NE1-ND1 3.94Å; E358-H367 IonicContact OE2-CD2 2.62Å; P365-H367 WeakPolarHBondContact CB-O 3.37Å; P365-H367 PolarHBondContact O-N 2.88Å; H367-D369 PolarHBondContact O-N 2.83Å; H367-M371 HydrophobicContact CB-CE 3.68Å; H367-Y372 HydrophobicContact CB-CE2 4.43Å; H367-Y372 PolarHBondContact N-OH 2.7Å; H367-Y372 WeakPolarHBondContact O-CE2 3.44Å |
| 368 | I | 98.4 | Very high | 98.5 | Very high | 110 Ų | 110 | 27.7 Ų | 27.7 | 56% | 0.564 | 16% | 0.156 | S | C | * | . | trans | -59.3 | 131.3 | -179.7 | -169.6 | 173.5 | 0 | 0 | 0 | 111.9 | V370 M371 | I368-V370 HydrophobicContact CD1-CG1 4.21Å; I368-V370 HydrophobicContact CG1-CG1 4.19Å; I368-V370 HydrophobicContact CG2-CG1 4.18Å; I368-V370 PolarHBondContact O-N 2.89Å; I368-M371 HydrophobicContact CG2-CB 4.09Å; I368-M371 WeakPolarHBondContact O-CB 3.35Å; I368-M371 PolarHBondContact O-N 3.34Å | ||
| 369 | D | 98.6 | Very high | 98.5 | Very high | 65 Ų | 65 | 27.5 Ų | 27.5 | 35% | 0.348 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -48.2 | -41.9 | -171.5 | -58.7 | 23.5 | 0 | 0 | 0 | 113.9 | L359 H367 M371 Y372 | L359-D369 HydrophobicContact CD1-CB 4.15Å; H367-D369 PolarHBondContact O-N 2.83Å; D369-M371 PolarHBondContact O-N 3.06Å; D369-Y372 WeakPolarHBondContact O-CD2 3.44Å; D369-Y372 PolarHBondContact O-N 3.41Å |
| 370 | V | 98.6 | Very high | 98.5 | Very high | 69 Ų | 69 | 28 Ų | 28 | 42% | 0.418 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.6 | -23.9 | -177.8 | 71.5 | 0 | 0 | 0 | 0 | 113.3 | I368 Y372 T373 T374 | I368-V370 HydrophobicContact CD1-CG1 4.21Å; I368-V370 HydrophobicContact CG1-CG1 4.19Å; I368-V370 HydrophobicContact CG2-CG1 4.18Å; I368-V370 PolarHBondContact O-N 2.89Å; V370-Y372 VanDerWaalsContact C-N 3.31Å; V370-Y372 PolarHBondContact O-N 3.37Å; V370-T373 PolarHBondContact O-N 3.24Å; V370-T374 PolarHBondContact O-N 3.45Å |
| 371 | M | 98.7 | Very high | 98.4 | Very high | 11 Ų | 11 | 33.8 Ų | 33.8 | 5% | 0.054 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 177.2 | -174.8 | -79.9 | -69.9 | 0 | 0 | 109.9 | I322 W326 H367 I368 D369 T373 T374 L375 | I322-M371 HydrophobicContact CG2-CE 3.84Å; W326-M371 HydrophobicContact CB-CE 4.11Å; H367-M371 HydrophobicContact CB-CE 3.68Å; I368-M371 HydrophobicContact CG2-CB 4.09Å; I368-M371 WeakPolarHBondContact O-CB 3.35Å; I368-M371 PolarHBondContact O-N 3.34Å; D369-M371 PolarHBondContact O-N 3.06Å; M371-T373 PolarHBondContact O-N 3Å; M371-T374 PolarHBondContact O-N 3Å; M371-T374 VanDerWaalsContact O-N 3.11Å; M371-T374 PolarHBondContact O-OG1 3.46Å; M371-L375 WeakPolarHBondContact O-CB 3.28Å; M371-L375 PolarHBondContact O-N 3.03Å; M371-L375 HydrophobicContact SD-CB 4.1Å; M371-L375 HydrophobicContact SD-CD2 4.04Å |
| 372 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -40.4 | -178.4 | -56.9 | -69.2 | 0 | 0 | 0 | 112.9 | I355 E358 L359 P365 H367 D369 V370 T374 L375 L376 | I355-Y372 HydrophobicContact CG2-CD1 3.99Å; I355-Y372 HydrophobicContact CG2-CG 4.41Å; E358-Y372 HydrophobicContact CB-CE1 3.59Å; E358-Y372 WeakPolarHBondContact CB-OH 3.46Å; E358-Y372 HydrophobicContact CG-CE1 4.34Å; E358-Y372 WeakPolarHBondContact OE2-CE1 3.5Å; E358-Y372 VanDerWaalsContact OE2-CZ 3.28Å; E358-Y372 PolarHBondContact OE2-OH 2.96Å; L359-Y372 HydrophobicContact CB-CD2 4.25Å; L359-Y372 HydrophobicContact CB-CG 4.4Å; L359-Y372 HydrophobicContact CD1-CD2 3.84Å; P365-Y372 HydrophobicContact CB-CE2 3.83Å; H367-Y372 HydrophobicContact CB-CE2 4.43Å; H367-Y372 PolarHBondContact N-OH 2.7Å; H367-Y372 WeakPolarHBondContact O-CE2 3.44Å; D369-Y372 WeakPolarHBondContact O-CD2 3.44Å; D369-Y372 PolarHBondContact O-N 3.41Å; V370-Y372 VanDerWaalsContact C-N 3.31Å; V370-Y372 PolarHBondContact O-N 3.37Å; Y372-T374 VanDerWaalsContact C-N 3.34Å; Y372-T374 PolarHBondContact O-N 2.93Å; Y372-L375 PolarHBondContact O-N 3.16Å; Y372-L376 WeakPolarHBondContact O-CG 3.46Å; Y372-L376 PolarHBondContact O-N 3.02Å |
| 373 | T | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.2 | -47.7 | 173.8 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | V370 M371 I377 H419 | V370-T373 PolarHBondContact O-N 3.24Å; M371-T373 PolarHBondContact O-N 3Å; T373-I377 HydrophobicContact CG2-CD1 4.24Å; T373-I377 WeakPolarHBondContact O-CG1 3.36Å; T373-I377 PolarHBondContact O-N 2.81Å; T373-H419 HydrophobicContact CG2-CB 4.26Å |
| 374 | T | 98.7 | Very high | 98.3 | Very high | 32 Ų | 32 | 41.6 Ų | 41.6 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.9 | -31.3 | -178.4 | 67.5 | 0 | 0 | 0 | 0 | 113.2 | V370 M371 Y372 I377 E378 | V370-T374 PolarHBondContact O-N 3.45Å; M371-T374 PolarHBondContact O-N 3Å; M371-T374 VanDerWaalsContact O-N 3.11Å; M371-T374 PolarHBondContact O-OG1 3.46Å; Y372-T374 VanDerWaalsContact C-N 3.34Å; Y372-T374 PolarHBondContact O-N 2.93Å; T374-I377 PolarHBondContact O-N 3.4Å; T374-E378 WeakPolarHBondContact O-CG 3.5Å; T374-E378 PolarHBondContact O-N 3.44Å |
| 375 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -46.9 | 175.2 | 180 | 59.6 | 0 | 0 | 0 | 111.1 | I322 C332 A333 L336 I355 M371 Y372 I377 E378 L379 | I322-L375 HydrophobicContact CG1-CD2 4.47Å; C332-L375 HydrophobicContact CB-CD1 3.92Å; A333-L375 HydrophobicContact CB-CD1 3.97Å; L336-L375 HydrophobicContact CD1-CD1 4.31Å; L336-L375 HydrophobicContact CD1-CD2 4.09Å; I355-L375 HydrophobicContact CD1-CD2 3.79Å; I355-L375 HydrophobicContact CD1-CG 4.05Å; I355-L375 HydrophobicContact CG1-CD2 4.09Å; M371-L375 WeakPolarHBondContact O-CB 3.28Å; M371-L375 PolarHBondContact O-N 3.03Å; M371-L375 HydrophobicContact SD-CB 4.1Å; M371-L375 HydrophobicContact SD-CD2 4.04Å; Y372-L375 PolarHBondContact O-N 3.16Å; L375-I377 VanDerWaalsContact C-N 3.28Å; L375-I377 PolarHBondContact O-N 3.36Å; L375-E378 PolarHBondContact O-N 3.45Å; L375-E378 VanDerWaalsContact O-N 3.14Å; L375-L379 HydrophobicContact CD1-CD1 4.47Å; L375-L379 HydrophobicContact CD1-CG 4.49Å; L375-L379 HydrophobicContact CG-CD1 4.11Å; L375-L379 WeakPolarHBondContact O-CG 3.3Å; L375-L379 PolarHBondContact O-N 3.11Å |
| 376 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -36.6 | 175.3 | -74.3 | 166 | 0 | 0 | 0 | 112.3 | V352 I355 F356 Y372 L379 C380 L391 W416 | V352-L376 HydrophobicContact CG2-CD2 4.4Å; I355-L376 HydrophobicContact CD1-CD2 3.77Å; I355-L376 HydrophobicContact CD1-CG 4.14Å; I355-L376 HydrophobicContact CG2-CD1 3.84Å; I355-L376 HydrophobicContact CG2-CD2 4.19Å; I355-L376 HydrophobicContact CG2-CG 3.93Å; F356-L376 HydrophobicContact CE1-CD1 4.49Å; F356-L376 HydrophobicContact CZ-CD1 4.21Å; Y372-L376 WeakPolarHBondContact O-CG 3.46Å; Y372-L376 PolarHBondContact O-N 3.02Å; L376-L379 HydrophobicContact CD2-CD1 4.35Å; L376-L379 PolarHBondContact O-N 3.4Å; L376-C380 PolarHBondContact O-N 2.9Å; L376-C380 PolarHBondContact O-SG 3.17Å; L376-L391 HydrophobicContact CB-CD2 4.37Å; L376-L391 HydrophobicContact CD1-CD1 4.17Å; L376-L391 HydrophobicContact CD2-CD1 4.1Å; L376-W416 HydrophobicContact CD1-CZ2 4.23Å; L376-W416 VanDerWaalsContact CD1-NE1 3.25Å |
| 377 | I | 98.7 | Very high | 98.1 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 9% | 0.087 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -46 | 173.3 | -70 | 165.7 | 0 | 0 | 0 | 111.1 | T373 T374 L375 C380 K381 N423 F424 | T373-I377 HydrophobicContact CG2-CD1 4.24Å; T373-I377 WeakPolarHBondContact O-CG1 3.36Å; T373-I377 PolarHBondContact O-N 2.81Å; T374-I377 PolarHBondContact O-N 3.4Å; L375-I377 VanDerWaalsContact C-N 3.28Å; L375-I377 PolarHBondContact O-N 3.36Å; I377-C380 PolarHBondContact O-N 3.28Å; I377-K381 WeakPolarHBondContact O-CG 3.4Å; I377-K381 PolarHBondContact O-N 2.75Å; I377-K381 VanDerWaalsContact O-N 3.14Å; I377-N423 HydrophobicContact CD1-CB 3.81Å; I377-F424 HydrophobicContact CG1-CE2 4.03Å; I377-F424 HydrophobicContact CG1-CZ 4.33Å |
| 378 | E | 98.8 | Very high | 98.1 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 177.3 | -66 | -58.4 | 155.5 | 0 | 0 | 111.9 | R329 K330 A333 T374 L375 C380 K381 L382 | R329-E378 HydrophobicContact CB-CG 4.3Å; R329-E378 HydrophobicContact CG-CG 3.84Å; R329-E378 IonicContact CZ-OE1 3.65Å; R329-E378 IonicContact NE-OE1 3.84Å; R329-E378 PolarHBondContact NE-OE1 2.84Å; R329-E378 IonicContact NH2-OE1 2.69Å; R329-E378 PolarHBondContact NH2-OE1 2.92Å; K330-E378 HydrophobicContact CG-CG 4.47Å; A333-E378 HydrophobicContact CB-CB 3.98Å; T374-E378 WeakPolarHBondContact O-CG 3.5Å; T374-E378 PolarHBondContact O-N 3.44Å; L375-E378 PolarHBondContact O-N 3.45Å; L375-E378 VanDerWaalsContact O-N 3.14Å; E378-C380 PolarHBondContact O-N 3.04Å; E378-K381 WeakPolarHBondContact O-CB 3.43Å; E378-K381 PolarHBondContact O-N 3.46Å; E378-K381 IonicContact OE1-NZ 2.79Å; E378-K381 PolarHBondContact OE1-NZ 3.13Å; E378-K381 WeakPolarHBondContact OE2-CD 3.34Å; E378-K381 IonicContact OE2-NZ 3.97Å; E378-K381 PolarHBondContact OE2-NZ 3.07Å; E378-L382 WeakPolarHBondContact O-CG 3.44Å; E378-L382 PolarHBondContact O-N 3.22Å; E378-L382 VanDerWaalsContact O-N 3.07Å |
| 379 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 173.9 | -69.8 | 163.9 | 0 | 0 | 0 | 111.2 | A333 L336 L337 I351 I355 L375 L376 K381 L382 Q383 L387 | A333-L379 HydrophobicContact CB-CD2 3.8Å; A333-L379 HydrophobicContact CB-CG 3.93Å; L336-L379 HydrophobicContact CB-CD2 4.46Å; L336-L379 HydrophobicContact CD1-CD1 4.49Å; L337-L379 HydrophobicContact CD1-CD2 3.98Å; L337-L379 HydrophobicContact CD2-CD2 4.16Å; L337-L379 HydrophobicContact CG-CD2 3.76Å; I351-L379 HydrophobicContact CG2-CD1 3.55Å; I351-L379 HydrophobicContact CG2-CD2 4.29Å; I355-L379 HydrophobicContact CD1-CD1 3.46Å; I355-L379 VanDerWaalsContact CD1-CD1 3.46Å; L375-L379 HydrophobicContact CD1-CD1 4.47Å; L375-L379 HydrophobicContact CD1-CG 4.49Å; L375-L379 HydrophobicContact CG-CD1 4.11Å; L375-L379 WeakPolarHBondContact O-CG 3.3Å; L375-L379 PolarHBondContact O-N 3.11Å; L376-L379 HydrophobicContact CD2-CD1 4.35Å; L376-L379 PolarHBondContact O-N 3.4Å; L379-K381 VanDerWaalsContact C-N 3.26Å; L379-K381 PolarHBondContact O-N 2.87Å; L379-L382 PolarHBondContact O-N 3.18Å; L379-L382 VanDerWaalsContact O-N 3.13Å; L379-Q383 PolarHBondContact O-N 2.88Å; L379-L387 HydrophobicContact CB-CD2 3.23Å; L379-L387 HydrophobicContact CG-CD2 4.49Å |
| 380 | C | 98.5 | Very high | 98.1 | Very high | 13 Ų | 13 | 38 Ų | 38 | 9% | 0.088 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -35.4 | 175.8 | -71.6 | 0 | 0 | 0 | 0 | 112.1 | L376 I377 E378 Q383 P384 L387 P388 | L376-C380 PolarHBondContact O-N 2.9Å; L376-C380 PolarHBondContact O-SG 3.17Å; I377-C380 PolarHBondContact O-N 3.28Å; E378-C380 PolarHBondContact O-N 3.04Å; C380-Q383 CarbonylContact O-C 3.26Å; C380-P384 VanDerWaalsContact O-CA 3.24Å; C380-P384 WeakPolarHBondContact O-CA 3.44Å; C380-L387 HydrophobicContact CB-CD2 4.46Å; C380-L387 VanDerWaalsContact N-CD2 3.32Å; C380-P388 HydrophobicContact CB-CG 4.34Å |
| 381 | K | 98 | Very high | 98.1 | Very high | 121 Ų | 121 | 34.9 Ų | 34.9 | 53% | 0.526 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.7 | -37.6 | 175.3 | -66.6 | 171.4 | -167.9 | 167.2 | 0 | 112.2 | I377 E378 L379 | I377-K381 WeakPolarHBondContact O-CG 3.4Å; I377-K381 PolarHBondContact O-N 2.75Å; I377-K381 VanDerWaalsContact O-N 3.14Å; E378-K381 WeakPolarHBondContact O-CB 3.43Å; E378-K381 PolarHBondContact O-N 3.46Å; E378-K381 IonicContact OE1-NZ 2.79Å; E378-K381 PolarHBondContact OE1-NZ 3.13Å; E378-K381 WeakPolarHBondContact OE2-CD 3.34Å; E378-K381 IonicContact OE2-NZ 3.97Å; E378-K381 PolarHBondContact OE2-NZ 3.07Å; L379-K381 VanDerWaalsContact C-N 3.26Å; L379-K381 PolarHBondContact O-N 2.87Å |
| 382 | L | 98.3 | Very high | 98.1 | Very high | 81 Ų | 81 | 36.3 Ų | 36.3 | 42% | 0.424 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -79.8 | -25.1 | -179.2 | -68.2 | 177.4 | 0 | 0 | 0 | 113.1 | A333 L337 E378 L379 | A333-L382 HydrophobicContact CB-CD1 3.77Å; L337-L382 HydrophobicContact CD1-CB 3.41Å; L337-L382 VanDerWaalsContact CD1-CB 3.41Å; L337-L382 HydrophobicContact CD1-CD1 3.79Å; L337-L382 HydrophobicContact CD1-CG 4.25Å; E378-L382 WeakPolarHBondContact O-CG 3.44Å; E378-L382 PolarHBondContact O-N 3.22Å; E378-L382 VanDerWaalsContact O-N 3.07Å; L379-L382 PolarHBondContact O-N 3.18Å; L379-L382 VanDerWaalsContact O-N 3.13Å |
| 383 | Q | 97.6 | Very high | 98.1 | Very high | 75 Ų | 75 | 39.1 Ų | 39.1 | 35% | 0.35 | 23% | 0.228 | S | C | . | . | trans | -131.3 | 61.2 | 178.5 | -68.6 | -62.5 | -67.2 | 0 | 0 | 112.3 | L337 L379 C380 G385 S386 L387 P388 | L337-Q383 HydrophobicContact CD1-CG 3.76Å; L337-Q383 HydrophobicContact CD2-CG 3.54Å; L337-Q383 HydrophobicContact CG-CG 4.3Å; L379-Q383 PolarHBondContact O-N 2.88Å; C380-Q383 CarbonylContact O-C 3.26Å; Q383-G385 PolarHBondContact O-N 3.14Å; Q383-S386 PolarHBondContact O-N 3.02Å; Q383-L387 HydrophobicContact CB-CB 3.85Å; Q383-L387 WeakPolarHBondContact O-CB 3.34Å; Q383-L387 PolarHBondContact O-N 2.93Å; Q383-L387 VanDerWaalsContact O-N 3.08Å; Q383-P388 WeakPolarHBondContact O-CD 3.48Å | ||
| 384 | P | 96.9 | Very high | 98.1 | Very high | 93 Ų | 93 | 38.9 Ų | 38.9 | 60% | 0.604 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -21.1 | -171.9 | 27.5 | -35.8 | 0 | 0 | 0 | 114.1 | C380 | C380-P384 VanDerWaalsContact O-CA 3.24Å; C380-P384 WeakPolarHBondContact O-CA 3.44Å |
| 385 | G | 95.4 | Very high | 98.1 | Very high | 60 Ų | 60 | 37.7 Ų | 37.7 | 62% | 0.619 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -10.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q383 Q389 | Q383-G385 PolarHBondContact O-N 3.14Å; G385-Q389 PolarHBondContact O-NE2 3.3Å; G385-Q389 PolarHBondContact O-OE1 2.88Å |
| 386 | S | 95.6 | Very high | 98.1 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | -40.2 | -170.4 | 56 | 0 | 0 | 0 | 0 | 114.5 | N348 Q383 Q389 V390 | N348-S386 WeakPolarHBondContact ND2-CB 3.32Å; N348-S386 PolarHBondContact ND2-OG 3.43Å; Q383-S386 PolarHBondContact O-N 3.02Å; S386-Q389 PolarHBondContact O-OE1 3.48Å; S386-Q389 VanDerWaalsContact O-OE1 3.05Å; S386-V390 WeakPolarHBondContact O-CG2 3.45Å; S386-V390 PolarHBondContact O-N 3.36Å |
| 387 | L | 97.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.7 | -39.9 | -174.9 | -164.9 | 95.4 | 0 | 0 | 0 | 113.8 | N348 V352 L379 C380 Q383 Q389 V390 L391 | N348-L387 HydrophobicContact CB-CD1 3.96Å; V352-L387 HydrophobicContact CG2-CD1 4.12Å; L379-L387 HydrophobicContact CB-CD2 3.23Å; L379-L387 HydrophobicContact CG-CD2 4.49Å; C380-L387 HydrophobicContact CB-CD2 4.46Å; C380-L387 VanDerWaalsContact N-CD2 3.32Å; Q383-L387 HydrophobicContact CB-CB 3.85Å; Q383-L387 WeakPolarHBondContact O-CB 3.34Å; Q383-L387 PolarHBondContact O-N 2.93Å; Q383-L387 VanDerWaalsContact O-N 3.08Å; L387-Q389 PolarHBondContact O-N 3.2Å; L387-V390 PolarHBondContact O-N 2.95Å; L387-L391 WeakPolarHBondContact O-CB 3.48Å; L387-L391 PolarHBondContact O-N 3.09Å |
| 388 | P | 98.3 | Very high | 98.1 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.4 | -36.5 | 176.1 | -27.6 | 36.7 | 0 | 0 | 0 | 113.3 | C380 Q383 L391 A392 | C380-P388 HydrophobicContact CB-CG 4.34Å; Q383-P388 WeakPolarHBondContact O-CD 3.48Å; P388-L391 PolarHBondContact O-N 3.28Å; P388-A392 WeakPolarHBondContact O-CB 3.46Å; P388-A392 PolarHBondContact O-N 3.06Å |
| 389 | Q | 97.8 | Very high | 98.1 | Very high | 109 Ų | 109 | 39.9 Ų | 39.9 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.8 | -45.2 | 177.7 | -61.3 | 92.6 | -29.5 | 0 | 0 | 111.7 | G385 S386 L387 L391 A392 Q393 | G385-Q389 PolarHBondContact O-NE2 3.3Å; G385-Q389 PolarHBondContact O-OE1 2.88Å; S386-Q389 PolarHBondContact O-OE1 3.48Å; S386-Q389 VanDerWaalsContact O-OE1 3.05Å; L387-Q389 PolarHBondContact O-N 3.2Å; Q389-L391 VanDerWaalsContact C-N 3.28Å; Q389-L391 PolarHBondContact O-N 3.16Å; Q389-A392 PolarHBondContact O-N 2.81Å; Q389-Q393 WeakPolarHBondContact O-CB 3.11Å; Q389-Q393 PolarHBondContact O-N 2.85Å |
| 390 | V | 98.5 | Very high | 98.1 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -39.8 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | F292 N348 Y349 V352 S386 L387 Q393 A394 | F292-V390 HydrophobicContact CZ-CG1 4.39Å; N348-V390 HydrophobicContact CB-CG2 4.17Å; Y349-V390 HydrophobicContact CD1-CG1 3.82Å; Y349-V390 HydrophobicContact CD2-CG1 4.14Å; Y349-V390 HydrophobicContact CD2-CG2 3.97Å; Y349-V390 HydrophobicContact CE1-CG1 3.98Å; Y349-V390 HydrophobicContact CE1-CG2 4.36Å; Y349-V390 HydrophobicContact CE2-CG1 4.28Å; Y349-V390 HydrophobicContact CE2-CG2 3.53Å; Y349-V390 HydrophobicContact CG-CG1 3.89Å; V352-V390 HydrophobicContact CB-CG1 4.23Å; V352-V390 HydrophobicContact CG2-CG1 3.99Å; S386-V390 WeakPolarHBondContact O-CG2 3.45Å; S386-V390 PolarHBondContact O-N 3.36Å; L387-V390 PolarHBondContact O-N 2.95Å; V390-Q393 PolarHBondContact O-N 3.09Å; V390-A394 WeakPolarHBondContact O-CB 3.39Å; V390-A394 PolarHBondContact O-N 3.41Å |
| 391 | L | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 178.4 | -172.3 | 58.2 | 0 | 0 | 0 | 112.3 | V352 F356 L376 L387 P388 Q389 A394 T395 W416 | V352-L391 HydrophobicContact CG1-CD1 4.25Å; F356-L391 HydrophobicContact CE2-CD1 3.67Å; F356-L391 HydrophobicContact CZ-CD1 3.76Å; L376-L391 HydrophobicContact CB-CD2 4.37Å; L376-L391 HydrophobicContact CD1-CD1 4.17Å; L376-L391 HydrophobicContact CD2-CD1 4.1Å; L387-L391 WeakPolarHBondContact O-CB 3.48Å; L387-L391 PolarHBondContact O-N 3.09Å; P388-L391 PolarHBondContact O-N 3.28Å; Q389-L391 VanDerWaalsContact C-N 3.28Å; Q389-L391 PolarHBondContact O-N 3.16Å; L391-A394 PolarHBondContact O-N 3.1Å; L391-T395 WeakPolarHBondContact O-CB 3.46Å; L391-T395 PolarHBondContact O-N 3.49Å; L391-T395 PolarHBondContact O-OG1 2.83Å; L391-W416 HydrophobicContact CD1-CH2 4.24Å; L391-W416 HydrophobicContact CD1-CZ2 3.81Å; L391-W416 HydrophobicContact CD2-CZ2 4.32Å; L391-W416 HydrophobicContact CG-CZ2 4.24Å |
| 392 | A | 98.5 | Very high | 98.1 | Very high | 41 Ų | 41 | 39.1 Ų | 39.1 | 34% | 0.339 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P388 Q389 A394 T395 E396 | P388-A392 WeakPolarHBondContact O-CB 3.46Å; P388-A392 PolarHBondContact O-N 3.06Å; Q389-A392 PolarHBondContact O-N 2.81Å; A392-A394 PolarHBondContact O-N 3.16Å; A392-T395 WeakPolarHBondContact O-CB 3.29Å; A392-T395 PolarHBondContact O-N 2.92Å; A392-E396 PolarHBondContact O-N 3.41Å |
| 393 | Q | 98.6 | Very high | 98.1 | Very high | 60 Ų | 60 | 39.2 Ų | 39.2 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.7 | -45.7 | 173.5 | -176.5 | -177.5 | 2.2 | 0 | 0 | 111.5 | D296 Y349 Q389 V390 T395 E396 M397 | D296-Q393 PolarHBondContact O-NE2 3.15Å; D296-Q393 PolarHBondContact O-OE1 3.45Å; Y349-Q393 PolarHBondContact OH-OE1 3.34Å; Q389-Q393 WeakPolarHBondContact O-CB 3.11Å; Q389-Q393 PolarHBondContact O-N 2.85Å; V390-Q393 PolarHBondContact O-N 3.09Å; Q393-T395 VanDerWaalsContact C-N 3.32Å; Q393-T395 PolarHBondContact O-N 2.98Å; Q393-E396 PolarHBondContact O-N 3.03Å; Q393-M397 HydrophobicContact CG-SD 3.96Å; Q393-M397 VanDerWaalsContact O-CG 3.24Å; Q393-M397 WeakPolarHBondContact O-CG 3.42Å; Q393-M397 PolarHBondContact O-N 2.82Å |
| 394 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | M291 F292 V352 F356 V390 L391 A392 M397 M398 | M291-A394 HydrophobicContact CE-CB 3.77Å; F292-A394 HydrophobicContact CZ-CB 3.85Å; V352-A394 HydrophobicContact CG1-CB 3.76Å; F356-A394 HydrophobicContact CD2-CB 4.46Å; F356-A394 HydrophobicContact CE2-CB 3.99Å; V390-A394 WeakPolarHBondContact O-CB 3.39Å; V390-A394 PolarHBondContact O-N 3.41Å; L391-A394 PolarHBondContact O-N 3.1Å; A392-A394 PolarHBondContact O-N 3.16Å; A394-M397 PolarHBondContact O-N 2.93Å; A394-M398 WeakPolarHBondContact O-CE 3.42Å; A394-M398 WeakPolarHBondContact O-CG 3.48Å; A394-M398 PolarHBondContact O-N 3.43Å |
| 395 | T | 98.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 178.6 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | L391 A392 Q393 M398 Y399 W416 F417 W428 W433 | L391-T395 WeakPolarHBondContact O-CB 3.46Å; L391-T395 PolarHBondContact O-N 3.49Å; L391-T395 PolarHBondContact O-OG1 2.83Å; A392-T395 WeakPolarHBondContact O-CB 3.29Å; A392-T395 PolarHBondContact O-N 2.92Å; Q393-T395 VanDerWaalsContact C-N 3.32Å; Q393-T395 PolarHBondContact O-N 2.98Å; T395-M398 PolarHBondContact O-N 3.35Å; T395-Y399 PolarHBondContact O-N 3.27Å; T395-W416 HydrophobicContact CG2-CH2 4.4Å; T395-W416 HydrophobicContact CG2-CZ3 4.27Å; T395-W416 WeakPolarHBondContact OG1-CH2 3.27Å; T395-F417 HydrophobicContact CG2-CD2 3.8Å; T395-F417 HydrophobicContact CG2-CE2 3.58Å; T395-F417 HydrophobicContact CG2-CZ 4.22Å; T395-W428 HydrophobicContact CG2-CH2 3.66Å; T395-W428 HydrophobicContact CG2-CZ2 4.03Å; T395-W428 HydrophobicContact CG2-CZ3 4.24Å; T395-W433 HydrophobicContact CG2-CH2 4.41Å; T395-W433 HydrophobicContact CG2-CZ2 4.25Å |
| 396 | E | 98.7 | Very high | 98.3 | Very high | 53 Ų | 53 | 30.7 Ų | 30.7 | 25% | 0.248 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 177.1 | -178.7 | 55.8 | -153.4 | 0 | 0 | 111.8 | A392 Q393 M398 Y399 M400 W433 | A392-E396 PolarHBondContact O-N 3.41Å; Q393-E396 PolarHBondContact O-N 3.03Å; E396-M398 VanDerWaalsContact C-N 3.33Å; E396-M398 PolarHBondContact O-N 3.16Å; E396-Y399 PolarHBondContact O-N 3.15Å; E396-M400 WeakPolarHBondContact O-CG 3.36Å; E396-M400 PolarHBondContact O-N 3.41Å; E396-M400 WeakPolarHBondContact OE1-CE 3.39Å; E396-M400 WeakPolarHBondContact OE1-CG 3.05Å; E396-W433 PolarHBondContact OE2-NE1 3.44Å |
| 397 | M | 98.7 | Very high | 98.5 | Very high | 20 Ų | 20 | 29.2 Ų | 29.2 | 10% | 0.099 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 177.6 | -67.9 | 166.5 | 76.7 | 0 | 0 | 112.3 | M291 F292 D296 Q393 A394 M400 R401 | M291-M397 HydrophobicContact CE-CB 4.16Å; M291-M397 HydrophobicContact CE-SD 4.48Å; M291-M397 WeakPolarHBondContact O-CE 3.49Å; F292-M397 HydrophobicContact CD1-CE 3.75Å; F292-M397 HydrophobicContact CD1-SD 3.86Å; F292-M397 HydrophobicContact CE1-CE 4.03Å; F292-M397 HydrophobicContact CE1-SD 3.52Å; F292-M397 VanDerWaalsContact CE1-SD 3.52Å; D296-M397 WeakPolarHBondContact OD1-CE 3.41Å; Q393-M397 HydrophobicContact CG-SD 3.96Å; Q393-M397 VanDerWaalsContact O-CG 3.24Å; Q393-M397 WeakPolarHBondContact O-CG 3.42Å; Q393-M397 PolarHBondContact O-N 2.82Å; A394-M397 PolarHBondContact O-N 2.93Å; M397-M400 PolarHBondContact O-N 3.21Å; M397-R401 WeakPolarHBondContact O-CB 3.39Å; M397-R401 WeakPolarHBondContact O-CD 3.28Å; M397-R401 WeakPolarHBondContact O-CG 3.32Å; M397-R401 PolarHBondContact O-N 3.48Å |
| 398 | M | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.2 | -42.3 | 177 | -70.6 | -175.9 | -66.9 | 0 | 0 | 111.8 | W217 M291 F356 F360 A394 T395 E396 R401 L402 M405 L413 W416 | W217-M398 HydrophobicContact CH2-CG 4.41Å; W217-M398 HydrophobicContact CZ2-CG 4.18Å; M291-M398 HydrophobicContact CE-CG 3.96Å; F356-M398 HydrophobicContact CD1-CE 4.15Å; F356-M398 HydrophobicContact CD1-SD 4.13Å; F356-M398 HydrophobicContact CD2-CE 4.16Å; F356-M398 HydrophobicContact CD2-SD 4.41Å; F356-M398 HydrophobicContact CE1-CE 3.73Å; F356-M398 HydrophobicContact CE1-SD 4.29Å; F356-M398 HydrophobicContact CE2-CE 3.73Å; F356-M398 HydrophobicContact CG-CE 4.36Å; F356-M398 HydrophobicContact CG-SD 4.21Å; F356-M398 HydrophobicContact CZ-CE 3.5Å; F356-M398 HydrophobicContact CZ-SD 4.5Å; F360-M398 HydrophobicContact CE2-SD 3.39Å; F360-M398 WeakPolarHBondContact CE2-SD 3.21Å; F360-M398 HydrophobicContact CZ-SD 3.79Å; A394-M398 WeakPolarHBondContact O-CE 3.42Å; A394-M398 WeakPolarHBondContact O-CG 3.48Å; A394-M398 PolarHBondContact O-N 3.43Å; T395-M398 PolarHBondContact O-N 3.35Å; E396-M398 VanDerWaalsContact C-N 3.33Å; E396-M398 PolarHBondContact O-N 3.16Å; M398-R401 CarbonylContact O-C 3.47Å; M398-R401 PolarHBondContact O-N 2.83Å; M398-L402 PolarHBondContact O-N 2.94Å; M398-M405 HydrophobicContact CB-CE 4.24Å; M398-M405 HydrophobicContact CG-CE 4.42Å; M398-L413 HydrophobicContact CB-CD1 4.36Å; M398-L413 HydrophobicContact CB-CD2 4.07Å; M398-L413 HydrophobicContact CE-CD1 3.55Å; M398-L413 HydrophobicContact SD-CD1 3.76Å; M398-W416 HydrophobicContact CE-CZ3 4.18Å |
| 399 | Y | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.8 | -48.2 | 173.9 | 172.6 | -94.9 | 0 | 0 | 0 | 111.6 | T395 E396 R401 L402 W433 D435 C436 K445 F448 V449 | T395-Y399 PolarHBondContact O-N 3.27Å; E396-Y399 PolarHBondContact O-N 3.15Å; Y399-R401 PolarHBondContact O-N 3.38Å; Y399-R401 VanDerWaalsContact O-N 3.17Å; Y399-L402 HydrophobicContact CD2-CD1 3.78Å; Y399-L402 HydrophobicContact CE2-CD1 4.32Å; Y399-L402 HydrophobicContact CG-CD1 4.43Å; Y399-L402 WeakPolarHBondContact O-CB 3.48Å; Y399-L402 WeakPolarHBondContact O-CG 3.37Å; Y399-L402 PolarHBondContact O-N 3.46Å; Y399-W433 AromaticContact CD1-CD1 3.47Å; Y399-W433 VanDerWaalsContact CD1-CD1 3.47Å; Y399-W433 HydrophobicContact CD1-CD2 4.14Å; Y399-W433 AromaticContact CD1-CE2 3.83Å; Y399-W433 AromaticContact CD1-CG 3.93Å; Y399-W433 HydrophobicContact CD1-CG 3.93Å; Y399-W433 AromaticContact CD1-NE1 3.43Å; Y399-W433 AromaticContact CD2-CD2 3.65Å; Y399-W433 HydrophobicContact CD2-CD2 3.65Å; Y399-W433 AromaticContact CD2-CE2 3.66Å; Y399-W433 AromaticContact CD2-CE3 3.91Å; Y399-W433 HydrophobicContact CD2-CE3 3.91Å; Y399-W433 HydrophobicContact CD2-CG 4.14Å; Y399-W433 HydrophobicContact CD2-CH2 4.15Å; Y399-W433 AromaticContact CD2-CZ2 3.92Å; Y399-W433 HydrophobicContact CD2-CZ2 3.92Å; Y399-W433 HydrophobicContact CD2-CZ3 4.14Å; Y399-W433 HydrophobicContact CE1-CB 4.01Å; Y399-W433 AromaticContact CE1-CD1 3.43Å; Y399-W433 VanDerWaalsContact CE1-CD1 3.43Å; Y399-W433 HydrophobicContact CE1-CD2 4.16Å; Y399-W433 AromaticContact CE1-CG 3.61Å; Y399-W433 HydrophobicContact CE1-CG 3.61Å; Y399-W433 AromaticContact CE1-NE1 3.9Å; Y399-W433 HydrophobicContact CE2-CB 4.15Å; Y399-W433 AromaticContact CE2-CD2 3.65Å; Y399-W433 HydrophobicContact CE2-CD2 3.65Å; Y399-W433 AromaticContact CE2-CE3 3.85Å; Y399-W433 HydrophobicContact CE2-CE3 3.85Å; Y399-W433 AromaticContact CE2-CG 3.81Å; Y399-W433 HydrophobicContact CE2-CG 3.81Å; Y399-W433 HydrophobicContact CE2-CZ3 4.46Å; Y399-W433 AromaticContact CG-CD1 3.96Å; Y399-W433 AromaticContact CG-CD2 3.89Å; Y399-W433 HydrophobicContact CG-CD2 3.89Å; Y399-W433 AromaticContact CG-CE2 3.47Å; Y399-W433 VanDerWaalsContact CG-CE2 3.47Å; Y399-W433 HydrophobicContact CG-CG 4.18Å; Y399-W433 HydrophobicContact CG-CH2 4.47Å; Y399-W433 AromaticContact CG-CZ2 3.8Å; Y399-W433 HydrophobicContact CG-CZ2 3.8Å; Y399-W433 AromaticContact CG-NE1 3.57Å; Y399-W433 AromaticContact CZ-CD1 3.85Å; Y399-W433 AromaticContact CZ-CD2 3.91Å; Y399-W433 AromaticContact CZ-CG 3.52Å; Y399-W433 WeakPolarHBondContact OH-CB 3.38Å; Y399-W433 PolarHBondContact OH-O 2.84Å; Y399-D435 PolarHBondContact OH-OD1 3.49Å; Y399-D435 VanDerWaalsContact OH-OD1 3.12Å; Y399-C436 VanDerWaalsContact OH-CB 3.32Å; Y399-C436 WeakPolarHBondContact OH-CB 3.3Å; Y399-K445 HydrophobicContact CE1-CD 4.01Å; Y399-K445 HydrophobicContact CE1-CG 4.42Å; Y399-K445 HydrophobicContact CE2-CB 4.1Å; Y399-K445 HydrophobicContact CE2-CG 4.14Å; Y399-F448 HydrophobicContact CD2-CD1 4.13Å; Y399-F448 HydrophobicContact CD2-CE1 4.4Å; Y399-V449 HydrophobicContact CE2-CG2 4.08Å |
| 400 | M | 98.6 | Very high | 98.6 | Very high | 76 Ų | 76 | 22.9 Ų | 22.9 | 37% | 0.374 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -66 | -18.6 | 180 | -71.3 | -61.9 | 169.4 | 0 | 0 | 113.6 | E396 M397 K445 | E396-M400 WeakPolarHBondContact O-CG 3.36Å; E396-M400 PolarHBondContact O-N 3.41Å; E396-M400 WeakPolarHBondContact OE1-CE 3.39Å; E396-M400 WeakPolarHBondContact OE1-CG 3.05Å; M397-M400 PolarHBondContact O-N 3.21Å; M400-K445 PolarHBondContact SD-NZ 2.72Å; M400-K445 VanDerWaalsContact SD-NZ 3.38Å |
| 401 | R | 98.6 | Very high | 98.6 | Very high | 42 Ų | 42 | 23.1 Ų | 23.1 | 16% | 0.158 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 14.4 | 179.6 | -61.8 | 170.5 | -169.7 | 178.7 | 2.7 | 113 | W217 M291 M397 M398 Y399 D403 | W217-R401 HydrophobicContact CZ2-CB 4.36Å; W217-R401 PolarHBondContact NE1-O 3.37Å; M291-R401 PolarHBondContact O-NH1 2.78Å; M291-R401 PolarHBondContact O-NH2 2.66Å; M397-R401 WeakPolarHBondContact O-CB 3.39Å; M397-R401 WeakPolarHBondContact O-CD 3.28Å; M397-R401 WeakPolarHBondContact O-CG 3.32Å; M397-R401 PolarHBondContact O-N 3.48Å; M398-R401 CarbonylContact O-C 3.47Å; M398-R401 PolarHBondContact O-N 2.83Å; Y399-R401 PolarHBondContact O-N 3.38Å; Y399-R401 VanDerWaalsContact O-N 3.17Å; R401-D403 PolarHBondContact O-N 3.04Å |
| 402 | L | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -61.8 | -28.3 | -178.2 | -82.1 | 170.9 | 0 | 0 | 0 | 114.1 | M398 Y399 T404 M405 I410 L413 P444 K445 F448 | M398-L402 PolarHBondContact O-N 2.94Å; Y399-L402 HydrophobicContact CD2-CD1 3.78Å; Y399-L402 HydrophobicContact CE2-CD1 4.32Å; Y399-L402 HydrophobicContact CG-CD1 4.43Å; Y399-L402 WeakPolarHBondContact O-CB 3.48Å; Y399-L402 WeakPolarHBondContact O-CG 3.37Å; Y399-L402 PolarHBondContact O-N 3.46Å; L402-T404 PolarHBondContact O-N 2.63Å; L402-T404 VanDerWaalsContact O-N 3.17Å; L402-M405 HydrophobicContact CD2-SD 4.15Å; L402-M405 PolarHBondContact O-N 2.84Å; L402-M405 VanDerWaalsContact O-N 3.09Å; L402-I410 HydrophobicContact CD2-CD1 4.25Å; L402-I410 HydrophobicContact CD2-CG1 3.94Å; L402-I410 HydrophobicContact CD2-CG2 4.43Å; L402-L413 HydrophobicContact CD2-CD2 4.03Å; L402-P444 HydrophobicContact CB-CB 4.01Å; L402-K445 HydrophobicContact CB-CG 4.36Å; L402-K445 HydrophobicContact CD1-CG 4.23Å; L402-F448 HydrophobicContact CD1-CB 3.66Å; L402-F448 HydrophobicContact CD1-CD1 3.79Å; L402-F448 HydrophobicContact CD1-CD2 4.32Å; L402-F448 HydrophobicContact CD1-CG 3.66Å; L402-F448 HydrophobicContact CD2-CD2 4.28Å; L402-F448 HydrophobicContact CD2-CG 4.42Å |
| 403 | D | 97.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 22 Ų | 22 | 44% | 0.444 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -57.4 | -37.2 | -170.8 | -68.3 | -42.4 | 0 | 0 | 0 | 113.6 | R401 | R401-D403 PolarHBondContact O-N 3.04Š|
| 404 | T | 98.4 | Very high | 98.6 | Very high | 41 Ų | 41 | 19.3 Ų | 19.3 | 25% | 0.252 | 10% | 0.097 | S | C | . | . | G | 310 helix | trans | -110.7 | 7.4 | 179.1 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | W217 T218 A219 L402 | W217-T404 WeakPolarHBondContact CA-O 3.41Å; T218-T404 PolarHBondContact N-O 2.78Å; T218-T404 WeakPolarHBondContact OG1-CB 3.29Å; A219-T404 HydrophobicContact CB-CG2 3.93Å; A219-T404 VanDerWaalsContact CB-OG1 3.3Å; A219-T404 WeakPolarHBondContact CB-OG1 3.47Å; L402-T404 PolarHBondContact O-N 2.63Å; L402-T404 VanDerWaalsContact O-N 3.17Å |
| 405 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -69.6 | 139 | 176.9 | -169.2 | -179.8 | -84.1 | 0 | 0 | 109.6 | V216 W217 M398 L402 C409 I410 L413 K747 | V216-M405 HydrophobicContact CG1-CG 4.24Å; V216-M405 CarbonylContact O-C 3.43Å; V216-M405 VanDerWaalsContact O-CA 3.24Å; V216-M405 WeakPolarHBondContact O-CA 3.48Å; W217-M405 VanDerWaalsContact CE2-CE 3.43Å; W217-M405 HydrophobicContact CH2-CE 4.27Å; W217-M405 HydrophobicContact CZ2-CE 3.23Å; M398-M405 HydrophobicContact CB-CE 4.24Å; M398-M405 HydrophobicContact CG-CE 4.42Å; L402-M405 HydrophobicContact CD2-SD 4.15Å; L402-M405 PolarHBondContact O-N 2.84Å; L402-M405 VanDerWaalsContact O-N 3.09Å; M405-C409 HydrophobicContact CG-CB 3.96Å; M405-C409 HydrophobicContact SD-CB 4.15Å; M405-I410 HydrophobicContact CB-CD1 4.1Å; M405-I410 HydrophobicContact CB-CG1 3.81Å; M405-I410 HydrophobicContact CG-CG1 3.75Å; M405-I410 HydrophobicContact SD-CG1 3.7Å; M405-L413 HydrophobicContact CE-CD2 4.26Å; M405-L413 HydrophobicContact SD-CD2 4.16Å; M405-K747 PolarHBondContact O-NZ 3.46Å |
| 406 | N | 98.7 | Very high | 98.6 | Very high | 8 Ų | 8 | 21.7 Ų | 21.7 | 4% | 0.043 | 11% | 0.109 | C | C | . | . | trans | -64.8 | 136.1 | 174.9 | -174.3 | -83.1 | 0 | 0 | 0 | 110.4 | V216 L362 T408 C409 I410 Q754 | V216-N406 PolarHBondContact O-N 3.18Å; L362-N406 HydrophobicContact CD1-CB 4.36Å; N406-T408 PolarHBondContact O-N 3.23Å; N406-T408 VanDerWaalsContact O-N 3.16Å; N406-T408 VanDerWaalsContact OD1-CB 3.24Å; N406-T408 WeakPolarHBondContact OD1-CB 3.35Å; N406-T408 PolarHBondContact OD1-N 3.38Å; N406-T408 PolarHBondContact OD1-OG1 3.48Å; N406-C409 WeakPolarHBondContact O-CA 3.29Å; N406-C409 WeakPolarHBondContact O-CB 3.26Å; N406-C409 PolarHBondContact O-N 3.43Å; N406-I410 PolarHBondContact O-N 2.99Å; N406-Q754 PolarHBondContact ND2-OE1 3.33Å | ||
| 407 | T | 98.6 | Very high | 98.7 | Very high | 10 Ų | 10 | 19.1 Ų | 19.1 | 6% | 0.061 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -54.5 | -36.4 | -178.2 | -65.6 | 0 | 0 | 0 | 0 | 112.9 | C409 I410 D411 E751 R752 | T407-C409 VanDerWaalsContact C-N 3.3Å; T407-C409 PolarHBondContact O-N 3.22Å; T407-I410 PolarHBondContact O-N 3.23Å; T407-D411 VanDerWaalsContact O-CG 3.29Å; T407-D411 PolarHBondContact O-N 2.87Å; T407-E751 VanDerWaalsContact CB-OE2 3.22Å; T407-E751 WeakPolarHBondContact CB-OE2 3.42Å; T407-E751 PolarHBondContact N-OE2 3.34Å; T407-E751 PolarHBondContact OG1-OE2 2.66Å; T407-R752 HydrophobicContact CG2-CG 4.49Å; T407-R752 VanDerWaalsContact CG2-NE 3.33Å; T407-R752 VanDerWaalsContact CG2-NH2 3.29Å |
| 408 | T | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.012 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63 | -37.6 | 176.1 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | L362 N406 R412 Q755 | L362-T408 HydrophobicContact CD2-CG2 3.8Å; N406-T408 PolarHBondContact O-N 3.23Å; N406-T408 VanDerWaalsContact O-N 3.16Å; N406-T408 VanDerWaalsContact OD1-CB 3.24Å; N406-T408 WeakPolarHBondContact OD1-CB 3.35Å; N406-T408 PolarHBondContact OD1-N 3.38Å; N406-T408 PolarHBondContact OD1-OG1 3.48Å; T408-R412 WeakPolarHBondContact O-CG 3.19Å; T408-R412 PolarHBondContact O-N 2.9Å; T408-Q755 HydrophobicContact CG2-CG 4.34Å; T408-Q755 WeakPolarHBondContact OG1-CG 3.22Å |
| 409 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -74.5 | -38 | 177.1 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | V216 F360 M405 N406 T407 D411 R412 L413 | V216-C409 HydrophobicContact CG1-CB 4.05Å; F360-C409 HydrophobicContact CB-CB 4.22Å; F360-C409 HydrophobicContact CD1-CB 3.85Å; F360-C409 WeakPolarHBondContact CE1-O 3.4Å; F360-C409 HydrophobicContact CG-CB 4.24Å; F360-C409 PolarHBondContact O-SG 2.74Å; M405-C409 HydrophobicContact CG-CB 3.96Å; M405-C409 HydrophobicContact SD-CB 4.15Å; N406-C409 WeakPolarHBondContact O-CA 3.29Å; N406-C409 WeakPolarHBondContact O-CB 3.26Å; N406-C409 PolarHBondContact O-N 3.43Å; T407-C409 VanDerWaalsContact C-N 3.3Å; T407-C409 PolarHBondContact O-N 3.22Å; C409-D411 VanDerWaalsContact C-N 3.31Å; C409-D411 PolarHBondContact O-N 2.89Å; C409-R412 PolarHBondContact O-N 3.14Å; C409-R412 VanDerWaalsContact O-N 3.14Å; C409-L413 PolarHBondContact O-N 3.01Å |
| 410 | I | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 22.2 Ų | 22.2 | 13% | 0.128 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.2 | -43.8 | 173.8 | -64.4 | 176.1 | 0 | 0 | 0 | 110.5 | L402 M405 N406 T407 R412 L413 L414 F448 | L402-I410 HydrophobicContact CD2-CD1 4.25Å; L402-I410 HydrophobicContact CD2-CG1 3.94Å; L402-I410 HydrophobicContact CD2-CG2 4.43Å; M405-I410 HydrophobicContact CB-CD1 4.1Å; M405-I410 HydrophobicContact CB-CG1 3.81Å; M405-I410 HydrophobicContact CG-CG1 3.75Å; M405-I410 HydrophobicContact SD-CG1 3.7Å; N406-I410 PolarHBondContact O-N 2.99Å; T407-I410 PolarHBondContact O-N 3.23Å; I410-R412 VanDerWaalsContact C-N 3.29Å; I410-R412 PolarHBondContact O-N 3.33Å; I410-L413 PolarHBondContact O-N 2.9Å; I410-L414 VanDerWaalsContact O-CB 3.23Å; I410-L414 WeakPolarHBondContact O-CB 3.45Å; I410-L414 PolarHBondContact O-N 3.47Å; I410-F448 HydrophobicContact CG2-CD2 4.15Å |
| 411 | D | 98.6 | Very high | 98.7 | Very high | 13 Ų | 13 | 18.7 Ų | 18.7 | 7% | 0.07 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.4 | -42.3 | 176.1 | -70.1 | -12.2 | 0 | 0 | 0 | 112.3 | T407 C409 L414 N415 F635 R752 Q755 | T407-D411 VanDerWaalsContact O-CG 3.29Å; T407-D411 PolarHBondContact O-N 2.87Å; C409-D411 VanDerWaalsContact C-N 3.31Å; C409-D411 PolarHBondContact O-N 2.89Å; D411-L414 WeakPolarHBondContact O-CB 3.44Å; D411-N415 PolarHBondContact O-N 3.45Å; D411-N415 PolarHBondContact O-ND2 3.48Å; D411-F635 HydrophobicContact CB-CD2 4.14Å; D411-F635 HydrophobicContact CB-CE2 3.48Å; D411-F635 VanDerWaalsContact CB-CE2 3.48Å; D411-F635 HydrophobicContact CB-CZ 4.17Å; D411-F635 WeakPolarHBondContact OD1-CD2 3.35Å; D411-F635 WeakPolarHBondContact OD1-CE2 3.29Å; D411-F635 WeakPolarHBondContact OD2-CE2 3.49Å; D411-R752 IonicContact OD1-CZ 3.77Å; D411-R752 IonicContact OD1-NH1 2.87Å; D411-R752 IonicContact OD1-NH2 3.63Å; D411-R752 PolarHBondContact OD1-NH2 3.28Å; D411-R752 IonicContact OD2-CZ 3.21Å; D411-R752 IonicContact OD2-NH1 3.77Å; D411-R752 PolarHBondContact OD2-NH1 2.88Å; D411-R752 IonicContact OD2-NH2 3.6Å; D411-R752 PolarHBondContact OD2-NH2 2.95Å; D411-Q755 PolarHBondContact OD2-NE2 2.9Å |
| 412 | R | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 18.4 Ų | 18.4 | 7% | 0.072 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -71.3 | -39.4 | 179.4 | -64.5 | 179 | -162.3 | 163 | 4.2 | 111.1 | L359 F360 Q361 P363 T408 C409 I410 L414 N415 W416 | L359-R412 HydrophobicContact CD1-CB 4.23Å; L359-R412 HydrophobicContact CG-CB 4.26Å; L359-R412 WeakPolarHBondContact O-CD 3.26Å; L359-R412 PolarHBondContact O-NH1 3.08Å; F360-R412 HydrophobicContact CD1-CB 4.18Å; F360-R412 HydrophobicContact CE1-CB 4.08Å; Q361-R412 PolarHBondContact O-NH1 3.45Å; P363-R412 PolarHBondContact O-NH2 3.32Å; T408-R412 WeakPolarHBondContact O-CG 3.19Å; T408-R412 PolarHBondContact O-N 2.9Å; C409-R412 PolarHBondContact O-N 3.14Å; C409-R412 VanDerWaalsContact O-N 3.14Å; I410-R412 VanDerWaalsContact C-N 3.29Å; I410-R412 PolarHBondContact O-N 3.33Å; R412-L414 VanDerWaalsContact C-N 3.35Å; R412-N415 PolarHBondContact O-N 3.32Å; R412-W416 VanDerWaalsContact O-CB 3.28Å; R412-W416 WeakPolarHBondContact O-CB 3.33Å; R412-W416 PolarHBondContact O-N 3.29Å |
| 413 | L | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.2 | -45 | 175.3 | 179.5 | 66.9 | 0 | 0 | 0 | 110.5 | F360 M398 L402 M405 C409 I410 W416 F417 F448 | F360-L413 HydrophobicContact CE1-CB 3.83Å; F360-L413 HydrophobicContact CZ-CB 3.92Å; F360-L413 HydrophobicContact CZ-CD1 3.88Å; F360-L413 HydrophobicContact CZ-CG 4.46Å; M398-L413 HydrophobicContact CB-CD1 4.36Å; M398-L413 HydrophobicContact CB-CD2 4.07Å; M398-L413 HydrophobicContact CE-CD1 3.55Å; M398-L413 HydrophobicContact SD-CD1 3.76Å; L402-L413 HydrophobicContact CD2-CD2 4.03Å; M405-L413 HydrophobicContact CE-CD2 4.26Å; M405-L413 HydrophobicContact SD-CD2 4.16Å; C409-L413 PolarHBondContact O-N 3.01Å; I410-L413 PolarHBondContact O-N 2.9Å; L413-W416 HydrophobicContact CD1-CE3 3.71Å; L413-W416 HydrophobicContact CD1-CZ3 3.85Å; L413-W416 PolarHBondContact O-N 3.36Å; L413-F417 WeakPolarHBondContact O-CB 3.45Å; L413-F417 PolarHBondContact O-N 2.62Å; L413-F448 HydrophobicContact CB-CE2 4.24Å; L413-F448 HydrophobicContact CD2-CE2 3.74Å; L413-F448 HydrophobicContact CD2-CZ 3.88Å; L413-F448 HydrophobicContact CG-CE2 3.71Å; L413-F448 HydrophobicContact CG-CZ 3.84Å |
| 414 | L | 98.4 | Very high | 98.7 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.7 | -52.3 | 175.3 | 162.8 | 64.2 | 0 | 0 | 0 | 111.6 | I410 D411 R412 S418 F448 E451 V452 K455 F635 | I410-L414 VanDerWaalsContact O-CB 3.23Å; I410-L414 WeakPolarHBondContact O-CB 3.45Å; I410-L414 PolarHBondContact O-N 3.47Å; D411-L414 WeakPolarHBondContact O-CB 3.44Å; R412-L414 VanDerWaalsContact C-N 3.35Å; L414-S418 WeakPolarHBondContact O-CB 3.24Å; L414-S418 PolarHBondContact O-N 3.21Å; L414-S418 VanDerWaalsContact O-N 3.11Å; L414-S418 PolarHBondContact O-OG 2.9Å; L414-F448 HydrophobicContact CB-CD2 4.49Å; L414-F448 HydrophobicContact CB-CE2 4.18Å; L414-E451 HydrophobicContact CD1-CB 3.73Å; L414-E451 WeakPolarHBondContact CD1-O 3.48Å; L414-E451 HydrophobicContact CD2-CB 3.73Å; L414-E451 HydrophobicContact CG-CB 4.39Å; L414-V452 HydrophobicContact CD1-CB 4.03Å; L414-V452 HydrophobicContact CD1-CG2 3.48Å; L414-V452 VanDerWaalsContact CD1-CG2 3.48Å; L414-K455 HydrophobicContact CD1-CB 4.49Å; L414-K455 HydrophobicContact CD1-CG 3.99Å; L414-K455 HydrophobicContact CG-CG 4.21Å; L414-F635 HydrophobicContact CD2-CB 4Å; L414-F635 HydrophobicContact CD2-CD1 3.59Å; L414-F635 HydrophobicContact CD2-CD2 4.18Å; L414-F635 HydrophobicContact CD2-CE1 4.1Å; L414-F635 HydrophobicContact CD2-CG 3.63Å |
| 415 | N | 98.8 | Very high | 98.7 | Very high | 52 Ų | 52 | 24.3 Ų | 24.3 | 28% | 0.278 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -67 | -42.7 | -179.6 | -75 | -59.2 | 0 | 0 | 0 | 111.8 | D411 R412 S418 H419 K455 F635 | D411-N415 PolarHBondContact O-N 3.45Å; D411-N415 PolarHBondContact O-ND2 3.48Å; R412-N415 PolarHBondContact O-N 3.32Å; N415-S418 PolarHBondContact O-OG 3.34Å; N415-H419 WeakPolarHBondContact O-CB 3.2Å; N415-H419 PolarHBondContact O-N 3.11Å; N415-K455 VanDerWaalsContact OD1-CE 3.27Å; N415-K455 WeakPolarHBondContact OD1-CE 3.31Å; N415-K455 PolarHBondContact OD1-NZ 3.17Å; N415-F635 WeakPolarHBondContact ND2-CZ 3.42Å |
| 416 | W | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 176.3 | 164.2 | 84.8 | 0 | 0 | 0 | 111.6 | F356 L359 L376 L391 T395 M398 R412 L413 H419 H420 | F356-W416 AromaticContact CE1-CD2 3.86Å; F356-W416 HydrophobicContact CE1-CD2 3.86Å; F356-W416 AromaticContact CE1-CE2 3.82Å; F356-W416 HydrophobicContact CE1-CE3 4.03Å; F356-W416 HydrophobicContact CE1-CG 4.44Å; F356-W416 HydrophobicContact CE1-CH2 4.22Å; F356-W416 HydrophobicContact CE1-CZ2 4.05Å; F356-W416 HydrophobicContact CE1-CZ3 4.2Å; F356-W416 HydrophobicContact CZ-CD2 4.22Å; F356-W416 AromaticContact CZ-CE2 3.78Å; F356-W416 HydrophobicContact CZ-CE3 4.31Å; F356-W416 AromaticContact CZ-CH2 3.66Å; F356-W416 HydrophobicContact CZ-CH2 3.66Å; F356-W416 AromaticContact CZ-CZ2 3.54Å; F356-W416 HydrophobicContact CZ-CZ2 3.54Å; F356-W416 HydrophobicContact CZ-CZ3 4.03Å; L359-W416 HydrophobicContact CD2-CB 3.88Å; L359-W416 HydrophobicContact CD2-CG 4.08Å; L376-W416 HydrophobicContact CD1-CZ2 4.23Å; L376-W416 VanDerWaalsContact CD1-NE1 3.25Å; L391-W416 HydrophobicContact CD1-CH2 4.24Å; L391-W416 HydrophobicContact CD1-CZ2 3.81Å; L391-W416 HydrophobicContact CD2-CZ2 4.32Å; L391-W416 HydrophobicContact CG-CZ2 4.24Å; T395-W416 HydrophobicContact CG2-CH2 4.4Å; T395-W416 HydrophobicContact CG2-CZ3 4.27Å; T395-W416 WeakPolarHBondContact OG1-CH2 3.27Å; M398-W416 HydrophobicContact CE-CZ3 4.18Å; R412-W416 VanDerWaalsContact O-CB 3.28Å; R412-W416 WeakPolarHBondContact O-CB 3.33Å; R412-W416 PolarHBondContact O-N 3.29Å; L413-W416 HydrophobicContact CD1-CE3 3.71Å; L413-W416 HydrophobicContact CD1-CZ3 3.85Å; L413-W416 PolarHBondContact O-N 3.36Å; W416-H419 PolarHBondContact O-N 2.86Å; W416-H420 HydrophobicContact CZ2-CB 4.4Å; W416-H420 VanDerWaalsContact O-CB 3.24Å; W416-H420 WeakPolarHBondContact O-CB 3.49Å; W416-H420 PolarHBondContact O-N 3.22Å |
| 417 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.4 | -47.6 | -172.2 | -176.6 | -124.6 | 0 | 0 | 0 | 111.2 | T395 L413 H419 H420 L421 W428 W430 W433 F448 V452 | T395-F417 HydrophobicContact CG2-CD2 3.8Å; T395-F417 HydrophobicContact CG2-CE2 3.58Å; T395-F417 HydrophobicContact CG2-CZ 4.22Å; L413-F417 WeakPolarHBondContact O-CB 3.45Å; L413-F417 PolarHBondContact O-N 2.62Å; F417-H419 VanDerWaalsContact C-N 3.34Å; F417-H419 PolarHBondContact O-N 3.19Å; F417-H420 WeakPolarHBondContact O-CB 3.47Å; F417-H420 PolarHBondContact O-N 3.39Å; F417-L421 HydrophobicContact CD1-CD1 4.08Å; F417-L421 HydrophobicContact CD2-CG 4.29Å; F417-L421 HydrophobicContact CE1-CD1 3.63Å; F417-L421 HydrophobicContact CE1-CG 4.29Å; F417-L421 HydrophobicContact CE2-CD1 4.2Å; F417-L421 HydrophobicContact CE2-CD2 3.95Å; F417-L421 HydrophobicContact CE2-CG 3.97Å; F417-L421 HydrophobicContact CZ-CD1 3.71Å; F417-L421 HydrophobicContact CZ-CD2 4Å; F417-L421 HydrophobicContact CZ-CG 3.98Å; F417-L421 WeakPolarHBondContact O-CB 3.42Å; F417-L421 WeakPolarHBondContact O-CG 3.3Å; F417-L421 PolarHBondContact O-N 2.99Å; F417-W428 HydrophobicContact CE2-CD2 4.12Å; F417-W428 AromaticContact CE2-CE3 3.93Å; F417-W428 HydrophobicContact CE2-CE3 3.93Å; F417-W428 HydrophobicContact CE2-CZ3 4.14Å; F417-W428 AromaticContact CZ-CD2 3.63Å; F417-W428 HydrophobicContact CZ-CD2 3.63Å; F417-W428 AromaticContact CZ-CE2 3.87Å; F417-W428 AromaticContact CZ-CE3 3.93Å; F417-W428 HydrophobicContact CZ-CE3 3.93Å; F417-W428 AromaticContact CZ-CG 3.9Å; F417-W428 HydrophobicContact CZ-CG 3.9Å; F417-W428 HydrophobicContact CZ-CZ2 4.4Å; F417-W428 HydrophobicContact CZ-CZ3 4.44Å; F417-W430 HydrophobicContact CE1-CH2 4.39Å; F417-W433 HydrophobicContact CD1-CH2 4.27Å; F417-W433 AromaticContact CE1-CH2 3.45Å; F417-W433 HydrophobicContact CE1-CH2 3.45Å; F417-W433 VanDerWaalsContact CE1-CH2 3.45Å; F417-W433 AromaticContact CE1-CZ3 3.66Å; F417-W433 HydrophobicContact CE1-CZ3 3.66Å; F417-W433 HydrophobicContact CE2-CH2 4.48Å; F417-W433 AromaticContact CZ-CH2 3.58Å; F417-W433 HydrophobicContact CZ-CH2 3.58Å; F417-W433 HydrophobicContact CZ-CZ2 4.49Å; F417-W433 HydrophobicContact CZ-CZ3 4.1Å; F417-F448 HydrophobicContact CD1-CE1 4.3Å; F417-F448 HydrophobicContact CD1-CZ 4.15Å; F417-V452 HydrophobicContact CD1-CB 4.5Å; F417-V452 HydrophobicContact CD1-CG1 3.71Å; F417-V452 HydrophobicContact CD1-CG2 3.92Å; F417-V452 HydrophobicContact CE1-CG1 3.98Å |
| 418 | S | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.6 | -41.8 | 176.3 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | L414 N415 S422 K455 | L414-S418 WeakPolarHBondContact O-CB 3.24Å; L414-S418 PolarHBondContact O-N 3.21Å; L414-S418 VanDerWaalsContact O-N 3.11Å; L414-S418 PolarHBondContact O-OG 2.9Å; N415-S418 PolarHBondContact O-OG 3.34Å; S418-S422 PolarHBondContact O-N 3.02Å; S418-S422 VanDerWaalsContact O-N 3.12Å; S418-K455 VanDerWaalsContact CB-CB 3.48Å; S418-K455 WeakPolarHBondContact OG-CB 3.36Å |
| 419 | H | 98.9 | Very high | 98.5 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 26% | 0.255 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -71 | -35.9 | 175.5 | -174.4 | -160.5 | 0 | 0 | 0 | 112.3 | T373 N415 W416 F417 S422 N423 | T373-H419 HydrophobicContact CG2-CB 4.26Å; N415-H419 WeakPolarHBondContact O-CB 3.2Å; N415-H419 PolarHBondContact O-N 3.11Å; W416-H419 PolarHBondContact O-N 2.86Å; F417-H419 VanDerWaalsContact C-N 3.34Å; F417-H419 PolarHBondContact O-N 3.19Å; H419-S422 PolarHBondContact O-N 3.46Å; H419-S422 PolarHBondContact O-OG 3.02Å; H419-N423 PolarHBondContact CD2-ND2 3Å; H419-N423 PolarHBondContact O-ND2 3.2Å |
| 420 | H | 98.8 | Very high | 98.5 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 13% | 0.125 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -51.4 | 172.3 | -178.5 | 85 | 0 | 0 | 0 | 110.4 | W416 F417 S422 N423 F424 | W416-H420 HydrophobicContact CZ2-CB 4.4Å; W416-H420 VanDerWaalsContact O-CB 3.24Å; W416-H420 WeakPolarHBondContact O-CB 3.49Å; W416-H420 PolarHBondContact O-N 3.22Å; F417-H420 WeakPolarHBondContact O-CB 3.47Å; F417-H420 PolarHBondContact O-N 3.39Å; H420-S422 VanDerWaalsContact C-N 3.29Å; H420-S422 PolarHBondContact O-N 3.19Å; H420-N423 WeakPolarHBondContact O-CB 3.49Å; H420-N423 PolarHBondContact O-N 3.38Å; H420-F424 AromaticContact CD2-CD2 3.99Å; H420-F424 AromaticContact CE1-CD2 3.74Å; H420-F424 AromaticContact CE1-CE2 3.3Å; H420-F424 WeakPolarHBondContact CE1-CE2 3.3Å; H420-F424 AromaticContact ND1-CE2 3.77Å; H420-F424 AromaticContact NE2-CD2 3.59Å; H420-F424 AromaticContact NE2-CE2 3.64Å; H420-F424 VanDerWaalsContact O-CD2 3.3Å; H420-F424 WeakPolarHBondContact O-CD2 3.49Å |
| 421 | L | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.1 | -41.8 | 177.8 | -72.7 | -178 | 0 | 0 | 0 | 112.6 | F417 N423 F424 Q425 F426 R427 W428 W430 V452 | F417-L421 HydrophobicContact CD1-CD1 4.08Å; F417-L421 HydrophobicContact CD2-CG 4.29Å; F417-L421 HydrophobicContact CE1-CD1 3.63Å; F417-L421 HydrophobicContact CE1-CG 4.29Å; F417-L421 HydrophobicContact CE2-CD1 4.2Å; F417-L421 HydrophobicContact CE2-CD2 3.95Å; F417-L421 HydrophobicContact CE2-CG 3.97Å; F417-L421 HydrophobicContact CZ-CD1 3.71Å; F417-L421 HydrophobicContact CZ-CD2 4Å; F417-L421 HydrophobicContact CZ-CG 3.98Å; F417-L421 WeakPolarHBondContact O-CB 3.42Å; F417-L421 WeakPolarHBondContact O-CG 3.3Å; F417-L421 PolarHBondContact O-N 2.99Å; L421-N423 PolarHBondContact O-N 3.43Å; L421-N423 VanDerWaalsContact O-N 3.15Å; L421-F424 CarbonylContact O-C 3.5Å; L421-F424 PolarHBondContact O-N 3.11Å; L421-Q425 PolarHBondContact O-N 2.97Å; L421-F426 HydrophobicContact CB-CD1 4.02Å; L421-F426 WeakPolarHBondContact O-CA 3.11Å; L421-F426 PolarHBondContact O-N 2.99Å; L421-R427 WeakPolarHBondContact CD2-O 3.42Å; L421-W428 HydrophobicContact CD2-CB 3.94Å; L421-W430 HydrophobicContact CD1-CH2 3.96Å; L421-W430 HydrophobicContact CD1-CZ2 3.97Å; L421-V452 HydrophobicContact CD1-CG1 4.32Å |
| 422 | S | 98.7 | Very high | 98.3 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.1 | -23.6 | 178.9 | 78.4 | 0 | 0 | 0 | 0 | 113.5 | S418 H419 H420 F426 | S418-S422 PolarHBondContact O-N 3.02Å; S418-S422 VanDerWaalsContact O-N 3.12Å; H419-S422 PolarHBondContact O-N 3.46Å; H419-S422 PolarHBondContact O-OG 3.02Å; H420-S422 VanDerWaalsContact C-N 3.29Å; H420-S422 PolarHBondContact O-N 3.19Å; S422-F426 VanDerWaalsContact CA-CE1 3.45Å; S422-F426 VanDerWaalsContact CB-CE1 3.48Å |
| 423 | N | 98.6 | Very high | 98.3 | Very high | 73 Ų | 73 | 45 Ų | 45 | 39% | 0.39 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -84.3 | -12.4 | 175.8 | -75.1 | -92.9 | 0 | 0 | 0 | 113.1 | I377 H419 H420 L421 | I377-N423 HydrophobicContact CD1-CB 3.81Å; H419-N423 PolarHBondContact CD2-ND2 3Å; H419-N423 PolarHBondContact O-ND2 3.2Å; H420-N423 WeakPolarHBondContact O-CB 3.49Å; H420-N423 PolarHBondContact O-N 3.38Å; L421-N423 PolarHBondContact O-N 3.43Å; L421-N423 VanDerWaalsContact O-N 3.15Å |
| 424 | F | 97.9 | Very high | 98.3 | Very high | 72 Ų | 72 | 48 Ų | 48 | 32% | 0.316 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 39.1 | -179.7 | -62.2 | -78.8 | 0 | 0 | 0 | 112.4 | I377 H420 L421 F426 R427 | I377-F424 HydrophobicContact CG1-CE2 4.03Å; I377-F424 HydrophobicContact CG1-CZ 4.33Å; H420-F424 AromaticContact CD2-CD2 3.99Å; H420-F424 AromaticContact CE1-CD2 3.74Å; H420-F424 AromaticContact CE1-CE2 3.3Å; H420-F424 WeakPolarHBondContact CE1-CE2 3.3Å; H420-F424 AromaticContact ND1-CE2 3.77Å; H420-F424 AromaticContact NE2-CD2 3.59Å; H420-F424 AromaticContact NE2-CE2 3.64Å; H420-F424 VanDerWaalsContact O-CD2 3.3Å; H420-F424 WeakPolarHBondContact O-CD2 3.49Å; L421-F424 CarbonylContact O-C 3.5Å; L421-F424 PolarHBondContact O-N 3.11Å; F424-F426 PolarHBondContact O-N 3.45Å; F424-F426 VanDerWaalsContact O-N 3.1Å; F424-R427 PolarHBondContact O-N 2.86Å; F424-R427 VanDerWaalsContact O-N 3.14Å |
| 425 | Q | 97.9 | Very high | 98.2 | Very high | 104 Ų | 104 | 50.5 Ų | 50.5 | 49% | 0.486 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 21.9 | 175.6 | -60.2 | 77.1 | 44.8 | 0 | 0 | 114.7 | L421 R427 R464 | L421-Q425 PolarHBondContact O-N 2.97Å; Q425-R427 VanDerWaalsContact C-N 3.27Å; Q425-R427 HydrophobicContact CB-CG 4.49Å; Q425-R427 PolarHBondContact O-N 3.25Å; Q425-R464 PolarHBondContact O-NH2 2.92Å |
| 426 | F | 98.2 | Very high | 98.2 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 31.7 | -174.9 | -52 | -83.8 | 0 | 0 | 0 | 114.3 | L421 S422 F424 C456 L459 I468 | L421-F426 HydrophobicContact CB-CD1 4.02Å; L421-F426 WeakPolarHBondContact O-CA 3.11Å; L421-F426 PolarHBondContact O-N 2.99Å; S422-F426 VanDerWaalsContact CA-CE1 3.45Å; S422-F426 VanDerWaalsContact CB-CE1 3.48Å; F424-F426 PolarHBondContact O-N 3.45Å; F424-F426 VanDerWaalsContact O-N 3.1Å; F426-C456 HydrophobicContact CD1-CB 3.95Å; F426-C456 HydrophobicContact CE1-CB 3.77Å; F426-L459 HydrophobicContact CZ-CB 4.4Å; F426-I468 HydrophobicContact CB-CD1 3.5Å; F426-I468 VanDerWaalsContact CB-CD1 3.5Å; F426-I468 HydrophobicContact CB-CG2 4.24Å; F426-I468 HydrophobicContact CG-CD1 4.12Å |
| 427 | R | 97.9 | Very high | 98.1 | Very high | 191 Ų | 191 | 51.2 Ų | 51.2 | 72% | 0.721 | 26% | 0.255 | S | S | * | . | trans | -80.1 | 121.7 | 176.3 | -69.6 | 179.2 | 176 | 155.1 | -2 | 110.7 | L421 F424 Q425 | L421-R427 WeakPolarHBondContact CD2-O 3.42Å; F424-R427 PolarHBondContact O-N 2.86Å; F424-R427 VanDerWaalsContact O-N 3.14Å; Q425-R427 VanDerWaalsContact C-N 3.27Å; Q425-R427 HydrophobicContact CB-CG 4.49Å; Q425-R427 PolarHBondContact O-N 3.25Å | ||
| 428 | W | 98.4 | Very high | 97.9 | Very high | 53 Ų | 53 | 55.7 Ų | 55.7 | 20% | 0.201 | 29% | 0.292 | C | S | . | . | trans | -150.4 | 150.4 | 171.3 | -173.6 | -110.7 | 0 | 0 | 0 | 109.4 | T395 F417 L421 W430 W433 | T395-W428 HydrophobicContact CG2-CH2 3.66Å; T395-W428 HydrophobicContact CG2-CZ2 4.03Å; T395-W428 HydrophobicContact CG2-CZ3 4.24Å; F417-W428 HydrophobicContact CE2-CD2 4.12Å; F417-W428 AromaticContact CE2-CE3 3.93Å; F417-W428 HydrophobicContact CE2-CE3 3.93Å; F417-W428 HydrophobicContact CE2-CZ3 4.14Å; F417-W428 AromaticContact CZ-CD2 3.63Å; F417-W428 HydrophobicContact CZ-CD2 3.63Å; F417-W428 AromaticContact CZ-CE2 3.87Å; F417-W428 AromaticContact CZ-CE3 3.93Å; F417-W428 HydrophobicContact CZ-CE3 3.93Å; F417-W428 AromaticContact CZ-CG 3.9Å; F417-W428 HydrophobicContact CZ-CG 3.9Å; F417-W428 HydrophobicContact CZ-CZ2 4.4Å; F417-W428 HydrophobicContact CZ-CZ3 4.44Å; L421-W428 HydrophobicContact CD2-CB 3.94Å; W428-W430 VanDerWaalsContact C-N 3.27Å; W428-W430 HydrophobicContact CB-CD2 4.26Å; W428-W430 HydrophobicContact CB-CZ2 4.13Å; W428-W430 AromaticContact CD1-CD2 3.75Å; W428-W430 AromaticContact CD1-CE3 3.75Å; W428-W430 HydrophobicContact CG-CD2 4.42Å; W428-W430 PolarHBondContact O-N 2.93Å; W428-W430 VanDerWaalsContact O-N 3.09Å; W428-W433 AromaticContact CE2-CE2 3.92Å; W428-W433 AromaticContact CE2-CH2 3.82Å; W428-W433 AromaticContact CE2-CZ2 3.56Å; W428-W433 HydrophobicContact CH2-CZ2 4.44Å; W428-W433 AromaticContact CZ2-CE2 3.82Å; W428-W433 AromaticContact CZ2-CH2 3.98Å; W428-W433 HydrophobicContact CZ2-CH2 3.98Å; W428-W433 AromaticContact CZ2-CZ2 3.34Å; W428-W433 HydrophobicContact CZ2-CZ2 3.34Å; W428-W433 AromaticContact NE1-CD2 3.62Å; W428-W433 AromaticContact NE1-CE2 3.45Å; W428-W433 AromaticContact NE1-CE3 3.7Å; W428-W433 AromaticContact NE1-CH2 3.52Å; W428-W433 AromaticContact NE1-CZ2 3.42Å; W428-W433 AromaticContact NE1-CZ3 3.66Å | ||
| 429 | S | 97.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 59.2 Ų | 59.2 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | trans | -82.3 | 70.1 | 173.7 | 45.5 | 0 | 0 | 0 | 0 | 110.6 | D431 D432 | S429-D431 PolarHBondContact O-N 3Å; S429-D431 VanDerWaalsContact O-N 3.07Å; S429-D432 WeakPolarHBondContact CB-OD2 3.46Å; S429-D432 WeakPolarHBondContact O-CB 3.39Å; S429-D432 PolarHBondContact O-N 2.75Å; S429-D432 PolarHBondContact OG-OD2 3.11Å | ||
| 430 | W | 97.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 61.3 Ų | 61.3 | 2% | 0.019 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -55.9 | -27.7 | -177.7 | -60 | 104.1 | 0 | 0 | 0 | 114.2 | F417 L421 W428 D432 W433 V449 V452 L453 I468 V469 P470 F473 | F417-W430 HydrophobicContact CE1-CH2 4.39Å; L421-W430 HydrophobicContact CD1-CH2 3.96Å; L421-W430 HydrophobicContact CD1-CZ2 3.97Å; W428-W430 VanDerWaalsContact C-N 3.27Å; W428-W430 HydrophobicContact CB-CD2 4.26Å; W428-W430 HydrophobicContact CB-CZ2 4.13Å; W428-W430 AromaticContact CD1-CD2 3.75Å; W428-W430 AromaticContact CD1-CE3 3.75Å; W428-W430 HydrophobicContact CG-CD2 4.42Å; W428-W430 PolarHBondContact O-N 2.93Å; W428-W430 VanDerWaalsContact O-N 3.09Å; W430-D432 PolarHBondContact O-N 3.21Å; W430-W433 HydrophobicContact CE3-CE3 4.18Å; W430-W433 HydrophobicContact CE3-CZ3 4.42Å; W430-W433 HydrophobicContact CZ3-CE3 4.19Å; W430-W433 HydrophobicContact CZ3-CZ3 4.03Å; W430-W433 PolarHBondContact O-N 3.01Å; W430-V449 HydrophobicContact CZ3-CG1 4.3Å; W430-V452 HydrophobicContact CH2-CG1 4.03Å; W430-L453 HydrophobicContact CH2-CD2 3.73Å; W430-L453 HydrophobicContact CZ2-CD2 3.91Å; W430-L453 HydrophobicContact CZ3-CD2 4.25Å; W430-I468 VanDerWaalsContact CD1-O 3.23Å; W430-I468 PolarHBondContact NE1-O 3.09Å; W430-V469 HydrophobicContact CD2-CG1 4.18Å; W430-V469 HydrophobicContact CG-CG1 4.32Å; W430-V469 HydrophobicContact CZ2-CG1 4.47Å; W430-P470 HydrophobicContact CB-CG 4.01Å; W430-F473 HydrophobicContact CB-CE2 4.39Å; W430-F473 HydrophobicContact CB-CZ 4.43Å; W430-F473 WeakPolarHBondContact O-CE2 3.25Å; W430-F473 WeakPolarHBondContact O-CZ 3.4Å |
| 431 | D | 96.8 | Very high | 97.3 | Very high | 96 Ų | 96 | 63.2 Ų | 63.2 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -60.7 | -25.1 | 176.9 | -70 | -48.5 | 0 | 0 | 0 | 113.2 | S429 W433 T434 P470 | S429-D431 PolarHBondContact O-N 3Å; S429-D431 VanDerWaalsContact O-N 3.07Å; D431-W433 PolarHBondContact O-N 2.59Å; D431-T434 WeakPolarHBondContact O-CG2 3.24Å; D431-T434 PolarHBondContact O-N 3.02Å; D431-T434 PolarHBondContact O-OG1 2.91Å; D431-P470 VanDerWaalsContact OD1-CG 3.29Å; D431-P470 WeakPolarHBondContact OD1-CG 3.31Å |
| 432 | D | 97.6 | Very high | 97 | Very high | 93 Ų | 93 | 67.5 Ų | 67.5 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -66.4 | -20.3 | 176.2 | -61.5 | -22 | 0 | 0 | 0 | 111.9 | S429 W430 | S429-D432 WeakPolarHBondContact CB-OD2 3.46Å; S429-D432 WeakPolarHBondContact O-CB 3.39Å; S429-D432 PolarHBondContact O-N 2.75Å; S429-D432 PolarHBondContact OG-OD2 3.11Å; W430-D432 PolarHBondContact O-N 3.21Å |
| 433 | W | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -106.9 | 24.2 | -176.9 | -66.2 | -4.8 | 0 | 0 | 0 | 112.9 | T395 E396 Y399 F417 W428 W430 D431 D435 C436 F448 V449 F473 | T395-W433 HydrophobicContact CG2-CH2 4.41Å; T395-W433 HydrophobicContact CG2-CZ2 4.25Å; E396-W433 PolarHBondContact OE2-NE1 3.44Å; Y399-W433 AromaticContact CD1-CD1 3.47Å; Y399-W433 VanDerWaalsContact CD1-CD1 3.47Å; Y399-W433 HydrophobicContact CD1-CD2 4.14Å; Y399-W433 AromaticContact CD1-CE2 3.83Å; Y399-W433 AromaticContact CD1-CG 3.93Å; Y399-W433 HydrophobicContact CD1-CG 3.93Å; Y399-W433 AromaticContact CD1-NE1 3.43Å; Y399-W433 AromaticContact CD2-CD2 3.65Å; Y399-W433 HydrophobicContact CD2-CD2 3.65Å; Y399-W433 AromaticContact CD2-CE2 3.66Å; Y399-W433 AromaticContact CD2-CE3 3.91Å; Y399-W433 HydrophobicContact CD2-CE3 3.91Å; Y399-W433 HydrophobicContact CD2-CG 4.14Å; Y399-W433 HydrophobicContact CD2-CH2 4.15Å; Y399-W433 AromaticContact CD2-CZ2 3.92Å; Y399-W433 HydrophobicContact CD2-CZ2 3.92Å; Y399-W433 HydrophobicContact CD2-CZ3 4.14Å; Y399-W433 HydrophobicContact CE1-CB 4.01Å; Y399-W433 AromaticContact CE1-CD1 3.43Å; Y399-W433 VanDerWaalsContact CE1-CD1 3.43Å; Y399-W433 HydrophobicContact CE1-CD2 4.16Å; Y399-W433 AromaticContact CE1-CG 3.61Å; Y399-W433 HydrophobicContact CE1-CG 3.61Å; Y399-W433 AromaticContact CE1-NE1 3.9Å; Y399-W433 HydrophobicContact CE2-CB 4.15Å; Y399-W433 AromaticContact CE2-CD2 3.65Å; Y399-W433 HydrophobicContact CE2-CD2 3.65Å; Y399-W433 AromaticContact CE2-CE3 3.85Å; Y399-W433 HydrophobicContact CE2-CE3 3.85Å; Y399-W433 AromaticContact CE2-CG 3.81Å; Y399-W433 HydrophobicContact CE2-CG 3.81Å; Y399-W433 HydrophobicContact CE2-CZ3 4.46Å; Y399-W433 AromaticContact CG-CD1 3.96Å; Y399-W433 AromaticContact CG-CD2 3.89Å; Y399-W433 HydrophobicContact CG-CD2 3.89Å; Y399-W433 AromaticContact CG-CE2 3.47Å; Y399-W433 VanDerWaalsContact CG-CE2 3.47Å; Y399-W433 HydrophobicContact CG-CG 4.18Å; Y399-W433 HydrophobicContact CG-CH2 4.47Å; Y399-W433 AromaticContact CG-CZ2 3.8Å; Y399-W433 HydrophobicContact CG-CZ2 3.8Å; Y399-W433 AromaticContact CG-NE1 3.57Å; Y399-W433 AromaticContact CZ-CD1 3.85Å; Y399-W433 AromaticContact CZ-CD2 3.91Å; Y399-W433 AromaticContact CZ-CG 3.52Å; Y399-W433 WeakPolarHBondContact OH-CB 3.38Å; Y399-W433 PolarHBondContact OH-O 2.84Å; F417-W433 HydrophobicContact CD1-CH2 4.27Å; F417-W433 AromaticContact CE1-CH2 3.45Å; F417-W433 HydrophobicContact CE1-CH2 3.45Å; F417-W433 VanDerWaalsContact CE1-CH2 3.45Å; F417-W433 AromaticContact CE1-CZ3 3.66Å; F417-W433 HydrophobicContact CE1-CZ3 3.66Å; F417-W433 HydrophobicContact CE2-CH2 4.48Å; F417-W433 AromaticContact CZ-CH2 3.58Å; F417-W433 HydrophobicContact CZ-CH2 3.58Å; F417-W433 HydrophobicContact CZ-CZ2 4.49Å; F417-W433 HydrophobicContact CZ-CZ3 4.1Å; W428-W433 AromaticContact CE2-CE2 3.92Å; W428-W433 AromaticContact CE2-CH2 3.82Å; W428-W433 AromaticContact CE2-CZ2 3.56Å; W428-W433 HydrophobicContact CH2-CZ2 4.44Å; W428-W433 AromaticContact CZ2-CE2 3.82Å; W428-W433 AromaticContact CZ2-CH2 3.98Å; W428-W433 HydrophobicContact CZ2-CH2 3.98Å; W428-W433 AromaticContact CZ2-CZ2 3.34Å; W428-W433 HydrophobicContact CZ2-CZ2 3.34Å; W428-W433 AromaticContact NE1-CD2 3.62Å; W428-W433 AromaticContact NE1-CE2 3.45Å; W428-W433 AromaticContact NE1-CE3 3.7Å; W428-W433 AromaticContact NE1-CH2 3.52Å; W428-W433 AromaticContact NE1-CZ2 3.42Å; W428-W433 AromaticContact NE1-CZ3 3.66Å; W430-W433 HydrophobicContact CE3-CE3 4.18Å; W430-W433 HydrophobicContact CE3-CZ3 4.42Å; W430-W433 HydrophobicContact CZ3-CE3 4.19Å; W430-W433 HydrophobicContact CZ3-CZ3 4.03Å; W430-W433 PolarHBondContact O-N 3.01Å; D431-W433 PolarHBondContact O-N 2.59Å; W433-D435 WeakPolarHBondContact CA-OD1 3.34Å; W433-D435 PolarHBondContact O-N 3Å; W433-C436 PolarHBondContact O-N 3.45Å; W433-C436 PolarHBondContact O-SG 2.98Å; W433-F448 HydrophobicContact CH2-CE1 4.06Å; W433-F448 HydrophobicContact CZ3-CE1 4.07Å; W433-V449 HydrophobicContact CE3-CG2 3.92Å; W433-V449 HydrophobicContact CZ3-CG2 4.41Å; W433-F473 HydrophobicContact CB-CZ 4.48Å |
| 434 | T | 97.7 | Very high | 96.8 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 41% | 0.411 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -67.1 | -16.6 | 179.6 | 43.4 | 0 | 0 | 0 | 0 | 113.4 | D431 C436 L437 F473 | D431-T434 WeakPolarHBondContact O-CG2 3.24Å; D431-T434 PolarHBondContact O-N 3.02Å; D431-T434 PolarHBondContact O-OG1 2.91Å; T434-C436 PolarHBondContact O-N 3.38Å; T434-L437 HydrophobicContact CG2-CD1 4.28Å; T434-L437 WeakPolarHBondContact O-CB 3.48Å; T434-L437 PolarHBondContact O-N 3.28Å; T434-L437 VanDerWaalsContact O-N 3.16Å; T434-F473 HydrophobicContact CG2-CE2 3.88Å; T434-F473 HydrophobicContact CG2-CZ 4.26Å |
| 435 | D | 97.4 | Very high | 96.8 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -59.8 | -31 | 174.4 | 66.9 | -50.6 | 0 | 0 | 0 | 112.3 | Y399 W433 L437 A438 K445 | Y399-D435 PolarHBondContact OH-OD1 3.49Å; Y399-D435 VanDerWaalsContact OH-OD1 3.12Å; W433-D435 WeakPolarHBondContact CA-OD1 3.34Å; W433-D435 PolarHBondContact O-N 3Å; D435-L437 PolarHBondContact O-N 2.98Å; D435-A438 PolarHBondContact O-N 2.95Å; D435-K445 WeakPolarHBondContact OD2-CD 3.15Å; D435-K445 IonicContact OD2-NZ 2.76Å; D435-K445 PolarHBondContact OD2-NZ 3.14Å |
| 436 | C | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -66.8 | -23.8 | 177.6 | 72.3 | 0 | 0 | 0 | 0 | 114.5 | Y399 W433 T434 A438 L439 K445 P446 | Y399-C436 VanDerWaalsContact OH-CB 3.32Å; Y399-C436 WeakPolarHBondContact OH-CB 3.3Å; W433-C436 PolarHBondContact O-N 3.45Å; W433-C436 PolarHBondContact O-SG 2.98Å; T434-C436 PolarHBondContact O-N 3.38Å; C436-A438 PolarHBondContact O-N 3.34Å; C436-L439 PolarHBondContact O-N 3.36Å; C436-K445 HydrophobicContact CB-CB 3.84Å; C436-P446 HydrophobicContact CB-CB 4.12Å |
| 437 | L | 96.9 | Very high | 96.8 | Very high | 69 Ų | 69 | 61.5 Ų | 61.5 | 36% | 0.361 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -71 | -20.3 | -177.9 | -56.2 | 177.2 | 0 | 0 | 0 | 112.5 | T434 D435 F473 L476 | T434-L437 HydrophobicContact CG2-CD1 4.28Å; T434-L437 WeakPolarHBondContact O-CB 3.48Å; T434-L437 PolarHBondContact O-N 3.28Å; T434-L437 VanDerWaalsContact O-N 3.16Å; D435-L437 PolarHBondContact O-N 2.98Å; L437-F473 HydrophobicContact CD1-CD2 4.17Å; L437-F473 HydrophobicContact CD1-CE2 3.96Å; L437-F473 HydrophobicContact CD1-CZ 4.27Å; L437-F473 HydrophobicContact CD2-CD1 4.15Å; L437-F473 HydrophobicContact CD2-CE1 4.23Å; L437-F473 HydrophobicContact CD2-CG 4.33Å; L437-F473 HydrophobicContact CG-CZ 4.41Å; L437-L476 HydrophobicContact CD2-CD1 3.7Å; L437-L476 HydrophobicContact CD2-CG 4.31Å |
| 438 | A | 95.9 | Very high | 96.8 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 78% | 0.777 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -90.8 | -4.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D435 C436 | D435-A438 PolarHBondContact O-N 2.95Å; C436-A438 PolarHBondContact O-N 3.34Å |
| 439 | L | 96.2 | Very high | 96.9 | Very high | 77 Ų | 77 | 50.2 Ų | 50.2 | 40% | 0.403 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -95.5 | 160.7 | -178.7 | -58.5 | 179.1 | 0 | 0 | 0 | 111.3 | C436 K443 K445 P446 | C436-L439 PolarHBondContact O-N 3.36Å; L439-K443 HydrophobicContact CB-CB 4.36Å; L439-K445 HydrophobicContact CD1-CB 4.27Å; L439-K445 HydrophobicContact CD1-CD 4.2Å; L439-P446 HydrophobicContact CB-CG 4.21Å |
| 440 | D | 94.7 | Very high | 96.9 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | trans | -60.3 | 138.3 | 168.1 | -175.4 | -63.5 | 0 | 0 | 0 | 110.5 | D442 K443 P446 | D440-D442 PolarHBondContact O-N 3.16Å; D440-D442 VanDerWaalsContact O-N 3.12Å; D440-D442 PolarHBondContact OD1-N 2.79Å; D440-K443 HydrophobicContact CB-CG 4.04Å; D440-K443 VanDerWaalsContact O-CB 3.28Å; D440-K443 WeakPolarHBondContact O-CB 3.34Å; D440-K443 PolarHBondContact O-N 2.92Å; D440-P446 WeakPolarHBondContact O-CG 3.44Å | ||
| 441 | A | 93.4 | Very high | 96.9 | Very high | 67 Ų | 67 | 52.1 Ų | 52.1 | 55% | 0.554 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K443 | A441-K443 VanDerWaalsContact C-N 3.34Š|
| 442 | D | 92.4 | Very high | 97 | Very high | 91 Ų | 91 | 47.5 Ų | 47.5 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -5.3 | 177.7 | -73.4 | -34.5 | 0 | 0 | 0 | 113.2 | D440 P744 | D440-D442 PolarHBondContact O-N 3.16Å; D440-D442 VanDerWaalsContact O-N 3.12Å; D440-D442 PolarHBondContact OD1-N 2.79Å; D442-P744 HydrophobicContact CB-CB 4.22Å; D442-P744 WeakPolarHBondContact O-CB 3.32Å |
| 443 | K | 95.4 | Very high | 97.1 | Very high | 92 Ų | 92 | 43.1 Ų | 43.1 | 40% | 0.4 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -69.9 | 154.2 | 173.7 | -68.1 | -73.2 | -176.9 | 178.1 | 0 | 111.4 | L439 D440 A441 K445 P446 K447 P744 | L439-K443 HydrophobicContact CB-CB 4.36Å; D440-K443 HydrophobicContact CB-CG 4.04Å; D440-K443 VanDerWaalsContact O-CB 3.28Å; D440-K443 WeakPolarHBondContact O-CB 3.34Å; D440-K443 PolarHBondContact O-N 2.92Å; A441-K443 VanDerWaalsContact C-N 3.34Å; K443-K445 PolarHBondContact O-N 3.48Å; K443-P446 HydrophobicContact CB-CG 4.15Å; K443-P446 VanDerWaalsContact O-CD 3.25Å; K443-P446 WeakPolarHBondContact O-CD 3.45Å; K443-P446 WeakPolarHBondContact O-CG 3.49Å; K443-K447 WeakPolarHBondContact O-CB 3.48Å; K443-K447 PolarHBondContact O-N 3.22Å; K443-P744 HydrophobicContact CD-CG 4.23Å |
| 444 | P | 96.8 | Very high | 97.1 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.3 | -42.2 | -172 | -32.3 | 41.3 | 0 | 0 | 0 | 115.1 | L402 F448 | L402-P444 HydrophobicContact CB-CB 4.01Å; P444-F448 WeakPolarHBondContact O-CB 3.36Å; P444-F448 PolarHBondContact O-N 3.41Å |
| 445 | K | 98.3 | Very high | 97.1 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 8% | 0.078 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.2 | -58.6 | -178.8 | -69.3 | -179.2 | 170.8 | -174.6 | 0 | 114.4 | Y399 M400 L402 D435 C436 L439 K443 K447 F448 V449 | Y399-K445 HydrophobicContact CE1-CD 4.01Å; Y399-K445 HydrophobicContact CE1-CG 4.42Å; Y399-K445 HydrophobicContact CE2-CB 4.1Å; Y399-K445 HydrophobicContact CE2-CG 4.14Å; M400-K445 PolarHBondContact SD-NZ 2.72Å; M400-K445 VanDerWaalsContact SD-NZ 3.38Å; L402-K445 HydrophobicContact CB-CG 4.36Å; L402-K445 HydrophobicContact CD1-CG 4.23Å; D435-K445 WeakPolarHBondContact OD2-CD 3.15Å; D435-K445 IonicContact OD2-NZ 2.76Å; D435-K445 PolarHBondContact OD2-NZ 3.14Å; C436-K445 HydrophobicContact CB-CB 3.84Å; L439-K445 HydrophobicContact CD1-CB 4.27Å; L439-K445 HydrophobicContact CD1-CD 4.2Å; K443-K445 PolarHBondContact O-N 3.48Å; K445-K447 VanDerWaalsContact C-N 3.29Å; K445-K447 PolarHBondContact O-N 3.34Å; K445-F448 PolarHBondContact O-N 3.11Å; K445-V449 PolarHBondContact O-N 2.99Å; K445-V449 VanDerWaalsContact O-N 3.09Å |
| 446 | P | 97.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -37.1 | 179.1 | 22.6 | -32 | 0 | 0 | 0 | 112 | C436 L439 D440 K443 V449 K450 L476 | C436-P446 HydrophobicContact CB-CB 4.12Å; L439-P446 HydrophobicContact CB-CG 4.21Å; D440-P446 WeakPolarHBondContact O-CG 3.44Å; K443-P446 HydrophobicContact CB-CG 4.15Å; K443-P446 VanDerWaalsContact O-CD 3.25Å; K443-P446 WeakPolarHBondContact O-CD 3.45Å; K443-P446 WeakPolarHBondContact O-CG 3.49Å; P446-V449 PolarHBondContact O-N 3.01Å; P446-K450 WeakPolarHBondContact O-CB 3.49Å; P446-K450 PolarHBondContact O-N 3.39Å; P446-L476 HydrophobicContact CB-CD2 4.32Å |
| 447 | K | 97.9 | Very high | 97.2 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 174.3 | -173.5 | 177.2 | -179.9 | 66.9 | 0 | 111.9 | K443 K445 V449 K450 E451 T633 | K443-K447 WeakPolarHBondContact O-CB 3.48Å; K443-K447 PolarHBondContact O-N 3.22Å; K445-K447 VanDerWaalsContact C-N 3.29Å; K445-K447 PolarHBondContact O-N 3.34Å; K447-V449 PolarHBondContact O-N 2.96Å; K447-K450 PolarHBondContact O-N 2.94Å; K447-E451 HydrophobicContact CG-CG 4.45Å; K447-E451 WeakPolarHBondContact O-CB 3.43Å; K447-E451 VanDerWaalsContact O-CG 3.24Å; K447-E451 WeakPolarHBondContact O-CG 3.4Å; K447-E451 PolarHBondContact O-N 2.96Å; K447-T633 WeakPolarHBondContact CE-O 3.46Å; K447-T633 PolarHBondContact NZ-O 2.97Å; K447-T633 PolarHBondContact NZ-OG1 2.99Å |
| 448 | F | 98.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.8 | -48.8 | 176.4 | 174.9 | -100.6 | 0 | 0 | 0 | 111.6 | Y399 L402 I410 L413 L414 F417 W433 P444 K445 K450 E451 V452 | Y399-F448 HydrophobicContact CD2-CD1 4.13Å; Y399-F448 HydrophobicContact CD2-CE1 4.4Å; L402-F448 HydrophobicContact CD1-CB 3.66Å; L402-F448 HydrophobicContact CD1-CD1 3.79Å; L402-F448 HydrophobicContact CD1-CD2 4.32Å; L402-F448 HydrophobicContact CD1-CG 3.66Å; L402-F448 HydrophobicContact CD2-CD2 4.28Å; L402-F448 HydrophobicContact CD2-CG 4.42Å; I410-F448 HydrophobicContact CG2-CD2 4.15Å; L413-F448 HydrophobicContact CB-CE2 4.24Å; L413-F448 HydrophobicContact CD2-CE2 3.74Å; L413-F448 HydrophobicContact CD2-CZ 3.88Å; L413-F448 HydrophobicContact CG-CE2 3.71Å; L413-F448 HydrophobicContact CG-CZ 3.84Å; L414-F448 HydrophobicContact CB-CD2 4.49Å; L414-F448 HydrophobicContact CB-CE2 4.18Å; F417-F448 HydrophobicContact CD1-CE1 4.3Å; F417-F448 HydrophobicContact CD1-CZ 4.15Å; W433-F448 HydrophobicContact CH2-CE1 4.06Å; W433-F448 HydrophobicContact CZ3-CE1 4.07Å; P444-F448 WeakPolarHBondContact O-CB 3.36Å; P444-F448 PolarHBondContact O-N 3.41Å; K445-F448 PolarHBondContact O-N 3.11Å; F448-K450 PolarHBondContact O-N 3.23Å; F448-E451 PolarHBondContact O-N 3.34Å; F448-V452 HydrophobicContact CD1-CG2 4.12Å; F448-V452 HydrophobicContact CD2-CG2 4.23Å; F448-V452 HydrophobicContact CE1-CG2 3.76Å; F448-V452 HydrophobicContact CE2-CG2 3.88Å; F448-V452 HydrophobicContact CG-CG2 4.34Å; F448-V452 HydrophobicContact CZ-CG2 3.63Å; F448-V452 WeakPolarHBondContact O-CB 3.44Å; F448-V452 VanDerWaalsContact O-CG2 3.24Å; F448-V452 WeakPolarHBondContact O-CG2 3.07Å; F448-V452 PolarHBondContact O-N 3.02Å |
| 449 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 178.7 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | Y399 W430 W433 K445 P446 K447 E451 V452 L453 F473 L476 | Y399-V449 HydrophobicContact CE2-CG2 4.08Å; W430-V449 HydrophobicContact CZ3-CG1 4.3Å; W433-V449 HydrophobicContact CE3-CG2 3.92Å; W433-V449 HydrophobicContact CZ3-CG2 4.41Å; K445-V449 PolarHBondContact O-N 2.99Å; K445-V449 VanDerWaalsContact O-N 3.09Å; P446-V449 PolarHBondContact O-N 3.01Å; K447-V449 PolarHBondContact O-N 2.96Å; V449-E451 PolarHBondContact O-N 2.93Å; V449-V452 PolarHBondContact O-N 3.24Å; V449-L453 HydrophobicContact CG1-CD1 4.02Å; V449-L453 HydrophobicContact CG1-CG 4.35Å; V449-L453 WeakPolarHBondContact O-CG 3.35Å; V449-L453 PolarHBondContact O-N 2.64Å; V449-F473 HydrophobicContact CG1-CD1 4.1Å; V449-F473 HydrophobicContact CG1-CE1 4.22Å; V449-L476 HydrophobicContact CB-CD1 4.18Å; V449-L476 HydrophobicContact CG1-CB 4.49Å; V449-L476 HydrophobicContact CG1-CD1 3.85Å |
| 450 | K | 98.2 | Very high | 97.5 | Very high | 91 Ų | 91 | 36.4 Ų | 36.4 | 40% | 0.396 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.4 | -47 | 178.1 | -176.1 | 176.7 | -179.2 | 178.6 | 0 | 112.1 | P446 K447 F448 L453 E454 | P446-K450 WeakPolarHBondContact O-CB 3.49Å; P446-K450 PolarHBondContact O-N 3.39Å; K447-K450 PolarHBondContact O-N 2.94Å; F448-K450 PolarHBondContact O-N 3.23Å; K450-L453 PolarHBondContact O-N 3.01Å; K450-E454 PolarHBondContact O-N 3.04Å |
| 451 | E | 98.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.5 | -37.7 | 178.7 | -64.7 | -74.5 | -179.2 | 0 | 0 | 111.6 | L414 K447 F448 V449 E454 K455 R634 F635 | L414-E451 HydrophobicContact CD1-CB 3.73Å; L414-E451 WeakPolarHBondContact CD1-O 3.48Å; L414-E451 HydrophobicContact CD2-CB 3.73Å; L414-E451 HydrophobicContact CG-CB 4.39Å; K447-E451 HydrophobicContact CG-CG 4.45Å; K447-E451 WeakPolarHBondContact O-CB 3.43Å; K447-E451 VanDerWaalsContact O-CG 3.24Å; K447-E451 WeakPolarHBondContact O-CG 3.4Å; K447-E451 PolarHBondContact O-N 2.96Å; F448-E451 PolarHBondContact O-N 3.34Å; V449-E451 PolarHBondContact O-N 2.93Å; E451-E454 PolarHBondContact O-N 3.45Å; E451-K455 PolarHBondContact O-N 3.2Å; E451-R634 VanDerWaalsContact OE1-CA 3.25Å; E451-R634 WeakPolarHBondContact OE1-CA 3.43Å; E451-R634 WeakPolarHBondContact OE1-CB 3.39Å; E451-F635 HydrophobicContact CG-CB 4.47Å; E451-F635 PolarHBondContact OE1-N 2.91Å; E451-F635 WeakPolarHBondContact OE2-CB 3.42Å |
| 452 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 175.5 | 166.3 | 0 | 0 | 0 | 0 | 110.4 | L414 F417 L421 W430 F448 V449 E454 K455 C456 | L414-V452 HydrophobicContact CD1-CB 4.03Å; L414-V452 HydrophobicContact CD1-CG2 3.48Å; L414-V452 VanDerWaalsContact CD1-CG2 3.48Å; F417-V452 HydrophobicContact CD1-CB 4.5Å; F417-V452 HydrophobicContact CD1-CG1 3.71Å; F417-V452 HydrophobicContact CD1-CG2 3.92Å; F417-V452 HydrophobicContact CE1-CG1 3.98Å; L421-V452 HydrophobicContact CD1-CG1 4.32Å; W430-V452 HydrophobicContact CH2-CG1 4.03Å; F448-V452 HydrophobicContact CD1-CG2 4.12Å; F448-V452 HydrophobicContact CD2-CG2 4.23Å; F448-V452 HydrophobicContact CE1-CG2 3.76Å; F448-V452 HydrophobicContact CE2-CG2 3.88Å; F448-V452 HydrophobicContact CG-CG2 4.34Å; F448-V452 HydrophobicContact CZ-CG2 3.63Å; F448-V452 WeakPolarHBondContact O-CB 3.44Å; F448-V452 VanDerWaalsContact O-CG2 3.24Å; F448-V452 WeakPolarHBondContact O-CG2 3.07Å; F448-V452 PolarHBondContact O-N 3.02Å; V449-V452 PolarHBondContact O-N 3.24Å; V452-E454 VanDerWaalsContact C-N 3.33Å; V452-E454 PolarHBondContact O-N 3.16Å; V452-K455 PolarHBondContact O-N 2.83Å; V452-C456 WeakPolarHBondContact O-CB 3.38Å; V452-C456 PolarHBondContact O-N 3.36Å; V452-C456 PolarHBondContact O-SG 3.33Å |
| 453 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.7 | -38.3 | 178.6 | -66.6 | 176.4 | 0 | 0 | 0 | 111.4 | W430 V449 K450 C456 M457 I465 V469 L476 | W430-L453 HydrophobicContact CH2-CD2 3.73Å; W430-L453 HydrophobicContact CZ2-CD2 3.91Å; W430-L453 HydrophobicContact CZ3-CD2 4.25Å; V449-L453 HydrophobicContact CG1-CD1 4.02Å; V449-L453 HydrophobicContact CG1-CG 4.35Å; V449-L453 WeakPolarHBondContact O-CG 3.35Å; V449-L453 PolarHBondContact O-N 2.64Å; K450-L453 PolarHBondContact O-N 3.01Å; L453-C456 PolarHBondContact O-N 3.32Å; L453-M457 PolarHBondContact O-N 3.47Å; L453-I465 HydrophobicContact CB-CG2 4.06Å; L453-I465 HydrophobicContact CD2-CG2 3.95Å; L453-V469 HydrophobicContact CD1-CG1 4.21Å; L453-V469 HydrophobicContact CD2-CG1 3.58Å; L453-L476 HydrophobicContact CD1-CB 4.32Å |
| 454 | E | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 172 | -172.6 | -177.9 | 140.4 | 0 | 0 | 112.2 | K450 E451 V452 C456 M457 R458 P478 P598 R634 | K450-E454 PolarHBondContact O-N 3.04Å; E451-E454 PolarHBondContact O-N 3.45Å; V452-E454 VanDerWaalsContact C-N 3.33Å; V452-E454 PolarHBondContact O-N 3.16Å; E454-C456 VanDerWaalsContact C-N 3.35Å; E454-C456 PolarHBondContact O-N 3Å; E454-M457 WeakPolarHBondContact O-CB 3.47Å; E454-M457 PolarHBondContact O-N 3.31Å; E454-R458 WeakPolarHBondContact O-CG 3.4Å; E454-R458 PolarHBondContact O-N 2.95Å; E454-R458 VanDerWaalsContact O-N 3.08Å; E454-R458 IonicContact OE1-CZ 2.64Å; E454-R458 IonicContact OE1-NE 3.98Å; E454-R458 IonicContact OE1-NH2 3.83Å; E454-R458 PolarHBondContact OE1-NH2 3.49Å; E454-P478 HydrophobicContact CB-CB 4.12Å; E454-P478 HydrophobicContact CG-CB 4.31Å; E454-P598 WeakPolarHBondContact OE1-CG 3.34Å; E454-R634 IonicContact OE1-NH2 3.46Å; E454-R634 IonicContact OE2-CZ 2.64Å; E454-R634 IonicContact OE2-NE 2.6Å; E454-R634 IonicContact OE2-NH2 3.66Å; E454-R634 PolarHBondContact OE2-NH2 3.36Å |
| 455 | K | 98.5 | Very high | 98.3 | Very high | 21 Ų | 21 | 36.5 Ų | 36.5 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 175.8 | -75.9 | -67.1 | -170.9 | 175.3 | 0 | 112.5 | L414 N415 S418 E451 V452 M457 R458 L459 F635 E639 | L414-K455 HydrophobicContact CD1-CB 4.49Å; L414-K455 HydrophobicContact CD1-CG 3.99Å; L414-K455 HydrophobicContact CG-CG 4.21Å; N415-K455 VanDerWaalsContact OD1-CE 3.27Å; N415-K455 WeakPolarHBondContact OD1-CE 3.31Å; N415-K455 PolarHBondContact OD1-NZ 3.17Å; S418-K455 VanDerWaalsContact CB-CB 3.48Å; S418-K455 WeakPolarHBondContact OG-CB 3.36Å; E451-K455 PolarHBondContact O-N 3.2Å; V452-K455 PolarHBondContact O-N 2.83Å; K455-M457 VanDerWaalsContact C-N 3.29Å; K455-M457 PolarHBondContact O-N 2.88Å; K455-R458 PolarHBondContact O-N 3.47Å; K455-L459 PolarHBondContact O-N 2.89Å; K455-F635 VanDerWaalsContact CE-CD1 3.42Å; K455-E639 VanDerWaalsContact NZ-CD 3.26Å; K455-E639 IonicContact NZ-OE1 3.56Å; K455-E639 PolarHBondContact NZ-OE1 3.27Å; K455-E639 IonicContact NZ-OE2 2.7Å; K455-E639 PolarHBondContact NZ-OE2 3.34Å |
| 456 | C | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.8 | -40.8 | 173.6 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | F426 V452 L453 E454 R458 L459 S460 I465 | F426-C456 HydrophobicContact CD1-CB 3.95Å; F426-C456 HydrophobicContact CE1-CB 3.77Å; V452-C456 WeakPolarHBondContact O-CB 3.38Å; V452-C456 PolarHBondContact O-N 3.36Å; V452-C456 PolarHBondContact O-SG 3.33Å; L453-C456 PolarHBondContact O-N 3.32Å; E454-C456 VanDerWaalsContact C-N 3.35Å; E454-C456 PolarHBondContact O-N 3Å; C456-R458 VanDerWaalsContact C-N 3.34Å; C456-R458 PolarHBondContact O-N 2.91Å; C456-L459 CarbonylContact O-C 3.56Å; C456-L459 PolarHBondContact O-N 3.03Å; C456-L459 VanDerWaalsContact O-N 3.1Å; C456-S460 VanDerWaalsContact O-CB 3.3Å; C456-S460 WeakPolarHBondContact O-CB 3.35Å; C456-S460 PolarHBondContact O-N 2.94Å; C456-S460 VanDerWaalsContact O-N 3.07Å; C456-I465 HydrophobicContact CB-CD1 3.57Å; C456-I465 HydrophobicContact CB-CG1 4.49Å |
| 457 | M | 98.6 | Very high | 98.3 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 176 | -170.5 | 178.3 | 68.6 | 0 | 0 | 111.8 | L453 E454 K455 L459 S460 H462 I465 P478 P481 | L453-M457 PolarHBondContact O-N 3.47Å; E454-M457 WeakPolarHBondContact O-CB 3.47Å; E454-M457 PolarHBondContact O-N 3.31Å; K455-M457 VanDerWaalsContact C-N 3.29Å; K455-M457 PolarHBondContact O-N 2.88Å; M457-L459 PolarHBondContact O-N 3.44Å; M457-S460 CarbonylContact O-C 3.56Å; M457-S460 WeakPolarHBondContact O-CA 3.48Å; M457-S460 PolarHBondContact O-N 3.39Å; M457-H462 HydrophobicContact SD-CB 3.92Å; M457-I465 HydrophobicContact CB-CG1 3.79Å; M457-I465 HydrophobicContact CG-CG1 4.29Å; M457-P478 HydrophobicContact CB-CG 4Å; M457-P478 HydrophobicContact CE-CB 3.87Å; M457-P478 HydrophobicContact CE-CG 4.06Å; M457-P478 HydrophobicContact CG-CG 4.43Å; M457-P478 HydrophobicContact SD-CB 4.1Å; M457-P478 HydrophobicContact SD-CG 3.69Å; M457-P481 HydrophobicContact CE-CB 4.48Å; M457-P481 HydrophobicContact CE-CG 4.18Å; M457-P481 HydrophobicContact SD-CG 4.47Å |
| 458 | R | 98.3 | Very high | 98.3 | Very high | 48 Ų | 48 | 42.1 Ų | 42.1 | 18% | 0.181 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.3 | -23.7 | 176.4 | -63.8 | -177.9 | -167.8 | -178.1 | 9.1 | 113.3 | E454 K455 C456 Q599 E639 | E454-R458 WeakPolarHBondContact O-CG 3.4Å; E454-R458 PolarHBondContact O-N 2.95Å; E454-R458 VanDerWaalsContact O-N 3.08Å; E454-R458 IonicContact OE1-CZ 2.64Å; E454-R458 IonicContact OE1-NE 3.98Å; E454-R458 IonicContact OE1-NH2 3.83Å; E454-R458 PolarHBondContact OE1-NH2 3.49Å; K455-R458 PolarHBondContact O-N 3.47Å; C456-R458 VanDerWaalsContact C-N 3.34Å; C456-R458 PolarHBondContact O-N 2.91Å; R458-Q599 HydrophobicContact CG-CB 4.28Å; R458-E639 IonicContact CZ-OE2 3.74Å; R458-E639 IonicContact NH1-OE2 3.73Å; R458-E639 PolarHBondContact NH1-OE2 3.28Å; R458-E639 IonicContact NH2-OE2 2.78Å |
| 459 | L | 98.5 | Very high | 98.2 | Very high | 95 Ų | 95 | 42.6 Ų | 42.6 | 50% | 0.497 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 4.4 | 173.7 | -64.2 | 173.1 | 0 | 0 | 0 | 112.6 | F426 K455 C456 M457 | F426-L459 HydrophobicContact CZ-CB 4.4Å; K455-L459 PolarHBondContact O-N 2.89Å; C456-L459 CarbonylContact O-C 3.56Å; C456-L459 PolarHBondContact O-N 3.03Å; C456-L459 VanDerWaalsContact O-N 3.1Å; M457-L459 PolarHBondContact O-N 3.44Å |
| 460 | S | 98.3 | Very high | 98.1 | Very high | 39 Ų | 39 | 43.6 Ų | 43.6 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -149.8 | -135.9 | -175.9 | -160.5 | 0 | 0 | 0 | 0 | 110.3 | C456 M457 R464 | C456-S460 VanDerWaalsContact O-CB 3.3Å; C456-S460 WeakPolarHBondContact O-CB 3.35Å; C456-S460 PolarHBondContact O-N 2.94Å; C456-S460 VanDerWaalsContact O-N 3.07Å; M457-S460 CarbonylContact O-C 3.56Å; M457-S460 WeakPolarHBondContact O-CA 3.48Å; M457-S460 PolarHBondContact O-N 3.39Å; S460-R464 WeakPolarHBondContact OG-CB 3.38Å; S460-R464 VanDerWaalsContact OG-CG 3.26Å; S460-R464 WeakPolarHBondContact OG-CG 3.42Å |
| 461 | Y | 97.9 | Very high | 98.1 | Very high | 141 Ų | 141 | 44.9 Ų | 44.9 | 55% | 0.553 | 23% | 0.226 | S | C | * | . | trans | -147.1 | 157.8 | 174.1 | 53.2 | -88.6 | 0 | 0 | 0 | 110.1 | Q463 R464 I465 | Y461-Q463 HydrophobicContact CD2-CB 4.01Å; Y461-Q463 HydrophobicContact CE2-CB 4.04Å; Y461-Q463 PolarHBondContact O-N 2.74Å; Y461-R464 HydrophobicContact CD1-CB 4.18Å; Y461-R464 HydrophobicContact CD2-CB 3.85Å; Y461-R464 HydrophobicContact CE1-CB 3.93Å; Y461-R464 HydrophobicContact CE2-CB 3.59Å; Y461-R464 HydrophobicContact CG-CB 4.14Å; Y461-R464 WeakPolarHBondContact O-CB 3.36Å; Y461-R464 PolarHBondContact O-N 3.49Å; Y461-I465 PolarHBondContact O-N 3.46Å | ||
| 462 | H | 98.3 | Very high | 98 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 22% | 0.218 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -49.8 | -53.9 | -171.9 | 177.1 | -94.7 | 0 | 0 | 0 | 113.3 | M457 R464 I465 V466 P478 D480 | M457-H462 HydrophobicContact SD-CB 3.92Å; H462-R464 VanDerWaalsContact C-N 3.26Å; H462-R464 PolarHBondContact O-N 2.89Å; H462-I465 PolarHBondContact O-N 3.14Å; H462-V466 PolarHBondContact O-N 3.1Å; H462-V466 VanDerWaalsContact O-N 3.09Å; H462-P478 PolarHBondContact CD2-O 2.99Å; H462-P478 PolarHBondContact NE2-O 3Å; H462-D480 IonicContact CG-OD1 2.72Å |
| 463 | Q | 98.2 | Very high | 98 | Very high | 101 Ų | 101 | 48.5 Ų | 48.5 | 47% | 0.472 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58 | -37 | -179.1 | -172.1 | 61.5 | 50.3 | 0 | 0 | 112.9 | Y461 I465 V466 D467 | Y461-Q463 HydrophobicContact CD2-CB 4.01Å; Y461-Q463 HydrophobicContact CE2-CB 4.04Å; Y461-Q463 PolarHBondContact O-N 2.74Å; Q463-I465 VanDerWaalsContact C-N 3.27Å; Q463-I465 PolarHBondContact O-N 3.36Å; Q463-V466 WeakPolarHBondContact O-CB 3.39Å; Q463-V466 PolarHBondContact O-N 2.9Å; Q463-D467 PolarHBondContact NE2-OD1 3.08Å; Q463-D467 PolarHBondContact O-N 3.33Å |
| 464 | R | 98 | Very high | 97.8 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 32% | 0.321 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 177.2 | -178.2 | 58.1 | 178.5 | 177.5 | 6.4 | 111.8 | Q425 S460 Y461 H462 D467 I468 | Q425-R464 PolarHBondContact O-NH2 2.92Å; S460-R464 WeakPolarHBondContact OG-CB 3.38Å; S460-R464 VanDerWaalsContact OG-CG 3.26Å; S460-R464 WeakPolarHBondContact OG-CG 3.42Å; Y461-R464 HydrophobicContact CD1-CB 4.18Å; Y461-R464 HydrophobicContact CD2-CB 3.85Å; Y461-R464 HydrophobicContact CE1-CB 3.93Å; Y461-R464 HydrophobicContact CE2-CB 3.59Å; Y461-R464 HydrophobicContact CG-CB 4.14Å; Y461-R464 WeakPolarHBondContact O-CB 3.36Å; Y461-R464 PolarHBondContact O-N 3.49Å; H462-R464 VanDerWaalsContact C-N 3.26Å; H462-R464 PolarHBondContact O-N 2.89Å; R464-D467 PolarHBondContact O-N 3.19Å; R464-I468 WeakPolarHBondContact O-CG2 3.25Å; R464-I468 PolarHBondContact O-N 3.34Å |
| 465 | I | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.7 | -36.7 | 179.2 | -56.2 | -48.8 | 0 | 0 | 0 | 111 | L453 C456 M457 Y461 H462 Q463 D467 I468 | L453-I465 HydrophobicContact CB-CG2 4.06Å; L453-I465 HydrophobicContact CD2-CG2 3.95Å; C456-I465 HydrophobicContact CB-CD1 3.57Å; C456-I465 HydrophobicContact CB-CG1 4.49Å; M457-I465 HydrophobicContact CB-CG1 3.79Å; M457-I465 HydrophobicContact CG-CG1 4.29Å; Y461-I465 PolarHBondContact O-N 3.46Å; H462-I465 PolarHBondContact O-N 3.14Å; Q463-I465 VanDerWaalsContact C-N 3.27Å; Q463-I465 PolarHBondContact O-N 3.36Å; I465-D467 VanDerWaalsContact C-N 3.28Å; I465-D467 PolarHBondContact O-N 2.9Å; I465-I468 HydrophobicContact CD1-CD1 3.84Å; I465-I468 VanDerWaalsContact O-CG1 3.24Å; I465-I468 WeakPolarHBondContact O-CG1 3.22Å; I465-I468 PolarHBondContact O-N 2.78Å |
| 466 | V | 97.9 | Very high | 97.6 | Very high | 48 Ų | 48 | 56.1 Ų | 56.1 | 29% | 0.291 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.1 | -42.1 | 171.1 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | H462 Q463 I468 I477 | H462-V466 PolarHBondContact O-N 3.1Å; H462-V466 VanDerWaalsContact O-N 3.09Å; Q463-V466 WeakPolarHBondContact O-CB 3.39Å; Q463-V466 PolarHBondContact O-N 2.9Å; V466-I468 PolarHBondContact O-N 2.77Å; V466-I477 HydrophobicContact CB-CD1 4.37Å; V466-I477 HydrophobicContact CG1-CD1 4.41Å; V466-I477 HydrophobicContact CG2-CD1 4.15Å; V466-I477 HydrophobicContact CG2-CG2 4.01Å |
| 467 | D | 97.7 | Very high | 97.5 | Very high | 101 Ų | 101 | 57.5 Ų | 57.5 | 54% | 0.54 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -76.9 | -20.3 | -173.6 | -60.6 | -20.6 | 0 | 0 | 0 | 114.7 | Q463 R464 I465 | Q463-D467 PolarHBondContact NE2-OD1 3.08Å; Q463-D467 PolarHBondContact O-N 3.33Å; R464-D467 PolarHBondContact O-N 3.19Å; I465-D467 VanDerWaalsContact C-N 3.28Å; I465-D467 PolarHBondContact O-N 2.9Å |
| 468 | I | 97.1 | Very high | 97.3 | Very high | 30 Ų | 30 | 57.1 Ų | 57.1 | 15% | 0.154 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -93.1 | -10.5 | -174.8 | 60.2 | 167.5 | 0 | 0 | 0 | 113.8 | F426 W430 R464 I465 V466 | F426-I468 HydrophobicContact CB-CD1 3.5Å; F426-I468 VanDerWaalsContact CB-CD1 3.5Å; F426-I468 HydrophobicContact CB-CG2 4.24Å; F426-I468 HydrophobicContact CG-CD1 4.12Å; W430-I468 VanDerWaalsContact CD1-O 3.23Å; W430-I468 PolarHBondContact NE1-O 3.09Å; R464-I468 WeakPolarHBondContact O-CG2 3.25Å; R464-I468 PolarHBondContact O-N 3.34Å; I465-I468 HydrophobicContact CD1-CD1 3.84Å; I465-I468 VanDerWaalsContact O-CG1 3.24Å; I465-I468 WeakPolarHBondContact O-CG1 3.22Å; I465-I468 PolarHBondContact O-N 2.78Å; V466-I468 PolarHBondContact O-N 2.77Å |
| 469 | V | 97.3 | Very high | 97.2 | Very high | 16 Ų | 16 | 57.3 Ų | 57.3 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -108.4 | 151.3 | -179.9 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | W430 L453 F473 I477 | W430-V469 HydrophobicContact CD2-CG1 4.18Å; W430-V469 HydrophobicContact CG-CG1 4.32Å; W430-V469 HydrophobicContact CZ2-CG1 4.47Å; L453-V469 HydrophobicContact CD1-CG1 4.21Å; L453-V469 HydrophobicContact CD2-CG1 3.58Å; V469-F473 HydrophobicContact CB-CB 4.11Å; V469-F473 HydrophobicContact CG2-CB 4.25Å; V469-I477 HydrophobicContact CG2-CD1 3.78Å; V469-I477 HydrophobicContact CG2-CG1 3.97Å |
| 470 | P | 97.3 | Very high | 97.1 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 14% | 0.143 | 32% | 0.324 | C | S | . | . | trans | -61.6 | 152.2 | 171.9 | -21.2 | 31.8 | 0 | 0 | 0 | 112 | W430 D431 T472 F473 | W430-P470 HydrophobicContact CB-CG 4.01Å; D431-P470 VanDerWaalsContact OD1-CG 3.29Å; D431-P470 WeakPolarHBondContact OD1-CG 3.31Å; P470-T472 PolarHBondContact O-N 3.09Å; P470-F473 HydrophobicContact CB-CD2 4.14Å; P470-F473 HydrophobicContact CG-CD2 4.09Å; P470-F473 HydrophobicContact CG-CE2 4.38Å; P470-F473 WeakPolarHBondContact O-CB 3.27Å; P470-F473 PolarHBondContact O-N 3.38Å | ||
| 471 | P | 96.7 | Very high | 97 | Very high | 118 Ų | 118 | 56.7 Ų | 56.7 | 77% | 0.766 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -56.3 | -28.4 | 179.5 | -27.3 | 35.4 | 0 | 0 | 0 | 114.8 | F473 S474 | P471-F473 PolarHBondContact O-N 2.82Å; P471-S474 VanDerWaalsContact O-CB 3.3Å; P471-S474 WeakPolarHBondContact O-CB 3.33Å; P471-S474 PolarHBondContact O-N 3.29Å; P471-S474 PolarHBondContact O-OG 2.94Å |
| 472 | T | 97.3 | Very high | 96.8 | Very high | 85 Ų | 85 | 53.7 Ų | 53.7 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -62.9 | -24.1 | 176.6 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | P470 S474 | P470-T472 PolarHBondContact O-N 3.09Å; T472-S474 VanDerWaalsContact C-N 3.33Å |
| 473 | F | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -87.8 | 3 | 179 | -77.5 | -104.3 | 0 | 0 | 0 | 113.6 | W430 W433 T434 L437 V449 V469 P470 P471 A475 L476 | W430-F473 HydrophobicContact CB-CE2 4.39Å; W430-F473 HydrophobicContact CB-CZ 4.43Å; W430-F473 WeakPolarHBondContact O-CE2 3.25Å; W430-F473 WeakPolarHBondContact O-CZ 3.4Å; W433-F473 HydrophobicContact CB-CZ 4.48Å; T434-F473 HydrophobicContact CG2-CE2 3.88Å; T434-F473 HydrophobicContact CG2-CZ 4.26Å; L437-F473 HydrophobicContact CD1-CD2 4.17Å; L437-F473 HydrophobicContact CD1-CE2 3.96Å; L437-F473 HydrophobicContact CD1-CZ 4.27Å; L437-F473 HydrophobicContact CD2-CD1 4.15Å; L437-F473 HydrophobicContact CD2-CE1 4.23Å; L437-F473 HydrophobicContact CD2-CG 4.33Å; L437-F473 HydrophobicContact CG-CZ 4.41Å; V449-F473 HydrophobicContact CG1-CD1 4.1Å; V449-F473 HydrophobicContact CG1-CE1 4.22Å; V469-F473 HydrophobicContact CB-CB 4.11Å; V469-F473 HydrophobicContact CG2-CB 4.25Å; P470-F473 HydrophobicContact CB-CD2 4.14Å; P470-F473 HydrophobicContact CG-CD2 4.09Å; P470-F473 HydrophobicContact CG-CE2 4.38Å; P470-F473 WeakPolarHBondContact O-CB 3.27Å; P470-F473 PolarHBondContact O-N 3.38Å; P471-F473 PolarHBondContact O-N 2.82Å; F473-A475 PolarHBondContact O-N 3.45Å; F473-A475 VanDerWaalsContact O-N 3.09Å; F473-L476 HydrophobicContact CD1-CD1 3.96Å; F473-L476 HydrophobicContact CE1-CD1 4.39Å; F473-L476 PolarHBondContact O-N 3.41Å |
| 474 | S | 94.8 | Very high | 96.6 | Very high | 78 Ų | 78 | 51 Ų | 51 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -53.4 | -34.7 | -174.5 | 51.3 | 0 | 0 | 0 | 0 | 114.6 | P471 T472 L476 I477 | P471-S474 VanDerWaalsContact O-CB 3.3Å; P471-S474 WeakPolarHBondContact O-CB 3.33Å; P471-S474 PolarHBondContact O-N 3.29Å; P471-S474 PolarHBondContact O-OG 2.94Å; T472-S474 VanDerWaalsContact C-N 3.33Å; S474-L476 PolarHBondContact O-N 3.05Å; S474-I477 PolarHBondContact O-N 2.76Å |
| 475 | A | 95.4 | Very high | 96.5 | Very high | 90 Ų | 90 | 48.4 Ų | 48.4 | 74% | 0.744 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -69.4 | -17.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F473 | F473-A475 PolarHBondContact O-N 3.45Å; F473-A475 VanDerWaalsContact O-N 3.09Å |
| 476 | L | 97.1 | Very high | 96.3 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -96.9 | -6.8 | 179.2 | -59.5 | -179.1 | 0 | 0 | 0 | 112.8 | L437 P446 V449 L453 F473 S474 | L437-L476 HydrophobicContact CD2-CD1 3.7Å; L437-L476 HydrophobicContact CD2-CG 4.31Å; P446-L476 HydrophobicContact CB-CD2 4.32Å; V449-L476 HydrophobicContact CB-CD1 4.18Å; V449-L476 HydrophobicContact CG1-CB 4.49Å; V449-L476 HydrophobicContact CG1-CD1 3.85Å; L453-L476 HydrophobicContact CD1-CB 4.32Å; F473-L476 HydrophobicContact CD1-CD1 3.96Å; F473-L476 HydrophobicContact CE1-CD1 4.39Å; F473-L476 PolarHBondContact O-N 3.41Å; S474-L476 PolarHBondContact O-N 3.05Å |
| 477 | I | 96.8 | Very high | 96 | Very high | 30 Ų | 30 | 49.3 Ų | 49.3 | 15% | 0.154 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -67.6 | 134.5 | 178.1 | -60.2 | 174.2 | 0 | 0 | 0 | 109.1 | V466 V469 S474 | V466-I477 HydrophobicContact CB-CD1 4.37Å; V466-I477 HydrophobicContact CG1-CD1 4.41Å; V466-I477 HydrophobicContact CG2-CD1 4.15Å; V466-I477 HydrophobicContact CG2-CG2 4.01Å; V469-I477 HydrophobicContact CG2-CD1 3.78Å; V469-I477 HydrophobicContact CG2-CG1 3.97Å; S474-I477 PolarHBondContact O-N 2.76Å |
| 478 | P | 95.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 143 | 173.9 | 28 | -38.1 | 0 | 0 | 0 | 110.9 | E454 M457 H462 | E454-P478 HydrophobicContact CB-CB 4.12Å; E454-P478 HydrophobicContact CG-CB 4.31Å; M457-P478 HydrophobicContact CB-CG 4Å; M457-P478 HydrophobicContact CE-CB 3.87Å; M457-P478 HydrophobicContact CE-CG 4.06Å; M457-P478 HydrophobicContact CG-CG 4.43Å; M457-P478 HydrophobicContact SD-CB 4.1Å; M457-P478 HydrophobicContact SD-CG 3.69Å; H462-P478 PolarHBondContact CD2-O 2.99Å; H462-P478 PolarHBondContact NE2-O 3Å |
| 479 | A | 95.9 | Very high | 94.8 | Very high | 52 Ų | 52 | 53.7 Ų | 53.7 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 153.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | P481 N596 | A479-P481 WeakPolarHBondContact O-CD 3.41Å; A479-N596 HydrophobicContact CB-CB 4.46Å |
| 480 | D | 96.4 | Very high | 93.8 | Very high | 82 Ų | 82 | 60.5 Ų | 60.5 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 125.9 | 174.5 | -166 | 12.5 | 0 | 0 | 0 | 110.2 | H462 I482 N596 | H462-D480 IonicContact CG-OD1 2.72Å; D480-I482 HydrophobicContact CB-CG2 4.24Å; D480-I482 PolarHBondContact O-N 2.89Å; D480-N596 WeakPolarHBondContact O-CB 3.2Å |
| 481 | P | 96.3 | Very high | 92.8 | Very high | 39 Ų | 39 | 63.1 Ų | 63.1 | 25% | 0.253 | 37% | 0.366 | S | S | . | . | trans | -74.3 | 67.8 | -175.4 | 29.7 | -38.5 | 0 | 0 | 0 | 113.1 | M457 A479 N596 H597 | M457-P481 HydrophobicContact CE-CB 4.48Å; M457-P481 HydrophobicContact CE-CG 4.18Å; M457-P481 HydrophobicContact SD-CG 4.47Å; A479-P481 WeakPolarHBondContact O-CD 3.41Å; P481-N596 WeakPolarHBondContact CA-O 3.42Å; P481-H597 HydrophobicContact CB-CB 3.78Å | ||
| 482 | I | 94.3 | Very high | 92.3 | Very high | 78 Ų | 78 | 60.2 Ų | 60.2 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | trans | -93 | 153.7 | 179.9 | 63.5 | 173.6 | 0 | 0 | 0 | 112.7 | D480 F484 | D480-I482 HydrophobicContact CB-CG2 4.24Å; D480-I482 PolarHBondContact O-N 2.89Å; I482-F484 HydrophobicContact CD1-CE1 4.13Å; I482-F484 HydrophobicContact CD1-CZ 4.05Å; I482-F484 HydrophobicContact CG1-CE1 4.41Å; I482-F484 HydrophobicContact CG1-CE2 4.24Å; I482-F484 HydrophobicContact CG1-CZ 3.96Å | ||
| 483 | F | 96 | Very high | 91.8 | Very high | 34 Ų | 34 | 60 Ų | 60 | 15% | 0.149 | 35% | 0.347 | C | S | . | . | trans | -82.7 | 138.1 | 172.7 | -174.5 | -95 | 0 | 0 | 0 | 111.2 | Y485 L552 H553 A556 V593 W594 | F483-Y485 HydrophobicContact CE1-CD2 4.21Å; F483-Y485 HydrophobicContact CE1-CG 4.23Å; F483-L552 HydrophobicContact CE2-CB 3.73Å; F483-L552 HydrophobicContact CZ-CB 3.94Å; F483-H553 HydrophobicContact CD1-CB 4.25Å; F483-H553 AromaticContact CD1-ND1 3.81Å; F483-H553 VanDerWaalsContact CE1-CA 3.45Å; F483-H553 HydrophobicContact CE1-CB 3.47Å; F483-H553 VanDerWaalsContact CE1-CB 3.47Å; F483-H553 AromaticContact CE1-ND1 3.84Å; F483-H553 VanDerWaalsContact CZ-CA 3.5Å; F483-H553 HydrophobicContact CZ-CB 3.86Å; F483-H553 VanDerWaalsContact CZ-N 3.27Å; F483-A556 HydrophobicContact CB-CB 4.14Å; F483-A556 HydrophobicContact CD2-CB 4.09Å; F483-A556 HydrophobicContact CG-CB 4.05Å; F483-V593 HydrophobicContact CD2-CB 4.26Å; F483-V593 HydrophobicContact CD2-CG2 4.43Å; F483-V593 HydrophobicContact CE1-CB 4.45Å; F483-V593 HydrophobicContact CE2-CB 3.56Å; F483-V593 HydrophobicContact CE2-CG1 4.4Å; F483-V593 HydrophobicContact CE2-CG2 3.6Å; F483-V593 HydrophobicContact CZ-CB 3.68Å; F483-V593 HydrophobicContact CZ-CG1 4.05Å; F483-V593 HydrophobicContact CZ-CG2 4.06Å; F483-W594 HydrophobicContact CB-CE3 4.36Å; F483-W594 HydrophobicContact CB-CH2 3.93Å; F483-W594 HydrophobicContact CB-CZ2 4.49Å; F483-W594 HydrophobicContact CB-CZ3 3.85Å; F483-W594 AromaticContact CD2-CD2 3.74Å; F483-W594 HydrophobicContact CD2-CD2 3.74Å; F483-W594 AromaticContact CD2-CE2 3.37Å; F483-W594 AromaticContact CD2-CE3 3.98Å; F483-W594 HydrophobicContact CD2-CE3 3.98Å; F483-W594 HydrophobicContact CD2-CG 4.49Å; F483-W594 AromaticContact CD2-CH2 3.66Å; F483-W594 HydrophobicContact CD2-CH2 3.66Å; F483-W594 AromaticContact CD2-CZ2 3.35Å; F483-W594 HydrophobicContact CD2-CZ2 3.35Å; F483-W594 AromaticContact CD2-CZ3 3.95Å; F483-W594 HydrophobicContact CD2-CZ3 3.95Å; F483-W594 AromaticContact CD2-NE1 3.9Å; F483-W594 HydrophobicContact CE2-CD2 4.3Å; F483-W594 AromaticContact CE2-CE2 3.73Å; F483-W594 AromaticContact CE2-CZ2 3.93Å; F483-W594 HydrophobicContact CE2-CZ2 3.93Å; F483-W594 AromaticContact CE2-NE1 3.76Å; F483-W594 HydrophobicContact CG-CH2 4.25Å; F483-W594 HydrophobicContact CG-CZ2 4.33Å; F483-W594 HydrophobicContact CG-CZ3 4.43Å | ||
| 484 | F | 95.6 | Very high | 91.3 | Very high | 57 Ų | 57 | 64.7 Ų | 64.7 | 25% | 0.25 | 39% | 0.385 | C | S | . | . | trans | -105.6 | 109.5 | 172.6 | -64 | -81.3 | 0 | 0 | 0 | 110.7 | I482 V593 R595 N596 | I482-F484 HydrophobicContact CD1-CE1 4.13Å; I482-F484 HydrophobicContact CD1-CZ 4.05Å; I482-F484 HydrophobicContact CG1-CE1 4.41Å; I482-F484 HydrophobicContact CG1-CE2 4.24Å; I482-F484 HydrophobicContact CG1-CZ 3.96Å; F484-V593 PolarHBondContact N-O 3.17Å; F484-V593 WeakPolarHBondContact O-CB 3.35Å; F484-V593 WeakPolarHBondContact O-CG1 3.48Å; F484-R595 HydrophobicContact CD2-CG 3.81Å; F484-R595 HydrophobicContact CE2-CG 3.65Å; F484-N596 HydrophobicContact CE2-CB 3.91Å; F484-N596 HydrophobicContact CZ-CB 4.48Å; F484-N596 WeakPolarHBondContact CZ-ND2 3.44Å | ||
| 485 | Y | 95.2 | Very high | 91.1 | Very high | 31 Ų | 31 | 63.6 Ų | 63.6 | 12% | 0.122 | 37% | 0.373 | C | S | . | . | trans | -101.3 | 114.5 | 174.1 | -172.2 | -140.2 | 0 | 0 | 0 | 110.9 | F483 Y487 Q488 Q549 T550 H553 | F483-Y485 HydrophobicContact CE1-CD2 4.21Å; F483-Y485 HydrophobicContact CE1-CG 4.23Å; Y485-Y487 VanDerWaalsContact C-N 3.27Å; Y485-Y487 WeakPolarHBondContact CE1-O 3.38Å; Y485-Y487 AromaticContact CE2-CD2 3.87Å; Y485-Y487 HydrophobicContact CE2-CD2 3.87Å; Y485-Y487 PolarHBondContact O-N 3.22Å; Y485-Q488 HydrophobicContact CD1-CB 3.65Å; Y485-Q488 HydrophobicContact CD1-CG 4.24Å; Y485-Q488 HydrophobicContact CE1-CB 4.49Å; Y485-Q488 HydrophobicContact CG-CB 4.3Å; Y485-Q488 PolarHBondContact O-N 3.41Å; Y485-Q549 HydrophobicContact CD2-CB 4.23Å; Y485-Q549 HydrophobicContact CE2-CB 4.17Å; Y485-T550 PolarHBondContact OH-OG1 3Å; Y485-H553 HydrophobicContact CD1-CB 4.4Å; Y485-H553 AromaticContact CD1-CD2 3.81Å; Y485-H553 AromaticContact CD1-CE1 3.93Å; Y485-H553 AromaticContact CD1-CG 3.76Å; Y485-H553 AromaticContact CD1-ND1 3.84Å; Y485-H553 AromaticContact CD1-NE2 3.95Å; Y485-H553 HydrophobicContact CD2-CB 3.79Å; Y485-H553 AromaticContact CE1-CD2 3.93Å; Y485-H553 HydrophobicContact CE2-CB 4.12Å; Y485-H553 HydrophobicContact CG-CB 3.96Å; Y485-H553 AromaticContact CG-CG 3.7Å; Y485-H553 AromaticContact CG-ND1 3.76Å | ||
| 486 | K | 93.5 | Very high | 90.9 | Very high | 66 Ų | 66 | 63.3 Ų | 63.3 | 29% | 0.287 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -33.6 | -178 | -176.7 | 178.3 | 179.3 | -173 | 0 | 113.1 | N492 L495 E545 | K486-N492 PolarHBondContact O-ND2 3.45Å; K486-L495 HydrophobicContact CD-CD1 4.48Å; K486-L495 HydrophobicContact CG-CD1 3.76Å; K486-E545 WeakPolarHBondContact CD-OE1 3.26Å; K486-E545 WeakPolarHBondContact CE-OE1 3.48Å; K486-E545 IonicContact NZ-OE1 2.62Å; K486-E545 PolarHBondContact NZ-OE1 2.9Å; K486-E545 IonicContact NZ-OE2 2.93Å; K486-E545 PolarHBondContact NZ-OE2 3.27Å |
| 487 | Y | 93.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 0% | 0.004 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 28.7 | -173.4 | -46.9 | -74.7 | 0 | 0 | 0 | 113.4 | Y485 L495 P496 Y498 A501 V546 Q549 | Y485-Y487 VanDerWaalsContact C-N 3.27Å; Y485-Y487 WeakPolarHBondContact CE1-O 3.38Å; Y485-Y487 AromaticContact CE2-CD2 3.87Å; Y485-Y487 HydrophobicContact CE2-CD2 3.87Å; Y485-Y487 PolarHBondContact O-N 3.22Å; Y487-L495 HydrophobicContact CD1-CB 4.47Å; Y487-L495 HydrophobicContact CD1-CD1 4.43Å; Y487-L495 HydrophobicContact CE1-CB 4.29Å; Y487-P496 WeakPolarHBondContact CE1-O 3.12Å; Y487-Y498 HydrophobicContact CD1-CD2 4.1Å; Y487-A501 HydrophobicContact CD1-CB 4.22Å; Y487-A501 HydrophobicContact CD2-CB 3.6Å; Y487-A501 HydrophobicContact CE2-CB 4.21Å; Y487-A501 HydrophobicContact CG-CB 3.61Å; Y487-V546 HydrophobicContact CE2-CG2 4.47Å; Y487-Q549 HydrophobicContact CE2-CB 4.32Å |
| 488 | Q | 86.6 | Confident | 90.4 | Very high | 127 Ų | 127 | 63.2 Ų | 63.2 | 59% | 0.593 | 36% | 0.364 | S | S | * | . | trans | -77.9 | -38.6 | -174.6 | -168.3 | 143.2 | -15.5 | 0 | 0 | 114.7 | Y485 | Y485-Q488 HydrophobicContact CD1-CB 3.65Å; Y485-Q488 HydrophobicContact CD1-CG 4.24Å; Y485-Q488 HydrophobicContact CE1-CB 4.49Å; Y485-Q488 HydrophobicContact CG-CB 4.3Å; Y485-Q488 PolarHBondContact O-N 3.41Å | ||
| 489 | D | 82.1 | Confident | 90.2 | Very high | 96 Ų | 96 | 66.3 Ų | 66.3 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -98 | 140.6 | -172.9 | -162 | -27.1 | 0 | 0 | 0 | 111.1 | A491 N492 Y498 | D489-A491 HydrophobicContact CB-CB 4.42Å; D489-A491 PolarHBondContact O-N 3.46Å; D489-A491 PolarHBondContact OD1-N 3.03Å; D489-N492 VanDerWaalsContact O-CB 3.28Å; D489-N492 WeakPolarHBondContact O-CB 3.39Å; D489-N492 PolarHBondContact O-N 3.31Å; D489-Y498 WeakPolarHBondContact O-CE2 3.22Å |
| 490 | E | 75.7 | Confident | 90.1 | Very high | 160 Ų | 160 | 64.9 Ų | 64.9 | 75% | 0.748 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -63 | -24.5 | 172.7 | -72.6 | -173.1 | 171 | 0 | 0 | 112.2 | N492 S493 | E490-N492 PolarHBondContact O-N 3.43Å; E490-N492 VanDerWaalsContact O-N 3.14Å; E490-S493 VanDerWaalsContact O-CB 3.24Å; E490-S493 WeakPolarHBondContact O-CB 3.42Å; E490-S493 PolarHBondContact O-N 2.97Å; E490-S493 PolarHBondContact O-OG 2.98Å |
| 491 | A | 78.1 | Confident | 90 | Very high | 77 Ų | 77 | 61 Ų | 61 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -59.1 | -21.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D489 S493 | D489-A491 HydrophobicContact CB-CB 4.42Å; D489-A491 PolarHBondContact O-N 3.46Å; D489-A491 PolarHBondContact OD1-N 3.03Å; A491-S493 VanDerWaalsContact C-N 3.32Å |
| 492 | N | 85.1 | Confident | 89.9 | Confident | 57 Ų | 57 | 62.3 Ų | 62.3 | 31% | 0.305 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -90.5 | 12 | 176.8 | -65.3 | -14.7 | 0 | 0 | 0 | 113.2 | K486 D489 E490 A494 L495 Y498 | K486-N492 PolarHBondContact O-ND2 3.45Å; D489-N492 VanDerWaalsContact O-CB 3.28Å; D489-N492 WeakPolarHBondContact O-CB 3.39Å; D489-N492 PolarHBondContact O-N 3.31Å; E490-N492 PolarHBondContact O-N 3.43Å; E490-N492 VanDerWaalsContact O-N 3.14Å; N492-A494 PolarHBondContact O-N 3.14Å; N492-A494 VanDerWaalsContact O-N 3.08Å; N492-L495 HydrophobicContact CB-CD1 3.67Å; N492-L495 HydrophobicContact CB-CG 4Å; N492-L495 VanDerWaalsContact O-CB 3.31Å; N492-L495 WeakPolarHBondContact O-CB 3.34Å; N492-L495 WeakPolarHBondContact O-CG 3.28Å; N492-L495 PolarHBondContact O-N 3.25Å; N492-Y498 HydrophobicContact CB-CD2 4.29Å; N492-Y498 HydrophobicContact CB-CE2 4.37Å; N492-Y498 VanDerWaalsContact O-CD2 3.31Å; N492-Y498 WeakPolarHBondContact O-CD2 3.28Å |
| 493 | S | 86.1 | Confident | 89.9 | Confident | 81 Ų | 81 | 62 Ų | 62 | 57% | 0.566 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.7 | 179.4 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | E490 A491 L495 | E490-S493 VanDerWaalsContact O-CB 3.24Å; E490-S493 WeakPolarHBondContact O-CB 3.42Å; E490-S493 PolarHBondContact O-N 2.97Å; E490-S493 PolarHBondContact O-OG 2.98Å; A491-S493 VanDerWaalsContact C-N 3.32Å; S493-L495 VanDerWaalsContact C-N 3.33Å |
| 494 | A | 88.4 | Confident | 89.9 | Confident | 97 Ų | 97 | 60.4 Ų | 60.4 | 80% | 0.802 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -9.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N492 | N492-A494 PolarHBondContact O-N 3.14Å; N492-A494 VanDerWaalsContact O-N 3.08Å |
| 495 | L | 90.7 | Very high | 89.9 | Confident | 56 Ų | 56 | 58 Ų | 58 | 29% | 0.293 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -68.5 | 138.8 | 178.9 | -68.8 | -177.7 | 0 | 0 | 0 | 111.1 | K486 Y487 N492 S493 G497 Y498 | K486-L495 HydrophobicContact CD-CD1 4.48Å; K486-L495 HydrophobicContact CG-CD1 3.76Å; Y487-L495 HydrophobicContact CD1-CB 4.47Å; Y487-L495 HydrophobicContact CD1-CD1 4.43Å; Y487-L495 HydrophobicContact CE1-CB 4.29Å; N492-L495 HydrophobicContact CB-CD1 3.67Å; N492-L495 HydrophobicContact CB-CG 4Å; N492-L495 VanDerWaalsContact O-CB 3.31Å; N492-L495 WeakPolarHBondContact O-CB 3.34Å; N492-L495 WeakPolarHBondContact O-CG 3.28Å; N492-L495 PolarHBondContact O-N 3.25Å; S493-L495 VanDerWaalsContact C-N 3.33Å; L495-G497 PolarHBondContact O-N 3.16Å; L495-Y498 WeakPolarHBondContact O-CB 3.35Å; L495-Y498 PolarHBondContact O-N 3.27Å; L495-Y498 VanDerWaalsContact O-N 3.12Å |
| 496 | P | 90.4 | Very high | 90 | Very high | 84 Ų | 84 | 60.2 Ų | 60.2 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 130.6 | 171.3 | -26.3 | 34.7 | 0 | 0 | 0 | 111 | Y487 Y498 L542 | Y487-P496 WeakPolarHBondContact CE1-O 3.12Å; P496-Y498 VanDerWaalsContact C-N 3.32Å; P496-Y498 PolarHBondContact O-N 3.49Å; P496-L542 HydrophobicContact CB-CD1 4.18Å; P496-L542 HydrophobicContact CB-CD2 3.93Å |
| 497 | G | 89.9 | Confident | 90.1 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 13% | 0.134 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 0.6 | 178 | 0 | 0 | 0 | 0 | 0 | 116.2 | L495 A499 V500 A501 | L495-G497 PolarHBondContact O-N 3.16Å; G497-A499 PolarHBondContact O-N 3.12Å; G497-V500 PolarHBondContact O-N 3.35Å; G497-V500 VanDerWaalsContact O-N 3.12Å; G497-A501 PolarHBondContact O-N 3.28Å |
| 498 | Y | 93 | Very high | 90.2 | Very high | 31 Ų | 31 | 58.8 Ų | 58.8 | 12% | 0.122 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.8 | -50.3 | 179.4 | 179.5 | -87.9 | 0 | 0 | 0 | 112.7 | Y487 D489 N492 L495 P496 V500 A501 I502 | Y487-Y498 HydrophobicContact CD1-CD2 4.1Å; D489-Y498 WeakPolarHBondContact O-CE2 3.22Å; N492-Y498 HydrophobicContact CB-CD2 4.29Å; N492-Y498 HydrophobicContact CB-CE2 4.37Å; N492-Y498 VanDerWaalsContact O-CD2 3.31Å; N492-Y498 WeakPolarHBondContact O-CD2 3.28Å; L495-Y498 WeakPolarHBondContact O-CB 3.35Å; L495-Y498 PolarHBondContact O-N 3.27Å; L495-Y498 VanDerWaalsContact O-N 3.12Å; P496-Y498 VanDerWaalsContact C-N 3.32Å; P496-Y498 PolarHBondContact O-N 3.49Å; Y498-V500 VanDerWaalsContact C-N 3.25Å; Y498-V500 PolarHBondContact O-N 3.27Å; Y498-A501 WeakPolarHBondContact O-CB 3.3Å; Y498-A501 PolarHBondContact O-N 2.86Å; Y498-A501 VanDerWaalsContact O-N 3.1Å; Y498-I502 HydrophobicContact CD1-CG1 4.3Å; Y498-I502 HydrophobicContact CE1-CD1 4.41Å; Y498-I502 HydrophobicContact CE1-CG1 3.88Å; Y498-I502 PolarHBondContact O-N 3.01Å; Y498-I502 VanDerWaalsContact O-N 3.14Å |
| 499 | A | 91.9 | Very high | 90.6 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 60% | 0.603 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59 | -39 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G497 I502 T503 | G497-A499 PolarHBondContact O-N 3.12Å; A499-I502 PolarHBondContact O-N 2.65Å; A499-T503 PolarHBondContact O-N 2.77Å; A499-T503 VanDerWaalsContact O-N 3.14Å; A499-T503 PolarHBondContact O-OG1 3.25Å; A499-T503 VanDerWaalsContact O-OG1 3.04Å |
| 500 | V | 93.8 | Very high | 91.3 | Very high | 22 Ų | 22 | 61 Ų | 61 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.3 | -37.5 | 177.3 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | G497 Y498 I502 T503 V504 V520 V524 V546 | G497-V500 PolarHBondContact O-N 3.35Å; G497-V500 VanDerWaalsContact O-N 3.12Å; Y498-V500 VanDerWaalsContact C-N 3.25Å; Y498-V500 PolarHBondContact O-N 3.27Å; V500-I502 VanDerWaalsContact C-N 3.3Å; V500-I502 PolarHBondContact O-N 3.09Å; V500-T503 PolarHBondContact O-N 3.05Å; V500-T503 VanDerWaalsContact O-N 3.17Å; V500-V504 HydrophobicContact CG1-CG2 3.96Å; V500-V504 WeakPolarHBondContact O-CB 3.39Å; V500-V504 VanDerWaalsContact O-CG2 3.32Å; V500-V504 WeakPolarHBondContact O-CG2 3.49Å; V500-V504 PolarHBondContact O-N 3.14Å; V500-V520 HydrophobicContact CG1-CG1 4Å; V500-V524 HydrophobicContact CB-CG2 4.15Å; V500-V524 HydrophobicContact CG1-CG2 3.63Å; V500-V524 HydrophobicContact CG2-CG2 4.07Å; V500-V546 HydrophobicContact CB-CG1 4.16Å; V500-V546 HydrophobicContact CG1-CG1 4.13Å |
| 501 | A | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.2 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y487 G497 Y498 G505 V546 | Y487-A501 HydrophobicContact CD1-CB 4.22Å; Y487-A501 HydrophobicContact CD2-CB 3.6Å; Y487-A501 HydrophobicContact CE2-CB 4.21Å; Y487-A501 HydrophobicContact CG-CB 3.61Å; G497-A501 PolarHBondContact O-N 3.28Å; Y498-A501 WeakPolarHBondContact O-CB 3.3Å; Y498-A501 PolarHBondContact O-N 2.86Å; Y498-A501 VanDerWaalsContact O-N 3.1Å; A501-G505 PolarHBondContact O-N 2.88Å; A501-V546 HydrophobicContact CB-CG1 3.71Å; A501-V546 VanDerWaalsContact N-CG1 3.3Å |
| 502 | I | 93.8 | Very high | 93 | Very high | 68 Ų | 68 | 60.4 Ų | 60.4 | 35% | 0.349 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 176.2 | -59.2 | -57.5 | 0 | 0 | 0 | 111 | Y498 A499 V500 G505 N506 | Y498-I502 HydrophobicContact CD1-CG1 4.3Å; Y498-I502 HydrophobicContact CE1-CD1 4.41Å; Y498-I502 HydrophobicContact CE1-CG1 3.88Å; Y498-I502 PolarHBondContact O-N 3.01Å; Y498-I502 VanDerWaalsContact O-N 3.14Å; A499-I502 PolarHBondContact O-N 2.65Å; V500-I502 VanDerWaalsContact C-N 3.3Å; V500-I502 PolarHBondContact O-N 3.09Å; I502-G505 PolarHBondContact O-N 3.37Å; I502-N506 PolarHBondContact O-N 2.75Å; I502-N506 PolarHBondContact O-ND2 2.98Å |
| 503 | T | 95.1 | Very high | 93.5 | Very high | 71 Ų | 71 | 60.1 Ų | 60.1 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 178.6 | -57 | 0 | 0 | 0 | 0 | 111.9 | A499 V500 G505 N506 A507 V520 | A499-T503 PolarHBondContact O-N 2.77Å; A499-T503 VanDerWaalsContact O-N 3.14Å; A499-T503 PolarHBondContact O-OG1 3.25Å; A499-T503 VanDerWaalsContact O-OG1 3.04Å; V500-T503 PolarHBondContact O-N 3.05Å; V500-T503 VanDerWaalsContact O-N 3.17Å; T503-G505 VanDerWaalsContact C-N 3.32Å; T503-G505 PolarHBondContact O-N 3.35Å; T503-N506 PolarHBondContact O-N 3.22Å; T503-A507 WeakPolarHBondContact O-CB 3.35Å; T503-A507 PolarHBondContact O-N 3.44Å; T503-V520 HydrophobicContact CG2-CG1 3.64Å; T503-V520 HydrophobicContact CG2-CG2 4.09Å |
| 504 | V | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 175 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | V500 N506 A507 I508 I517 V520 L521 F547 T550 | V500-V504 HydrophobicContact CG1-CG2 3.96Å; V500-V504 WeakPolarHBondContact O-CB 3.39Å; V500-V504 VanDerWaalsContact O-CG2 3.32Å; V500-V504 WeakPolarHBondContact O-CG2 3.49Å; V500-V504 PolarHBondContact O-N 3.14Å; V504-N506 VanDerWaalsContact C-N 3.33Å; V504-N506 PolarHBondContact O-N 3.18Å; V504-A507 PolarHBondContact O-N 3.18Å; V504-I508 HydrophobicContact CG1-CD1 3.79Å; V504-I508 HydrophobicContact CG1-CG1 4.39Å; V504-I508 WeakPolarHBondContact O-CG1 3.32Å; V504-I508 PolarHBondContact O-N 3.4Å; V504-I517 HydrophobicContact CG1-CG2 4.4Å; V504-V520 HydrophobicContact CG2-CG1 3.79Å; V504-L521 HydrophobicContact CG2-CD2 3.95Å; V504-F547 HydrophobicContact CG1-CD2 4.03Å; V504-T550 HydrophobicContact CG1-CG2 4.14Å |
| 505 | G | 95.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 59.8 Ų | 59.8 | 6% | 0.062 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A501 I502 T503 K509 T550 | A501-G505 PolarHBondContact O-N 2.88Å; I502-G505 PolarHBondContact O-N 3.37Å; T503-G505 VanDerWaalsContact C-N 3.32Å; T503-G505 PolarHBondContact O-N 3.35Å; G505-K509 VanDerWaalsContact O-CG 3.27Å; G505-K509 WeakPolarHBondContact O-CG 3.24Å; G505-K509 PolarHBondContact O-N 3.45Å; G505-K509 VanDerWaalsContact O-N 3.09Å; G505-T550 VanDerWaalsContact CA-CG2 3.42Å |
| 506 | N | 96.1 | Very high | 94.4 | Very high | 78 Ų | 78 | 62.6 Ų | 62.6 | 42% | 0.417 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 175.1 | -71.1 | -25.3 | 0 | 0 | 0 | 111.8 | I502 T503 V504 I508 K509 N510 | I502-N506 PolarHBondContact O-N 2.75Å; I502-N506 PolarHBondContact O-ND2 2.98Å; T503-N506 PolarHBondContact O-N 3.22Å; V504-N506 VanDerWaalsContact C-N 3.33Å; V504-N506 PolarHBondContact O-N 3.18Å; N506-I508 PolarHBondContact O-N 3.21Å; N506-K509 PolarHBondContact O-N 2.84Å; N506-N510 WeakPolarHBondContact O-CB 3.31Å; N506-N510 VanDerWaalsContact O-CG 3.26Å; N506-N510 PolarHBondContact O-N 2.78Å; N506-N510 PolarHBondContact O-ND2 3.33Å |
| 507 | A | 96.3 | Very high | 94.7 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.9 | -47 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T503 V504 K509 N510 R511 A512 I517 | T503-A507 WeakPolarHBondContact O-CB 3.35Å; T503-A507 PolarHBondContact O-N 3.44Å; V504-A507 PolarHBondContact O-N 3.18Å; A507-K509 PolarHBondContact O-N 3.44Å; A507-N510 CarbonylContact O-C 3.5Å; A507-N510 PolarHBondContact O-N 3.34Å; A507-R511 PolarHBondContact O-N 3.31Å; A507-R511 VanDerWaalsContact O-N 3.14Å; A507-A512 HydrophobicContact CB-CB 3.81Å; A507-A512 WeakPolarHBondContact O-CB 3.36Å; A507-A512 PolarHBondContact O-N 2.86Å; A507-I517 HydrophobicContact CB-CG1 4.06Å |
| 508 | I | 96.1 | Very high | 94.9 | Very high | 20 Ų | 20 | 59.8 Ų | 59.8 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 177.6 | -67.5 | 169.2 | 0 | 0 | 0 | 111.2 | V504 N506 N510 R511 I517 F547 L551 L554 F569 | V504-I508 HydrophobicContact CG1-CD1 3.79Å; V504-I508 HydrophobicContact CG1-CG1 4.39Å; V504-I508 WeakPolarHBondContact O-CG1 3.32Å; V504-I508 PolarHBondContact O-N 3.4Å; N506-I508 PolarHBondContact O-N 3.21Å; I508-N510 VanDerWaalsContact C-N 3.3Å; I508-N510 PolarHBondContact O-N 2.69Å; I508-R511 PolarHBondContact O-N 3.33Å; I508-I517 HydrophobicContact CG1-CD1 3.87Å; I508-F547 HydrophobicContact CD1-CE2 4.5Å; I508-L551 HydrophobicContact CD1-CB 4.47Å; I508-L551 HydrophobicContact CD1-CD1 4.11Å; I508-L554 HydrophobicContact CB-CD1 3.8Å; I508-L554 HydrophobicContact CD1-CD1 4.24Å; I508-L554 HydrophobicContact CG2-CD1 3.59Å; I508-F569 HydrophobicContact CB-CZ 4.39Å; I508-F569 HydrophobicContact CG1-CE1 4.42Å; I508-F569 HydrophobicContact CG1-CE2 4.43Å; I508-F569 HydrophobicContact CG1-CZ 3.95Å; I508-F569 HydrophobicContact CG2-CE2 4.11Å; I508-F569 HydrophobicContact CG2-CZ 3.97Å |
| 509 | K | 95.1 | Very high | 94.9 | Very high | 137 Ų | 137 | 62.3 Ų | 62.3 | 60% | 0.596 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.5 | -38.1 | 177.6 | -73.9 | 172.2 | -172.8 | 173.5 | 0 | 112.1 | G505 N506 A507 R511 L554 | G505-K509 VanDerWaalsContact O-CG 3.27Å; G505-K509 WeakPolarHBondContact O-CG 3.24Å; G505-K509 PolarHBondContact O-N 3.45Å; G505-K509 VanDerWaalsContact O-N 3.09Å; N506-K509 PolarHBondContact O-N 2.84Å; A507-K509 PolarHBondContact O-N 3.44Å; K509-R511 PolarHBondContact O-N 3.37Å; K509-L554 HydrophobicContact CD-CD2 4.5Å; K509-L554 VanDerWaalsContact CE-CD2 3.4Å; K509-L554 HydrophobicContact CG-CD1 4.41Å; K509-L554 HydrophobicContact CG-CD2 4.34Å |
| 510 | N | 95.9 | Very high | 95 | Very high | 133 Ų | 133 | 60.4 Ų | 60.4 | 71% | 0.711 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 6 | 177 | -67.3 | -24.1 | 0 | 0 | 0 | 113.6 | N506 A507 I508 A512 | N506-N510 WeakPolarHBondContact O-CB 3.31Å; N506-N510 VanDerWaalsContact O-CG 3.26Å; N506-N510 PolarHBondContact O-N 2.78Å; N506-N510 PolarHBondContact O-ND2 3.33Å; A507-N510 CarbonylContact O-C 3.5Å; A507-N510 PolarHBondContact O-N 3.34Å; I508-N510 VanDerWaalsContact C-N 3.3Å; I508-N510 PolarHBondContact O-N 2.69Å; N510-A512 VanDerWaalsContact C-N 3.31Å; N510-A512 PolarHBondContact O-N 3.15Å |
| 511 | R | 94.1 | Very high | 94.9 | Very high | 210 Ų | 210 | 59.6 Ų | 59.6 | 79% | 0.792 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 35.7 | 177.8 | -49.9 | 178.7 | 177.7 | -169.8 | -0.5 | 113.6 | A507 I508 K509 | A507-R511 PolarHBondContact O-N 3.31Å; A507-R511 VanDerWaalsContact O-N 3.14Å; I508-R511 PolarHBondContact O-N 3.33Å; K509-R511 PolarHBondContact O-N 3.37Å |
| 512 | A | 94.3 | Very high | 94.6 | Very high | 13 Ų | 13 | 66 Ų | 66 | 11% | 0.107 | 33% | 0.332 | C | S | . | . | trans | -52.1 | 152.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A507 N510 E516 I517 | A507-A512 HydrophobicContact CB-CB 3.81Å; A507-A512 WeakPolarHBondContact O-CB 3.36Å; A507-A512 PolarHBondContact O-N 2.86Å; N510-A512 VanDerWaalsContact C-N 3.31Å; N510-A512 PolarHBondContact O-N 3.15Å; A512-E516 WeakPolarHBondContact CA-OE2 3.28Å; A512-E516 HydrophobicContact CB-CB 4.13Å; A512-E516 WeakPolarHBondContact CB-OE2 3.42Å; A512-I517 HydrophobicContact CB-CD1 4.32Å; A512-I517 HydrophobicContact CB-CG1 4.02Å | ||
| 513 | S | 95.9 | Very high | 94.1 | Very high | 51 Ų | 51 | 69 Ų | 69 | 36% | 0.357 | 35% | 0.349 | S | S | . | . | trans | -72.7 | 166.5 | 175 | 78.1 | 0 | 0 | 0 | 0 | 111.6 | E515 E516 I517 | S513-E515 VanDerWaalsContact C-N 3.29Å; S513-E515 PolarHBondContact O-N 3.12Å; S513-E516 PolarHBondContact N-OE2 3.19Å; S513-E516 PolarHBondContact O-N 3.45Å; S513-E516 WeakPolarHBondContact OG-CG 3.28Å; S513-E516 PolarHBondContact OG-N 3.37Å; S513-I517 WeakPolarHBondContact O-CG1 3.34Å; S513-I517 PolarHBondContact O-N 2.86Å | ||
| 514 | N | 95.7 | Very high | 93.9 | Very high | 31 Ų | 31 | 66 Ų | 66 | 17% | 0.166 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 176.3 | -70 | -21.9 | 0 | 0 | 0 | 111.7 | I517 L518 F569 E571 I572 | N514-I517 PolarHBondContact O-N 3.2Å; N514-L518 WeakPolarHBondContact O-CB 3.42Å; N514-L518 WeakPolarHBondContact O-CG 3.42Å; N514-L518 PolarHBondContact O-N 2.84Å; N514-F569 VanDerWaalsContact OD1-CD1 3.31Å; N514-F569 WeakPolarHBondContact OD1-CD1 3.29Å; N514-E571 WeakPolarHBondContact CB-OE2 3.38Å; N514-E571 PolarHBondContact ND2-OE2 3.21Å; N514-I572 HydrophobicContact CB-CD1 4.24Å; N514-I572 HydrophobicContact CB-CG1 3.93Å |
| 515 | E | 95.4 | Very high | 93.5 | Very high | 141 Ų | 141 | 70.1 Ų | 70.1 | 66% | 0.659 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 178.7 | -64.2 | 178.6 | 174.3 | 0 | 0 | 112.7 | S513 I517 L518 T519 | S513-E515 VanDerWaalsContact C-N 3.29Å; S513-E515 PolarHBondContact O-N 3.12Å; E515-I517 VanDerWaalsContact C-N 3.33Å; E515-I517 PolarHBondContact O-N 3.2Å; E515-L518 PolarHBondContact O-N 3.19Å; E515-T519 WeakPolarHBondContact O-CB 3.25Å; E515-T519 PolarHBondContact O-N 2.9Å; E515-T519 PolarHBondContact O-OG1 3.35Å |
| 516 | E | 94.6 | Very high | 93.1 | Very high | 114 Ų | 114 | 70.7 Ų | 70.7 | 53% | 0.533 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 177 | -73.7 | 170.7 | 165.6 | 0 | 0 | 110.8 | A512 S513 T519 V520 | A512-E516 WeakPolarHBondContact CA-OE2 3.28Å; A512-E516 HydrophobicContact CB-CB 4.13Å; A512-E516 WeakPolarHBondContact CB-OE2 3.42Å; S513-E516 PolarHBondContact N-OE2 3.19Å; S513-E516 PolarHBondContact O-N 3.45Å; S513-E516 WeakPolarHBondContact OG-CG 3.28Å; S513-E516 PolarHBondContact OG-N 3.37Å; E516-T519 WeakPolarHBondContact O-CB 3.47Å; E516-T519 PolarHBondContact O-N 2.89Å; E516-V520 WeakPolarHBondContact O-CG2 3.41Å; E516-V520 PolarHBondContact O-N 3.5Å; E516-V520 VanDerWaalsContact O-N 3.15Å |
| 517 | I | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.7 | -41.2 | 178.4 | -63.2 | 168.9 | 0 | 0 | 0 | 111.2 | V504 A507 I508 A512 S513 N514 E515 T519 V520 L521 F547 F569 I572 | V504-I517 HydrophobicContact CG1-CG2 4.4Å; A507-I517 HydrophobicContact CB-CG1 4.06Å; I508-I517 HydrophobicContact CG1-CD1 3.87Å; A512-I517 HydrophobicContact CB-CD1 4.32Å; A512-I517 HydrophobicContact CB-CG1 4.02Å; S513-I517 WeakPolarHBondContact O-CG1 3.34Å; S513-I517 PolarHBondContact O-N 2.86Å; N514-I517 PolarHBondContact O-N 3.2Å; E515-I517 VanDerWaalsContact C-N 3.33Å; E515-I517 PolarHBondContact O-N 3.2Å; I517-T519 PolarHBondContact O-N 2.9Å; I517-V520 WeakPolarHBondContact O-CB 3.27Å; I517-V520 PolarHBondContact O-N 3.4Å; I517-V520 VanDerWaalsContact O-N 3.17Å; I517-L521 HydrophobicContact CG2-CD1 4.21Å; I517-L521 HydrophobicContact CG2-CG 4.45Å; I517-L521 WeakPolarHBondContact O-CG 3.41Å; I517-L521 PolarHBondContact O-N 2.83Å; I517-F547 HydrophobicContact CG2-CD2 4.01Å; I517-F547 HydrophobicContact CG2-CE2 3.86Å; I517-F569 HydrophobicContact CD1-CD1 3.89Å; I517-F569 HydrophobicContact CD1-CE1 3.33Å; I517-F569 HydrophobicContact CD1-CZ 4.15Å; I517-I572 HydrophobicContact CB-CD1 3.76Å; I517-I572 HydrophobicContact CD1-CD1 4.26Å; I517-I572 HydrophobicContact CG2-CD1 3.69Å |
| 518 | L | 94.4 | Very high | 91.9 | Very high | 39 Ų | 39 | 74.8 Ų | 74.8 | 20% | 0.204 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.9 | -37.7 | 174 | -78.7 | 168.2 | 0 | 0 | 0 | 111.5 | N514 E515 L521 K522 I572 V575 | N514-L518 WeakPolarHBondContact O-CB 3.42Å; N514-L518 WeakPolarHBondContact O-CG 3.42Å; N514-L518 PolarHBondContact O-N 2.84Å; E515-L518 PolarHBondContact O-N 3.19Å; L518-L521 PolarHBondContact O-N 3.18Å; L518-K522 WeakPolarHBondContact O-CG 3.32Å; L518-K522 PolarHBondContact O-N 3.22Å; L518-K522 VanDerWaalsContact O-N 3.15Å; L518-I572 HydrophobicContact CD1-CG1 4.48Å; L518-I572 HydrophobicContact CD2-CB 4.47Å; L518-I572 HydrophobicContact CD2-CG1 4.44Å; L518-I572 HydrophobicContact CD2-CG2 3.93Å; L518-I572 HydrophobicContact CG-CG1 4.11Å; L518-I572 HydrophobicContact CG-CG2 4.45Å; L518-V575 HydrophobicContact CD2-CG1 4.29Å |
| 519 | T | 93.3 | Very high | 90.9 | Very high | 84 Ų | 84 | 78.1 Ų | 78.1 | 52% | 0.515 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 175.2 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | E515 E516 I517 L521 K522 | E515-T519 WeakPolarHBondContact O-CB 3.25Å; E515-T519 PolarHBondContact O-N 2.9Å; E515-T519 PolarHBondContact O-OG1 3.35Å; E516-T519 WeakPolarHBondContact O-CB 3.47Å; E516-T519 PolarHBondContact O-N 2.89Å; I517-T519 PolarHBondContact O-N 2.9Å; T519-L521 VanDerWaalsContact C-N 3.25Å; T519-L521 PolarHBondContact O-N 3.21Å; T519-K522 WeakPolarHBondContact O-CB 3.42Å; T519-K522 PolarHBondContact O-N 3.39Å; T519-K522 VanDerWaalsContact O-N 3.13Å |
| 520 | V | 93 | Very high | 89.3 | Confident | 33 Ų | 33 | 79.1 Ų | 79.1 | 20% | 0.2 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.1 | -36.5 | 174.2 | 173 | 0 | 0 | 0 | 0 | 111.8 | V500 T503 V504 E516 I517 K522 | V500-V520 HydrophobicContact CG1-CG1 4Å; T503-V520 HydrophobicContact CG2-CG1 3.64Å; T503-V520 HydrophobicContact CG2-CG2 4.09Å; V504-V520 HydrophobicContact CG2-CG1 3.79Å; E516-V520 WeakPolarHBondContact O-CG2 3.41Å; E516-V520 PolarHBondContact O-N 3.5Å; E516-V520 VanDerWaalsContact O-N 3.15Å; I517-V520 WeakPolarHBondContact O-CB 3.27Å; I517-V520 PolarHBondContact O-N 3.4Å; I517-V520 VanDerWaalsContact O-N 3.17Å; V520-K522 VanDerWaalsContact C-N 3.28Å; V520-K522 PolarHBondContact O-N 2.91Å |
| 521 | L | 92.8 | Very high | 87.5 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.021 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -72.8 | -16.8 | 179.2 | -68.8 | 173.2 | 0 | 0 | 0 | 113.4 | V504 I517 L518 T519 D523 V524 K543 F547 I572 | V504-L521 HydrophobicContact CG2-CD2 3.95Å; I517-L521 HydrophobicContact CG2-CD1 4.21Å; I517-L521 HydrophobicContact CG2-CG 4.45Å; I517-L521 WeakPolarHBondContact O-CG 3.41Å; I517-L521 PolarHBondContact O-N 2.83Å; L518-L521 PolarHBondContact O-N 3.18Å; T519-L521 VanDerWaalsContact C-N 3.25Å; T519-L521 PolarHBondContact O-N 3.21Å; L521-D523 PolarHBondContact O-N 3.44Å; L521-V524 HydrophobicContact CD2-CG2 4.3Å; L521-V524 WeakPolarHBondContact O-CG2 3.32Å; L521-V524 PolarHBondContact O-N 3.44Å; L521-K543 WeakPolarHBondContact O-CD 3.3Å; L521-K543 WeakPolarHBondContact O-CE 3.45Å; L521-F547 HydrophobicContact CD1-CB 4.03Å; L521-F547 HydrophobicContact CD1-CD2 3.97Å; L521-F547 HydrophobicContact CD1-CG 4.07Å; L521-F547 HydrophobicContact CD2-CB 4.02Å; L521-I572 HydrophobicContact CD1-CG2 3.98Å |
| 522 | K | 88.2 | Confident | 85.6 | Confident | 135 Ų | 135 | 78.9 Ų | 78.9 | 59% | 0.587 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.1 | -32.7 | 176.3 | -71.6 | -176.2 | 178.4 | -174 | 0 | 112.3 | L518 T519 V520 V524 | L518-K522 WeakPolarHBondContact O-CG 3.32Å; L518-K522 PolarHBondContact O-N 3.22Å; L518-K522 VanDerWaalsContact O-N 3.15Å; T519-K522 WeakPolarHBondContact O-CB 3.42Å; T519-K522 PolarHBondContact O-N 3.39Å; T519-K522 VanDerWaalsContact O-N 3.13Å; V520-K522 VanDerWaalsContact C-N 3.28Å; V520-K522 PolarHBondContact O-N 2.91Å; K522-V524 PolarHBondContact O-N 2.79Å |
| 523 | D | 83.5 | Confident | 83.7 | Confident | 132 Ų | 132 | 84 Ų | 84 | 71% | 0.706 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 0.8 | -177.3 | -58.9 | -29.5 | 0 | 0 | 0 | 113.7 | L521 | L521-D523 PolarHBondContact O-N 3.44Š|
| 524 | V | 89.5 | Confident | 81.6 | Confident | 6 Ų | 6 | 89.6 Ų | 89.6 | 4% | 0.036 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -79.9 | 121.9 | 178.3 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | V500 L521 K522 N540 L542 K543 | V500-V524 HydrophobicContact CB-CG2 4.15Å; V500-V524 HydrophobicContact CG1-CG2 3.63Å; V500-V524 HydrophobicContact CG2-CG2 4.07Å; L521-V524 HydrophobicContact CD2-CG2 4.3Å; L521-V524 WeakPolarHBondContact O-CG2 3.32Å; L521-V524 PolarHBondContact O-N 3.44Å; K522-V524 PolarHBondContact O-N 2.79Å; V524-N540 PolarHBondContact O-ND2 2.78Å; V524-L542 HydrophobicContact CG1-CB 3.86Å; V524-L542 HydrophobicContact CG1-CD2 3.75Å; V524-L542 HydrophobicContact CG1-CG 3.61Å; V524-K543 HydrophobicContact CB-CG 3.57Å; V524-K543 HydrophobicContact CG1-CG 3.82Å; V524-K543 HydrophobicContact CG2-CG 4.08Å |
| 525 | P | 88.3 | Confident | 79.4 | Confident | 87 Ų | 87 | 97.7 Ų | 97.7 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | trans | -63.1 | 144.4 | 178.7 | 26.6 | -33.8 | 0 | 0 | 0 | 110.8 | P527 N540 L542 | P525-P527 WeakPolarHBondContact O-CD 3.43Å; P525-N540 PolarHBondContact O-ND2 2.82Å; P525-L542 HydrophobicContact CG-CD2 4.05Å | ||
| 526 | N | 88.2 | Confident | 77.4 | Confident | 18 Ų | 18 | 93.3 Ų | 93.3 | 10% | 0.096 | 50% | 0.5 | C | S | . | . | trans | -91.7 | 112.1 | 175.1 | -167 | -10.8 | 0 | 0 | 0 | 109.7 | N528 Q529 F539 N540 | N526-N528 PolarHBondContact O-N 2.74Å; N526-N528 VanDerWaalsContact O-N 3.14Å; N526-N528 WeakPolarHBondContact OD1-CB 3.25Å; N526-N528 PolarHBondContact OD1-N 3.03Å; N526-N528 VanDerWaalsContact OD1-N 3.08Å; N526-Q529 HydrophobicContact CB-CB 4.12Å; N526-Q529 HydrophobicContact CB-CG 3.94Å; N526-Q529 VanDerWaalsContact CB-OE1 3.26Å; N526-Q529 PolarHBondContact O-N 3.01Å; N526-F539 PolarHBondContact ND2-O 2.9Å; N526-F539 PolarHBondContact OD1-O 3.33Å; N526-N540 VanDerWaalsContact CA-ND2 3.29Å; N526-N540 WeakPolarHBondContact CA-ND2 3.41Å; N526-N540 HydrophobicContact CB-CB 4.32Å; N526-N540 WeakPolarHBondContact CB-ND2 3.14Å; N526-N540 PolarHBondContact N-ND2 3.12Å | ||
| 527 | P | 84.7 | Confident | 75.8 | Confident | 85 Ų | 85 | 96.5 Ų | 96.5 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -10.1 | 178.9 | 30.7 | -37.2 | 0 | 0 | 0 | 113.4 | P525 P541 L542 | P525-P527 WeakPolarHBondContact O-CD 3.43Å; P527-P541 HydrophobicContact CG-CG 3.59Å; P527-L542 HydrophobicContact CG-CB 4.38Å |
| 528 | N | 81 | Confident | 74.6 | Confident | 97 Ų | 97 | 98.6 Ų | 98.6 | 52% | 0.519 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -3.2 | 177.6 | -61.1 | -22.7 | 0 | 0 | 0 | 113.4 | N526 F539 P541 | N526-N528 PolarHBondContact O-N 2.74Å; N526-N528 VanDerWaalsContact O-N 3.14Å; N526-N528 WeakPolarHBondContact OD1-CB 3.25Å; N526-N528 PolarHBondContact OD1-N 3.03Å; N526-N528 VanDerWaalsContact OD1-N 3.08Å; N528-F539 PolarHBondContact ND2-O 3.29Å; N528-P541 VanDerWaalsContact ND2-CD 3.25Å; N528-P541 WeakPolarHBondContact ND2-CD 3.39Å |
| 529 | Q | 75.4 | Confident | 74.2 | Confident | 91 Ų | 91 | 99.2 Ų | 99.2 | 43% | 0.425 | 54% | 0.537 | S | S | . | . | trans | -96.9 | 129.4 | 175.8 | -77.4 | 173.8 | -30.1 | 0 | 0 | 109.3 | N526 G536 | N526-Q529 HydrophobicContact CB-CB 4.12Å; N526-Q529 HydrophobicContact CB-CG 3.94Å; N526-Q529 VanDerWaalsContact CB-OE1 3.26Å; N526-Q529 PolarHBondContact O-N 3.01Å; Q529-G536 PolarHBondContact NE2-O 3.03Å | ||
| 530 | E | 62.3 | Low | 74.1 | Confident | 158 Ų | 158 | 95.9 Ų | 95.9 | 74% | 0.738 | 52% | 0.516 | S | S | * | . | trans | -82.2 | 153.4 | 164.9 | -65 | -171.9 | 174.5 | 0 | 0 | 109.3 | D532 D533 | E530-D532 PolarHBondContact O-N 3.4Å; E530-D533 PolarHBondContact O-N 3Å | ||
| 531 | D | 57.4 | Low | 74.1 | Confident | 178 Ų | 178 | 95 Ų | 95 | 95% | 0.952 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -9.6 | -171 | -71.3 | -38.8 | 0 | 0 | 0 | 114.8 | ||
| 532 | D | 53.4 | Low | 74.2 | Confident | 160 Ų | 160 | 95.5 Ų | 95.5 | 86% | 0.856 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | 0.4 | -174.9 | -81.2 | -28.6 | 0 | 0 | 0 | 115.1 | E530 | E530-D532 PolarHBondContact O-N 3.4Š|
| 533 | D | 54.6 | Low | 74.5 | Confident | 121 Ų | 121 | 91.1 Ų | 91.1 | 65% | 0.647 | 50% | 0.495 | S | S | * | . | trans | -95.5 | 95.6 | -180 | -86 | -23.9 | 0 | 0 | 0 | 112.3 | E530 E535 | E530-D533 PolarHBondContact O-N 3Å; D533-E535 PolarHBondContact O-N 3.48Å | ||
| 534 | D | 52.8 | Low | 75.1 | Confident | 168 Ų | 168 | 85 Ų | 85 | 90% | 0.898 | 46% | 0.462 | S | S | * | . | trans | -90.3 | 16.6 | -175 | -132.4 | -0.1 | 0 | 0 | 0 | 114.5 | ||||
| 535 | E | 50.1 | Low | 75.4 | Confident | 200 Ų | 200 | 85.7 Ų | 85.7 | 94% | 0.935 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -132.2 | 86.5 | -177.8 | -72.5 | -170 | 166.8 | 0 | 0 | 113.8 | D533 | D533-E535 PolarHBondContact O-N 3.48Š|
| 536 | G | 52.6 | Low | 75.8 | Confident | 49 Ų | 49 | 81.6 Ų | 81.6 | 51% | 0.505 | 44% | 0.438 | S | S | . | . | trans | 138.7 | 133.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q529 G538 | Q529-G536 PolarHBondContact NE2-O 3.03Å; G536-G538 PolarHBondContact O-N 2.95Å | ||
| 537 | E | 60.8 | Low | 76.2 | Confident | 181 Ų | 181 | 80.7 Ų | 80.7 | 85% | 0.846 | 43% | 0.434 | S | S | * | . | trans | -68.6 | 71.4 | 162.5 | -73.2 | -167.5 | 156.7 | 0 | 0 | 109.8 | ||||
| 538 | G | 69.5 | Low | 76.9 | Confident | 44 Ų | 44 | 76.8 Ų | 76.8 | 45% | 0.454 | 41% | 0.408 | S | S | . | . | trans | -70.3 | 169.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | G536 N540 | G536-G538 PolarHBondContact O-N 2.95Å; G538-N540 PolarHBondContact O-N 3.12Å; G538-N540 VanDerWaalsContact O-N 3.15Å | ||
| 539 | F | 86.2 | Confident | 77.6 | Confident | 52 Ų | 52 | 72.4 Ų | 72.4 | 23% | 0.228 | 38% | 0.384 | C | S | . | . | trans | -49.1 | 118.6 | 173.5 | 165.5 | -115.2 | 0 | 0 | 0 | 111.7 | N526 N528 P541 I544 E581 H585 | N526-F539 PolarHBondContact ND2-O 2.9Å; N526-F539 PolarHBondContact OD1-O 3.33Å; N528-F539 PolarHBondContact ND2-O 3.29Å; F539-P541 HydrophobicContact CE1-CB 4.06Å; F539-P541 HydrophobicContact CE1-CG 4.21Å; F539-P541 HydrophobicContact CE2-CB 4.42Å; F539-P541 HydrophobicContact CZ-CB 3.71Å; F539-P541 HydrophobicContact CZ-CG 4.34Å; F539-I544 HydrophobicContact CD2-CD1 4.34Å; F539-I544 HydrophobicContact CE2-CD1 3.75Å; F539-E581 HydrophobicContact CB-CB 4.48Å; F539-E581 HydrophobicContact CD1-CB 3.7Å; F539-E581 HydrophobicContact CD1-CG 4.42Å; F539-E581 HydrophobicContact CD2-CB 4.02Å; F539-E581 HydrophobicContact CE1-CB 3.86Å; F539-E581 HydrophobicContact CE2-CB 4.18Å; F539-E581 HydrophobicContact CG-CB 3.79Å; F539-E581 HydrophobicContact CZ-CB 4.09Å; F539-H585 HydrophobicContact CE2-CB 3.87Å; F539-H585 HydrophobicContact CZ-CB 3.69Å; F539-H585 AromaticContact CZ-CG 3.87Å | ||
| 540 | N | 91.7 | Very high | 78.7 | Confident | 14 Ų | 14 | 68.2 Ų | 68.2 | 8% | 0.075 | 37% | 0.365 | C | S | . | . | trans | -113.6 | 101.4 | 178.3 | -175.3 | -31.5 | 0 | 0 | 0 | 110.4 | V524 P525 N526 G538 L542 K543 | V524-N540 PolarHBondContact O-ND2 2.78Å; P525-N540 PolarHBondContact O-ND2 2.82Å; N526-N540 VanDerWaalsContact CA-ND2 3.29Å; N526-N540 WeakPolarHBondContact CA-ND2 3.41Å; N526-N540 HydrophobicContact CB-CB 4.32Å; N526-N540 WeakPolarHBondContact CB-ND2 3.14Å; N526-N540 PolarHBondContact N-ND2 3.12Å; G538-N540 PolarHBondContact O-N 3.12Å; G538-N540 VanDerWaalsContact O-N 3.15Å; N540-L542 VanDerWaalsContact C-N 3.31Å; N540-L542 PolarHBondContact O-N 2.99Å; N540-L542 PolarHBondContact OD1-N 2.73Å; N540-K543 HydrophobicContact CB-CB 4.23Å; N540-K543 HydrophobicContact CB-CD 3.98Å; N540-K543 HydrophobicContact CB-CG 4.1Å; N540-K543 WeakPolarHBondContact ND2-CE 3.46Å; N540-K543 PolarHBondContact O-N 3.26Å; N540-K543 PolarHBondContact OD1-N 2.98Å | ||
| 541 | P | 93.2 | Very high | 80.4 | Confident | 16 Ų | 16 | 60.8 Ų | 60.8 | 10% | 0.104 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.6 | -33.7 | -177.9 | 24.2 | -33 | 0 | 0 | 0 | 112.4 | P527 N528 F539 K543 I544 E545 H585 | P527-P541 HydrophobicContact CG-CG 3.59Å; N528-P541 VanDerWaalsContact ND2-CD 3.25Å; N528-P541 WeakPolarHBondContact ND2-CD 3.39Å; F539-P541 HydrophobicContact CE1-CB 4.06Å; F539-P541 HydrophobicContact CE1-CG 4.21Å; F539-P541 HydrophobicContact CE2-CB 4.42Å; F539-P541 HydrophobicContact CZ-CB 3.71Å; F539-P541 HydrophobicContact CZ-CG 4.34Å; P541-K543 PolarHBondContact O-N 3.2Å; P541-I544 PolarHBondContact O-N 3.24Å; P541-E545 WeakPolarHBondContact O-CB 3.43Å; P541-E545 PolarHBondContact O-N 3.34Å; P541-H585 VanDerWaalsContact CB-CE1 3.4Å; P541-H585 WeakPolarHBondContact CB-CE1 3.3Å; P541-H585 PolarHBondContact O-NE2 3.24Å |
| 542 | L | 94.6 | Very high | 82.3 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.2 | -37.7 | -177.6 | -172.2 | 61.4 | 0 | 0 | 0 | 111.6 | P496 V524 P525 P527 N540 I544 E545 V546 | P496-L542 HydrophobicContact CB-CD1 4.18Å; P496-L542 HydrophobicContact CB-CD2 3.93Å; V524-L542 HydrophobicContact CG1-CB 3.86Å; V524-L542 HydrophobicContact CG1-CD2 3.75Å; V524-L542 HydrophobicContact CG1-CG 3.61Å; P525-L542 HydrophobicContact CG-CD2 4.05Å; P527-L542 HydrophobicContact CG-CB 4.38Å; N540-L542 VanDerWaalsContact C-N 3.31Å; N540-L542 PolarHBondContact O-N 2.99Å; N540-L542 PolarHBondContact OD1-N 2.73Å; L542-I544 VanDerWaalsContact C-N 3.3Å; L542-I544 PolarHBondContact O-N 3.24Å; L542-E545 PolarHBondContact O-N 2.9Å; L542-V546 HydrophobicContact CD1-CG2 3.91Å; L542-V546 HydrophobicContact CG-CG2 4.06Å; L542-V546 WeakPolarHBondContact O-CB 3.38Å; L542-V546 WeakPolarHBondContact O-CG2 3.23Å; L542-V546 PolarHBondContact O-N 3.42Å |
| 543 | K | 95 | Very high | 84.4 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 19% | 0.187 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56 | -46.8 | 173.2 | -79.2 | -178 | -167.8 | -173.4 | 0 | 111.3 | L521 V524 N540 P541 F547 L576 | L521-K543 WeakPolarHBondContact O-CD 3.3Å; L521-K543 WeakPolarHBondContact O-CE 3.45Å; V524-K543 HydrophobicContact CB-CG 3.57Å; V524-K543 HydrophobicContact CG1-CG 3.82Å; V524-K543 HydrophobicContact CG2-CG 4.08Å; N540-K543 HydrophobicContact CB-CB 4.23Å; N540-K543 HydrophobicContact CB-CD 3.98Å; N540-K543 HydrophobicContact CB-CG 4.1Å; N540-K543 WeakPolarHBondContact ND2-CE 3.46Å; N540-K543 PolarHBondContact O-N 3.26Å; N540-K543 PolarHBondContact OD1-N 2.98Å; P541-K543 PolarHBondContact O-N 3.2Å; K543-F547 VanDerWaalsContact O-CB 3.26Å; K543-F547 WeakPolarHBondContact O-CB 3.33Å; K543-F547 PolarHBondContact O-N 3.19Å; K543-F547 VanDerWaalsContact O-N 3.12Å; K543-L576 HydrophobicContact CB-CD2 4Å |
| 544 | I | 95.9 | Very high | 86.4 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -49.2 | 178.9 | -57.4 | -173.9 | 0 | 0 | 0 | 110.6 | F539 P541 L542 F547 L548 L576 H585 I586 | F539-I544 HydrophobicContact CD2-CD1 4.34Å; F539-I544 HydrophobicContact CE2-CD1 3.75Å; P541-I544 PolarHBondContact O-N 3.24Å; L542-I544 VanDerWaalsContact C-N 3.3Å; L542-I544 PolarHBondContact O-N 3.24Å; I544-F547 PolarHBondContact O-N 3.28Å; I544-L548 WeakPolarHBondContact O-CB 3.44Å; I544-L548 PolarHBondContact O-N 2.94Å; I544-L576 HydrophobicContact CD1-CB 4.48Å; I544-L576 VanDerWaalsContact CD1-O 3.24Å; I544-L576 WeakPolarHBondContact CD1-O 3.48Å; I544-L576 HydrophobicContact CG1-CB 4.07Å; I544-L576 HydrophobicContact CG1-CD2 4.14Å; I544-L576 HydrophobicContact CG1-CG 4.46Å; I544-H585 HydrophobicContact CD1-CB 4.24Å; I544-I586 HydrophobicContact CG2-CD1 4.41Å; I544-I586 HydrophobicContact CG2-CG1 3.49Å; I544-I586 VanDerWaalsContact CG2-CG1 3.49Å |
| 545 | E | 95.9 | Very high | 88.6 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.7 | -52.4 | -177.9 | -174.7 | 177.5 | -160.2 | 0 | 0 | 111.3 | K486 P541 L542 F547 Q549 V589 | K486-E545 WeakPolarHBondContact CD-OE1 3.26Å; K486-E545 WeakPolarHBondContact CE-OE1 3.48Å; K486-E545 IonicContact NZ-OE1 2.62Å; K486-E545 PolarHBondContact NZ-OE1 2.9Å; K486-E545 IonicContact NZ-OE2 2.93Å; K486-E545 PolarHBondContact NZ-OE2 3.27Å; P541-E545 WeakPolarHBondContact O-CB 3.43Å; P541-E545 PolarHBondContact O-N 3.34Å; L542-E545 PolarHBondContact O-N 2.9Å; E545-F547 PolarHBondContact O-N 3.18Å; E545-Q549 HydrophobicContact CG-CG 4.27Å; E545-Q549 WeakPolarHBondContact O-CB 3.19Å; E545-Q549 VanDerWaalsContact O-CG 3.24Å; E545-Q549 WeakPolarHBondContact O-CG 3.4Å; E545-Q549 PolarHBondContact O-N 2.91Å; E545-V589 HydrophobicContact CB-CG2 4.21Å; E545-V589 HydrophobicContact CG-CG2 4.32Å |
| 546 | V | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -48.9 | -178.9 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | Y487 V500 A501 L542 T550 | Y487-V546 HydrophobicContact CE2-CG2 4.47Å; V500-V546 HydrophobicContact CB-CG1 4.16Å; V500-V546 HydrophobicContact CG1-CG1 4.13Å; A501-V546 HydrophobicContact CB-CG1 3.71Å; A501-V546 VanDerWaalsContact N-CG1 3.3Å; L542-V546 HydrophobicContact CD1-CG2 3.91Å; L542-V546 HydrophobicContact CG-CG2 4.06Å; L542-V546 WeakPolarHBondContact O-CB 3.38Å; L542-V546 WeakPolarHBondContact O-CG2 3.23Å; L542-V546 PolarHBondContact O-N 3.42Å; V546-T550 VanDerWaalsContact O-CB 3.29Å; V546-T550 WeakPolarHBondContact O-CB 3.42Å; V546-T550 PolarHBondContact O-N 3.01Å; V546-T550 PolarHBondContact O-OG1 3.37Å |
| 547 | F | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -53.6 | -177.9 | 176.6 | -108.3 | 0 | 0 | 0 | 111.9 | V504 I508 I517 L521 K543 I544 E545 T550 L551 F569 I572 L573 L576 | V504-F547 HydrophobicContact CG1-CD2 4.03Å; I508-F547 HydrophobicContact CD1-CE2 4.5Å; I517-F547 HydrophobicContact CG2-CD2 4.01Å; I517-F547 HydrophobicContact CG2-CE2 3.86Å; L521-F547 HydrophobicContact CD1-CB 4.03Å; L521-F547 HydrophobicContact CD1-CD2 3.97Å; L521-F547 HydrophobicContact CD1-CG 4.07Å; L521-F547 HydrophobicContact CD2-CB 4.02Å; K543-F547 VanDerWaalsContact O-CB 3.26Å; K543-F547 WeakPolarHBondContact O-CB 3.33Å; K543-F547 PolarHBondContact O-N 3.19Å; K543-F547 VanDerWaalsContact O-N 3.12Å; I544-F547 PolarHBondContact O-N 3.28Å; E545-F547 PolarHBondContact O-N 3.18Å; F547-T550 PolarHBondContact O-N 3.16Å; F547-L551 HydrophobicContact CE1-CD2 3.98Å; F547-L551 HydrophobicContact CZ-CD2 3.95Å; F547-L551 WeakPolarHBondContact O-CB 3.34Å; F547-L551 PolarHBondContact O-N 2.9Å; F547-F569 HydrophobicContact CZ-CB 3.78Å; F547-F569 HydrophobicContact CZ-CG 4.21Å; F547-I572 HydrophobicContact CD1-CG2 4.03Å; F547-I572 HydrophobicContact CD2-CG2 4.27Å; F547-I572 HydrophobicContact CE1-CB 4.12Å; F547-I572 HydrophobicContact CE1-CG2 3.71Å; F547-I572 HydrophobicContact CE2-CD1 3.83Å; F547-I572 HydrophobicContact CE2-CG2 4Å; F547-I572 HydrophobicContact CG-CG2 4.3Å; F547-I572 HydrophobicContact CZ-CB 3.93Å; F547-I572 HydrophobicContact CZ-CD1 3.89Å; F547-I572 HydrophobicContact CZ-CG1 4.49Å; F547-I572 HydrophobicContact CZ-CG2 3.71Å; F547-L573 HydrophobicContact CD1-CD2 4.2Å; F547-L573 HydrophobicContact CE1-CD2 3.72Å; F547-L573 HydrophobicContact CE1-CG 4.02Å; F547-L576 HydrophobicContact CB-CD1 4.15Å; F547-L576 HydrophobicContact CD1-CD1 3.58Å; F547-L576 HydrophobicContact CE1-CD1 4.34Å; F547-L576 HydrophobicContact CG-CD1 4.07Å |
| 548 | L | 97.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.8 | -39.2 | -171.3 | -175.3 | 60.4 | 0 | 0 | 0 | 112.2 | I544 T550 L551 L552 L573 I586 V589 V590 | I544-L548 WeakPolarHBondContact O-CB 3.44Å; I544-L548 PolarHBondContact O-N 2.94Å; L548-T550 VanDerWaalsContact C-N 3.33Å; L548-T550 PolarHBondContact O-N 2.62Å; L548-L551 PolarHBondContact O-N 3.34Å; L548-L552 HydrophobicContact CD1-CD1 3.87Å; L548-L552 HydrophobicContact CD1-CD2 4.42Å; L548-L552 HydrophobicContact CD1-CG 3.85Å; L548-L552 HydrophobicContact CG-CD1 3.9Å; L548-L552 HydrophobicContact CG-CG 4.27Å; L548-L552 WeakPolarHBondContact O-CB 3.3Å; L548-L552 VanDerWaalsContact O-CG 3.32Å; L548-L552 WeakPolarHBondContact O-CG 3.41Å; L548-L552 PolarHBondContact O-N 3.4Å; L548-L573 HydrophobicContact CD1-CD2 4.11Å; L548-I586 HydrophobicContact CD2-CB 4.12Å; L548-I586 HydrophobicContact CD2-CD1 4.31Å; L548-I586 HydrophobicContact CD2-CG1 3.99Å; L548-I586 HydrophobicContact CD2-CG2 3.83Å; L548-V589 HydrophobicContact CB-CG1 4.09Å; L548-V589 HydrophobicContact CD2-CB 4.07Å; L548-V589 HydrophobicContact CD2-CG1 3.97Å; L548-V589 HydrophobicContact CG-CG1 4.09Å; L548-V590 HydrophobicContact CD2-CG2 4.11Å |
| 549 | Q | 96.8 | Very high | 96 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.028 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 173.6 | -75 | -133.5 | 20 | 0 | 0 | 111.2 | Y485 Y487 E545 H553 V589 V593 | Y485-Q549 HydrophobicContact CD2-CB 4.23Å; Y485-Q549 HydrophobicContact CE2-CB 4.17Å; Y487-Q549 HydrophobicContact CE2-CB 4.32Å; E545-Q549 HydrophobicContact CG-CG 4.27Å; E545-Q549 WeakPolarHBondContact O-CB 3.19Å; E545-Q549 VanDerWaalsContact O-CG 3.24Å; E545-Q549 WeakPolarHBondContact O-CG 3.4Å; E545-Q549 PolarHBondContact O-N 2.91Å; Q549-H553 VanDerWaalsContact O-CB 3.25Å; Q549-H553 WeakPolarHBondContact O-CB 3.48Å; Q549-H553 PolarHBondContact O-N 3Å; Q549-V589 HydrophobicContact CG-CG1 3.71Å; Q549-V593 HydrophobicContact CB-CG1 4.33Å; Q549-V593 HydrophobicContact CG-CG1 3.57Å |
| 550 | T | 97.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 179.9 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | Y485 V504 G505 V546 F547 L548 H553 L554 | Y485-T550 PolarHBondContact OH-OG1 3Å; V504-T550 HydrophobicContact CG1-CG2 4.14Å; G505-T550 VanDerWaalsContact CA-CG2 3.42Å; V546-T550 VanDerWaalsContact O-CB 3.29Å; V546-T550 WeakPolarHBondContact O-CB 3.42Å; V546-T550 PolarHBondContact O-N 3.01Å; V546-T550 PolarHBondContact O-OG1 3.37Å; F547-T550 PolarHBondContact O-N 3.16Å; L548-T550 VanDerWaalsContact C-N 3.33Å; L548-T550 PolarHBondContact O-N 2.62Å; T550-H553 PolarHBondContact O-N 3.41Å; T550-L554 HydrophobicContact CG2-CD1 4.32Å; T550-L554 WeakPolarHBondContact O-CG 3.35Å; T550-L554 PolarHBondContact O-N 3.48Å; T550-L554 VanDerWaalsContact O-N 3.13Å |
| 551 | L | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.7 | -49.3 | 178.7 | -179.2 | 63.8 | 0 | 0 | 0 | 111.7 | I508 F547 L548 L554 A555 A565 F569 L573 | I508-L551 HydrophobicContact CD1-CB 4.47Å; I508-L551 HydrophobicContact CD1-CD1 4.11Å; F547-L551 HydrophobicContact CE1-CD2 3.98Å; F547-L551 HydrophobicContact CZ-CD2 3.95Å; F547-L551 WeakPolarHBondContact O-CB 3.34Å; F547-L551 PolarHBondContact O-N 2.9Å; L548-L551 PolarHBondContact O-N 3.34Å; L551-L554 PolarHBondContact O-N 3.46Å; L551-A555 WeakPolarHBondContact O-CB 3.34Å; L551-A555 PolarHBondContact O-N 2.84Å; L551-A555 VanDerWaalsContact O-N 3.17Å; L551-A565 HydrophobicContact CD1-CB 3.86Å; L551-A565 HydrophobicContact CG-CB 4.16Å; L551-F569 HydrophobicContact CD1-CD2 3.35Å; L551-F569 HydrophobicContact CD1-CE2 3.57Å; L551-F569 HydrophobicContact CD1-CG 4.29Å; L551-F569 HydrophobicContact CD2-CB 4.4Å; L551-F569 HydrophobicContact CD2-CD2 4.31Å; L551-F569 HydrophobicContact CG-CD2 4.48Å; L551-L573 HydrophobicContact CD2-CD1 4.49Å |
| 552 | L | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.2 | -35.1 | -178.8 | -67.4 | 178.1 | 0 | 0 | 0 | 111.9 | F483 L548 A555 A556 V590 V593 L604 | F483-L552 HydrophobicContact CE2-CB 3.73Å; F483-L552 HydrophobicContact CZ-CB 3.94Å; L548-L552 HydrophobicContact CD1-CD1 3.87Å; L548-L552 HydrophobicContact CD1-CD2 4.42Å; L548-L552 HydrophobicContact CD1-CG 3.85Å; L548-L552 HydrophobicContact CG-CD1 3.9Å; L548-L552 HydrophobicContact CG-CG 4.27Å; L548-L552 WeakPolarHBondContact O-CB 3.3Å; L548-L552 VanDerWaalsContact O-CG 3.32Å; L548-L552 WeakPolarHBondContact O-CG 3.41Å; L548-L552 PolarHBondContact O-N 3.4Å; L552-A555 CarbonylContact O-C 3.31Å; L552-A555 VanDerWaalsContact O-C 3.31Å; L552-A555 PolarHBondContact O-N 3.07Å; L552-A555 VanDerWaalsContact O-N 3.12Å; L552-A556 WeakPolarHBondContact O-CA 3.49Å; L552-A556 WeakPolarHBondContact O-CB 3.48Å; L552-A556 PolarHBondContact O-N 2.97Å; L552-V590 HydrophobicContact CD1-CG2 4.21Å; L552-V593 HydrophobicContact CD1-CG2 3.83Å; L552-L604 HydrophobicContact CD1-CD1 4.46Å; L552-L604 HydrophobicContact CD2-CD1 4.26Å |
| 553 | H | 97.7 | Very high | 97.4 | Very high | 59 Ų | 59 | 35.1 Ų | 35.1 | 27% | 0.273 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.8 | -50.5 | 173.7 | 175.6 | 63.7 | 0 | 0 | 0 | 111.4 | F483 Y485 Q549 T550 A555 A556 | F483-H553 HydrophobicContact CD1-CB 4.25Å; F483-H553 AromaticContact CD1-ND1 3.81Å; F483-H553 VanDerWaalsContact CE1-CA 3.45Å; F483-H553 HydrophobicContact CE1-CB 3.47Å; F483-H553 VanDerWaalsContact CE1-CB 3.47Å; F483-H553 AromaticContact CE1-ND1 3.84Å; F483-H553 VanDerWaalsContact CZ-CA 3.5Å; F483-H553 HydrophobicContact CZ-CB 3.86Å; F483-H553 VanDerWaalsContact CZ-N 3.27Å; Y485-H553 HydrophobicContact CD1-CB 4.4Å; Y485-H553 AromaticContact CD1-CD2 3.81Å; Y485-H553 AromaticContact CD1-CE1 3.93Å; Y485-H553 AromaticContact CD1-CG 3.76Å; Y485-H553 AromaticContact CD1-ND1 3.84Å; Y485-H553 AromaticContact CD1-NE2 3.95Å; Y485-H553 HydrophobicContact CD2-CB 3.79Å; Y485-H553 AromaticContact CE1-CD2 3.93Å; Y485-H553 HydrophobicContact CE2-CB 4.12Å; Y485-H553 HydrophobicContact CG-CB 3.96Å; Y485-H553 AromaticContact CG-CG 3.7Å; Y485-H553 AromaticContact CG-ND1 3.76Å; Q549-H553 VanDerWaalsContact O-CB 3.25Å; Q549-H553 WeakPolarHBondContact O-CB 3.48Å; Q549-H553 PolarHBondContact O-N 3Å; T550-H553 PolarHBondContact O-N 3.41Å; H553-A555 PolarHBondContact O-N 2.99Å; H553-A556 WeakPolarHBondContact O-CB 3.21Å; H553-A556 PolarHBondContact O-N 3.33Å |
| 554 | L | 97 | Very high | 97.5 | Very high | 60 Ų | 60 | 37 Ų | 37 | 31% | 0.314 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66 | -20.2 | 178.8 | -64.1 | 176.3 | 0 | 0 | 0 | 112.8 | I508 K509 T550 L551 | I508-L554 HydrophobicContact CB-CD1 3.8Å; I508-L554 HydrophobicContact CD1-CD1 4.24Å; I508-L554 HydrophobicContact CG2-CD1 3.59Å; K509-L554 HydrophobicContact CD-CD2 4.5Å; K509-L554 VanDerWaalsContact CE-CD2 3.4Å; K509-L554 HydrophobicContact CG-CD1 4.41Å; K509-L554 HydrophobicContact CG-CD2 4.34Å; T550-L554 HydrophobicContact CG2-CD1 4.32Å; T550-L554 WeakPolarHBondContact O-CG 3.35Å; T550-L554 PolarHBondContact O-N 3.48Å; T550-L554 VanDerWaalsContact O-N 3.13Å; L551-L554 PolarHBondContact O-N 3.46Å |
| 555 | A | 97.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | 10.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | L551 L552 H553 K557 H561 S562 A565 | L551-A555 WeakPolarHBondContact O-CB 3.34Å; L551-A555 PolarHBondContact O-N 2.84Å; L551-A555 VanDerWaalsContact O-N 3.17Å; L552-A555 CarbonylContact O-C 3.31Å; L552-A555 VanDerWaalsContact O-C 3.31Å; L552-A555 PolarHBondContact O-N 3.07Å; L552-A555 VanDerWaalsContact O-N 3.12Å; H553-A555 PolarHBondContact O-N 2.99Å; A555-K557 PolarHBondContact O-N 3.26Å; A555-K557 VanDerWaalsContact O-N 3.13Å; A555-H561 HydrophobicContact CB-CB 4.37Å; A555-H561 WeakPolarHBondContact O-CB 3.37Å; A555-S562 PolarHBondContact O-N 2.79Å; A555-S562 PolarHBondContact O-OG 3.13Å; A555-A565 HydrophobicContact CB-CB 3.58Å |
| 556 | A | 97.5 | Very high | 97.7 | Very high | 31 Ų | 31 | 36.5 Ų | 36.5 | 26% | 0.256 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -8.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F483 L552 H553 S558 W594 | F483-A556 HydrophobicContact CB-CB 4.14Å; F483-A556 HydrophobicContact CD2-CB 4.09Å; F483-A556 HydrophobicContact CG-CB 4.05Å; L552-A556 WeakPolarHBondContact O-CA 3.49Å; L552-A556 WeakPolarHBondContact O-CB 3.48Å; L552-A556 PolarHBondContact O-N 2.97Å; H553-A556 WeakPolarHBondContact O-CB 3.21Å; H553-A556 PolarHBondContact O-N 3.33Å; A556-S558 PolarHBondContact O-N 2.8Å; A556-W594 HydrophobicContact CB-CH2 3.74Å; A556-W594 HydrophobicContact CB-CZ2 3.85Å |
| 557 | K | 97.1 | Very high | 97.7 | Very high | 176 Ų | 176 | 39.3 Ų | 39.3 | 77% | 0.765 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -37.3 | -174.1 | -172.2 | 176.8 | -177.4 | -178.2 | 0 | 114 | A555 | A555-K557 PolarHBondContact O-N 3.26Å; A555-K557 VanDerWaalsContact O-N 3.13Å |
| 558 | S | 97.5 | Very high | 97.7 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | trans | -163.4 | 165.9 | 177.4 | 75.9 | 0 | 0 | 0 | 0 | 111.8 | A556 S560 H561 S562 | A556-S558 PolarHBondContact O-N 2.8Å; S558-S560 PolarHBondContact O-N 3.3Å; S558-S560 PolarHBondContact OG-N 3.32Å; S558-H561 PolarHBondContact O-N 2.87Å; S558-H561 VanDerWaalsContact O-N 3.11Å; S558-H561 PolarHBondContact OG-N 3.41Å; S558-H561 PolarHBondContact OG-ND1 3.13Å; S558-S562 PolarHBondContact O-N 3.42Å; S558-S562 VanDerWaalsContact O-N 3.11Å | ||
| 559 | F | 98.4 | Very high | 97.7 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -52.6 | -43.2 | 174.2 | -61.9 | -14.3 | 0 | 0 | 0 | 112.2 | H561 S562 F563 Q599 M600 V603 | F559-H561 PolarHBondContact O-N 3Å; F559-S562 PolarHBondContact O-N 3.27Å; F559-F563 HydrophobicContact CB-CE2 4.01Å; F559-F563 HydrophobicContact CB-CZ 4.01Å; F559-F563 WeakPolarHBondContact O-CD1 3.37Å; F559-F563 WeakPolarHBondContact O-CD2 3.43Å; F559-F563 WeakPolarHBondContact O-CG 3.36Å; F559-F563 PolarHBondContact O-N 3.14Å; F559-Q599 HydrophobicContact CE2-CG 4.33Å; F559-Q599 HydrophobicContact CZ-CG 3.83Å; F559-M600 HydrophobicContact CD1-CE 3.41Å; F559-M600 VanDerWaalsContact CD1-CE 3.41Å; F559-M600 HydrophobicContact CD1-SD 3.52Å; F559-M600 VanDerWaalsContact CD1-SD 3.52Å; F559-M600 HydrophobicContact CE1-CB 4.17Å; F559-M600 HydrophobicContact CE1-CE 3.65Å; F559-M600 HydrophobicContact CE1-SD 3.75Å; F559-V603 HydrophobicContact CD1-CG2 3.93Å; F559-V603 HydrophobicContact CD2-CG2 4.28Å; F559-V603 HydrophobicContact CE1-CG2 4.05Å; F559-V603 HydrophobicContact CE2-CG1 4.38Å; F559-V603 HydrophobicContact CE2-CG2 4.38Å; F559-V603 HydrophobicContact CG-CG2 4.07Å; F559-V603 HydrophobicContact CZ-CG2 4.29Å |
| 560 | S | 98.2 | Very high | 97.8 | Very high | 81 Ų | 81 | 47.4 Ų | 47.4 | 57% | 0.566 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 179.1 | -53.1 | 0 | 0 | 0 | 0 | 112.7 | S558 F563 S564 | S558-S560 PolarHBondContact O-N 3.3Å; S558-S560 PolarHBondContact OG-N 3.32Å; S560-F563 PolarHBondContact O-N 3.24Å; S560-S564 WeakPolarHBondContact O-CB 3.27Å; S560-S564 PolarHBondContact O-N 3.34Å; S560-S564 PolarHBondContact O-OG 3.45Å; S560-S564 VanDerWaalsContact O-OG 3.13Å |
| 561 | H | 98.3 | Very high | 97.7 | Very high | 90 Ų | 90 | 51.8 Ų | 51.8 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 176.8 | -69.5 | 81.6 | 0 | 0 | 0 | 110.5 | A555 S558 F559 F563 S564 A565 | A555-H561 HydrophobicContact CB-CB 4.37Å; A555-H561 WeakPolarHBondContact O-CB 3.37Å; S558-H561 PolarHBondContact O-N 2.87Å; S558-H561 VanDerWaalsContact O-N 3.11Å; S558-H561 PolarHBondContact OG-N 3.41Å; S558-H561 PolarHBondContact OG-ND1 3.13Å; F559-H561 PolarHBondContact O-N 3Å; H561-F563 PolarHBondContact O-N 3.22Å; H561-S564 PolarHBondContact O-N 3.46Å; H561-A565 VanDerWaalsContact O-CB 3.3Å; H561-A565 WeakPolarHBondContact O-CB 3.47Å; H561-A565 PolarHBondContact O-N 2.89Å |
| 562 | S | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 176.9 | -67.3 | 0 | 0 | 0 | 0 | 112.2 | A555 S558 F559 A565 L566 | A555-S562 PolarHBondContact O-N 2.79Å; A555-S562 PolarHBondContact O-OG 3.13Å; S558-S562 PolarHBondContact O-N 3.42Å; S558-S562 VanDerWaalsContact O-N 3.11Å; F559-S562 PolarHBondContact O-N 3.27Å; S562-A565 WeakPolarHBondContact O-CB 3.34Å; S562-A565 PolarHBondContact O-N 3.05Å; S562-L566 WeakPolarHBondContact O-CG 3.34Å; S562-L566 PolarHBondContact O-N 3.3Å |
| 563 | F | 98.4 | Very high | 97.6 | Very high | 58 Ų | 58 | 51.7 Ų | 51.7 | 25% | 0.254 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 177.3 | -61.4 | -19.6 | 0 | 0 | 0 | 113.1 | F559 S560 H561 A565 L566 A567 V603 L604 K607 | F559-F563 HydrophobicContact CB-CE2 4.01Å; F559-F563 HydrophobicContact CB-CZ 4.01Å; F559-F563 WeakPolarHBondContact O-CD1 3.37Å; F559-F563 WeakPolarHBondContact O-CD2 3.43Å; F559-F563 WeakPolarHBondContact O-CG 3.36Å; F559-F563 PolarHBondContact O-N 3.14Å; S560-F563 PolarHBondContact O-N 3.24Å; H561-F563 PolarHBondContact O-N 3.22Å; F563-A565 VanDerWaalsContact C-N 3.31Å; F563-L566 PolarHBondContact O-N 2.93Å; F563-A567 WeakPolarHBondContact O-CB 3.34Å; F563-A567 PolarHBondContact O-N 3.09Å; F563-V603 HydrophobicContact CE1-CB 4.18Å; F563-V603 HydrophobicContact CE1-CG2 4.02Å; F563-V603 HydrophobicContact CZ-CB 3.87Å; F563-V603 HydrophobicContact CZ-CG2 3.92Å; F563-L604 HydrophobicContact CE1-CD2 4.49Å; F563-K607 HydrophobicContact CD1-CB 4.1Å; F563-K607 HydrophobicContact CD1-CD 4.34Å; F563-K607 HydrophobicContact CD1-CG 3.9Å; F563-K607 HydrophobicContact CE1-CB 4.09Å; F563-K607 HydrophobicContact CE1-CG 4.38Å; F563-K607 HydrophobicContact CG-CD 4.48Å; F563-K607 HydrophobicContact CG-CG 4.46Å |
| 564 | S | 97.7 | Very high | 97.5 | Very high | 81 Ų | 81 | 52.5 Ų | 52.5 | 57% | 0.566 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.4 | -37.2 | 175.3 | -67.9 | 0 | 0 | 0 | 0 | 111.7 | S560 H561 A567 K568 | S560-S564 WeakPolarHBondContact O-CB 3.27Å; S560-S564 PolarHBondContact O-N 3.34Å; S560-S564 PolarHBondContact O-OG 3.45Å; S560-S564 VanDerWaalsContact O-OG 3.13Å; H561-S564 PolarHBondContact O-N 3.46Å; S564-A567 PolarHBondContact O-N 2.85Å; S564-K568 VanDerWaalsContact O-CB 3.31Å; S564-K568 WeakPolarHBondContact O-CB 3.3Å; S564-K568 PolarHBondContact O-N 3.29Å |
| 565 | A | 97.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -50.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L551 A555 H561 S562 F563 A567 K568 F569 | L551-A565 HydrophobicContact CD1-CB 3.86Å; L551-A565 HydrophobicContact CG-CB 4.16Å; A555-A565 HydrophobicContact CB-CB 3.58Å; H561-A565 VanDerWaalsContact O-CB 3.3Å; H561-A565 WeakPolarHBondContact O-CB 3.47Å; H561-A565 PolarHBondContact O-N 2.89Å; S562-A565 WeakPolarHBondContact O-CB 3.34Å; S562-A565 PolarHBondContact O-N 3.05Å; F563-A565 VanDerWaalsContact C-N 3.31Å; A565-A567 VanDerWaalsContact C-N 3.29Å; A565-A567 PolarHBondContact O-N 3.34Å; A565-K568 PolarHBondContact O-N 2.83Å; A565-F569 WeakPolarHBondContact O-CD2 3.45Å; A565-F569 PolarHBondContact O-N 3.48Å; A565-F569 VanDerWaalsContact O-N 3.11Å |
| 566 | L | 97.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.7 | -38.2 | 175.7 | -66.7 | -178.6 | 0 | 0 | 0 | 112.6 | S562 F563 H570 L573 L604 K607 L608 | S562-L566 WeakPolarHBondContact O-CG 3.34Å; S562-L566 PolarHBondContact O-N 3.3Å; F563-L566 PolarHBondContact O-N 2.93Å; L566-H570 WeakPolarHBondContact O-CA 3.4Å; L566-H570 PolarHBondContact O-N 2.72Å; L566-H570 VanDerWaalsContact O-N 3.15Å; L566-L573 HydrophobicContact CB-CD1 4.38Å; L566-L573 HydrophobicContact CD2-CD1 3.62Å; L566-L604 HydrophobicContact CD1-CD2 3.94Å; L566-K607 HydrophobicContact CD1-CB 4.39Å; L566-K607 HydrophobicContact CD1-CG 4.07Å; L566-L608 HydrophobicContact CD1-CD2 4.06Å; L566-L608 HydrophobicContact CD1-CG 4.45Å; L566-L608 HydrophobicContact CD2-CD2 4.24Å |
| 567 | A | 97.4 | Very high | 97.1 | Very high | 58 Ų | 58 | 53.1 Ų | 53.1 | 48% | 0.479 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.9 | -41.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F563 S564 A565 H570 | F563-A567 WeakPolarHBondContact O-CB 3.34Å; F563-A567 PolarHBondContact O-N 3.09Å; S564-A567 PolarHBondContact O-N 2.85Å; A565-A567 VanDerWaalsContact C-N 3.29Å; A565-A567 PolarHBondContact O-N 3.34Å; A567-H570 WeakPolarHBondContact O-CB 3.49Å |
| 568 | K | 97.3 | Very high | 96.8 | Very high | 106 Ų | 106 | 51.9 Ų | 51.9 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | -178.6 | -176.9 | 178.4 | 176.6 | -170.1 | 0 | 111.9 | S564 A565 | S564-K568 VanDerWaalsContact O-CB 3.31Å; S564-K568 WeakPolarHBondContact O-CB 3.3Å; S564-K568 PolarHBondContact O-N 3.29Å; A565-K568 PolarHBondContact O-N 2.83Å |
| 569 | F | 97.9 | Very high | 96.5 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 29.1 | -178 | -55.1 | -79.2 | 0 | 0 | 0 | 112.5 | I508 N514 I517 F547 L551 A565 E571 I572 L573 | I508-F569 HydrophobicContact CB-CZ 4.39Å; I508-F569 HydrophobicContact CG1-CE1 4.42Å; I508-F569 HydrophobicContact CG1-CE2 4.43Å; I508-F569 HydrophobicContact CG1-CZ 3.95Å; I508-F569 HydrophobicContact CG2-CE2 4.11Å; I508-F569 HydrophobicContact CG2-CZ 3.97Å; N514-F569 VanDerWaalsContact OD1-CD1 3.31Å; N514-F569 WeakPolarHBondContact OD1-CD1 3.29Å; I517-F569 HydrophobicContact CD1-CD1 3.89Å; I517-F569 HydrophobicContact CD1-CE1 3.33Å; I517-F569 HydrophobicContact CD1-CZ 4.15Å; F547-F569 HydrophobicContact CZ-CB 3.78Å; F547-F569 HydrophobicContact CZ-CG 4.21Å; L551-F569 HydrophobicContact CD1-CD2 3.35Å; L551-F569 HydrophobicContact CD1-CE2 3.57Å; L551-F569 HydrophobicContact CD1-CG 4.29Å; L551-F569 HydrophobicContact CD2-CB 4.4Å; L551-F569 HydrophobicContact CD2-CD2 4.31Å; L551-F569 HydrophobicContact CG-CD2 4.48Å; A565-F569 WeakPolarHBondContact O-CD2 3.45Å; A565-F569 PolarHBondContact O-N 3.48Å; A565-F569 VanDerWaalsContact O-N 3.11Å; F569-E571 VanDerWaalsContact C-N 3.27Å; F569-E571 PolarHBondContact O-N 3.29Å; F569-I572 HydrophobicContact CB-CD1 4.33Å; F569-I572 HydrophobicContact CD1-CD1 3.88Å; F569-I572 PolarHBondContact O-N 3.38Å; F569-L573 WeakPolarHBondContact O-CG 3.33Å; F569-L573 PolarHBondContact O-N 2.87Å; F569-L573 VanDerWaalsContact O-N 3.12Å |
| 570 | H | 98 | Very high | 96.3 | Very high | 67 Ų | 67 | 53.8 Ų | 53.8 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.8 | -41.1 | -179.3 | 173.8 | -99.9 | 0 | 0 | 0 | 112.3 | L566 A567 L573 K574 T611 | L566-H570 WeakPolarHBondContact O-CA 3.4Å; L566-H570 PolarHBondContact O-N 2.72Å; L566-H570 VanDerWaalsContact O-N 3.15Å; A567-H570 WeakPolarHBondContact O-CB 3.49Å; H570-L573 WeakPolarHBondContact O-CB 3.39Å; H570-L573 PolarHBondContact O-N 3.19Å; H570-K574 VanDerWaalsContact CE1-CG 3.44Å; H570-K574 WeakPolarHBondContact CE1-CG 3.08Å; H570-K574 WeakPolarHBondContact O-CG 3.27Å; H570-K574 PolarHBondContact O-N 2.8Å; H570-T611 PolarHBondContact NE2-O 3.3Å |
| 571 | E | 96.9 | Very high | 96.1 | Very high | 94 Ų | 94 | 55.1 Ų | 55.1 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 178.1 | -174.2 | -175.1 | 173.2 | 0 | 0 | 112.3 | N514 F569 L573 K574 V575 | N514-E571 WeakPolarHBondContact CB-OE2 3.38Å; N514-E571 PolarHBondContact ND2-OE2 3.21Å; F569-E571 VanDerWaalsContact C-N 3.27Å; F569-E571 PolarHBondContact O-N 3.29Å; E571-L573 VanDerWaalsContact C-N 3.3Å; E571-L573 PolarHBondContact O-N 3.1Å; E571-K574 PolarHBondContact O-N 3.23Å; E571-V575 WeakPolarHBondContact O-CG2 3.48Å; E571-V575 PolarHBondContact O-N 3.28Å |
| 572 | I | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 176.7 | -52.7 | -175.5 | 0 | 0 | 0 | 109.9 | N514 I517 L518 L521 F547 F569 K574 V575 L576 | N514-I572 HydrophobicContact CB-CD1 4.24Å; N514-I572 HydrophobicContact CB-CG1 3.93Å; I517-I572 HydrophobicContact CB-CD1 3.76Å; I517-I572 HydrophobicContact CD1-CD1 4.26Å; I517-I572 HydrophobicContact CG2-CD1 3.69Å; L518-I572 HydrophobicContact CD1-CG1 4.48Å; L518-I572 HydrophobicContact CD2-CB 4.47Å; L518-I572 HydrophobicContact CD2-CG1 4.44Å; L518-I572 HydrophobicContact CD2-CG2 3.93Å; L518-I572 HydrophobicContact CG-CG1 4.11Å; L518-I572 HydrophobicContact CG-CG2 4.45Å; L521-I572 HydrophobicContact CD1-CG2 3.98Å; F547-I572 HydrophobicContact CD1-CG2 4.03Å; F547-I572 HydrophobicContact CD2-CG2 4.27Å; F547-I572 HydrophobicContact CE1-CB 4.12Å; F547-I572 HydrophobicContact CE1-CG2 3.71Å; F547-I572 HydrophobicContact CE2-CD1 3.83Å; F547-I572 HydrophobicContact CE2-CG2 4Å; F547-I572 HydrophobicContact CG-CG2 4.3Å; F547-I572 HydrophobicContact CZ-CB 3.93Å; F547-I572 HydrophobicContact CZ-CD1 3.89Å; F547-I572 HydrophobicContact CZ-CG1 4.49Å; F547-I572 HydrophobicContact CZ-CG2 3.71Å; F569-I572 HydrophobicContact CB-CD1 4.33Å; F569-I572 HydrophobicContact CD1-CD1 3.88Å; F569-I572 PolarHBondContact O-N 3.38Å; I572-K574 VanDerWaalsContact C-N 3.31Å; I572-K574 PolarHBondContact O-N 3.21Å; I572-V575 PolarHBondContact O-N 3.3Å; I572-L576 HydrophobicContact CG2-CD1 3.89Å; I572-L576 HydrophobicContact CG2-CG 4.31Å; I572-L576 WeakPolarHBondContact O-CB 3.48Å; I572-L576 VanDerWaalsContact O-CG 3.27Å; I572-L576 WeakPolarHBondContact O-CG 3.45Å; I572-L576 PolarHBondContact O-N 3.46Å |
| 573 | L | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 179.1 | -67.2 | 165.1 | 0 | 0 | 0 | 111.3 | F547 L548 L551 L566 F569 H570 E571 L576 T577 I586 I613 | F547-L573 HydrophobicContact CD1-CD2 4.2Å; F547-L573 HydrophobicContact CE1-CD2 3.72Å; F547-L573 HydrophobicContact CE1-CG 4.02Å; L548-L573 HydrophobicContact CD1-CD2 4.11Å; L551-L573 HydrophobicContact CD2-CD1 4.49Å; L566-L573 HydrophobicContact CB-CD1 4.38Å; L566-L573 HydrophobicContact CD2-CD1 3.62Å; F569-L573 WeakPolarHBondContact O-CG 3.33Å; F569-L573 PolarHBondContact O-N 2.87Å; F569-L573 VanDerWaalsContact O-N 3.12Å; H570-L573 WeakPolarHBondContact O-CB 3.39Å; H570-L573 PolarHBondContact O-N 3.19Å; E571-L573 VanDerWaalsContact C-N 3.3Å; E571-L573 PolarHBondContact O-N 3.1Å; L573-L576 PolarHBondContact O-N 3.3Å; L573-T577 WeakPolarHBondContact O-CB 3.38Å; L573-T577 WeakPolarHBondContact O-CG2 3.26Å; L573-T577 PolarHBondContact O-N 2.82Å; L573-T577 PolarHBondContact O-OG1 3.19Å; L573-I586 HydrophobicContact CD2-CD1 3.8Å; L573-I613 HydrophobicContact CB-CD1 3.96Å; L573-I613 HydrophobicContact CB-CG1 4.16Å; L573-I613 HydrophobicContact CB-CG2 4.13Å; L573-I613 HydrophobicContact CD1-CD1 3.7Å; L573-I613 HydrophobicContact CG-CD1 4.43Å |
| 574 | K | 96.1 | Very high | 95.9 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 176.2 | -76.8 | -62.2 | -60.9 | 166.8 | 0 | 112.3 | H570 E571 I572 L576 T577 D578 Q612 | H570-K574 VanDerWaalsContact CE1-CG 3.44Å; H570-K574 WeakPolarHBondContact CE1-CG 3.08Å; H570-K574 WeakPolarHBondContact O-CG 3.27Å; H570-K574 PolarHBondContact O-N 2.8Å; E571-K574 PolarHBondContact O-N 3.23Å; I572-K574 VanDerWaalsContact C-N 3.31Å; I572-K574 PolarHBondContact O-N 3.21Å; K574-L576 VanDerWaalsContact C-N 3.3Å; K574-L576 PolarHBondContact O-N 3.01Å; K574-T577 CarbonylContact O-C 3.56Å; K574-T577 PolarHBondContact O-N 2.9Å; K574-T577 VanDerWaalsContact O-N 3.16Å; K574-T577 PolarHBondContact O-OG1 3.48Å; K574-D578 PolarHBondContact O-N 2.98Å; K574-Q612 VanDerWaalsContact CD-O 3.32Å; K574-Q612 WeakPolarHBondContact CD-O 3.36Å; K574-Q612 PolarHBondContact NZ-O 3.01Å |
| 575 | V | 94.3 | Very high | 95.8 | Very high | 88 Ų | 88 | 49.6 Ų | 49.6 | 53% | 0.533 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L518 E571 I572 T577 | L518-V575 HydrophobicContact CD2-CG1 4.29Å; E571-V575 WeakPolarHBondContact O-CG2 3.48Å; E571-V575 PolarHBondContact O-N 3.28Å; I572-V575 PolarHBondContact O-N 3.3Å; V575-T577 PolarHBondContact O-N 2.83Å |
| 576 | L | 93.2 | Very high | 95.9 | Very high | 22 Ų | 22 | 49 Ų | 49 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.9 | -16.5 | 179.3 | -71.8 | 178.4 | 0 | 0 | 0 | 114.1 | K543 I544 F547 I572 L573 K574 | K543-L576 HydrophobicContact CB-CD2 4Å; I544-L576 HydrophobicContact CD1-CB 4.48Å; I544-L576 VanDerWaalsContact CD1-O 3.24Å; I544-L576 WeakPolarHBondContact CD1-O 3.48Å; I544-L576 HydrophobicContact CG1-CB 4.07Å; I544-L576 HydrophobicContact CG1-CD2 4.14Å; I544-L576 HydrophobicContact CG1-CG 4.46Å; F547-L576 HydrophobicContact CB-CD1 4.15Å; F547-L576 HydrophobicContact CD1-CD1 3.58Å; F547-L576 HydrophobicContact CE1-CD1 4.34Å; F547-L576 HydrophobicContact CG-CD1 4.07Å; I572-L576 HydrophobicContact CG2-CD1 3.89Å; I572-L576 HydrophobicContact CG2-CG 4.31Å; I572-L576 WeakPolarHBondContact O-CB 3.48Å; I572-L576 VanDerWaalsContact O-CG 3.27Å; I572-L576 WeakPolarHBondContact O-CG 3.45Å; I572-L576 PolarHBondContact O-N 3.46Å; L573-L576 PolarHBondContact O-N 3.3Å; K574-L576 VanDerWaalsContact C-N 3.3Å; K574-L576 PolarHBondContact O-N 3.01Å |
| 577 | T | 94.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 28.3 | -178.7 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | L573 K574 V575 C579 K583 I586 I613 | L573-T577 WeakPolarHBondContact O-CB 3.38Å; L573-T577 WeakPolarHBondContact O-CG2 3.26Å; L573-T577 PolarHBondContact O-N 2.82Å; L573-T577 PolarHBondContact O-OG1 3.19Å; K574-T577 CarbonylContact O-C 3.56Å; K574-T577 PolarHBondContact O-N 2.9Å; K574-T577 VanDerWaalsContact O-N 3.16Å; K574-T577 PolarHBondContact O-OG1 3.48Å; V575-T577 PolarHBondContact O-N 2.83Å; T577-C579 PolarHBondContact O-N 3.21Å; T577-K583 HydrophobicContact CG2-CG 4.46Å; T577-I586 HydrophobicContact CG2-CB 4.35Å; T577-I586 HydrophobicContact CG2-CD1 3.25Å; T577-I586 HydrophobicContact CG2-CG1 3.69Å; T577-I613 WeakPolarHBondContact CB-O 3.37Å; T577-I613 HydrophobicContact CG2-CG2 3.91Å; T577-I613 PolarHBondContact OG1-O 3.37Å |
| 578 | D | 91.7 | Very high | 95.9 | Very high | 149 Ų | 149 | 50.6 Ų | 50.6 | 80% | 0.797 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -68.6 | -23.1 | -179 | -159.5 | 38.1 | 0 | 0 | 0 | 112.7 | K574 | K574-D578 PolarHBondContact O-N 2.98Š|
| 579 | C | 91.8 | Very high | 95.9 | Very high | 42 Ų | 42 | 45.5 Ų | 45.5 | 28% | 0.284 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -109.7 | 162.2 | 172.9 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | T577 E581 G582 K583 | T577-C579 PolarHBondContact O-N 3.21Å; C579-E581 PolarHBondContact O-N 3.01Å; C579-G582 PolarHBondContact O-N 2.68Å; C579-G582 PolarHBondContact SG-N 3.21Å; C579-G582 VanDerWaalsContact SG-N 3.43Å; C579-K583 PolarHBondContact O-N 3.18Å |
| 580 | D | 93.1 | Very high | 95.9 | Very high | 95 Ų | 95 | 45.4 Ų | 45.4 | 51% | 0.508 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.7 | -34.8 | -179.7 | -73.1 | -18.6 | 0 | 0 | 0 | 112.6 | G582 K583 L584 | D580-G582 VanDerWaalsContact C-N 3.27Å; D580-G582 PolarHBondContact O-N 3.23Å; D580-K583 PolarHBondContact O-N 3.42Å; D580-K583 IonicContact OD1-NZ 2.78Å; D580-K583 PolarHBondContact OD1-NZ 3.06Å; D580-L584 WeakPolarHBondContact O-CG 3.21Å; D580-L584 PolarHBondContact O-N 3.04Å |
| 581 | E | 94.3 | Very high | 95.9 | Very high | 109 Ų | 109 | 43 Ų | 43 | 51% | 0.509 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 172 | -64.5 | 78.8 | -172.9 | 0 | 0 | 111.2 | F539 C579 L584 H585 | F539-E581 HydrophobicContact CB-CB 4.48Å; F539-E581 HydrophobicContact CD1-CB 3.7Å; F539-E581 HydrophobicContact CD1-CG 4.42Å; F539-E581 HydrophobicContact CD2-CB 4.02Å; F539-E581 HydrophobicContact CE1-CB 3.86Å; F539-E581 HydrophobicContact CE2-CB 4.18Å; F539-E581 HydrophobicContact CG-CB 3.79Å; F539-E581 HydrophobicContact CZ-CB 4.09Å; C579-E581 PolarHBondContact O-N 3.01Å; E581-L584 PolarHBondContact O-N 3.15Å; E581-H585 VanDerWaalsContact O-CB 3.28Å; E581-H585 WeakPolarHBondContact O-CB 3.26Å; E581-H585 PolarHBondContact O-N 3.22Å |
| 582 | G | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -49 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C579 D580 L584 H585 I586 | C579-G582 PolarHBondContact O-N 2.68Å; C579-G582 PolarHBondContact SG-N 3.21Å; C579-G582 VanDerWaalsContact SG-N 3.43Å; D580-G582 VanDerWaalsContact C-N 3.27Å; D580-G582 PolarHBondContact O-N 3.23Å; G582-L584 PolarHBondContact O-N 3.09Å; G582-H585 PolarHBondContact O-N 3.04Å; G582-I586 PolarHBondContact O-N 2.89Å |
| 583 | K | 97.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 177.4 | -61.9 | 170.6 | -165.6 | 161.6 | 0 | 111.6 | T577 C579 D580 H585 I586 L587 V614 D615 A618 | T577-K583 HydrophobicContact CG2-CG 4.46Å; C579-K583 PolarHBondContact O-N 3.18Å; D580-K583 PolarHBondContact O-N 3.42Å; D580-K583 IonicContact OD1-NZ 2.78Å; D580-K583 PolarHBondContact OD1-NZ 3.06Å; K583-H585 VanDerWaalsContact C-N 3.32Å; K583-H585 PolarHBondContact O-N 3.35Å; K583-I586 PolarHBondContact O-N 3.4Å; K583-L587 WeakPolarHBondContact O-CG 3.3Å; K583-L587 PolarHBondContact O-N 3.12Å; K583-V614 HydrophobicContact CB-CB 4.38Å; K583-V614 HydrophobicContact CB-CG1 4.03Å; K583-V614 HydrophobicContact CG-CG1 4.45Å; K583-D615 WeakPolarHBondContact CD-OD2 3.33Å; K583-D615 WeakPolarHBondContact CE-OD2 3.41Å; K583-D615 IonicContact NZ-OD2 3.34Å; K583-D615 PolarHBondContact NZ-OD2 3.01Å; K583-A618 HydrophobicContact CB-CB 3.87Å; K583-A618 HydrophobicContact CD-CB 4.25Å |
| 584 | L | 97.1 | Very high | 95.9 | Very high | 62 Ų | 62 | 41.4 Ų | 41.4 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.1 | -38.8 | 177.2 | -71.3 | 175 | 0 | 0 | 0 | 111.8 | D580 E581 G582 L587 R588 A618 N621 W622 | D580-L584 WeakPolarHBondContact O-CG 3.21Å; D580-L584 PolarHBondContact O-N 3.04Å; E581-L584 PolarHBondContact O-N 3.15Å; G582-L584 PolarHBondContact O-N 3.09Å; L584-L587 PolarHBondContact O-N 2.81Å; L584-R588 PolarHBondContact O-N 3.22Å; L584-A618 HydrophobicContact CD2-CB 4.48Å; L584-A618 VanDerWaalsContact CD2-O 3.25Å; L584-A618 WeakPolarHBondContact CD2-O 3.3Å; L584-N621 HydrophobicContact CD2-CB 4.01Å; L584-W622 HydrophobicContact CD2-CB 3.99Å |
| 585 | H | 97.2 | Very high | 95.9 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 9% | 0.093 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.7 | -37.9 | 179.1 | -159.2 | 82.1 | 0 | 0 | 0 | 112.4 | F539 P541 I544 E581 G582 K583 L587 R588 V589 | F539-H585 HydrophobicContact CE2-CB 3.87Å; F539-H585 HydrophobicContact CZ-CB 3.69Å; F539-H585 AromaticContact CZ-CG 3.87Å; P541-H585 VanDerWaalsContact CB-CE1 3.4Å; P541-H585 WeakPolarHBondContact CB-CE1 3.3Å; P541-H585 PolarHBondContact O-NE2 3.24Å; I544-H585 HydrophobicContact CD1-CB 4.24Å; E581-H585 VanDerWaalsContact O-CB 3.28Å; E581-H585 WeakPolarHBondContact O-CB 3.26Å; E581-H585 PolarHBondContact O-N 3.22Å; G582-H585 PolarHBondContact O-N 3.04Å; K583-H585 VanDerWaalsContact C-N 3.32Å; K583-H585 PolarHBondContact O-N 3.35Å; H585-L587 VanDerWaalsContact C-N 3.31Å; H585-L587 PolarHBondContact O-N 3.49Å; H585-R588 WeakPolarHBondContact O-CB 3.46Å; H585-R588 PolarHBondContact O-N 2.94Å; H585-V589 WeakPolarHBondContact O-CG2 3.44Å; H585-V589 PolarHBondContact O-N 3.06Å |
| 586 | I | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.4 | -46.8 | 170.4 | -80.7 | -155.4 | 0 | 0 | 0 | 111 | I544 L548 L573 T577 G582 K583 R588 V589 V590 L608 I613 V614 | I544-I586 HydrophobicContact CG2-CD1 4.41Å; I544-I586 HydrophobicContact CG2-CG1 3.49Å; I544-I586 VanDerWaalsContact CG2-CG1 3.49Å; L548-I586 HydrophobicContact CD2-CB 4.12Å; L548-I586 HydrophobicContact CD2-CD1 4.31Å; L548-I586 HydrophobicContact CD2-CG1 3.99Å; L548-I586 HydrophobicContact CD2-CG2 3.83Å; L573-I586 HydrophobicContact CD2-CD1 3.8Å; T577-I586 HydrophobicContact CG2-CB 4.35Å; T577-I586 HydrophobicContact CG2-CD1 3.25Å; T577-I586 HydrophobicContact CG2-CG1 3.69Å; G582-I586 PolarHBondContact O-N 2.89Å; K583-I586 PolarHBondContact O-N 3.4Å; I586-R588 VanDerWaalsContact C-N 3.33Å; I586-R588 PolarHBondContact O-N 3.05Å; I586-V589 PolarHBondContact O-N 2.94Å; I586-V590 HydrophobicContact CG2-CG2 4.44Å; I586-V590 WeakPolarHBondContact O-CG2 3.41Å; I586-V590 PolarHBondContact O-N 2.9Å; I586-L608 HydrophobicContact CG2-CD1 3.89Å; I586-L608 HydrophobicContact CG2-CD2 4.45Å; I586-I613 HydrophobicContact CD1-CG2 4Å; I586-V614 HydrophobicContact CG2-CG1 4.4Å |
| 587 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | -179.9 | -67.6 | 169.2 | 0 | 0 | 0 | 112 | K583 L584 H585 V590 Y591 V605 L608 V614 A618 V619 W622 | K583-L587 WeakPolarHBondContact O-CG 3.3Å; K583-L587 PolarHBondContact O-N 3.12Å; L584-L587 PolarHBondContact O-N 2.81Å; H585-L587 VanDerWaalsContact C-N 3.31Å; H585-L587 PolarHBondContact O-N 3.49Å; L587-V590 PolarHBondContact O-N 3.3Å; L587-Y591 PolarHBondContact O-N 3.47Å; L587-V605 HydrophobicContact CD2-CG1 4.49Å; L587-V605 HydrophobicContact CD2-CG2 3.9Å; L587-L608 HydrophobicContact CD2-CD1 4.3Å; L587-V614 HydrophobicContact CD2-CG1 4.47Å; L587-V614 HydrophobicContact CD2-CG2 4.41Å; L587-V614 HydrophobicContact CG-CG1 4.25Å; L587-A618 HydrophobicContact CD1-CB 4.41Å; L587-V619 HydrophobicContact CD1-CB 4.49Å; L587-V619 HydrophobicContact CD1-CG2 3.87Å; L587-V619 HydrophobicContact CD2-CG2 4.16Å; L587-W622 HydrophobicContact CB-CB 4.15Å; L587-W622 HydrophobicContact CB-CD2 3.73Å; L587-W622 HydrophobicContact CB-CE3 4.27Å; L587-W622 HydrophobicContact CB-CG 3.62Å; L587-W622 HydrophobicContact CD1-CB 3.69Å; L587-W622 HydrophobicContact CD1-CD2 4.25Å; L587-W622 HydrophobicContact CD1-CE3 4.28Å; L587-W622 HydrophobicContact CD1-CG 4.01Å; L587-W622 HydrophobicContact CD2-CE3 4.26Å; L587-W622 HydrophobicContact CG-CD2 4.41Å; L587-W622 HydrophobicContact CG-CG 4.4Å |
| 588 | R | 97.8 | Very high | 96.4 | Very high | 93 Ų | 93 | 42.1 Ų | 42.1 | 35% | 0.351 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.1 | -48.4 | 172.8 | 178.9 | -173.2 | 163.3 | -173.4 | -10.5 | 111.7 | L584 H585 I586 V590 Y591 E592 | L584-R588 PolarHBondContact O-N 3.22Å; H585-R588 WeakPolarHBondContact O-CB 3.46Å; H585-R588 PolarHBondContact O-N 2.94Å; I586-R588 VanDerWaalsContact C-N 3.33Å; I586-R588 PolarHBondContact O-N 3.05Å; R588-V590 VanDerWaalsContact C-N 3.35Å; R588-V590 PolarHBondContact O-N 3.49Å; R588-Y591 WeakPolarHBondContact O-CB 3.17Å; R588-Y591 PolarHBondContact O-N 3.09Å; R588-E592 IonicContact CZ-OE1 3.99Å; R588-E592 IonicContact NE-OE1 3.37Å; R588-E592 PolarHBondContact NE-OE1 3.26Å; R588-E592 IonicContact NH2-OE1 3.83Å; R588-E592 PolarHBondContact NH2-OE1 3.05Å; R588-E592 WeakPolarHBondContact O-CG 3.29Å; R588-E592 PolarHBondContact O-N 2.92Å |
| 589 | V | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 179.2 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | E545 L548 Q549 H585 I586 Y591 E592 V593 | E545-V589 HydrophobicContact CB-CG2 4.21Å; E545-V589 HydrophobicContact CG-CG2 4.32Å; L548-V589 HydrophobicContact CB-CG1 4.09Å; L548-V589 HydrophobicContact CD2-CB 4.07Å; L548-V589 HydrophobicContact CD2-CG1 3.97Å; L548-V589 HydrophobicContact CG-CG1 4.09Å; Q549-V589 HydrophobicContact CG-CG1 3.71Å; H585-V589 WeakPolarHBondContact O-CG2 3.44Å; H585-V589 PolarHBondContact O-N 3.06Å; I586-V589 PolarHBondContact O-N 2.94Å; V589-Y591 VanDerWaalsContact C-N 3.29Å; V589-Y591 PolarHBondContact O-N 2.6Å; V589-E592 PolarHBondContact O-N 2.74Å; V589-V593 HydrophobicContact CG1-CG1 4.45Å; V589-V593 WeakPolarHBondContact O-CG1 3.23Å; V589-V593 WeakPolarHBondContact O-CG2 3.25Å; V589-V593 PolarHBondContact O-N 2.68Å; V589-V593 VanDerWaalsContact O-N 3.1Å |
| 590 | V | 98.1 | Very high | 97 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.6 | -44 | 173 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | L548 L552 I586 L587 R588 V593 W594 I601 L604 L608 | L548-V590 HydrophobicContact CD2-CG2 4.11Å; L552-V590 HydrophobicContact CD1-CG2 4.21Å; I586-V590 HydrophobicContact CG2-CG2 4.44Å; I586-V590 WeakPolarHBondContact O-CG2 3.41Å; I586-V590 PolarHBondContact O-N 2.9Å; L587-V590 PolarHBondContact O-N 3.3Å; R588-V590 VanDerWaalsContact C-N 3.35Å; R588-V590 PolarHBondContact O-N 3.49Å; V590-V593 WeakPolarHBondContact O-CG2 3.47Å; V590-W594 WeakPolarHBondContact O-CB 3.4Å; V590-W594 PolarHBondContact O-N 3.26Å; V590-I601 HydrophobicContact CG1-CG2 4.48Å; V590-L604 HydrophobicContact CG1-CB 4.2Å; V590-L604 HydrophobicContact CG1-CD1 3.99Å; V590-L608 HydrophobicContact CG2-CD1 4.19Å |
| 591 | Y | 97.8 | Very high | 97.3 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 7% | 0.071 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.1 | -52.2 | 175.7 | 175.6 | -109.7 | 0 | 0 | 0 | 111.9 | L587 R588 V589 V593 W594 R595 I601 M628 H630 E631 | L587-Y591 PolarHBondContact O-N 3.47Å; R588-Y591 WeakPolarHBondContact O-CB 3.17Å; R588-Y591 PolarHBondContact O-N 3.09Å; V589-Y591 VanDerWaalsContact C-N 3.29Å; V589-Y591 PolarHBondContact O-N 2.6Å; Y591-V593 VanDerWaalsContact C-N 3.28Å; Y591-V593 PolarHBondContact O-N 2.72Å; Y591-W594 CarbonylContact O-C 3.48Å; Y591-W594 PolarHBondContact O-N 3.33Å; Y591-R595 HydrophobicContact CD2-CB 4.47Å; Y591-R595 HydrophobicContact CE2-CB 3.97Å; Y591-R595 VanDerWaalsContact O-CA 3.32Å; Y591-R595 WeakPolarHBondContact O-CA 3.49Å; Y591-R595 WeakPolarHBondContact O-CB 3.06Å; Y591-R595 PolarHBondContact O-N 2.69Å; Y591-I601 HydrophobicContact CD2-CD1 3.92Å; Y591-I601 HydrophobicContact CE2-CD1 4.49Å; Y591-M628 HydrophobicContact CD1-SD 4.11Å; Y591-M628 HydrophobicContact CD2-CE 4.14Å; Y591-M628 HydrophobicContact CD2-SD 3.69Å; Y591-M628 HydrophobicContact CE1-SD 4.35Å; Y591-M628 HydrophobicContact CE2-CE 4.23Å; Y591-M628 HydrophobicContact CE2-SD 3.99Å; Y591-M628 HydrophobicContact CG-SD 3.78Å; Y591-H630 AromaticContact CZ-NE2 3.69Å; Y591-H630 PolarHBondContact OH-CE1 3.49Å; Y591-H630 PolarHBondContact OH-NE2 3.15Å; Y591-E631 HydrophobicContact CE2-CG 3.98Å; Y591-E631 VanDerWaalsContact OH-CG 3.25Å; Y591-E631 WeakPolarHBondContact OH-CG 3.38Å |
| 592 | E | 96.1 | Very high | 97.5 | Very high | 54 Ų | 54 | 27.6 Ų | 27.6 | 25% | 0.252 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -56.7 | -41.6 | -175.8 | -73.1 | 172.7 | 178 | 0 | 0 | 112.2 | R588 V589 | R588-E592 IonicContact CZ-OE1 3.99Å; R588-E592 IonicContact NE-OE1 3.37Å; R588-E592 PolarHBondContact NE-OE1 3.26Å; R588-E592 IonicContact NH2-OE1 3.83Å; R588-E592 PolarHBondContact NH2-OE1 3.05Å; R588-E592 WeakPolarHBondContact O-CG 3.29Å; R588-E592 PolarHBondContact O-N 2.92Å; V589-E592 PolarHBondContact O-N 2.74Å |
| 593 | V | 97.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -79.8 | -25.7 | -178.5 | -55.5 | 0 | 0 | 0 | 0 | 114 | F483 F484 Q549 L552 V589 V590 Y591 | F483-V593 HydrophobicContact CD2-CB 4.26Å; F483-V593 HydrophobicContact CD2-CG2 4.43Å; F483-V593 HydrophobicContact CE1-CB 4.45Å; F483-V593 HydrophobicContact CE2-CB 3.56Å; F483-V593 HydrophobicContact CE2-CG1 4.4Å; F483-V593 HydrophobicContact CE2-CG2 3.6Å; F483-V593 HydrophobicContact CZ-CB 3.68Å; F483-V593 HydrophobicContact CZ-CG1 4.05Å; F483-V593 HydrophobicContact CZ-CG2 4.06Å; F484-V593 PolarHBondContact N-O 3.17Å; F484-V593 WeakPolarHBondContact O-CB 3.35Å; F484-V593 WeakPolarHBondContact O-CG1 3.48Å; Q549-V593 HydrophobicContact CB-CG1 4.33Å; Q549-V593 HydrophobicContact CG-CG1 3.57Å; L552-V593 HydrophobicContact CD1-CG2 3.83Å; V589-V593 HydrophobicContact CG1-CG1 4.45Å; V589-V593 WeakPolarHBondContact O-CG1 3.23Å; V589-V593 WeakPolarHBondContact O-CG2 3.25Å; V589-V593 PolarHBondContact O-N 2.68Å; V589-V593 VanDerWaalsContact O-N 3.1Å; V590-V593 WeakPolarHBondContact O-CG2 3.47Å; Y591-V593 VanDerWaalsContact C-N 3.28Å; Y591-V593 PolarHBondContact O-N 2.72Å |
| 594 | W | 97.8 | Very high | 97.6 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 2% | 0.023 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -119 | 18 | -176 | -71.7 | 119.9 | 0 | 0 | 0 | 114.5 | F483 A556 V590 Y591 N596 H597 M600 I601 | F483-W594 HydrophobicContact CB-CE3 4.36Å; F483-W594 HydrophobicContact CB-CH2 3.93Å; F483-W594 HydrophobicContact CB-CZ2 4.49Å; F483-W594 HydrophobicContact CB-CZ3 3.85Å; F483-W594 AromaticContact CD2-CD2 3.74Å; F483-W594 HydrophobicContact CD2-CD2 3.74Å; F483-W594 AromaticContact CD2-CE2 3.37Å; F483-W594 AromaticContact CD2-CE3 3.98Å; F483-W594 HydrophobicContact CD2-CE3 3.98Å; F483-W594 HydrophobicContact CD2-CG 4.49Å; F483-W594 AromaticContact CD2-CH2 3.66Å; F483-W594 HydrophobicContact CD2-CH2 3.66Å; F483-W594 AromaticContact CD2-CZ2 3.35Å; F483-W594 HydrophobicContact CD2-CZ2 3.35Å; F483-W594 AromaticContact CD2-CZ3 3.95Å; F483-W594 HydrophobicContact CD2-CZ3 3.95Å; F483-W594 AromaticContact CD2-NE1 3.9Å; F483-W594 HydrophobicContact CE2-CD2 4.3Å; F483-W594 AromaticContact CE2-CE2 3.73Å; F483-W594 AromaticContact CE2-CZ2 3.93Å; F483-W594 HydrophobicContact CE2-CZ2 3.93Å; F483-W594 AromaticContact CE2-NE1 3.76Å; F483-W594 HydrophobicContact CG-CH2 4.25Å; F483-W594 HydrophobicContact CG-CZ2 4.33Å; F483-W594 HydrophobicContact CG-CZ3 4.43Å; A556-W594 HydrophobicContact CB-CH2 3.74Å; A556-W594 HydrophobicContact CB-CZ2 3.85Å; V590-W594 WeakPolarHBondContact O-CB 3.4Å; V590-W594 PolarHBondContact O-N 3.26Å; Y591-W594 CarbonylContact O-C 3.48Å; Y591-W594 PolarHBondContact O-N 3.33Å; W594-N596 PolarHBondContact O-N 3.05Å; W594-H597 HydrophobicContact CE3-CB 3.77Å; W594-H597 HydrophobicContact CZ3-CB 4.35Å; W594-H597 AromaticContact CZ3-CD2 3.86Å; W594-H597 CarbonylContact O-C 3.41Å; W594-H597 WeakPolarHBondContact O-CA 3.39Å; W594-H597 PolarHBondContact O-N 3Å; W594-M600 HydrophobicContact CB-CG 4.43Å; W594-M600 HydrophobicContact CD2-CB 4.1Å; W594-M600 HydrophobicContact CD2-CG 3.51Å; W594-M600 VanDerWaalsContact CE2-CG 3.47Å; W594-M600 HydrophobicContact CE3-CB 4.27Å; W594-M600 HydrophobicContact CE3-CG 4.06Å; W594-M600 HydrophobicContact CG-CB 4.27Å; W594-M600 HydrophobicContact CG-CG 3.7Å; W594-M600 HydrophobicContact CH2-CE 3.83Å; W594-M600 HydrophobicContact CH2-CG 4.45Å; W594-M600 HydrophobicContact CZ2-CE 3.67Å; W594-M600 HydrophobicContact CZ2-CG 3.98Å; W594-M600 HydrophobicContact CZ2-SD 4.41Å; W594-M600 HydrophobicContact CZ3-CE 4.46Å; W594-M600 HydrophobicContact CZ3-CG 4.49Å; W594-I601 HydrophobicContact CB-CD1 4.37Å; W594-I601 HydrophobicContact CB-CG1 3.71Å; W594-I601 WeakPolarHBondContact O-CD1 3.12Å |
| 595 | R | 95.6 | Very high | 97.7 | Very high | 118 Ų | 118 | 25 Ų | 25 | 45% | 0.445 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -30.8 | -176.3 | 60.5 | -176.7 | -179.8 | -177.9 | -0.3 | 115 | F484 Y591 | F484-R595 HydrophobicContact CD2-CG 3.81Å; F484-R595 HydrophobicContact CE2-CG 3.65Å; Y591-R595 HydrophobicContact CD2-CB 4.47Å; Y591-R595 HydrophobicContact CE2-CB 3.97Å; Y591-R595 VanDerWaalsContact O-CA 3.32Å; Y591-R595 WeakPolarHBondContact O-CA 3.49Å; Y591-R595 WeakPolarHBondContact O-CB 3.06Å; Y591-R595 PolarHBondContact O-N 2.69Å |
| 596 | N | 95.6 | Very high | 97.8 | Very high | 48 Ų | 48 | 25.7 Ų | 25.7 | 26% | 0.257 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -5.3 | 176.2 | -73.1 | 12.4 | 0 | 0 | 0 | 113.8 | A479 D480 P481 F484 W594 P598 | A479-N596 HydrophobicContact CB-CB 4.46Å; D480-N596 WeakPolarHBondContact O-CB 3.2Å; P481-N596 WeakPolarHBondContact CA-O 3.42Å; F484-N596 HydrophobicContact CE2-CB 3.91Å; F484-N596 HydrophobicContact CZ-CB 4.48Å; F484-N596 WeakPolarHBondContact CZ-ND2 3.44Å; W594-N596 PolarHBondContact O-N 3.05Å; N596-P598 VanDerWaalsContact C-CD 3.42Å; N596-P598 WeakPolarHBondContact O-CD 3.45Å |
| 597 | H | 98.1 | Very high | 97.8 | Very high | 31 Ų | 31 | 28.6 Ų | 28.6 | 14% | 0.144 | 13% | 0.131 | C | C | . | . | trans | -123 | 71.3 | -179.5 | -163.5 | -5.7 | 0 | 0 | 0 | 111.9 | P481 W594 Q599 M600 I601 | P481-H597 HydrophobicContact CB-CB 3.78Å; W594-H597 HydrophobicContact CE3-CB 3.77Å; W594-H597 HydrophobicContact CZ3-CB 4.35Å; W594-H597 AromaticContact CZ3-CD2 3.86Å; W594-H597 CarbonylContact O-C 3.41Å; W594-H597 WeakPolarHBondContact O-CA 3.39Å; W594-H597 PolarHBondContact O-N 3Å; H597-Q599 PolarHBondContact O-N 3.2Å; H597-Q599 VanDerWaalsContact O-N 3.11Å; H597-M600 HydrophobicContact CB-CB 4.05Å; H597-M600 PolarHBondContact ND1-N 3.05Å; H597-M600 WeakPolarHBondContact O-CB 3.28Å; H597-M600 PolarHBondContact O-N 3.16Å; H597-I601 PolarHBondContact O-N 3.23Å | ||
| 598 | P | 97.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -52.2 | -37.7 | -179.3 | -31.9 | 38.5 | 0 | 0 | 0 | 115 | E454 N596 M600 I601 S602 Y636 | E454-P598 WeakPolarHBondContact OE1-CG 3.34Å; N596-P598 VanDerWaalsContact C-CD 3.42Å; N596-P598 WeakPolarHBondContact O-CD 3.45Å; P598-M600 VanDerWaalsContact C-N 3.33Å; P598-M600 PolarHBondContact O-N 3.04Å; P598-I601 WeakPolarHBondContact O-CB 3.35Å; P598-I601 PolarHBondContact O-N 3.26Å; P598-S602 PolarHBondContact O-N 2.87Å; P598-S602 PolarHBondContact O-OG 2.98Å; P598-S602 VanDerWaalsContact O-OG 3.07Å; P598-Y636 HydrophobicContact CB-CD1 3.9Å; P598-Y636 HydrophobicContact CB-CD2 3.89Å; P598-Y636 HydrophobicContact CB-CE1 4.39Å; P598-Y636 HydrophobicContact CB-CE2 4.39Å; P598-Y636 HydrophobicContact CB-CG 3.62Å; P598-Y636 HydrophobicContact CG-CD1 4.18Å; P598-Y636 HydrophobicContact CG-CE1 4.35Å; P598-Y636 HydrophobicContact CG-CG 4.4Å |
| 599 | Q | 98.4 | Very high | 97.8 | Very high | 61 Ų | 61 | 25.1 Ų | 25.1 | 29% | 0.285 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 176.7 | -170.2 | -175.3 | 16.9 | 0 | 0 | 112.6 | R458 F559 H597 S602 V603 | R458-Q599 HydrophobicContact CG-CB 4.28Å; F559-Q599 HydrophobicContact CE2-CG 4.33Å; F559-Q599 HydrophobicContact CZ-CG 3.83Å; H597-Q599 PolarHBondContact O-N 3.2Å; H597-Q599 VanDerWaalsContact O-N 3.11Å; Q599-S602 PolarHBondContact O-N 3.2Å; Q599-V603 PolarHBondContact O-N 3.42Å |
| 600 | M | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.02 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 175.4 | -180 | 64.1 | 84.8 | 0 | 0 | 110.5 | F559 W594 H597 P598 S602 V603 L604 | F559-M600 HydrophobicContact CD1-CE 3.41Å; F559-M600 VanDerWaalsContact CD1-CE 3.41Å; F559-M600 HydrophobicContact CD1-SD 3.52Å; F559-M600 VanDerWaalsContact CD1-SD 3.52Å; F559-M600 HydrophobicContact CE1-CB 4.17Å; F559-M600 HydrophobicContact CE1-CE 3.65Å; F559-M600 HydrophobicContact CE1-SD 3.75Å; W594-M600 HydrophobicContact CB-CG 4.43Å; W594-M600 HydrophobicContact CD2-CB 4.1Å; W594-M600 HydrophobicContact CD2-CG 3.51Å; W594-M600 VanDerWaalsContact CE2-CG 3.47Å; W594-M600 HydrophobicContact CE3-CB 4.27Å; W594-M600 HydrophobicContact CE3-CG 4.06Å; W594-M600 HydrophobicContact CG-CB 4.27Å; W594-M600 HydrophobicContact CG-CG 3.7Å; W594-M600 HydrophobicContact CH2-CE 3.83Å; W594-M600 HydrophobicContact CH2-CG 4.45Å; W594-M600 HydrophobicContact CZ2-CE 3.67Å; W594-M600 HydrophobicContact CZ2-CG 3.98Å; W594-M600 HydrophobicContact CZ2-SD 4.41Å; W594-M600 HydrophobicContact CZ3-CE 4.46Å; W594-M600 HydrophobicContact CZ3-CG 4.49Å; H597-M600 HydrophobicContact CB-CB 4.05Å; H597-M600 PolarHBondContact ND1-N 3.05Å; H597-M600 WeakPolarHBondContact O-CB 3.28Å; H597-M600 PolarHBondContact O-N 3.16Å; P598-M600 VanDerWaalsContact C-N 3.33Å; P598-M600 PolarHBondContact O-N 3.04Å; M600-S602 VanDerWaalsContact C-N 3.3Å; M600-S602 PolarHBondContact O-N 3.38Å; M600-V603 VanDerWaalsContact O-CG2 3.29Å; M600-V603 WeakPolarHBondContact O-CG2 3.33Å; M600-V603 PolarHBondContact O-N 3.39Å; M600-V603 HydrophobicContact SD-CG2 4.16Å; M600-L604 HydrophobicContact CG-CD1 3.8Å; M600-L604 HydrophobicContact CG-CG 4.11Å; M600-L604 WeakPolarHBondContact O-CB 3.22Å; M600-L604 VanDerWaalsContact O-CG 3.29Å; M600-L604 WeakPolarHBondContact O-CG 3.3Å; M600-L604 PolarHBondContact O-N 3.46Å; M600-L604 HydrophobicContact SD-CD1 4.05Å; M600-L604 HydrophobicContact SD-CD2 4.26Å; M600-L604 HydrophobicContact SD-CG 3.88Å |
| 601 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54.5 | -49.2 | 175.1 | -60.8 | 172.5 | 0 | 0 | 0 | 109.9 | V590 Y591 W594 H597 P598 V603 L604 V605 W622 Y636 I640 | V590-I601 HydrophobicContact CG1-CG2 4.48Å; Y591-I601 HydrophobicContact CD2-CD1 3.92Å; Y591-I601 HydrophobicContact CE2-CD1 4.49Å; W594-I601 HydrophobicContact CB-CD1 4.37Å; W594-I601 HydrophobicContact CB-CG1 3.71Å; W594-I601 WeakPolarHBondContact O-CD1 3.12Å; H597-I601 PolarHBondContact O-N 3.23Å; P598-I601 WeakPolarHBondContact O-CB 3.35Å; P598-I601 PolarHBondContact O-N 3.26Å; I601-V603 VanDerWaalsContact C-N 3.35Å; I601-V603 PolarHBondContact O-N 3.09Å; I601-L604 PolarHBondContact O-N 3.06Å; I601-V605 HydrophobicContact CG2-CG2 4.17Å; I601-V605 WeakPolarHBondContact O-CB 3.38Å; I601-V605 VanDerWaalsContact O-CG2 3.28Å; I601-V605 WeakPolarHBondContact O-CG2 3.43Å; I601-V605 PolarHBondContact O-N 2.97Å; I601-W622 HydrophobicContact CG2-CH2 3.75Å; I601-W622 HydrophobicContact CG2-CZ2 4.47Å; I601-Y636 HydrophobicContact CD1-CE2 4.42Å; I601-I640 HydrophobicContact CG2-CD1 3.88Å |
| 602 | S | 98.4 | Very high | 97.5 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.4 | -43.5 | -178.9 | -55.9 | 0 | 0 | 0 | 0 | 113.3 | P598 Q599 M600 D606 | P598-S602 PolarHBondContact O-N 2.87Å; P598-S602 PolarHBondContact O-OG 2.98Å; P598-S602 VanDerWaalsContact O-OG 3.07Å; Q599-S602 PolarHBondContact O-N 3.2Å; M600-S602 VanDerWaalsContact C-N 3.3Å; M600-S602 PolarHBondContact O-N 3.38Å; S602-D606 WeakPolarHBondContact O-CB 3.21Å; S602-D606 PolarHBondContact O-N 3.38Å; S602-D606 VanDerWaalsContact O-N 3.08Å |
| 603 | V | 98.3 | Very high | 97.6 | Very high | 35 Ų | 35 | 37.6 Ų | 37.6 | 21% | 0.212 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -77.8 | -30.7 | -178.6 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | F559 F563 Q599 M600 I601 K607 | F559-V603 HydrophobicContact CD1-CG2 3.93Å; F559-V603 HydrophobicContact CD2-CG2 4.28Å; F559-V603 HydrophobicContact CE1-CG2 4.05Å; F559-V603 HydrophobicContact CE2-CG1 4.38Å; F559-V603 HydrophobicContact CE2-CG2 4.38Å; F559-V603 HydrophobicContact CG-CG2 4.07Å; F559-V603 HydrophobicContact CZ-CG2 4.29Å; F563-V603 HydrophobicContact CE1-CB 4.18Å; F563-V603 HydrophobicContact CE1-CG2 4.02Å; F563-V603 HydrophobicContact CZ-CB 3.87Å; F563-V603 HydrophobicContact CZ-CG2 3.92Å; Q599-V603 PolarHBondContact O-N 3.42Å; M600-V603 VanDerWaalsContact O-CG2 3.29Å; M600-V603 WeakPolarHBondContact O-CG2 3.33Å; M600-V603 PolarHBondContact O-N 3.39Å; M600-V603 HydrophobicContact SD-CG2 4.16Å; I601-V603 VanDerWaalsContact C-N 3.35Å; I601-V603 PolarHBondContact O-N 3.09Å; V603-K607 WeakPolarHBondContact O-CB 3.49Å; V603-K607 PolarHBondContact O-N 3.03Å |
| 604 | L | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -48 | 172.8 | -72.2 | -178 | 0 | 0 | 0 | 110.7 | L552 F563 L566 V590 M600 I601 D606 K607 L608 | L552-L604 HydrophobicContact CD1-CD1 4.46Å; L552-L604 HydrophobicContact CD2-CD1 4.26Å; F563-L604 HydrophobicContact CE1-CD2 4.49Å; L566-L604 HydrophobicContact CD1-CD2 3.94Å; V590-L604 HydrophobicContact CG1-CB 4.2Å; V590-L604 HydrophobicContact CG1-CD1 3.99Å; M600-L604 HydrophobicContact CG-CD1 3.8Å; M600-L604 HydrophobicContact CG-CG 4.11Å; M600-L604 WeakPolarHBondContact O-CB 3.22Å; M600-L604 VanDerWaalsContact O-CG 3.29Å; M600-L604 WeakPolarHBondContact O-CG 3.3Å; M600-L604 PolarHBondContact O-N 3.46Å; M600-L604 HydrophobicContact SD-CD1 4.05Å; M600-L604 HydrophobicContact SD-CD2 4.26Å; M600-L604 HydrophobicContact SD-CG 3.88Å; I601-L604 PolarHBondContact O-N 3.06Å; L604-D606 VanDerWaalsContact C-N 3.33Å; L604-D606 PolarHBondContact O-N 3.06Å; L604-K607 PolarHBondContact O-N 3.19Å; L604-K607 VanDerWaalsContact O-N 3.09Å; L604-L608 WeakPolarHBondContact O-CB 3.39Å; L604-L608 VanDerWaalsContact O-CG 3.23Å; L604-L608 WeakPolarHBondContact O-CG 3.39Å; L604-L608 PolarHBondContact O-N 3.24Å |
| 605 | V | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -44 | 176 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | L587 I601 K607 L608 I609 V619 W622 I640 | L587-V605 HydrophobicContact CD2-CG1 4.49Å; L587-V605 HydrophobicContact CD2-CG2 3.9Å; I601-V605 HydrophobicContact CG2-CG2 4.17Å; I601-V605 WeakPolarHBondContact O-CB 3.38Å; I601-V605 VanDerWaalsContact O-CG2 3.28Å; I601-V605 WeakPolarHBondContact O-CG2 3.43Å; I601-V605 PolarHBondContact O-N 2.97Å; V605-K607 VanDerWaalsContact C-N 3.3Å; V605-K607 PolarHBondContact O-N 3.29Å; V605-L608 PolarHBondContact O-N 3.08Å; V605-I609 HydrophobicContact CG1-CD1 4.07Å; V605-I609 WeakPolarHBondContact O-CG1 3.47Å; V605-I609 PolarHBondContact O-N 3.01Å; V605-I609 VanDerWaalsContact O-N 3.08Å; V605-V619 HydrophobicContact CG1-CB 4.46Å; V605-V619 HydrophobicContact CG1-CG1 3.78Å; V605-V619 HydrophobicContact CG1-CG2 3.76Å; V605-W622 HydrophobicContact CG2-CH2 4.23Å; V605-W622 HydrophobicContact CG2-CZ3 3.88Å; V605-I640 HydrophobicContact CB-CG2 4.3Å; V605-I640 HydrophobicContact CG1-CG2 3.72Å |
| 606 | D | 98.1 | Very high | 97.6 | Very high | 36 Ų | 36 | 35.3 Ų | 35.3 | 19% | 0.193 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.3 | -44.1 | 173.9 | -178.4 | 85.4 | 0 | 0 | 0 | 112 | S602 L604 R610 K647 | S602-D606 WeakPolarHBondContact O-CB 3.21Å; S602-D606 PolarHBondContact O-N 3.38Å; S602-D606 VanDerWaalsContact O-N 3.08Å; L604-D606 VanDerWaalsContact C-N 3.33Å; L604-D606 PolarHBondContact O-N 3.06Å; D606-R610 WeakPolarHBondContact O-CG 3.43Å; D606-R610 PolarHBondContact O-N 3.43Å; D606-R610 VanDerWaalsContact O-N 3.14Å; D606-R610 IonicContact OD1-CZ 3.44Å; D606-R610 IonicContact OD1-NE 3.41Å; D606-R610 PolarHBondContact OD1-NE 2.76Å; D606-R610 IonicContact OD1-NH2 2.64Å; D606-R610 PolarHBondContact OD1-NH2 3.48Å; D606-R610 IonicContact OD2-CZ 2.68Å; D606-R610 IonicContact OD2-NE 3.52Å; D606-R610 PolarHBondContact OD2-NE 2.9Å; D606-R610 IonicContact OD2-NH2 3.55Å; D606-K647 WeakPolarHBondContact OD1-CD 3.43Å; D606-K647 VanDerWaalsContact OD1-CE 3.3Å; D606-K647 WeakPolarHBondContact OD1-CE 3.42Å; D606-K647 IonicContact OD1-NZ 3.34Å; D606-K647 PolarHBondContact OD1-NZ 3.32Å |
| 607 | K | 98.1 | Very high | 97.7 | Very high | 60 Ų | 60 | 34.7 Ų | 34.7 | 26% | 0.261 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.5 | -45.5 | 179.4 | -171 | 63.4 | 175 | 178 | 0 | 112 | F563 L566 V603 L604 V605 I609 R610 T611 | F563-K607 HydrophobicContact CD1-CB 4.1Å; F563-K607 HydrophobicContact CD1-CD 4.34Å; F563-K607 HydrophobicContact CD1-CG 3.9Å; F563-K607 HydrophobicContact CE1-CB 4.09Å; F563-K607 HydrophobicContact CE1-CG 4.38Å; F563-K607 HydrophobicContact CG-CD 4.48Å; F563-K607 HydrophobicContact CG-CG 4.46Å; L566-K607 HydrophobicContact CD1-CB 4.39Å; L566-K607 HydrophobicContact CD1-CG 4.07Å; V603-K607 WeakPolarHBondContact O-CB 3.49Å; V603-K607 PolarHBondContact O-N 3.03Å; L604-K607 PolarHBondContact O-N 3.19Å; L604-K607 VanDerWaalsContact O-N 3.09Å; V605-K607 VanDerWaalsContact C-N 3.3Å; V605-K607 PolarHBondContact O-N 3.29Å; K607-I609 VanDerWaalsContact C-N 3.31Å; K607-I609 PolarHBondContact O-N 3.44Å; K607-R610 PolarHBondContact O-N 2.68Å; K607-R610 VanDerWaalsContact O-N 3.16Å; K607-T611 HydrophobicContact CD-CG2 4.3Å; K607-T611 PolarHBondContact O-N 2.69Å; K607-T611 PolarHBondContact O-OG1 2.92Å |
| 608 | L | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 179.6 | -68.5 | 171.1 | 0 | 0 | 0 | 111.8 | L566 I586 L587 V590 L604 V605 T611 Q612 I613 V614 | L566-L608 HydrophobicContact CD1-CD2 4.06Å; L566-L608 HydrophobicContact CD1-CG 4.45Å; L566-L608 HydrophobicContact CD2-CD2 4.24Å; I586-L608 HydrophobicContact CG2-CD1 3.89Å; I586-L608 HydrophobicContact CG2-CD2 4.45Å; L587-L608 HydrophobicContact CD2-CD1 4.3Å; V590-L608 HydrophobicContact CG2-CD1 4.19Å; L604-L608 WeakPolarHBondContact O-CB 3.39Å; L604-L608 VanDerWaalsContact O-CG 3.23Å; L604-L608 WeakPolarHBondContact O-CG 3.39Å; L604-L608 PolarHBondContact O-N 3.24Å; V605-L608 PolarHBondContact O-N 3.08Å; L608-T611 PolarHBondContact O-OG1 3.2Å; L608-Q612 PolarHBondContact O-N 2.82Å; L608-I613 HydrophobicContact CB-CB 4.44Å; L608-I613 HydrophobicContact CD2-CB 3.89Å; L608-I613 HydrophobicContact CD2-CD1 3.65Å; L608-I613 HydrophobicContact CD2-CG1 4.38Å; L608-I613 HydrophobicContact CD2-CG2 3.78Å; L608-I613 PolarHBondContact O-N 2.9Å; L608-V614 HydrophobicContact CB-CG1 4.49Å; L608-V614 HydrophobicContact CB-CG2 3.73Å; L608-V614 PolarHBondContact O-N 3.17Å |
| 609 | I | 97.8 | Very high | 97.7 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 10% | 0.097 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.8 | -50.8 | 173.4 | -66.1 | 163 | 0 | 0 | 0 | 110.6 | V605 K607 T611 Q612 V614 V619 T644 K647 | V605-I609 HydrophobicContact CG1-CD1 4.07Å; V605-I609 WeakPolarHBondContact O-CG1 3.47Å; V605-I609 PolarHBondContact O-N 3.01Å; V605-I609 VanDerWaalsContact O-N 3.08Å; K607-I609 VanDerWaalsContact C-N 3.31Å; K607-I609 PolarHBondContact O-N 3.44Å; I609-T611 PolarHBondContact O-N 3.24Å; I609-Q612 PolarHBondContact O-N 3.18Å; I609-V614 WeakPolarHBondContact CA-O 3.33Å; I609-V614 HydrophobicContact CG1-CG2 3.97Å; I609-V619 HydrophobicContact CD1-CG2 4.02Å; I609-V619 HydrophobicContact CG1-CG2 4.03Å; I609-T644 HydrophobicContact CD1-CG2 3.94Å; I609-T644 WeakPolarHBondContact CD1-OG1 3.46Å; I609-K647 HydrophobicContact CG2-CD 4.18Å |
| 610 | R | 95.8 | Very high | 97.7 | Very high | 159 Ų | 159 | 30.4 Ų | 30.4 | 60% | 0.6 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -63.7 | -28.5 | -176.3 | -72.1 | 179.3 | -165.4 | -85.2 | -5.6 | 113.5 | D606 K607 K647 | D606-R610 WeakPolarHBondContact O-CG 3.43Å; D606-R610 PolarHBondContact O-N 3.43Å; D606-R610 VanDerWaalsContact O-N 3.14Å; D606-R610 IonicContact OD1-CZ 3.44Å; D606-R610 IonicContact OD1-NE 3.41Å; D606-R610 PolarHBondContact OD1-NE 2.76Å; D606-R610 IonicContact OD1-NH2 2.64Å; D606-R610 PolarHBondContact OD1-NH2 3.48Å; D606-R610 IonicContact OD2-CZ 2.68Å; D606-R610 IonicContact OD2-NE 3.52Å; D606-R610 PolarHBondContact OD2-NE 2.9Å; D606-R610 IonicContact OD2-NH2 3.55Å; K607-R610 PolarHBondContact O-N 2.68Å; K607-R610 VanDerWaalsContact O-N 3.16Å; R610-K647 HydrophobicContact CG-CD 4.21Å |
| 611 | T | 96 | Very high | 97.6 | Very high | 29 Ų | 29 | 32 Ų | 32 | 18% | 0.178 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 9.5 | 176.5 | 58 | 0 | 0 | 0 | 0 | 112.9 | H570 K607 L608 I609 I613 | H570-T611 PolarHBondContact NE2-O 3.3Å; K607-T611 HydrophobicContact CD-CG2 4.3Å; K607-T611 PolarHBondContact O-N 2.69Å; K607-T611 PolarHBondContact O-OG1 2.92Å; L608-T611 PolarHBondContact O-OG1 3.2Å; I609-T611 PolarHBondContact O-N 3.24Å; T611-I613 PolarHBondContact O-N 3.12Å; T611-I613 VanDerWaalsContact O-N 3.12Å; T611-I613 WeakPolarHBondContact OG1-CD1 3.28Å |
| 612 | Q | 95.8 | Very high | 97.6 | Very high | 147 Ų | 147 | 32.3 Ų | 32.3 | 69% | 0.687 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 30.6 | 178 | -57 | 176.4 | -13.3 | 0 | 0 | 113.7 | K574 L608 I609 | K574-Q612 VanDerWaalsContact CD-O 3.32Å; K574-Q612 WeakPolarHBondContact CD-O 3.36Å; K574-Q612 PolarHBondContact NZ-O 3.01Å; L608-Q612 PolarHBondContact O-N 2.82Å; I609-Q612 PolarHBondContact O-N 3.18Å |
| 613 | I | 97.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -77.1 | -38.3 | 170.2 | -65.6 | 166 | 0 | 0 | 0 | 108.8 | L573 T577 I586 L608 T611 | L573-I613 HydrophobicContact CB-CD1 3.96Å; L573-I613 HydrophobicContact CB-CG1 4.16Å; L573-I613 HydrophobicContact CB-CG2 4.13Å; L573-I613 HydrophobicContact CD1-CD1 3.7Å; L573-I613 HydrophobicContact CG-CD1 4.43Å; T577-I613 WeakPolarHBondContact CB-O 3.37Å; T577-I613 HydrophobicContact CG2-CG2 3.91Å; T577-I613 PolarHBondContact OG1-O 3.37Å; I586-I613 HydrophobicContact CD1-CG2 4Å; L608-I613 HydrophobicContact CB-CB 4.44Å; L608-I613 HydrophobicContact CD2-CB 3.89Å; L608-I613 HydrophobicContact CD2-CD1 3.65Å; L608-I613 HydrophobicContact CD2-CG1 4.38Å; L608-I613 HydrophobicContact CD2-CG2 3.78Å; L608-I613 PolarHBondContact O-N 2.9Å; T611-I613 PolarHBondContact O-N 3.12Å; T611-I613 VanDerWaalsContact O-N 3.12Å; T611-I613 WeakPolarHBondContact OG1-CD1 3.28Å |
| 614 | V | 98 | Very high | 97.6 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.03 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -127.4 | 156.5 | 169 | -53.9 | 0 | 0 | 0 | 0 | 108.9 | K583 I586 L587 L608 I609 V619 | K583-V614 HydrophobicContact CB-CB 4.38Å; K583-V614 HydrophobicContact CB-CG1 4.03Å; K583-V614 HydrophobicContact CG-CG1 4.45Å; I586-V614 HydrophobicContact CG2-CG1 4.4Å; L587-V614 HydrophobicContact CD2-CG1 4.47Å; L587-V614 HydrophobicContact CD2-CG2 4.41Å; L587-V614 HydrophobicContact CG-CG1 4.25Å; L608-V614 HydrophobicContact CB-CG1 4.49Å; L608-V614 HydrophobicContact CB-CG2 3.73Å; L608-V614 PolarHBondContact O-N 3.17Å; I609-V614 WeakPolarHBondContact CA-O 3.33Å; I609-V614 HydrophobicContact CG1-CG2 3.97Å; V614-V619 HydrophobicContact CG2-CG2 3.81Å |
| 615 | D | 96.2 | Very high | 97.5 | Very high | 56 Ų | 56 | 31.2 Ų | 31.2 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | trans | -100.8 | 175.1 | 172.5 | 56.6 | 50.3 | 0 | 0 | 0 | 111.5 | K583 A617 A618 V619 | K583-D615 WeakPolarHBondContact CD-OD2 3.33Å; K583-D615 WeakPolarHBondContact CE-OD2 3.41Å; K583-D615 IonicContact NZ-OD2 3.34Å; K583-D615 PolarHBondContact NZ-OD2 3.01Å; D615-A617 VanDerWaalsContact C-N 3.31Å; D615-A617 PolarHBondContact O-N 3.42Å; D615-A617 PolarHBondContact OD1-N 3.45Å; D615-A617 VanDerWaalsContact OD1-N 3.16Å; D615-A618 WeakPolarHBondContact OD1-CB 3.36Å; D615-A618 PolarHBondContact OD1-N 3.08Å; D615-V619 PolarHBondContact O-N 3.08Å | ||
| 616 | C | 97.7 | Very high | 97.3 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 11% | 0.108 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.5 | -33 | -178.3 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | V619 A620 T644 L715 | C616-V619 PolarHBondContact O-N 3Å; C616-A620 PolarHBondContact O-N 2.68Å; C616-T644 HydrophobicContact CB-CG2 3.55Å; C616-L715 HydrophobicContact CB-CD1 3.86Å; C616-L715 HydrophobicContact CB-CD2 3.77Å; C616-L715 HydrophobicContact CB-CG 4.36Å; C616-L715 WeakPolarHBondContact O-CD1 2.98Å |
| 617 | A | 96.3 | Very high | 97 | Very high | 35 Ų | 35 | 38.4 Ų | 38.4 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.7 | -41.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D615 V619 A620 N621 | D615-A617 VanDerWaalsContact C-N 3.31Å; D615-A617 PolarHBondContact O-N 3.42Å; D615-A617 PolarHBondContact OD1-N 3.45Å; D615-A617 VanDerWaalsContact OD1-N 3.16Å; A617-V619 VanDerWaalsContact C-N 3.31Å; A617-V619 PolarHBondContact O-N 2.93Å; A617-A620 PolarHBondContact O-N 3.1Å; A617-N621 WeakPolarHBondContact O-CB 3.27Å; A617-N621 PolarHBondContact O-N 3.46Å; A617-N621 PolarHBondContact O-ND2 3.05Å; A617-N621 VanDerWaalsContact O-ND2 3.07Å |
| 618 | A | 97.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -43.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K583 L584 L587 D615 N621 W622 | K583-A618 HydrophobicContact CB-CB 3.87Å; K583-A618 HydrophobicContact CD-CB 4.25Å; L584-A618 HydrophobicContact CD2-CB 4.48Å; L584-A618 VanDerWaalsContact CD2-O 3.25Å; L584-A618 WeakPolarHBondContact CD2-O 3.3Å; L587-A618 HydrophobicContact CD1-CB 4.41Å; D615-A618 WeakPolarHBondContact OD1-CB 3.36Å; D615-A618 PolarHBondContact OD1-N 3.08Å; A618-N621 PolarHBondContact O-N 3.17Å; A618-W622 WeakPolarHBondContact O-CB 3.46Å; A618-W622 PolarHBondContact O-N 3.29Å |
| 619 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 176.7 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | L587 V605 I609 V614 D615 C616 A617 W622 L623 I640 T644 | L587-V619 HydrophobicContact CD1-CB 4.49Å; L587-V619 HydrophobicContact CD1-CG2 3.87Å; L587-V619 HydrophobicContact CD2-CG2 4.16Å; V605-V619 HydrophobicContact CG1-CB 4.46Å; V605-V619 HydrophobicContact CG1-CG1 3.78Å; V605-V619 HydrophobicContact CG1-CG2 3.76Å; I609-V619 HydrophobicContact CD1-CG2 4.02Å; I609-V619 HydrophobicContact CG1-CG2 4.03Å; V614-V619 HydrophobicContact CG2-CG2 3.81Å; D615-V619 PolarHBondContact O-N 3.08Å; C616-V619 PolarHBondContact O-N 3Å; A617-V619 VanDerWaalsContact C-N 3.31Å; A617-V619 PolarHBondContact O-N 2.93Å; V619-W622 HydrophobicContact CG1-CE3 4.39Å; V619-W622 PolarHBondContact O-N 3.12Å; V619-L623 HydrophobicContact CG1-CD1 4.3Å; V619-L623 WeakPolarHBondContact O-CG 3.28Å; V619-L623 PolarHBondContact O-N 2.85Å; V619-L623 VanDerWaalsContact O-N 3.09Å; V619-I640 HydrophobicContact CG1-CG2 3.93Å; V619-T644 HydrophobicContact CB-CG2 4.33Å; V619-T644 HydrophobicContact CG1-CG2 4.33Å |
| 620 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.3 | -53.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | C616 A617 W622 L623 F624 L641 L715 V718 I719 | C616-A620 PolarHBondContact O-N 2.68Å; A617-A620 PolarHBondContact O-N 3.1Å; A620-W622 VanDerWaalsContact C-N 3.31Å; A620-W622 PolarHBondContact O-N 3.33Å; A620-L623 PolarHBondContact O-N 2.93Å; A620-F624 WeakPolarHBondContact O-CD2 3.09Å; A620-F624 PolarHBondContact O-N 3.32Å; A620-L641 HydrophobicContact CB-CD1 4.39Å; A620-L715 HydrophobicContact CB-CD1 3.93Å; A620-V718 HydrophobicContact CB-CG1 4.25Å; A620-I719 HydrophobicContact CB-CG1 3.98Å |
| 621 | N | 97.9 | Very high | 96.6 | Very high | 39 Ų | 39 | 36.5 Ų | 36.5 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.5 | -39.2 | 178.8 | -78.1 | -53.6 | 0 | 0 | 0 | 113.2 | L584 A617 A618 F624 S625 R722 | L584-N621 HydrophobicContact CD2-CB 4.01Å; A617-N621 WeakPolarHBondContact O-CB 3.27Å; A617-N621 PolarHBondContact O-N 3.46Å; A617-N621 PolarHBondContact O-ND2 3.05Å; A617-N621 VanDerWaalsContact O-ND2 3.07Å; A618-N621 PolarHBondContact O-N 3.17Å; N621-F624 PolarHBondContact O-N 2.98Å; N621-S625 PolarHBondContact O-N 2.88Å; N621-S625 VanDerWaalsContact O-N 3.15Å; N621-R722 VanDerWaalsContact OD1-CZ 3.31Å; N621-R722 PolarHBondContact OD1-NE 3.25Å; N621-R722 PolarHBondContact OD1-NH2 2.92Å |
| 622 | W | 98.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 176.4 | 165.8 | 63.9 | 0 | 0 | 0 | 112.5 | L584 L587 I601 V605 A618 V619 A620 F624 S625 M628 I640 | L584-W622 HydrophobicContact CD2-CB 3.99Å; L587-W622 HydrophobicContact CB-CB 4.15Å; L587-W622 HydrophobicContact CB-CD2 3.73Å; L587-W622 HydrophobicContact CB-CE3 4.27Å; L587-W622 HydrophobicContact CB-CG 3.62Å; L587-W622 HydrophobicContact CD1-CB 3.69Å; L587-W622 HydrophobicContact CD1-CD2 4.25Å; L587-W622 HydrophobicContact CD1-CE3 4.28Å; L587-W622 HydrophobicContact CD1-CG 4.01Å; L587-W622 HydrophobicContact CD2-CE3 4.26Å; L587-W622 HydrophobicContact CG-CD2 4.41Å; L587-W622 HydrophobicContact CG-CG 4.4Å; I601-W622 HydrophobicContact CG2-CH2 3.75Å; I601-W622 HydrophobicContact CG2-CZ2 4.47Å; V605-W622 HydrophobicContact CG2-CH2 4.23Å; V605-W622 HydrophobicContact CG2-CZ3 3.88Å; A618-W622 WeakPolarHBondContact O-CB 3.46Å; A618-W622 PolarHBondContact O-N 3.29Å; V619-W622 HydrophobicContact CG1-CE3 4.39Å; V619-W622 PolarHBondContact O-N 3.12Å; A620-W622 VanDerWaalsContact C-N 3.31Å; A620-W622 PolarHBondContact O-N 3.33Å; W622-F624 VanDerWaalsContact C-N 3.28Å; W622-F624 PolarHBondContact O-N 3.3Å; W622-S625 WeakPolarHBondContact O-CB 2.96Å; W622-S625 PolarHBondContact O-N 3.31Å; W622-S625 PolarHBondContact O-OG 2.76Å; W622-M628 HydrophobicContact CH2-CE 4.32Å; W622-M628 HydrophobicContact CZ2-CE 3.89Å; W622-M628 HydrophobicContact CZ2-CG 4.27Å; W622-M628 HydrophobicContact CZ2-SD 3.59Å; W622-M628 VanDerWaalsContact CZ2-SD 3.59Å; W622-M628 VanDerWaalsContact O-CG 3.27Å; W622-M628 WeakPolarHBondContact O-CG 3.45Å; W622-I640 HydrophobicContact CH2-CD1 4.37Å; W622-I640 HydrophobicContact CZ3-CD1 4.4Å; W622-I640 HydrophobicContact CZ3-CG2 4.4Å |
| 623 | L | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -31.2 | -179.9 | -67.3 | 176.2 | 0 | 0 | 0 | 112.9 | V619 A620 S625 M628 V637 I640 L641 | V619-L623 HydrophobicContact CG1-CD1 4.3Å; V619-L623 WeakPolarHBondContact O-CG 3.28Å; V619-L623 PolarHBondContact O-N 2.85Å; V619-L623 VanDerWaalsContact O-N 3.09Å; A620-L623 PolarHBondContact O-N 2.93Å; L623-S625 VanDerWaalsContact C-N 3.34Å; L623-M628 WeakPolarHBondContact O-CB 3.45Å; L623-V637 HydrophobicContact CB-CG1 4.46Å; L623-V637 HydrophobicContact CD2-CG1 4.15Å; L623-I640 HydrophobicContact CD1-CB 4.34Å; L623-I640 HydrophobicContact CD1-CG2 4.06Å; L623-I640 HydrophobicContact CD2-CG2 4.37Å; L623-L641 HydrophobicContact CD1-CB 3.67Å; L623-L641 HydrophobicContact CD1-CD1 4.1Å; L623-L641 HydrophobicContact CD1-CG 4.43Å |
| 624 | F | 97.9 | Very high | 96.8 | Very high | 15 Ų | 15 | 31 Ų | 31 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 4.7 | 173.9 | -67 | -79.8 | 0 | 0 | 0 | 113.5 | A620 N621 W622 F632 W638 L641 I719 R722 F723 M726 | A620-F624 WeakPolarHBondContact O-CD2 3.09Å; A620-F624 PolarHBondContact O-N 3.32Å; N621-F624 PolarHBondContact O-N 2.98Å; W622-F624 VanDerWaalsContact C-N 3.28Å; W622-F624 PolarHBondContact O-N 3.3Å; F624-F632 AromaticContact CD1-CE2 3.66Å; F624-F632 HydrophobicContact CD1-CE2 3.66Å; F624-F632 HydrophobicContact CD1-CZ 4.25Å; F624-F632 AromaticContact CE1-CE2 3.72Å; F624-F632 HydrophobicContact CE1-CE2 3.72Å; F624-F632 HydrophobicContact CE1-CZ 4.03Å; F624-W638 HydrophobicContact CE1-CH2 4.35Å; F624-W638 HydrophobicContact CZ-CH2 4.49Å; F624-W638 HydrophobicContact CZ-CZ3 4.4Å; F624-L641 HydrophobicContact CE2-CD2 4.4Å; F624-L641 HydrophobicContact CZ-CD2 4.4Å; F624-I719 HydrophobicContact CE2-CG2 4.42Å; F624-I719 HydrophobicContact CZ-CG2 4.4Å; F624-R722 HydrophobicContact CB-CB 3.9Å; F624-R722 HydrophobicContact CB-CG 3.98Å; F624-R722 HydrophobicContact CD1-CB 3.78Å; F624-R722 HydrophobicContact CD2-CB 3.63Å; F624-R722 HydrophobicContact CD2-CG 3.91Å; F624-R722 HydrophobicContact CE1-CB 4.17Å; F624-R722 HydrophobicContact CE2-CB 4.08Å; F624-R722 HydrophobicContact CG-CB 3.5Å; F624-R722 VanDerWaalsContact CG-CB 3.5Å; F624-R722 HydrophobicContact CG-CG 3.97Å; F624-R722 HydrophobicContact CZ-CB 4.33Å; F624-F723 HydrophobicContact CE1-CD1 4.12Å; F624-F723 HydrophobicContact CE1-CD2 4.19Å; F624-F723 HydrophobicContact CE1-CE1 4.07Å; F624-F723 HydrophobicContact CE1-CE2 4.15Å; F624-F723 HydrophobicContact CE1-CG 4.19Å; F624-F723 HydrophobicContact CE1-CZ 4.1Å; F624-F723 AromaticContact CZ-CD2 3.84Å; F624-F723 HydrophobicContact CZ-CD2 3.84Å; F624-F723 HydrophobicContact CZ-CE1 4.33Å; F624-F723 AromaticContact CZ-CE2 3.62Å; F624-F723 HydrophobicContact CZ-CE2 3.62Å; F624-F723 HydrophobicContact CZ-CG 4.3Å; F624-F723 AromaticContact CZ-CZ 3.9Å; F624-F723 HydrophobicContact CZ-CZ 3.9Å; F624-M726 HydrophobicContact CB-SD 4.43Å; F624-M726 HydrophobicContact CD1-SD 3.62Å; F624-M726 HydrophobicContact CE1-SD 4.44Å |
| 625 | S | 96.2 | Very high | 96.7 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 15% | 0.154 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -73.6 | 155.6 | -177.4 | 73.7 | 0 | 0 | 0 | 0 | 112.2 | N621 W622 L623 N627 M628 A629 | N621-S625 PolarHBondContact O-N 2.88Å; N621-S625 VanDerWaalsContact O-N 3.15Å; W622-S625 WeakPolarHBondContact O-CB 2.96Å; W622-S625 PolarHBondContact O-N 3.31Å; W622-S625 PolarHBondContact O-OG 2.76Å; L623-S625 VanDerWaalsContact C-N 3.34Å; S625-N627 PolarHBondContact O-N 3.34Å; S625-N627 VanDerWaalsContact O-N 3.12Å; S625-M628 PolarHBondContact O-N 3.3Å; S625-A629 PolarHBondContact O-N 2.87Å |
| 626 | P | 94.4 | Very high | 96.8 | Very high | 113 Ų | 113 | 28.7 Ų | 28.7 | 73% | 0.734 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -55.5 | -31.6 | 175.7 | -26.4 | 35 | 0 | 0 | 0 | 113.6 | M628 A629 | P626-M628 PolarHBondContact O-N 2.95Å; P626-A629 VanDerWaalsContact O-CB 3.26Å; P626-A629 WeakPolarHBondContact O-CB 3.35Å; P626-A629 PolarHBondContact O-N 3.18Å |
| 627 | N | 91.4 | Very high | 96.8 | Very high | 76 Ų | 76 | 28 Ų | 28 | 41% | 0.406 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -65.4 | -25.2 | 178.3 | -64.6 | -23.8 | 0 | 0 | 0 | 112.8 | S625 H630 | S625-N627 PolarHBondContact O-N 3.34Å; S625-N627 VanDerWaalsContact O-N 3.12Å; N627-H630 PolarHBondContact O-CE1 3.29Å; N627-H630 PolarHBondContact O-ND1 3.01Å |
| 628 | M | 96.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -98.3 | -0.6 | 178.5 | -66.7 | -58.4 | -63.2 | 0 | 0 | 112.9 | Y591 W622 L623 S625 P626 H630 E631 F632 V637 | Y591-M628 HydrophobicContact CD1-SD 4.11Å; Y591-M628 HydrophobicContact CD2-CE 4.14Å; Y591-M628 HydrophobicContact CD2-SD 3.69Å; Y591-M628 HydrophobicContact CE1-SD 4.35Å; Y591-M628 HydrophobicContact CE2-CE 4.23Å; Y591-M628 HydrophobicContact CE2-SD 3.99Å; Y591-M628 HydrophobicContact CG-SD 3.78Å; W622-M628 HydrophobicContact CH2-CE 4.32Å; W622-M628 HydrophobicContact CZ2-CE 3.89Å; W622-M628 HydrophobicContact CZ2-CG 4.27Å; W622-M628 HydrophobicContact CZ2-SD 3.59Å; W622-M628 VanDerWaalsContact CZ2-SD 3.59Å; W622-M628 VanDerWaalsContact O-CG 3.27Å; W622-M628 WeakPolarHBondContact O-CG 3.45Å; L623-M628 WeakPolarHBondContact O-CB 3.45Å; S625-M628 PolarHBondContact O-N 3.3Å; P626-M628 PolarHBondContact O-N 2.95Å; M628-H630 VanDerWaalsContact C-N 3.28Å; M628-H630 PolarHBondContact O-N 3.25Å; M628-E631 HydrophobicContact CE-CB 3.98Å; M628-E631 HydrophobicContact CE-CG 4.41Å; M628-E631 CarbonylContact O-C 3.48Å; M628-E631 PolarHBondContact O-N 3.43Å; M628-F632 PolarHBondContact O-N 3.16Å; M628-V637 HydrophobicContact CE-CG2 4.07Å |
| 629 | A | 95.3 | Very high | 97 | Very high | 53 Ų | 53 | 28.6 Ų | 28.6 | 44% | 0.438 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -36.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S625 P626 E631 F632 | S625-A629 PolarHBondContact O-N 2.87Å; P626-A629 VanDerWaalsContact O-CB 3.26Å; P626-A629 WeakPolarHBondContact O-CB 3.35Å; P626-A629 PolarHBondContact O-N 3.18Å; A629-E631 VanDerWaalsContact C-N 3.31Å; A629-F632 WeakPolarHBondContact O-CB 3.19Å; A629-F632 PolarHBondContact O-N 3.43Å |
| 630 | H | 94.7 | Very high | 97 | Very high | 122 Ų | 122 | 28.8 Ų | 28.8 | 57% | 0.565 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -22.3 | 178.1 | 60.3 | -77.2 | 0 | 0 | 0 | 113.4 | Y591 N627 M628 | Y591-H630 AromaticContact CZ-NE2 3.69Å; Y591-H630 PolarHBondContact OH-CE1 3.49Å; Y591-H630 PolarHBondContact OH-NE2 3.15Å; N627-H630 PolarHBondContact O-CE1 3.29Å; N627-H630 PolarHBondContact O-ND1 3.01Å; M628-H630 VanDerWaalsContact C-N 3.28Å; M628-H630 PolarHBondContact O-N 3.25Å |
| 631 | E | 96.3 | Very high | 97 | Very high | 24 Ų | 24 | 28.9 Ų | 28.9 | 11% | 0.112 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -10.8 | 178.7 | -60.8 | -64 | 133 | 0 | 0 | 112.1 | Y591 M628 A629 T633 R634 Y636 V637 | Y591-E631 HydrophobicContact CE2-CG 3.98Å; Y591-E631 VanDerWaalsContact OH-CG 3.25Å; Y591-E631 WeakPolarHBondContact OH-CG 3.38Å; M628-E631 HydrophobicContact CE-CB 3.98Å; M628-E631 HydrophobicContact CE-CG 4.41Å; M628-E631 CarbonylContact O-C 3.48Å; M628-E631 PolarHBondContact O-N 3.43Å; A629-E631 VanDerWaalsContact C-N 3.31Å; E631-T633 PolarHBondContact O-N 3.4Å; E631-R634 VanDerWaalsContact O-CB 3.31Å; E631-R634 WeakPolarHBondContact O-CB 3.45Å; E631-R634 PolarHBondContact O-N 2.94Å; E631-R634 IonicContact OE1-NH1 3.53Å; E631-R634 WeakPolarHBondContact OE2-CD 3.48Å; E631-R634 IonicContact OE2-CZ 2.67Å; E631-R634 IonicContact OE2-NE 3.88Å; E631-R634 IonicContact OE2-NH1 3.06Å; E631-R634 PolarHBondContact OE2-NH1 3.43Å; E631-Y636 HydrophobicContact CB-CE1 4.4Å; E631-Y636 WeakPolarHBondContact CB-OH 3.33Å; E631-Y636 WeakPolarHBondContact CG-OH 3.47Å; E631-Y636 WeakPolarHBondContact OE2-CE1 3.35Å; E631-Y636 PolarHBondContact OE2-OH 3.28Å; E631-V637 HydrophobicContact CB-CG2 4.26Å; E631-V637 WeakPolarHBondContact O-CG2 3.33Å |
| 632 | F | 97.4 | Very high | 97 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -35.2 | -167.5 | -177.8 | -104.9 | 0 | 0 | 0 | 114.2 | F624 M628 A629 R634 W638 F723 M726 W745 C749 | F624-F632 AromaticContact CD1-CE2 3.66Å; F624-F632 HydrophobicContact CD1-CE2 3.66Å; F624-F632 HydrophobicContact CD1-CZ 4.25Å; F624-F632 AromaticContact CE1-CE2 3.72Å; F624-F632 HydrophobicContact CE1-CE2 3.72Å; F624-F632 HydrophobicContact CE1-CZ 4.03Å; M628-F632 PolarHBondContact O-N 3.16Å; A629-F632 WeakPolarHBondContact O-CB 3.19Å; A629-F632 PolarHBondContact O-N 3.43Å; F632-R634 VanDerWaalsContact C-N 3.34Å; F632-W638 HydrophobicContact CD1-CZ2 4.23Å; F632-W638 HydrophobicContact CD2-CH2 4.4Å; F632-W638 HydrophobicContact CD2-CZ2 4.08Å; F632-W638 HydrophobicContact CE1-CH2 4.19Å; F632-W638 AromaticContact CE1-CZ2 3.8Å; F632-W638 HydrophobicContact CE1-CZ2 3.8Å; F632-W638 AromaticContact CE2-CH2 3.55Å; F632-W638 HydrophobicContact CE2-CH2 3.55Å; F632-W638 AromaticContact CE2-CZ2 3.62Å; F632-W638 HydrophobicContact CE2-CZ2 3.62Å; F632-W638 HydrophobicContact CG-CZ2 4.37Å; F632-W638 AromaticContact CZ-CH2 3.44Å; F632-W638 HydrophobicContact CZ-CH2 3.44Å; F632-W638 VanDerWaalsContact CZ-CH2 3.44Å; F632-W638 AromaticContact CZ-CZ2 3.48Å; F632-W638 HydrophobicContact CZ-CZ2 3.48Å; F632-W638 VanDerWaalsContact CZ-CZ2 3.48Å; F632-W638 WeakPolarHBondContact O-CZ2 3.31Å; F632-W638 PolarHBondContact O-NE1 3.29Å; F632-F723 HydrophobicContact CZ-CE1 4.49Å; F632-M726 HydrophobicContact CE2-CE 4.38Å; F632-M726 HydrophobicContact CE2-SD 4.23Å; F632-M726 HydrophobicContact CZ-CE 4.36Å; F632-M726 HydrophobicContact CZ-SD 4.25Å; F632-W745 AromaticContact CD1-NE1 3.64Å; F632-W745 HydrophobicContact CE1-CZ2 4.42Å; F632-C749 HydrophobicContact CE1-CB 4.09Å |
| 633 | T | 97.5 | Very high | 97 | Very high | 20 Ų | 20 | 28.6 Ų | 28.6 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.7 | -179.5 | 69.8 | 0 | 0 | 0 | 0 | 113.1 | K447 E631 N748 | K447-T633 WeakPolarHBondContact CE-O 3.46Å; K447-T633 PolarHBondContact NZ-O 2.97Å; K447-T633 PolarHBondContact NZ-OG1 2.99Å; E631-T633 PolarHBondContact O-N 3.4Å; T633-N748 HydrophobicContact CG2-CB 4.28Å |
| 634 | R | 97.4 | Very high | 97.1 | Very high | 38 Ų | 38 | 28.5 Ų | 28.5 | 14% | 0.143 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -75.9 | 150.5 | -176.8 | -68.5 | -179.5 | 71 | -174.3 | 2.1 | 112.3 | E451 E454 E631 F632 Y636 V637 W638 | E451-R634 VanDerWaalsContact OE1-CA 3.25Å; E451-R634 WeakPolarHBondContact OE1-CA 3.43Å; E451-R634 WeakPolarHBondContact OE1-CB 3.39Å; E454-R634 IonicContact OE1-NH2 3.46Å; E454-R634 IonicContact OE2-CZ 2.64Å; E454-R634 IonicContact OE2-NE 2.6Å; E454-R634 IonicContact OE2-NH2 3.66Å; E454-R634 PolarHBondContact OE2-NH2 3.36Å; E631-R634 VanDerWaalsContact O-CB 3.31Å; E631-R634 WeakPolarHBondContact O-CB 3.45Å; E631-R634 PolarHBondContact O-N 2.94Å; E631-R634 IonicContact OE1-NH1 3.53Å; E631-R634 WeakPolarHBondContact OE2-CD 3.48Å; E631-R634 IonicContact OE2-CZ 2.67Å; E631-R634 IonicContact OE2-NE 3.88Å; E631-R634 IonicContact OE2-NH1 3.06Å; E631-R634 PolarHBondContact OE2-NH1 3.43Å; F632-R634 VanDerWaalsContact C-N 3.34Å; R634-Y636 HydrophobicContact CB-CD1 3.85Å; R634-Y636 HydrophobicContact CB-CE1 3.9Å; R634-Y636 PolarHBondContact O-N 3.2Å; R634-V637 PolarHBondContact O-N 3.44Å; R634-W638 VanDerWaalsContact O-CD1 3.26Å |
| 635 | F | 96.6 | Very high | 97.1 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.3 | -42.2 | -170.6 | -177.9 | -123.1 | 0 | 0 | 0 | 113.1 | D411 L414 N415 E451 K455 V637 W638 E639 | D411-F635 HydrophobicContact CB-CD2 4.14Å; D411-F635 HydrophobicContact CB-CE2 3.48Å; D411-F635 VanDerWaalsContact CB-CE2 3.48Å; D411-F635 HydrophobicContact CB-CZ 4.17Å; D411-F635 WeakPolarHBondContact OD1-CD2 3.35Å; D411-F635 WeakPolarHBondContact OD1-CE2 3.29Å; D411-F635 WeakPolarHBondContact OD2-CE2 3.49Å; L414-F635 HydrophobicContact CD2-CB 4Å; L414-F635 HydrophobicContact CD2-CD1 3.59Å; L414-F635 HydrophobicContact CD2-CD2 4.18Å; L414-F635 HydrophobicContact CD2-CE1 4.1Å; L414-F635 HydrophobicContact CD2-CG 3.63Å; N415-F635 WeakPolarHBondContact ND2-CZ 3.42Å; E451-F635 HydrophobicContact CG-CB 4.47Å; E451-F635 PolarHBondContact OE1-N 2.91Å; E451-F635 WeakPolarHBondContact OE2-CB 3.42Å; K455-F635 VanDerWaalsContact CE-CD1 3.42Å; F635-V637 VanDerWaalsContact C-N 3.26Å; F635-V637 PolarHBondContact O-N 3.32Å; F635-W638 PolarHBondContact O-N 3.09Å; F635-W638 VanDerWaalsContact O-N 3.11Å; F635-E639 HydrophobicContact CD1-CG 3.8Å; F635-E639 HydrophobicContact CD2-CG 4.45Å; F635-E639 HydrophobicContact CE1-CG 3.45Å; F635-E639 VanDerWaalsContact CE1-CG 3.45Å; F635-E639 WeakPolarHBondContact CE1-OE1 3.32Å; F635-E639 HydrophobicContact CE2-CG 4.08Å; F635-E639 HydrophobicContact CG-CG 4.3Å; F635-E639 HydrophobicContact CZ-CG 3.58Å; F635-E639 PolarHBondContact O-N 2.98Å; F635-E639 VanDerWaalsContact O-N 3.08Å |
| 636 | Y | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -27.7 | -173.9 | 83.3 | -87.2 | 0 | 0 | 0 | 114.2 | P598 I601 E631 R634 W638 E639 I640 | P598-Y636 HydrophobicContact CB-CD1 3.9Å; P598-Y636 HydrophobicContact CB-CD2 3.89Å; P598-Y636 HydrophobicContact CB-CE1 4.39Å; P598-Y636 HydrophobicContact CB-CE2 4.39Å; P598-Y636 HydrophobicContact CB-CG 3.62Å; P598-Y636 HydrophobicContact CG-CD1 4.18Å; P598-Y636 HydrophobicContact CG-CE1 4.35Å; P598-Y636 HydrophobicContact CG-CG 4.4Å; I601-Y636 HydrophobicContact CD1-CE2 4.42Å; E631-Y636 HydrophobicContact CB-CE1 4.4Å; E631-Y636 WeakPolarHBondContact CB-OH 3.33Å; E631-Y636 WeakPolarHBondContact CG-OH 3.47Å; E631-Y636 WeakPolarHBondContact OE2-CE1 3.35Å; E631-Y636 PolarHBondContact OE2-OH 3.28Å; R634-Y636 HydrophobicContact CB-CD1 3.85Å; R634-Y636 HydrophobicContact CB-CE1 3.9Å; R634-Y636 PolarHBondContact O-N 3.2Å; Y636-W638 VanDerWaalsContact C-N 3.31Å; Y636-W638 PolarHBondContact O-N 3.25Å; Y636-E639 WeakPolarHBondContact O-CB 3.45Å; Y636-E639 PolarHBondContact O-N 2.62Å; Y636-I640 HydrophobicContact CD2-CD1 3.86Å; Y636-I640 HydrophobicContact CE2-CD1 4.24Å; Y636-I640 VanDerWaalsContact O-CG1 3.29Å; Y636-I640 WeakPolarHBondContact O-CG1 3.46Å; Y636-I640 PolarHBondContact O-N 3.3Å |
| 637 | V | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 175.5 | 164 | 0 | 0 | 0 | 0 | 109.8 | L623 M628 E631 R634 F635 I640 L641 | L623-V637 HydrophobicContact CB-CG1 4.46Å; L623-V637 HydrophobicContact CD2-CG1 4.15Å; M628-V637 HydrophobicContact CE-CG2 4.07Å; E631-V637 HydrophobicContact CB-CG2 4.26Å; E631-V637 WeakPolarHBondContact O-CG2 3.33Å; R634-V637 PolarHBondContact O-N 3.44Å; F635-V637 VanDerWaalsContact C-N 3.26Å; F635-V637 PolarHBondContact O-N 3.32Å; V637-I640 PolarHBondContact O-N 3.13Å; V637-L641 PolarHBondContact O-N 3.02Å |
| 638 | W | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -75.6 | -32.8 | -179.9 | -53.7 | 102.2 | 0 | 0 | 0 | 111.9 | F624 F632 R634 F635 Y636 I640 L641 H642 F723 R752 | F624-W638 HydrophobicContact CE1-CH2 4.35Å; F624-W638 HydrophobicContact CZ-CH2 4.49Å; F624-W638 HydrophobicContact CZ-CZ3 4.4Å; F632-W638 HydrophobicContact CD1-CZ2 4.23Å; F632-W638 HydrophobicContact CD2-CH2 4.4Å; F632-W638 HydrophobicContact CD2-CZ2 4.08Å; F632-W638 HydrophobicContact CE1-CH2 4.19Å; F632-W638 AromaticContact CE1-CZ2 3.8Å; F632-W638 HydrophobicContact CE1-CZ2 3.8Å; F632-W638 AromaticContact CE2-CH2 3.55Å; F632-W638 HydrophobicContact CE2-CH2 3.55Å; F632-W638 AromaticContact CE2-CZ2 3.62Å; F632-W638 HydrophobicContact CE2-CZ2 3.62Å; F632-W638 HydrophobicContact CG-CZ2 4.37Å; F632-W638 AromaticContact CZ-CH2 3.44Å; F632-W638 HydrophobicContact CZ-CH2 3.44Å; F632-W638 VanDerWaalsContact CZ-CH2 3.44Å; F632-W638 AromaticContact CZ-CZ2 3.48Å; F632-W638 HydrophobicContact CZ-CZ2 3.48Å; F632-W638 VanDerWaalsContact CZ-CZ2 3.48Å; F632-W638 WeakPolarHBondContact O-CZ2 3.31Å; F632-W638 PolarHBondContact O-NE1 3.29Å; R634-W638 VanDerWaalsContact O-CD1 3.26Å; F635-W638 PolarHBondContact O-N 3.09Å; F635-W638 VanDerWaalsContact O-N 3.11Å; Y636-W638 VanDerWaalsContact C-N 3.31Å; Y636-W638 PolarHBondContact O-N 3.25Å; W638-I640 VanDerWaalsContact C-N 3.27Å; W638-I640 PolarHBondContact O-N 2.66Å; W638-L641 HydrophobicContact CE3-CD2 3.79Å; W638-L641 HydrophobicContact CZ3-CD2 3.68Å; W638-L641 PolarHBondContact O-N 3.06Å; W638-H642 WeakPolarHBondContact O-CB 3.35Å; W638-H642 PolarHBondContact O-CD2 3.12Å; W638-H642 PolarHBondContact O-N 2.97Å; W638-F723 AromaticContact CH2-CE1 3.8Å; W638-F723 HydrophobicContact CH2-CE1 3.8Å; W638-F723 AromaticContact CH2-CZ 3.56Å; W638-F723 HydrophobicContact CH2-CZ 3.56Å; W638-F723 HydrophobicContact CZ3-CE1 4.19Å; W638-F723 HydrophobicContact CZ3-CE2 4.3Å; W638-F723 AromaticContact CZ3-CZ 3.46Å; W638-F723 HydrophobicContact CZ3-CZ 3.46Å; W638-F723 VanDerWaalsContact CZ3-CZ 3.46Å; W638-R752 HydrophobicContact CD2-CB 4.18Å; W638-R752 HydrophobicContact CD2-CG 3.74Å; W638-R752 VanDerWaalsContact CE2-CG 3.47Å; W638-R752 HydrophobicContact CE3-CB 4.02Å; W638-R752 HydrophobicContact CE3-CG 4.1Å; W638-R752 HydrophobicContact CG-CG 4.32Å; W638-R752 VanDerWaalsContact CG-CZ 3.44Å; W638-R752 VanDerWaalsContact CG-NE 3.32Å; W638-R752 HydrophobicContact CH2-CB 3.65Å; W638-R752 HydrophobicContact CH2-CG 3.99Å; W638-R752 HydrophobicContact CZ2-CB 3.82Å; W638-R752 HydrophobicContact CZ2-CG 3.61Å; W638-R752 HydrophobicContact CZ3-CB 3.77Å; W638-R752 HydrophobicContact CZ3-CG 4.24Å |
| 639 | E | 98.3 | Very high | 97.6 | Very high | 49 Ų | 49 | 25.3 Ų | 25.3 | 23% | 0.229 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.3 | -43.5 | 169.2 | -63.5 | -166.7 | 111.3 | 0 | 0 | 111.6 | K455 R458 F635 Y636 S643 | K455-E639 VanDerWaalsContact NZ-CD 3.26Å; K455-E639 IonicContact NZ-OE1 3.56Å; K455-E639 PolarHBondContact NZ-OE1 3.27Å; K455-E639 IonicContact NZ-OE2 2.7Å; K455-E639 PolarHBondContact NZ-OE2 3.34Å; R458-E639 IonicContact CZ-OE2 3.74Å; R458-E639 IonicContact NH1-OE2 3.73Å; R458-E639 PolarHBondContact NH1-OE2 3.28Å; R458-E639 IonicContact NH2-OE2 2.78Å; F635-E639 HydrophobicContact CD1-CG 3.8Å; F635-E639 HydrophobicContact CD2-CG 4.45Å; F635-E639 HydrophobicContact CE1-CG 3.45Å; F635-E639 VanDerWaalsContact CE1-CG 3.45Å; F635-E639 WeakPolarHBondContact CE1-OE1 3.32Å; F635-E639 HydrophobicContact CE2-CG 4.08Å; F635-E639 HydrophobicContact CG-CG 4.3Å; F635-E639 HydrophobicContact CZ-CG 3.58Å; F635-E639 PolarHBondContact O-N 2.98Å; F635-E639 VanDerWaalsContact O-N 3.08Å; Y636-E639 WeakPolarHBondContact O-CB 3.45Å; Y636-E639 PolarHBondContact O-N 2.62Å; E639-S643 WeakPolarHBondContact O-CB 2.88Å; E639-S643 PolarHBondContact O-N 3.29Å |
| 640 | I | 98.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.1 | -51.8 | 176.8 | -66.4 | 168.2 | 0 | 0 | 0 | 110 | I601 V605 V619 W622 L623 Y636 V637 W638 H642 S643 T644 | I601-I640 HydrophobicContact CG2-CD1 3.88Å; V605-I640 HydrophobicContact CB-CG2 4.3Å; V605-I640 HydrophobicContact CG1-CG2 3.72Å; V619-I640 HydrophobicContact CG1-CG2 3.93Å; W622-I640 HydrophobicContact CH2-CD1 4.37Å; W622-I640 HydrophobicContact CZ3-CD1 4.4Å; W622-I640 HydrophobicContact CZ3-CG2 4.4Å; L623-I640 HydrophobicContact CD1-CB 4.34Å; L623-I640 HydrophobicContact CD1-CG2 4.06Å; L623-I640 HydrophobicContact CD2-CG2 4.37Å; Y636-I640 HydrophobicContact CD2-CD1 3.86Å; Y636-I640 HydrophobicContact CE2-CD1 4.24Å; Y636-I640 VanDerWaalsContact O-CG1 3.29Å; Y636-I640 WeakPolarHBondContact O-CG1 3.46Å; Y636-I640 PolarHBondContact O-N 3.3Å; V637-I640 PolarHBondContact O-N 3.13Å; W638-I640 VanDerWaalsContact C-N 3.27Å; W638-I640 PolarHBondContact O-N 2.66Å; I640-H642 PolarHBondContact O-N 3.47Å; I640-S643 WeakPolarHBondContact O-CB 3.36Å; I640-S643 PolarHBondContact O-N 2.9Å; I640-S643 VanDerWaalsContact O-N 3.14Å; I640-T644 PolarHBondContact O-N 3.38Å; I640-T644 PolarHBondContact O-OG1 3.12Å; I640-T644 VanDerWaalsContact O-OG1 3.06Å |
| 641 | L | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.5 | -51.6 | -178.7 | -174.3 | 60.6 | 0 | 0 | 0 | 111.8 | A620 L623 F624 V637 W638 S643 T644 I645 I719 I756 | A620-L641 HydrophobicContact CB-CD1 4.39Å; L623-L641 HydrophobicContact CD1-CB 3.67Å; L623-L641 HydrophobicContact CD1-CD1 4.1Å; L623-L641 HydrophobicContact CD1-CG 4.43Å; F624-L641 HydrophobicContact CE2-CD2 4.4Å; F624-L641 HydrophobicContact CZ-CD2 4.4Å; V637-L641 PolarHBondContact O-N 3.02Å; W638-L641 HydrophobicContact CE3-CD2 3.79Å; W638-L641 HydrophobicContact CZ3-CD2 3.68Å; W638-L641 PolarHBondContact O-N 3.06Å; L641-S643 VanDerWaalsContact C-N 3.31Å; L641-S643 PolarHBondContact O-N 2.86Å; L641-T644 WeakPolarHBondContact O-CB 3.22Å; L641-T644 PolarHBondContact O-N 2.91Å; L641-T644 VanDerWaalsContact O-N 3.13Å; L641-I645 HydrophobicContact CG-CD1 4.18Å; L641-I645 WeakPolarHBondContact O-CG1 3.19Å; L641-I645 PolarHBondContact O-N 2.65Å; L641-I719 HydrophobicContact CD1-CD1 3.9Å; L641-I719 HydrophobicContact CD1-CG1 4.15Å; L641-I756 HydrophobicContact CD2-CD1 4Å |
| 642 | H | 98.5 | Very high | 97.7 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 3% | 0.032 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67 | -31.8 | 179.2 | -72.5 | -76.7 | 0 | 0 | 0 | 112.3 | W638 I640 T644 R646 Q755 M759 H760 | W638-H642 WeakPolarHBondContact O-CB 3.35Å; W638-H642 PolarHBondContact O-CD2 3.12Å; W638-H642 PolarHBondContact O-N 2.97Å; I640-H642 PolarHBondContact O-N 3.47Å; H642-T644 VanDerWaalsContact C-N 3.33Å; H642-R646 WeakPolarHBondContact O-CB 3.27Å; H642-R646 VanDerWaalsContact O-CG 3.29Å; H642-R646 WeakPolarHBondContact O-CG 3.43Å; H642-R646 PolarHBondContact O-N 3.3Å; H642-Q755 PolarHBondContact NE2-OE1 2.98Å; H642-M759 PolarHBondContact CE1-SD 3.43Å; H642-M759 PolarHBondContact ND1-SD 2.73Å; H642-M759 VanDerWaalsContact ND1-SD 3.39Å; H642-H760 AromaticContact ND1-NE2 3.27Å; H642-H760 PolarHBondContact ND1-NE2 3.09Å |
| 643 | S | 98.4 | Very high | 97.5 | Very high | 32 Ų | 32 | 32.2 Ų | 32.2 | 22% | 0.224 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.8 | -36.5 | 172.3 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | E639 I640 L641 K647 | E639-S643 WeakPolarHBondContact O-CB 2.88Å; E639-S643 PolarHBondContact O-N 3.29Å; I640-S643 WeakPolarHBondContact O-CB 3.36Å; I640-S643 PolarHBondContact O-N 2.9Å; I640-S643 VanDerWaalsContact O-N 3.14Å; L641-S643 VanDerWaalsContact C-N 3.31Å; L641-S643 PolarHBondContact O-N 2.86Å; S643-K647 VanDerWaalsContact C-NZ 3.35Å; S643-K647 WeakPolarHBondContact O-CG 3.39Å; S643-K647 PolarHBondContact O-N 3.47Å; S643-K647 VanDerWaalsContact O-N 3.16Å; S643-K647 PolarHBondContact O-NZ 3Å; S643-K647 PolarHBondContact OG-NZ 3.45Å |
| 644 | T | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66 | -50.7 | 174.6 | -62.8 | 0 | 0 | 0 | 0 | 110.9 | I609 C616 V619 I640 L641 H642 R646 K647 M648 | I609-T644 HydrophobicContact CD1-CG2 3.94Å; I609-T644 WeakPolarHBondContact CD1-OG1 3.46Å; C616-T644 HydrophobicContact CB-CG2 3.55Å; V619-T644 HydrophobicContact CB-CG2 4.33Å; V619-T644 HydrophobicContact CG1-CG2 4.33Å; I640-T644 PolarHBondContact O-N 3.38Å; I640-T644 PolarHBondContact O-OG1 3.12Å; I640-T644 VanDerWaalsContact O-OG1 3.06Å; L641-T644 WeakPolarHBondContact O-CB 3.22Å; L641-T644 PolarHBondContact O-N 2.91Å; L641-T644 VanDerWaalsContact O-N 3.13Å; H642-T644 VanDerWaalsContact C-N 3.33Å; T644-R646 VanDerWaalsContact C-N 3.34Å; T644-R646 PolarHBondContact O-N 2.91Å; T644-K647 WeakPolarHBondContact O-CB 3.32Å; T644-K647 PolarHBondContact O-N 2.87Å; T644-K647 VanDerWaalsContact O-N 3.08Å; T644-M648 PolarHBondContact O-N 3.26Å |
| 645 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 177.5 | -59.3 | 163.8 | 0 | 0 | 0 | 111 | L641 K647 M648 N649 L715 F716 I719 I756 H760 | L641-I645 HydrophobicContact CG-CD1 4.18Å; L641-I645 WeakPolarHBondContact O-CG1 3.19Å; L641-I645 PolarHBondContact O-N 2.65Å; I645-K647 VanDerWaalsContact C-N 3.27Å; I645-K647 PolarHBondContact O-N 3.32Å; I645-M648 WeakPolarHBondContact O-CB 3.07Å; I645-M648 PolarHBondContact O-N 2.96Å; I645-M648 VanDerWaalsContact O-N 3.11Å; I645-N649 VanDerWaalsContact O-CG 3.3Å; I645-N649 PolarHBondContact O-N 3.12Å; I645-N649 PolarHBondContact O-OD1 3.23Å; I645-L715 HydrophobicContact CG1-CD2 4.24Å; I645-F716 HydrophobicContact CG2-CE1 4.05Å; I645-F716 HydrophobicContact CG2-CE2 4.2Å; I645-F716 HydrophobicContact CG2-CZ 3.5Å; I645-I719 HydrophobicContact CD1-CD1 3.77Å; I645-I719 HydrophobicContact CG1-CD1 3.88Å; I645-I756 HydrophobicContact CD1-CD1 3.95Å; I645-H760 WeakPolarHBondContact CG2-CE1 3.34Å; I645-H760 WeakPolarHBondContact CG2-NE2 3.38Å |
| 646 | R | 98.1 | Very high | 97.3 | Very high | 110 Ų | 110 | 38.4 Ų | 38.4 | 42% | 0.415 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.1 | -35.7 | 177 | -77.5 | -172.2 | -59.5 | -96.2 | 0.4 | 112.9 | H642 T644 K650 | H642-R646 WeakPolarHBondContact O-CB 3.27Å; H642-R646 VanDerWaalsContact O-CG 3.29Å; H642-R646 WeakPolarHBondContact O-CG 3.43Å; H642-R646 PolarHBondContact O-N 3.3Å; T644-R646 VanDerWaalsContact C-N 3.34Å; T644-R646 PolarHBondContact O-N 2.91Å; R646-K650 WeakPolarHBondContact O-CB 3.09Å; R646-K650 VanDerWaalsContact O-CG 3.31Å; R646-K650 WeakPolarHBondContact O-CG 3.36Å; R646-K650 PolarHBondContact O-N 3.2Å |
| 647 | K | 97 | Very high | 97.2 | Very high | 25 Ų | 25 | 44 Ų | 44 | 11% | 0.109 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.9 | -43.6 | 175.3 | -80.2 | -175.5 | -73.4 | -70.7 | 0 | 110.8 | D606 I609 R610 S643 T644 I645 K650 H651 | D606-K647 WeakPolarHBondContact OD1-CD 3.43Å; D606-K647 VanDerWaalsContact OD1-CE 3.3Å; D606-K647 WeakPolarHBondContact OD1-CE 3.42Å; D606-K647 IonicContact OD1-NZ 3.34Å; D606-K647 PolarHBondContact OD1-NZ 3.32Å; I609-K647 HydrophobicContact CG2-CD 4.18Å; R610-K647 HydrophobicContact CG-CD 4.21Å; S643-K647 VanDerWaalsContact C-NZ 3.35Å; S643-K647 WeakPolarHBondContact O-CG 3.39Å; S643-K647 PolarHBondContact O-N 3.47Å; S643-K647 VanDerWaalsContact O-N 3.16Å; S643-K647 PolarHBondContact O-NZ 3Å; S643-K647 PolarHBondContact OG-NZ 3.45Å; T644-K647 WeakPolarHBondContact O-CB 3.32Å; T644-K647 PolarHBondContact O-N 2.87Å; T644-K647 VanDerWaalsContact O-N 3.08Å; I645-K647 VanDerWaalsContact C-N 3.27Å; I645-K647 PolarHBondContact O-N 3.32Å; K647-K650 PolarHBondContact O-N 3.28Å; K647-H651 WeakPolarHBondContact O-CB 3.4Å; K647-H651 PolarHBondContact O-N 2.85Å |
| 648 | M | 97.7 | Very high | 97 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.039 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 175.4 | -165.9 | 63.3 | -125.1 | 0 | 0 | 111.6 | T644 I645 K650 H651 V652 A708 E711 Q712 L715 | T644-M648 PolarHBondContact O-N 3.26Å; I645-M648 WeakPolarHBondContact O-CB 3.07Å; I645-M648 PolarHBondContact O-N 2.96Å; I645-M648 VanDerWaalsContact O-N 3.11Å; M648-K650 VanDerWaalsContact C-N 3.34Å; M648-K650 PolarHBondContact O-N 2.98Å; M648-H651 HydrophobicContact CE-CB 4.43Å; M648-H651 WeakPolarHBondContact O-CB 3.21Å; M648-H651 PolarHBondContact O-N 3.01Å; M648-H651 VanDerWaalsContact O-N 3.09Å; M648-V652 HydrophobicContact CE-CG2 3.9Å; M648-V652 PolarHBondContact O-N 3.1Å; M648-V652 VanDerWaalsContact O-N 3.09Å; M648-A708 VanDerWaalsContact CE-O 3.31Å; M648-A708 WeakPolarHBondContact CE-O 3.37Å; M648-E711 HydrophobicContact CE-CB 3.81Å; M648-E711 HydrophobicContact SD-CB 4.27Å; M648-Q712 HydrophobicContact CE-CB 4.21Å; M648-Q712 HydrophobicContact CG-CB 3.91Å; M648-Q712 HydrophobicContact CG-CG 4.22Å; M648-L715 HydrophobicContact CB-CD2 3.76Å; M648-L715 HydrophobicContact CG-CD2 3.89Å |
| 649 | N | 96.5 | Very high | 96.9 | Very high | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.08 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 177.6 | -63.9 | -3.3 | 0 | 0 | 0 | 112 | I645 H651 V652 Q653 Q712 H760 | I645-N649 VanDerWaalsContact O-CG 3.3Å; I645-N649 PolarHBondContact O-N 3.12Å; I645-N649 PolarHBondContact O-OD1 3.23Å; N649-H651 VanDerWaalsContact C-N 3.3Å; N649-H651 PolarHBondContact O-N 3.36Å; N649-V652 PolarHBondContact O-N 2.91Å; N649-Q653 WeakPolarHBondContact O-CB 3.4Å; N649-Q653 VanDerWaalsContact O-CG 3.27Å; N649-Q653 WeakPolarHBondContact O-CG 3.29Å; N649-Q653 PolarHBondContact O-N 3.07Å; N649-Q712 PolarHBondContact OD1-NE2 2.93Å; N649-H760 PolarHBondContact ND2-ND1 3.22Å |
| 650 | K | 96.1 | Very high | 96.7 | Very high | 144 Ų | 144 | 51.6 Ų | 51.6 | 63% | 0.626 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66.4 | -31.9 | 176.2 | -76.9 | -177.8 | 178.2 | -173.9 | 0 | 112.8 | R646 K647 M648 K654 | R646-K650 WeakPolarHBondContact O-CB 3.09Å; R646-K650 VanDerWaalsContact O-CG 3.31Å; R646-K650 WeakPolarHBondContact O-CG 3.36Å; R646-K650 PolarHBondContact O-N 3.2Å; K647-K650 PolarHBondContact O-N 3.28Å; M648-K650 VanDerWaalsContact C-N 3.34Å; M648-K650 PolarHBondContact O-N 2.98Å; K650-K654 VanDerWaalsContact O-CB 3.25Å; K650-K654 WeakPolarHBondContact O-CB 3.39Å; K650-K654 PolarHBondContact O-N 3.26Å |
| 651 | H | 95.3 | Very high | 96.5 | Very high | 84 Ų | 84 | 55.2 Ų | 55.2 | 39% | 0.389 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.3 | -50.1 | 175.8 | -178.3 | 57.3 | 0 | 0 | 0 | 110.6 | K647 M648 N649 K654 I655 | K647-H651 WeakPolarHBondContact O-CB 3.4Å; K647-H651 PolarHBondContact O-N 2.85Å; M648-H651 HydrophobicContact CE-CB 4.43Å; M648-H651 WeakPolarHBondContact O-CB 3.21Å; M648-H651 PolarHBondContact O-N 3.01Å; M648-H651 VanDerWaalsContact O-N 3.09Å; N649-H651 VanDerWaalsContact C-N 3.3Å; N649-H651 PolarHBondContact O-N 3.36Å; H651-K654 PolarHBondContact O-N 3.49Å; H651-I655 VanDerWaalsContact CE1-CD1 3.41Å; H651-I655 WeakPolarHBondContact CE1-CD1 3.5Å; H651-I655 WeakPolarHBondContact NE2-CD1 3.22Å; H651-I655 WeakPolarHBondContact O-CG1 3.41Å; H651-I655 PolarHBondContact O-N 3.36Å; H651-I655 VanDerWaalsContact O-N 3.14Å |
| 652 | V | 96.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -51.4 | 175.4 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | M648 N649 K654 I655 Q656 A708 Q709 Q712 | M648-V652 HydrophobicContact CE-CG2 3.9Å; M648-V652 PolarHBondContact O-N 3.1Å; M648-V652 VanDerWaalsContact O-N 3.09Å; N649-V652 PolarHBondContact O-N 2.91Å; V652-K654 VanDerWaalsContact C-N 3.26Å; V652-K654 PolarHBondContact O-N 3.42Å; V652-I655 PolarHBondContact O-N 3.29Å; V652-Q656 HydrophobicContact CG1-CG 4.2Å; V652-Q656 WeakPolarHBondContact O-CB 3.41Å; V652-Q656 WeakPolarHBondContact O-CG 3.44Å; V652-Q656 PolarHBondContact O-N 3.36Å; V652-A708 HydrophobicContact CG2-CB 4.01Å; V652-A708 WeakPolarHBondContact CG2-O 3.41Å; V652-Q709 HydrophobicContact CG1-CG 3.83Å; V652-Q712 HydrophobicContact CG2-CB 3.87Å; V652-Q712 HydrophobicContact CG2-CG 4.4Å |
| 653 | Q | 95 | Very high | 96 | Very high | 117 Ų | 117 | 59 Ų | 59 | 55% | 0.547 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.5 | -37.5 | 179.2 | -73.8 | 172.5 | -2.6 | 0 | 0 | 112.8 | N649 K657 | N649-Q653 WeakPolarHBondContact O-CB 3.4Å; N649-Q653 VanDerWaalsContact O-CG 3.27Å; N649-Q653 WeakPolarHBondContact O-CG 3.29Å; N649-Q653 PolarHBondContact O-N 3.07Å; Q653-K657 WeakPolarHBondContact O-CB 3.41Å; Q653-K657 PolarHBondContact O-N 2.94Å |
| 654 | K | 95.9 | Very high | 95.7 | Very high | 131 Ų | 131 | 60.7 Ų | 60.7 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.9 | -47.9 | 178.3 | -175.2 | -173.4 | 177.5 | -152 | 0 | 111 | K650 H651 V652 K657 E658 | K650-K654 VanDerWaalsContact O-CB 3.25Å; K650-K654 WeakPolarHBondContact O-CB 3.39Å; K650-K654 PolarHBondContact O-N 3.26Å; H651-K654 PolarHBondContact O-N 3.49Å; V652-K654 VanDerWaalsContact C-N 3.26Å; V652-K654 PolarHBondContact O-N 3.42Å; K654-K657 PolarHBondContact O-N 2.92Å; K654-E658 WeakPolarHBondContact CE-OE1 3.42Å; K654-E658 IonicContact NZ-OE1 2.81Å; K654-E658 WeakPolarHBondContact O-CG 3.41Å; K654-E658 PolarHBondContact O-N 3.04Å |
| 655 | I | 95.2 | Very high | 95.4 | Very high | 15 Ų | 15 | 66.2 Ų | 66.2 | 8% | 0.077 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.6 | -40 | -179.2 | -56.6 | 169.3 | 0 | 0 | 0 | 110.4 | H651 V652 K657 E658 L659 K704 V705 A708 | H651-I655 VanDerWaalsContact CE1-CD1 3.41Å; H651-I655 WeakPolarHBondContact CE1-CD1 3.5Å; H651-I655 WeakPolarHBondContact NE2-CD1 3.22Å; H651-I655 WeakPolarHBondContact O-CG1 3.41Å; H651-I655 PolarHBondContact O-N 3.36Å; H651-I655 VanDerWaalsContact O-N 3.14Å; V652-I655 PolarHBondContact O-N 3.29Å; I655-K657 VanDerWaalsContact C-N 3.32Å; I655-K657 PolarHBondContact O-N 2.95Å; I655-E658 PolarHBondContact O-N 3.46Å; I655-L659 PolarHBondContact O-N 2.88Å; I655-K704 HydrophobicContact CG2-CB 3.9Å; I655-V705 HydrophobicContact CB-CG2 4.2Å; I655-V705 HydrophobicContact CG2-CG2 3.54Å; I655-A708 HydrophobicContact CD1-CB 3.79Å |
| 656 | Q | 95.1 | Very high | 95 | Very high | 56 Ų | 56 | 67.2 Ų | 67.2 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.8 | -44.7 | 173.5 | -75.1 | 175.6 | -30.1 | 0 | 0 | 111.8 | V652 E658 L659 E660 V705 | V652-Q656 HydrophobicContact CG1-CG 4.2Å; V652-Q656 WeakPolarHBondContact O-CB 3.41Å; V652-Q656 WeakPolarHBondContact O-CG 3.44Å; V652-Q656 PolarHBondContact O-N 3.36Å; Q656-E658 PolarHBondContact O-N 3.04Å; Q656-L659 WeakPolarHBondContact O-CB 3.48Å; Q656-L659 PolarHBondContact O-N 3.42Å; Q656-E660 WeakPolarHBondContact O-CG 3.4Å; Q656-E660 PolarHBondContact O-N 3.35Å; Q656-V705 HydrophobicContact CG-CG1 3.83Å; Q656-V705 HydrophobicContact CG-CG2 4.14Å |
| 657 | K | 95.6 | Very high | 94.6 | Very high | 118 Ų | 118 | 67.3 Ų | 67.3 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 176.1 | -167.8 | 179.4 | -173.8 | -100.7 | 0 | 112.4 | Q653 K654 I655 L659 E660 E661 | Q653-K657 WeakPolarHBondContact O-CB 3.41Å; Q653-K657 PolarHBondContact O-N 2.94Å; K654-K657 PolarHBondContact O-N 2.92Å; I655-K657 VanDerWaalsContact C-N 3.32Å; I655-K657 PolarHBondContact O-N 2.95Å; K657-L659 VanDerWaalsContact C-N 3.3Å; K657-L659 PolarHBondContact O-N 3.29Å; K657-E660 PolarHBondContact O-N 3.15Å; K657-E661 WeakPolarHBondContact CE-OE1 3.46Å; K657-E661 HydrophobicContact CG-CG 4.47Å; K657-E661 IonicContact NZ-OE1 3.68Å; K657-E661 PolarHBondContact NZ-OE1 3.3Å; K657-E661 WeakPolarHBondContact O-CB 3.36Å; K657-E661 VanDerWaalsContact O-CG 3.27Å; K657-E661 WeakPolarHBondContact O-CG 3.43Å; K657-E661 PolarHBondContact O-N 2.92Å |
| 658 | E | 95.3 | Very high | 94.1 | Very high | 76 Ų | 76 | 73.5 Ų | 73.5 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 175.2 | -72.8 | 171.8 | -168.5 | 0 | 0 | 111.5 | K654 I655 Q656 A662 L701 | K654-E658 WeakPolarHBondContact CE-OE1 3.42Å; K654-E658 IonicContact NZ-OE1 2.81Å; K654-E658 WeakPolarHBondContact O-CG 3.41Å; K654-E658 PolarHBondContact O-N 3.04Å; I655-E658 PolarHBondContact O-N 3.46Å; Q656-E658 PolarHBondContact O-N 3.04Å; E658-A662 WeakPolarHBondContact O-CB 3.28Å; E658-A662 PolarHBondContact O-N 2.87Å; E658-A662 VanDerWaalsContact O-N 3.09Å; E658-L701 HydrophobicContact CB-CD2 4.25Å |
| 659 | L | 95.1 | Very high | 93.5 | Very high | 12 Ų | 12 | 76.1 Ų | 76.1 | 6% | 0.063 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.5 | -47.2 | 174.5 | 177.2 | 66.5 | 0 | 0 | 0 | 112.3 | I655 Q656 K657 A662 K663 I698 L701 Q702 V705 | I655-L659 PolarHBondContact O-N 2.88Å; Q656-L659 WeakPolarHBondContact O-CB 3.48Å; Q656-L659 PolarHBondContact O-N 3.42Å; K657-L659 VanDerWaalsContact C-N 3.3Å; K657-L659 PolarHBondContact O-N 3.29Å; L659-A662 PolarHBondContact O-N 3.29Å; L659-K663 HydrophobicContact CG-CD 4.43Å; L659-K663 WeakPolarHBondContact O-CG 3.49Å; L659-K663 PolarHBondContact O-N 3.18Å; L659-I698 HydrophobicContact CD1-CG2 3.94Å; L659-L701 HydrophobicContact CB-CB 4.21Å; L659-L701 HydrophobicContact CD1-CB 3.75Å; L659-Q702 HydrophobicContact CD1-CB 4.45Å; L659-V705 HydrophobicContact CB-CG2 4.26Å; L659-V705 HydrophobicContact CD2-CB 4.48Å; L659-V705 HydrophobicContact CD2-CG2 3.87Å |
| 660 | E | 94.8 | Very high | 92.9 | Very high | 123 Ų | 123 | 79.1 Ų | 79.1 | 58% | 0.575 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.8 | -45.7 | 176.2 | -74.4 | 173.6 | -173.6 | 0 | 0 | 111.1 | Q656 K657 A662 K663 D664 | Q656-E660 WeakPolarHBondContact O-CG 3.4Å; Q656-E660 PolarHBondContact O-N 3.35Å; K657-E660 PolarHBondContact O-N 3.15Å; E660-A662 VanDerWaalsContact C-N 3.26Å; E660-A662 PolarHBondContact O-N 2.96Å; E660-K663 PolarHBondContact O-N 3.07Å; E660-D664 WeakPolarHBondContact O-CB 3.47Å; E660-D664 PolarHBondContact O-N 3.23Å |
| 661 | E | 94.8 | Very high | 92.2 | Very high | 82 Ų | 82 | 77.9 Ų | 77.9 | 38% | 0.383 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.4 | -31.7 | 176.5 | -74.6 | 177.7 | -170.2 | 0 | 0 | 112.8 | K657 K665 | K657-E661 WeakPolarHBondContact CE-OE1 3.46Å; K657-E661 HydrophobicContact CG-CG 4.47Å; K657-E661 IonicContact NZ-OE1 3.68Å; K657-E661 PolarHBondContact NZ-OE1 3.3Å; K657-E661 WeakPolarHBondContact O-CB 3.36Å; K657-E661 VanDerWaalsContact O-CG 3.27Å; K657-E661 WeakPolarHBondContact O-CG 3.43Å; K657-E661 PolarHBondContact O-N 2.92Å; E661-K665 WeakPolarHBondContact O-CD 3.47Å; E661-K665 WeakPolarHBondContact O-CG 3.23Å; E661-K665 PolarHBondContact O-N 3.45Å |
| 662 | A | 93.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 80.8 Ų | 80.8 | 3% | 0.033 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.3 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E658 L659 E660 K665 L666 I698 L701 | E658-A662 WeakPolarHBondContact O-CB 3.28Å; E658-A662 PolarHBondContact O-N 2.87Å; E658-A662 VanDerWaalsContact O-N 3.09Å; L659-A662 PolarHBondContact O-N 3.29Å; E660-A662 VanDerWaalsContact C-N 3.26Å; E660-A662 PolarHBondContact O-N 2.96Å; A662-K665 WeakPolarHBondContact O-CB 3.48Å; A662-K665 PolarHBondContact O-N 3.18Å; A662-L666 PolarHBondContact O-N 3.45Å; A662-L666 VanDerWaalsContact O-N 3.12Å; A662-I698 HydrophobicContact CB-CD1 4.47Å; A662-I698 HydrophobicContact CB-CG1 3.76Å; A662-L701 HydrophobicContact CB-CD1 3.94Å |
| 663 | K | 93.1 | Very high | 90.2 | Very high | 83 Ų | 83 | 84.2 Ų | 84.2 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 174.5 | -72 | 179.5 | 179.8 | 176.7 | 0 | 111.8 | L659 E660 K665 L666 E667 I698 | L659-K663 HydrophobicContact CG-CD 4.43Å; L659-K663 WeakPolarHBondContact O-CG 3.49Å; L659-K663 PolarHBondContact O-N 3.18Å; E660-K663 PolarHBondContact O-N 3.07Å; K663-K665 VanDerWaalsContact C-N 3.25Å; K663-K665 PolarHBondContact O-N 3.44Å; K663-L666 PolarHBondContact O-N 2.87Å; K663-L666 VanDerWaalsContact O-N 3.15Å; K663-E667 PolarHBondContact O-N 2.85Å; K663-I698 HydrophobicContact CG-CD1 4.21Å; K663-I698 HydrophobicContact CG-CG1 4.42Å; K663-I698 HydrophobicContact CG-CG2 4.25Å |
| 664 | D | 92.9 | Very high | 88.9 | Confident | 68 Ų | 68 | 85.5 Ų | 85.5 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.8 | -38 | 175.4 | -99.6 | 34.1 | 0 | 0 | 0 | 112.6 | E660 R668 | E660-D664 WeakPolarHBondContact O-CB 3.47Å; E660-D664 PolarHBondContact O-N 3.23Å; D664-R668 WeakPolarHBondContact O-CB 3.49Å; D664-R668 WeakPolarHBondContact O-CD 3.41Å; D664-R668 WeakPolarHBondContact O-CG 3.3Å; D664-R668 PolarHBondContact O-N 3.43Å; D664-R668 VanDerWaalsContact O-N 3.08Å; D664-R668 IonicContact OD2-CZ 2.63Å; D664-R668 IonicContact OD2-NH2 3.42Å; D664-R668 PolarHBondContact OD2-NH2 3.35Å |
| 665 | K | 91.4 | Very high | 87.5 | Confident | 116 Ų | 116 | 87.4 Ų | 87.4 | 50% | 0.504 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 178 | -76.4 | 167.5 | -168.6 | 170.5 | 0 | 111.1 | E661 A662 K663 R668 Q669 L694 | E661-K665 WeakPolarHBondContact O-CD 3.47Å; E661-K665 WeakPolarHBondContact O-CG 3.23Å; E661-K665 PolarHBondContact O-N 3.45Å; A662-K665 WeakPolarHBondContact O-CB 3.48Å; A662-K665 PolarHBondContact O-N 3.18Å; K663-K665 VanDerWaalsContact C-N 3.25Å; K663-K665 PolarHBondContact O-N 3.44Å; K665-R668 PolarHBondContact O-N 2.95Å; K665-Q669 WeakPolarHBondContact O-CG 3.38Å; K665-Q669 PolarHBondContact O-N 3.42Å; K665-L694 HydrophobicContact CB-CD2 4.08Å |
| 666 | L | 89.9 | Confident | 86.1 | Confident | 21 Ų | 21 | 92.9 Ų | 92.9 | 11% | 0.11 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 177.7 | -174.5 | 65.9 | 0 | 0 | 0 | 110.7 | A662 K663 R668 Q669 Q670 D691 L694 E695 I698 | A662-L666 PolarHBondContact O-N 3.45Å; A662-L666 VanDerWaalsContact O-N 3.12Å; K663-L666 PolarHBondContact O-N 2.87Å; K663-L666 VanDerWaalsContact O-N 3.15Å; L666-R668 VanDerWaalsContact C-N 3.32Å; L666-R668 PolarHBondContact O-N 3.11Å; L666-Q669 PolarHBondContact O-N 2.91Å; L666-Q669 VanDerWaalsContact O-N 3.13Å; L666-Q670 WeakPolarHBondContact O-CG 3.45Å; L666-Q670 PolarHBondContact O-N 3.46Å; L666-D691 HydrophobicContact CD1-CB 4.24Å; L666-L694 HydrophobicContact CB-CD2 3.68Å; L666-L694 HydrophobicContact CB-CG 4.4Å; L666-L694 HydrophobicContact CD1-CB 4.47Å; L666-L694 HydrophobicContact CD1-CD2 4.02Å; L666-L694 HydrophobicContact CG-CD2 4.45Å; L666-E695 HydrophobicContact CD1-CG 4.46Å; L666-E695 HydrophobicContact CD2-CG 3.95Å; L666-I698 HydrophobicContact CB-CD1 4.11Å; L666-I698 HydrophobicContact CD2-CD1 3.77Å |
| 667 | E | 89.5 | Confident | 84.2 | Confident | 112 Ų | 112 | 95.5 Ų | 95.5 | 52% | 0.523 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 177.6 | -73 | -177.5 | -175.6 | 0 | 0 | 112.1 | K663 Q670 H671 | K663-E667 PolarHBondContact O-N 2.85Å; E667-Q670 PolarHBondContact O-N 2.92Å; E667-H671 WeakPolarHBondContact O-CB 3.39Å; E667-H671 PolarHBondContact O-N 3.36Å |
| 668 | R | 87.8 | Confident | 82.2 | Confident | 156 Ų | 156 | 92.6 Ų | 92.6 | 59% | 0.589 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.3 | -35.3 | 176.8 | -72.8 | 170.7 | -162.7 | -178.4 | 11.6 | 112.6 | D664 K665 L666 K672 | D664-R668 WeakPolarHBondContact O-CB 3.49Å; D664-R668 WeakPolarHBondContact O-CD 3.41Å; D664-R668 WeakPolarHBondContact O-CG 3.3Å; D664-R668 PolarHBondContact O-N 3.43Å; D664-R668 VanDerWaalsContact O-N 3.08Å; D664-R668 IonicContact OD2-CZ 2.63Å; D664-R668 IonicContact OD2-NH2 3.42Å; D664-R668 PolarHBondContact OD2-NH2 3.35Å; K665-R668 PolarHBondContact O-N 2.95Å; L666-R668 VanDerWaalsContact C-N 3.32Å; L666-R668 PolarHBondContact O-N 3.11Å; R668-K672 WeakPolarHBondContact O-CG 3.28Å; R668-K672 PolarHBondContact O-N 3.3Å; R668-K672 VanDerWaalsContact O-N 3.14Å |
| 669 | Q | 84 | Confident | 80.1 | Confident | 63 Ų | 63 | 96.6 Ų | 96.6 | 29% | 0.294 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.4 | -48.8 | 175 | -79.5 | 171.9 | -33.2 | 0 | 0 | 110.4 | K665 L666 H671 K672 K673 L694 | K665-Q669 WeakPolarHBondContact O-CG 3.38Å; K665-Q669 PolarHBondContact O-N 3.42Å; L666-Q669 PolarHBondContact O-N 2.91Å; L666-Q669 VanDerWaalsContact O-N 3.13Å; Q669-H671 VanDerWaalsContact C-N 3.35Å; Q669-H671 PolarHBondContact O-N 3.25Å; Q669-K672 PolarHBondContact O-N 3.14Å; Q669-K672 VanDerWaalsContact O-N 3.14Å; Q669-K673 WeakPolarHBondContact O-CG 3.34Å; Q669-K673 PolarHBondContact O-N 3.4Å; Q669-L694 VanDerWaalsContact OE1-CD2 3.3Å |
| 670 | Q | 83.6 | Confident | 78.1 | Confident | 78 Ų | 78 | 102.8 Ų | 102.8 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 177 | -68.9 | 177 | -7.4 | 0 | 0 | 112.4 | L666 E667 K672 K673 Q674 | L666-Q670 WeakPolarHBondContact O-CG 3.45Å; L666-Q670 PolarHBondContact O-N 3.46Å; E667-Q670 PolarHBondContact O-N 2.92Å; Q670-K672 VanDerWaalsContact C-N 3.35Å; Q670-K672 PolarHBondContact O-N 3.01Å; Q670-K673 PolarHBondContact O-N 3.18Å; Q670-Q674 PolarHBondContact O-N 3.08Å |
| 671 | H | 82.1 | Confident | 76.2 | Confident | 117 Ų | 117 | 105.2 Ų | 105.2 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.3 | -30.8 | 175.6 | -99.4 | -58.7 | 0 | 0 | 0 | 114.1 | E667 Q669 | E667-H671 WeakPolarHBondContact O-CB 3.39Å; E667-H671 PolarHBondContact O-N 3.36Å; Q669-H671 VanDerWaalsContact C-N 3.35Å; Q669-H671 PolarHBondContact O-N 3.25Å |
| 672 | K | 79.1 | Confident | 74.2 | Confident | 145 Ų | 145 | 108.2 Ų | 108.2 | 63% | 0.63 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.1 | -43.8 | 172.4 | -77.6 | 176.3 | 179.4 | -176.9 | 0 | 110.9 | R668 Q669 Q670 Q674 K675 D676 | R668-K672 WeakPolarHBondContact O-CG 3.28Å; R668-K672 PolarHBondContact O-N 3.3Å; R668-K672 VanDerWaalsContact O-N 3.14Å; Q669-K672 PolarHBondContact O-N 3.14Å; Q669-K672 VanDerWaalsContact O-N 3.14Å; Q670-K672 VanDerWaalsContact C-N 3.35Å; Q670-K672 PolarHBondContact O-N 3.01Å; K672-Q674 VanDerWaalsContact C-N 3.3Å; K672-Q674 PolarHBondContact O-N 3.42Å; K672-K675 PolarHBondContact O-N 3.06Å; K672-D676 PolarHBondContact O-N 3.39Å |
| 673 | K | 70.9 | Confident | 72.2 | Confident | 76 Ų | 76 | 114.3 Ų | 114.3 | 33% | 0.33 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -56 | -42.7 | 175.2 | -68.1 | -179.9 | -175.8 | -173.5 | 0 | 112.1 | Q669 Q670 K675 S687 D691 | Q669-K673 WeakPolarHBondContact O-CG 3.34Å; Q669-K673 PolarHBondContact O-N 3.4Å; Q670-K673 PolarHBondContact O-N 3.18Å; K673-K675 PolarHBondContact O-N 3.12Å; K673-S687 WeakPolarHBondContact CE-OG 3.5Å; K673-S687 PolarHBondContact NZ-O 3.48Å; K673-S687 PolarHBondContact NZ-OG 2.86Å; K673-S687 VanDerWaalsContact NZ-OG 3.09Å; K673-D691 IonicContact NZ-OD1 3.5Å; K673-D691 PolarHBondContact NZ-OD1 3.3Å; K673-D691 IonicContact NZ-OD2 3.06Å; K673-D691 PolarHBondContact NZ-OD2 3.39Å |
| 674 | Q | 68.5 | Low | 70.5 | Confident | 144 Ų | 144 | 116.2 Ų | 116.2 | 67% | 0.673 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -19.3 | 176.4 | -75.5 | -178.4 | 4.1 | 0 | 0 | 114.7 | Q670 K672 | Q670-Q674 PolarHBondContact O-N 3.08Å; K672-Q674 VanDerWaalsContact C-N 3.3Å; K672-Q674 PolarHBondContact O-N 3.42Å |
| 675 | K | 66.1 | Low | 68.8 | Low | 171 Ų | 171 | 120 Ų | 120 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -29.7 | 179.1 | -79.2 | -177.3 | 176.8 | 177.6 | 0 | 113.6 | K672 K673 | K672-K675 PolarHBondContact O-N 3.06Å; K673-K675 PolarHBondContact O-N 3.12Å |
| 676 | D | 64.3 | Low | 67.2 | Low | 130 Ų | 130 | 119.9 Ų | 119.9 | 70% | 0.695 | 59% | 0.592 | S | S | * | * | trans | -100.2 | 28.6 | -176.9 | -70.4 | -23.8 | 0 | 0 | 0 | 112.6 | K672 G678 | K672-D676 PolarHBondContact O-N 3.39Å; D676-G678 PolarHBondContact O-N 2.95Å | ||
| 677 | S | 56.3 | Low | 65.8 | Low | 110 Ų | 110 | 120.2 Ų | 120.2 | 77% | 0.769 | 60% | 0.596 | S | S | * | * | trans | -70.5 | 30.1 | -176.6 | 75.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 678 | G | 53.4 | Low | 64.8 | Low | 57 Ų | 57 | 121.1 Ų | 121.1 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -128.3 | 98.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | D676 | D676-G678 PolarHBondContact O-N 2.95Š|
| 679 | D | 51.8 | Low | 64.2 | Low | 161 Ų | 161 | 118.8 Ų | 118.8 | 86% | 0.861 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 82 | 103.7 | 169.7 | -55.1 | -27.2 | 0 | 0 | 0 | 117.4 | ||
| 680 | E | 52.3 | Low | 63.8 | Low | 142 Ų | 142 | 121.2 Ų | 121.2 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | trans | 154.7 | 102.9 | 132.3 | -82.5 | 178.4 | -170 | 0 | 0 | 112.8 | D682 M683 | E680-D682 VanDerWaalsContact C-N 3.28Å; E680-D682 PolarHBondContact O-N 3.35Å; E680-M683 HydrophobicContact CB-CB 4.42Å; E680-M683 HydrophobicContact CB-CG 4.38Å; E680-M683 PolarHBondContact O-N 3.23Å | ||
| 681 | E | 55.5 | Low | 63.8 | Low | 173 Ų | 173 | 118.5 Ų | 118.5 | 81% | 0.808 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.4 | -19.2 | -178.6 | -67.6 | 179.1 | 166.6 | 0 | 0 | 114.8 | ||
| 682 | D | 51.5 | Low | 63.9 | Low | 145 Ų | 145 | 114.6 Ų | 114.6 | 78% | 0.775 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -86.7 | -17.8 | 178.8 | -83.1 | -31.1 | 0 | 0 | 0 | 113.3 | E680 | E680-D682 VanDerWaalsContact C-N 3.28Å; E680-D682 PolarHBondContact O-N 3.35Å |
| 683 | M | 53.2 | Low | 64.3 | Low | 132 Ų | 132 | 114 Ų | 114 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -80.9 | -22.1 | 173.5 | -79.9 | -86.2 | -95.2 | 0 | 0 | 112.3 | E680 S687 | E680-M683 HydrophobicContact CB-CB 4.42Å; E680-M683 HydrophobicContact CB-CG 4.38Å; E680-M683 PolarHBondContact O-N 3.23Å; M683-S687 WeakPolarHBondContact O-CB 3.37Å; M683-S687 PolarHBondContact O-N 2.79Å; M683-S687 PolarHBondContact O-OG 2.96Å |
| 684 | E | 55.9 | Low | 65.1 | Low | 123 Ų | 123 | 111.2 Ų | 111.2 | 58% | 0.575 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.4 | -44.9 | -179.5 | -71.9 | -176.3 | 157 | 0 | 0 | 112 | S687 E688 | E684-S687 PolarHBondContact O-N 3.5Å; E684-S687 VanDerWaalsContact O-N 3.16Å; E684-S687 PolarHBondContact O-OG 3.3Å; E684-E688 PolarHBondContact O-N 3.04Å |
| 685 | K | 57.1 | Low | 66.2 | Low | 149 Ų | 149 | 109.3 Ų | 109.3 | 65% | 0.648 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.9 | -46.8 | -177.7 | -84.1 | -177.2 | 177.7 | 172.2 | 0 | 114.8 | S687 E688 D689 | K685-S687 PolarHBondContact O-N 3.04Å; K685-E688 PolarHBondContact O-N 3.14Å; K685-D689 PolarHBondContact O-N 3.02Å |
| 686 | N | 58.2 | Low | 67.5 | Low | 113 Ų | 113 | 105.4 Ų | 105.4 | 60% | 0.604 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.7 | -30.7 | 176.2 | -84.9 | -16 | 0 | 0 | 0 | 111.4 | E690 | N686-E690 WeakPolarHBondContact O-CG 3.19Å; N686-E690 PolarHBondContact O-N 3.21Å |
| 687 | S | 61.3 | Low | 68.9 | Low | 27 Ų | 27 | 104 Ų | 104 | 19% | 0.189 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -79.1 | -26.6 | 179.8 | 86.1 | 0 | 0 | 0 | 0 | 113.8 | K673 M683 E684 K685 D691 | K673-S687 WeakPolarHBondContact CE-OG 3.5Å; K673-S687 PolarHBondContact NZ-O 3.48Å; K673-S687 PolarHBondContact NZ-OG 2.86Å; K673-S687 VanDerWaalsContact NZ-OG 3.09Å; M683-S687 WeakPolarHBondContact O-CB 3.37Å; M683-S687 PolarHBondContact O-N 2.79Å; M683-S687 PolarHBondContact O-OG 2.96Å; E684-S687 PolarHBondContact O-N 3.5Å; E684-S687 VanDerWaalsContact O-N 3.16Å; E684-S687 PolarHBondContact O-OG 3.3Å; K685-S687 PolarHBondContact O-N 3.04Å; S687-D691 PolarHBondContact O-N 3Å; S687-D691 VanDerWaalsContact O-N 3.13Å |
| 688 | E | 67.7 | Low | 70.7 | Confident | 131 Ų | 131 | 99.9 Ų | 99.9 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.4 | -39.8 | 172.6 | -74.7 | -178 | 164 | 0 | 0 | 111 | E684 K685 D691 G692 | E684-E688 PolarHBondContact O-N 3.04Å; K685-E688 PolarHBondContact O-N 3.14Å; E688-D691 PolarHBondContact O-N 3.4Å; E688-G692 PolarHBondContact O-N 3.42Å |
| 689 | D | 74.4 | Confident | 72.7 | Confident | 108 Ų | 108 | 103 Ų | 103 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.5 | -37 | 174.9 | -75.6 | -22.3 | 0 | 0 | 0 | 112.1 | K685 Q693 | K685-D689 PolarHBondContact O-N 3.02Å; D689-Q693 WeakPolarHBondContact O-CG 3.24Å; D689-Q693 PolarHBondContact O-N 3.33Å; D689-Q693 VanDerWaalsContact O-N 3.13Å |
| 690 | E | 77.4 | Confident | 74.7 | Confident | 113 Ų | 113 | 102 Ų | 102 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.4 | -41.6 | 174.8 | -77.3 | -176.7 | -176.3 | 0 | 0 | 112.9 | N686 Q693 L694 | N686-E690 WeakPolarHBondContact O-CG 3.19Å; N686-E690 PolarHBondContact O-N 3.21Å; E690-Q693 PolarHBondContact O-N 3.32Å; E690-L694 PolarHBondContact O-N 3.36Å; E690-L694 VanDerWaalsContact O-N 3.07Å |
| 691 | D | 82.4 | Confident | 76.8 | Confident | 21 Ų | 21 | 95.9 Ų | 95.9 | 11% | 0.112 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 175.4 | -77 | 14.4 | 0 | 0 | 0 | 110.3 | L666 K673 S687 E688 Q693 L694 E695 | L666-D691 HydrophobicContact CD1-CB 4.24Å; K673-D691 IonicContact NZ-OD1 3.5Å; K673-D691 PolarHBondContact NZ-OD1 3.3Å; K673-D691 IonicContact NZ-OD2 3.06Å; K673-D691 PolarHBondContact NZ-OD2 3.39Å; S687-D691 PolarHBondContact O-N 3Å; S687-D691 VanDerWaalsContact O-N 3.13Å; E688-D691 PolarHBondContact O-N 3.4Å; D691-Q693 VanDerWaalsContact C-N 3.35Å; D691-Q693 PolarHBondContact O-N 3.1Å; D691-L694 PolarHBondContact O-N 3.02Å; D691-L694 VanDerWaalsContact O-N 3.1Å; D691-E695 WeakPolarHBondContact O-CG 3.48Å; D691-E695 PolarHBondContact O-N 3.01Å |
| 692 | G | 84.5 | Confident | 78.7 | Confident | 36 Ų | 36 | 90.7 Ų | 90.7 | 37% | 0.371 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E688 L694 E695 E696 | E688-G692 PolarHBondContact O-N 3.42Å; G692-L694 VanDerWaalsContact C-N 3.34Å; G692-E695 PolarHBondContact O-N 3.17Å; G692-E696 PolarHBondContact O-N 2.94Å |
| 693 | Q | 87.2 | Confident | 80.8 | Confident | 131 Ų | 131 | 89.6 Ų | 89.6 | 61% | 0.612 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.3 | -37.7 | 173.1 | -74.5 | 174.9 | 30.9 | 0 | 0 | 112.4 | D689 E690 D691 Q697 | D689-Q693 WeakPolarHBondContact O-CG 3.24Å; D689-Q693 PolarHBondContact O-N 3.33Å; D689-Q693 VanDerWaalsContact O-N 3.13Å; E690-Q693 PolarHBondContact O-N 3.32Å; D691-Q693 VanDerWaalsContact C-N 3.35Å; D691-Q693 PolarHBondContact O-N 3.1Å; Q693-Q697 WeakPolarHBondContact O-CB 3.38Å; Q693-Q697 PolarHBondContact O-N 3.43Å |
| 694 | L | 89 | Confident | 82.8 | Confident | 18 Ų | 18 | 89.2 Ų | 89.2 | 9% | 0.094 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -73.2 | -36.5 | 179.3 | -165.5 | 64.2 | 0 | 0 | 0 | 111.5 | K665 L666 Q669 E690 D691 G692 Q697 I698 | K665-L694 HydrophobicContact CB-CD2 4.08Å; L666-L694 HydrophobicContact CB-CD2 3.68Å; L666-L694 HydrophobicContact CB-CG 4.4Å; L666-L694 HydrophobicContact CD1-CB 4.47Å; L666-L694 HydrophobicContact CD1-CD2 4.02Å; L666-L694 HydrophobicContact CG-CD2 4.45Å; Q669-L694 VanDerWaalsContact OE1-CD2 3.3Å; E690-L694 PolarHBondContact O-N 3.36Å; E690-L694 VanDerWaalsContact O-N 3.07Å; D691-L694 PolarHBondContact O-N 3.02Å; D691-L694 VanDerWaalsContact O-N 3.1Å; G692-L694 VanDerWaalsContact C-N 3.34Å; L694-Q697 WeakPolarHBondContact O-CB 3.45Å; L694-Q697 PolarHBondContact O-N 3.35Å; L694-I698 HydrophobicContact CG-CD1 4.4Å; L694-I698 WeakPolarHBondContact O-CB 3.41Å; L694-I698 VanDerWaalsContact O-CG1 3.24Å; L694-I698 WeakPolarHBondContact O-CG1 3.44Å; L694-I698 PolarHBondContact O-N 3.39Å |
| 695 | E | 91.7 | Very high | 84.7 | Confident | 105 Ų | 105 | 83.7 Ų | 83.7 | 49% | 0.491 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 171.8 | -74.2 | 179.1 | 174.5 | 0 | 0 | 111.5 | L666 D691 G692 Q697 I698 E699 | L666-E695 HydrophobicContact CD1-CG 4.46Å; L666-E695 HydrophobicContact CD2-CG 3.95Å; D691-E695 WeakPolarHBondContact O-CG 3.48Å; D691-E695 PolarHBondContact O-N 3.01Å; G692-E695 PolarHBondContact O-N 3.17Å; E695-Q697 VanDerWaalsContact C-N 3.28Å; E695-Q697 PolarHBondContact O-N 3.1Å; E695-I698 WeakPolarHBondContact O-CB 3.37Å; E695-I698 PolarHBondContact O-N 3.45Å; E695-I698 VanDerWaalsContact O-N 3.12Å; E695-E699 PolarHBondContact O-N 3.42Å |
| 696 | E | 92.8 | Very high | 86.6 | Confident | 88 Ų | 88 | 81.5 Ų | 81.5 | 41% | 0.411 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 174.3 | -170.4 | -172 | 179.7 | 0 | 0 | 111.4 | G692 E699 R700 | G692-E696 PolarHBondContact O-N 2.94Å; E696-E699 PolarHBondContact O-N 2.85Å; E696-R700 WeakPolarHBondContact O-CG 3.41Å; E696-R700 PolarHBondContact O-N 2.95Å; E696-R700 IonicContact OE1-CZ 3.26Å; E696-R700 IonicContact OE1-NE 3.23Å; E696-R700 IonicContact OE1-NH1 2.63Å; E696-R700 IonicContact OE1-NH2 3.04Å; E696-R700 PolarHBondContact OE1-NH2 2.99Å |
| 697 | Q | 93.3 | Very high | 88.4 | Confident | 102 Ų | 102 | 79.2 Ų | 79.2 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 173.8 | -175.8 | 178 | 11.3 | 0 | 0 | 112 | Q693 L694 E695 R700 L701 | Q693-Q697 WeakPolarHBondContact O-CB 3.38Å; Q693-Q697 PolarHBondContact O-N 3.43Å; L694-Q697 WeakPolarHBondContact O-CB 3.45Å; L694-Q697 PolarHBondContact O-N 3.35Å; E695-Q697 VanDerWaalsContact C-N 3.28Å; E695-Q697 PolarHBondContact O-N 3.1Å; Q697-R700 PolarHBondContact O-N 3.31Å; Q697-L701 HydrophobicContact CG-CD1 4.06Å; Q697-L701 WeakPolarHBondContact O-CB 3.24Å; Q697-L701 VanDerWaalsContact O-CG 3.28Å; Q697-L701 WeakPolarHBondContact O-CG 3.32Å; Q697-L701 PolarHBondContact O-N 2.84Å |
| 698 | I | 94 | Very high | 90 | Very high | 22 Ų | 22 | 78.1 Ų | 78.1 | 11% | 0.113 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 177 | -74.2 | 164.1 | 0 | 0 | 0 | 110.4 | L659 A662 K663 L666 L694 E695 L701 Q702 | L659-I698 HydrophobicContact CD1-CG2 3.94Å; A662-I698 HydrophobicContact CB-CD1 4.47Å; A662-I698 HydrophobicContact CB-CG1 3.76Å; K663-I698 HydrophobicContact CG-CD1 4.21Å; K663-I698 HydrophobicContact CG-CG1 4.42Å; K663-I698 HydrophobicContact CG-CG2 4.25Å; L666-I698 HydrophobicContact CB-CD1 4.11Å; L666-I698 HydrophobicContact CD2-CD1 3.77Å; L694-I698 HydrophobicContact CG-CD1 4.4Å; L694-I698 WeakPolarHBondContact O-CB 3.41Å; L694-I698 VanDerWaalsContact O-CG1 3.24Å; L694-I698 WeakPolarHBondContact O-CG1 3.44Å; L694-I698 PolarHBondContact O-N 3.39Å; E695-I698 WeakPolarHBondContact O-CB 3.37Å; E695-I698 PolarHBondContact O-N 3.45Å; E695-I698 VanDerWaalsContact O-N 3.12Å; I698-L701 PolarHBondContact O-N 3.46Å; I698-Q702 WeakPolarHBondContact O-CB 3.26Å; I698-Q702 PolarHBondContact O-N 3.26Å |
| 699 | E | 95.2 | Very high | 91.4 | Very high | 124 Ų | 124 | 74.7 Ų | 74.7 | 58% | 0.579 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.3 | -49.1 | 176.5 | -172.3 | 175.9 | -162.4 | 0 | 0 | 111.1 | E695 E696 L701 Q702 E703 | E695-E699 PolarHBondContact O-N 3.42Å; E696-E699 PolarHBondContact O-N 2.85Å; E699-L701 VanDerWaalsContact C-N 3.29Å; E699-L701 PolarHBondContact O-N 3.5Å; E699-Q702 WeakPolarHBondContact O-CB 3.31Å; E699-Q702 PolarHBondContact O-N 2.96Å; E699-Q702 VanDerWaalsContact O-N 3.12Å; E699-E703 PolarHBondContact O-N 3.38Å |
| 700 | R | 94.8 | Very high | 92.4 | Very high | 139 Ų | 139 | 72.4 Ų | 72.4 | 53% | 0.525 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 175 | -71.5 | 173.4 | 177.6 | 172.7 | 0.2 | 113.1 | E696 Q697 K704 | E696-R700 WeakPolarHBondContact O-CG 3.41Å; E696-R700 PolarHBondContact O-N 2.95Å; E696-R700 IonicContact OE1-CZ 3.26Å; E696-R700 IonicContact OE1-NE 3.23Å; E696-R700 IonicContact OE1-NH1 2.63Å; E696-R700 IonicContact OE1-NH2 3.04Å; E696-R700 PolarHBondContact OE1-NH2 2.99Å; Q697-R700 PolarHBondContact O-N 3.31Å; R700-K704 VanDerWaalsContact O-CG 3.29Å; R700-K704 WeakPolarHBondContact O-CG 3.34Å; R700-K704 PolarHBondContact O-N 3.18Å |
| 701 | L | 95 | Very high | 93.2 | Very high | 13 Ų | 13 | 71.9 Ų | 71.9 | 7% | 0.068 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.5 | -36.5 | 176.4 | -76.9 | 171 | 0 | 0 | 0 | 111.4 | E658 L659 A662 Q697 I698 E699 K704 V705 | E658-L701 HydrophobicContact CB-CD2 4.25Å; L659-L701 HydrophobicContact CB-CB 4.21Å; L659-L701 HydrophobicContact CD1-CB 3.75Å; A662-L701 HydrophobicContact CB-CD1 3.94Å; Q697-L701 HydrophobicContact CG-CD1 4.06Å; Q697-L701 WeakPolarHBondContact O-CB 3.24Å; Q697-L701 VanDerWaalsContact O-CG 3.28Å; Q697-L701 WeakPolarHBondContact O-CG 3.32Å; Q697-L701 PolarHBondContact O-N 2.84Å; I698-L701 PolarHBondContact O-N 3.46Å; E699-L701 VanDerWaalsContact C-N 3.29Å; E699-L701 PolarHBondContact O-N 3.5Å; L701-K704 PolarHBondContact O-N 2.88Å; L701-V705 WeakPolarHBondContact O-CG2 3.48Å; L701-V705 PolarHBondContact O-N 2.97Å |
| 702 | Q | 95.8 | Very high | 94 | Very high | 65 Ų | 65 | 71.2 Ų | 71.2 | 30% | 0.304 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 175.7 | -176.4 | 67.5 | 43.3 | 0 | 0 | 110.7 | L659 I698 E699 K704 V705 E706 | L659-Q702 HydrophobicContact CD1-CB 4.45Å; I698-Q702 WeakPolarHBondContact O-CB 3.26Å; I698-Q702 PolarHBondContact O-N 3.26Å; E699-Q702 WeakPolarHBondContact O-CB 3.31Å; E699-Q702 PolarHBondContact O-N 2.96Å; E699-Q702 VanDerWaalsContact O-N 3.12Å; Q702-K704 VanDerWaalsContact C-N 3.29Å; Q702-K704 PolarHBondContact O-N 3.15Å; Q702-V705 PolarHBondContact O-N 2.9Å; Q702-V705 VanDerWaalsContact O-N 3.12Å; Q702-E706 PolarHBondContact NE2-OE1 3.3Å; Q702-E706 PolarHBondContact O-N 2.85Å |
| 703 | E | 96.6 | Very high | 94.5 | Very high | 122 Ų | 122 | 72.5 Ų | 72.5 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.5 | -41.4 | 174.2 | -69.2 | -178.4 | 162.4 | 0 | 0 | 112.1 | E699 E706 S707 | E699-E703 PolarHBondContact O-N 3.38Å; E703-E706 PolarHBondContact O-N 2.99Å; E703-S707 WeakPolarHBondContact O-CB 3.45Å; E703-S707 PolarHBondContact O-N 2.98Å |
| 704 | K | 95.4 | Very high | 95 | Very high | 124 Ų | 124 | 70 Ų | 70 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 176.2 | -76.8 | 175.7 | -178.3 | 177.8 | 0 | 112.7 | I655 R700 L701 Q702 A708 | I655-K704 HydrophobicContact CG2-CB 3.9Å; R700-K704 VanDerWaalsContact O-CG 3.29Å; R700-K704 WeakPolarHBondContact O-CG 3.34Å; R700-K704 PolarHBondContact O-N 3.18Å; L701-K704 PolarHBondContact O-N 2.88Å; Q702-K704 VanDerWaalsContact C-N 3.29Å; Q702-K704 PolarHBondContact O-N 3.15Å; K704-A708 VanDerWaalsContact O-CB 3.28Å; K704-A708 WeakPolarHBondContact O-CB 3.31Å; K704-A708 PolarHBondContact O-N 3.04Å |
| 705 | V | 95.5 | Very high | 95.4 | Very high | 6 Ų | 6 | 69.2 Ų | 69.2 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 175.4 | 169.6 | 0 | 0 | 0 | 0 | 110 | I655 Q656 L659 L701 Q702 S707 A708 Q709 | I655-V705 HydrophobicContact CB-CG2 4.2Å; I655-V705 HydrophobicContact CG2-CG2 3.54Å; Q656-V705 HydrophobicContact CG-CG1 3.83Å; Q656-V705 HydrophobicContact CG-CG2 4.14Å; L659-V705 HydrophobicContact CB-CG2 4.26Å; L659-V705 HydrophobicContact CD2-CB 4.48Å; L659-V705 HydrophobicContact CD2-CG2 3.87Å; L701-V705 WeakPolarHBondContact O-CG2 3.48Å; L701-V705 PolarHBondContact O-N 2.97Å; Q702-V705 PolarHBondContact O-N 2.9Å; Q702-V705 VanDerWaalsContact O-N 3.12Å; V705-S707 PolarHBondContact O-N 3.15Å; V705-A708 PolarHBondContact O-N 3.4Å; V705-Q709 HydrophobicContact CG1-CG 4.15Å; V705-Q709 WeakPolarHBondContact O-CB 3.19Å; V705-Q709 VanDerWaalsContact O-CG 3.27Å; V705-Q709 WeakPolarHBondContact O-CG 3.41Å; V705-Q709 PolarHBondContact O-N 3.49Å |
| 706 | E | 95.9 | Very high | 95.7 | Very high | 104 Ų | 104 | 64.3 Ų | 64.3 | 49% | 0.486 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | -179.9 | -72 | 172.5 | -163 | 0 | 0 | 111.8 | Q702 E703 Q709 S710 | Q702-E706 PolarHBondContact NE2-OE1 3.3Å; Q702-E706 PolarHBondContact O-N 2.85Å; E703-E706 PolarHBondContact O-N 2.99Å; E706-Q709 PolarHBondContact O-N 3.42Å; E706-S710 WeakPolarHBondContact O-CB 3.38Å; E706-S710 PolarHBondContact O-N 3.43Å |
| 707 | S | 96.3 | Very high | 95.9 | Very high | 65 Ų | 65 | 61.3 Ų | 61.3 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -49.1 | 173.9 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | E703 V705 Q709 S710 E711 | E703-S707 WeakPolarHBondContact O-CB 3.45Å; E703-S707 PolarHBondContact O-N 2.98Å; V705-S707 PolarHBondContact O-N 3.15Å; S707-Q709 PolarHBondContact O-N 3.29Å; S707-S710 WeakPolarHBondContact O-CB 3.46Å; S707-S710 PolarHBondContact O-N 3.1Å; S707-S710 VanDerWaalsContact O-N 3.14Å; S707-E711 PolarHBondContact O-N 2.96Å |
| 708 | A | 95.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M648 V652 I655 K704 V705 E711 Q712 | M648-A708 VanDerWaalsContact CE-O 3.31Å; M648-A708 WeakPolarHBondContact CE-O 3.37Å; V652-A708 HydrophobicContact CG2-CB 4.01Å; V652-A708 WeakPolarHBondContact CG2-O 3.41Å; I655-A708 HydrophobicContact CD1-CB 3.79Å; K704-A708 VanDerWaalsContact O-CB 3.28Å; K704-A708 WeakPolarHBondContact O-CB 3.31Å; K704-A708 PolarHBondContact O-N 3.04Å; V705-A708 PolarHBondContact O-N 3.4Å; A708-E711 PolarHBondContact O-N 2.92Å; A708-Q712 WeakPolarHBondContact O-CB 3.28Å; A708-Q712 PolarHBondContact O-N 2.94Å |
| 709 | Q | 95.8 | Very high | 96.3 | Very high | 60 Ų | 60 | 56.7 Ų | 56.7 | 28% | 0.28 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.8 | -38 | 173.2 | -76.1 | 178.6 | -30.3 | 0 | 0 | 111.6 | V652 V705 E706 S707 Q712 K713 | V652-Q709 HydrophobicContact CG1-CG 3.83Å; V705-Q709 HydrophobicContact CG1-CG 4.15Å; V705-Q709 WeakPolarHBondContact O-CB 3.19Å; V705-Q709 VanDerWaalsContact O-CG 3.27Å; V705-Q709 WeakPolarHBondContact O-CG 3.41Å; V705-Q709 PolarHBondContact O-N 3.49Å; E706-Q709 PolarHBondContact O-N 3.42Å; S707-Q709 PolarHBondContact O-N 3.29Å; Q709-Q712 PolarHBondContact O-N 3.15Å; Q709-K713 WeakPolarHBondContact O-CB 3.31Å; Q709-K713 PolarHBondContact O-N 2.83Å |
| 710 | S | 95.9 | Very high | 96.4 | Very high | 60 Ų | 60 | 50.9 Ų | 50.9 | 42% | 0.42 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 173.3 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | E706 S707 Q712 K713 N714 | E706-S710 WeakPolarHBondContact O-CB 3.38Å; E706-S710 PolarHBondContact O-N 3.43Å; S707-S710 WeakPolarHBondContact O-CB 3.46Å; S707-S710 PolarHBondContact O-N 3.1Å; S707-S710 VanDerWaalsContact O-N 3.14Å; S710-Q712 PolarHBondContact O-N 3.27Å; S710-K713 PolarHBondContact O-N 3.41Å; S710-N714 WeakPolarHBondContact O-CB 3.42Å; S710-N714 PolarHBondContact O-N 2.96Å; S710-N714 PolarHBondContact O-ND2 3.5Å |
| 711 | E | 95.4 | Very high | 96.6 | Very high | 101 Ų | 101 | 49.2 Ų | 49.2 | 47% | 0.472 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.2 | -44 | 174 | -72.3 | -178.6 | -174.3 | 0 | 0 | 112.4 | M648 S707 A708 N714 L715 | M648-E711 HydrophobicContact CE-CB 3.81Å; M648-E711 HydrophobicContact SD-CB 4.27Å; S707-E711 PolarHBondContact O-N 2.96Å; A708-E711 PolarHBondContact O-N 2.92Å; E711-N714 PolarHBondContact O-N 2.89Å; E711-L715 WeakPolarHBondContact O-CB 3.49Å; E711-L715 PolarHBondContact O-N 2.92Å |
| 712 | Q | 97.5 | Very high | 96.7 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 176.6 | -179.7 | -178.4 | 48.2 | 0 | 0 | 111.6 | M648 N649 V652 A708 Q709 S710 L715 F716 T763 Y767 | M648-Q712 HydrophobicContact CE-CB 4.21Å; M648-Q712 HydrophobicContact CG-CB 3.91Å; M648-Q712 HydrophobicContact CG-CG 4.22Å; N649-Q712 PolarHBondContact OD1-NE2 2.93Å; V652-Q712 HydrophobicContact CG2-CB 3.87Å; V652-Q712 HydrophobicContact CG2-CG 4.4Å; A708-Q712 WeakPolarHBondContact O-CB 3.28Å; A708-Q712 PolarHBondContact O-N 2.94Å; Q709-Q712 PolarHBondContact O-N 3.15Å; S710-Q712 PolarHBondContact O-N 3.27Å; Q712-L715 WeakPolarHBondContact O-CB 3.29Å; Q712-L715 PolarHBondContact O-N 3.49Å; Q712-F716 HydrophobicContact CG-CD2 4.29Å; Q712-F716 HydrophobicContact CG-CE2 4.07Å; Q712-F716 VanDerWaalsContact O-CD2 3.26Å; Q712-F716 WeakPolarHBondContact O-CD2 2.88Å; Q712-F716 PolarHBondContact O-N 3.26Å; Q712-T763 HydrophobicContact CG-CG2 4.15Å; Q712-Y767 PolarHBondContact OE1-OH 2.88Å |
| 713 | K | 96.4 | Very high | 96.8 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59 | -49 | 176.3 | -178 | -179.4 | 178.7 | 179 | 0 | 110.9 | Q709 S710 L715 F716 L717 Y767 T770 | Q709-K713 WeakPolarHBondContact O-CB 3.31Å; Q709-K713 PolarHBondContact O-N 2.83Å; S710-K713 PolarHBondContact O-N 3.41Å; K713-L715 VanDerWaalsContact C-N 3.31Å; K713-L715 PolarHBondContact O-N 3.41Å; K713-F716 PolarHBondContact O-N 3.13Å; K713-F716 VanDerWaalsContact O-N 3.15Å; K713-L717 HydrophobicContact CG-CD1 4.24Å; K713-L717 HydrophobicContact CG-CG 4.47Å; K713-L717 WeakPolarHBondContact O-CG 3.38Å; K713-L717 PolarHBondContact O-N 2.89Å; K713-Y767 HydrophobicContact CB-CD1 4.36Å; K713-Y767 HydrophobicContact CB-CD2 4.5Å; K713-Y767 HydrophobicContact CB-CE1 3.98Å; K713-Y767 HydrophobicContact CB-CE2 4.11Å; K713-Y767 HydrophobicContact CD-CD1 4.16Å; K713-Y767 HydrophobicContact CD-CE1 4.37Å; K713-Y767 HydrophobicContact CG-CD1 4.05Å; K713-Y767 HydrophobicContact CG-CD2 4.34Å; K713-Y767 HydrophobicContact CG-CE1 4.18Å; K713-Y767 HydrophobicContact CG-CE2 4.44Å; K713-Y767 HydrophobicContact CG-CG 4.15Å; K713-T770 VanDerWaalsContact CE-OG1 3.3Å; K713-T770 WeakPolarHBondContact CE-OG1 3.33Å; K713-T770 PolarHBondContact NZ-OG1 3.05Å |
| 714 | N | 96.1 | Very high | 96.9 | Very high | 77 Ų | 77 | 44.9 Ų | 44.9 | 41% | 0.412 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 179.5 | -71 | -23 | 0 | 0 | 0 | 112 | S710 E711 F716 L717 V718 | S710-N714 WeakPolarHBondContact O-CB 3.42Å; S710-N714 PolarHBondContact O-N 2.96Å; S710-N714 PolarHBondContact O-ND2 3.5Å; E711-N714 PolarHBondContact O-N 2.89Å; N714-F716 PolarHBondContact O-N 3.31Å; N714-L717 PolarHBondContact O-N 3.08Å; N714-V718 WeakPolarHBondContact O-CG2 3.33Å; N714-V718 PolarHBondContact O-N 2.95Å |
| 715 | L | 97.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.6 | -47.8 | 173.7 | 176.7 | 62.3 | 0 | 0 | 0 | 111.7 | C616 A620 I645 M648 E711 Q712 K713 V718 I719 | C616-L715 HydrophobicContact CB-CD1 3.86Å; C616-L715 HydrophobicContact CB-CD2 3.77Å; C616-L715 HydrophobicContact CB-CG 4.36Å; C616-L715 WeakPolarHBondContact O-CD1 2.98Å; A620-L715 HydrophobicContact CB-CD1 3.93Å; I645-L715 HydrophobicContact CG1-CD2 4.24Å; M648-L715 HydrophobicContact CB-CD2 3.76Å; M648-L715 HydrophobicContact CG-CD2 3.89Å; E711-L715 WeakPolarHBondContact O-CB 3.49Å; E711-L715 PolarHBondContact O-N 2.92Å; Q712-L715 WeakPolarHBondContact O-CB 3.29Å; Q712-L715 PolarHBondContact O-N 3.49Å; K713-L715 VanDerWaalsContact C-N 3.31Å; K713-L715 PolarHBondContact O-N 3.41Å; L715-V718 PolarHBondContact O-N 3.34Å; L715-I719 HydrophobicContact CD1-CD1 4Å; L715-I719 HydrophobicContact CD1-CG1 4.46Å; L715-I719 HydrophobicContact CG-CD1 3.97Å; L715-I719 WeakPolarHBondContact O-CD1 3.41Å; L715-I719 VanDerWaalsContact O-CG1 3.24Å; L715-I719 WeakPolarHBondContact O-CG1 3.32Å; L715-I719 PolarHBondContact O-N 3.13Å |
| 716 | F | 98 | Very high | 97.2 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -42.6 | 176.4 | -79.1 | -74.1 | 0 | 0 | 0 | 112.1 | I645 Q712 K713 N714 V718 I719 F720 I756 H760 T763 I764 Y767 | I645-F716 HydrophobicContact CG2-CE1 4.05Å; I645-F716 HydrophobicContact CG2-CE2 4.2Å; I645-F716 HydrophobicContact CG2-CZ 3.5Å; Q712-F716 HydrophobicContact CG-CD2 4.29Å; Q712-F716 HydrophobicContact CG-CE2 4.07Å; Q712-F716 VanDerWaalsContact O-CD2 3.26Å; Q712-F716 WeakPolarHBondContact O-CD2 2.88Å; Q712-F716 PolarHBondContact O-N 3.26Å; K713-F716 PolarHBondContact O-N 3.13Å; K713-F716 VanDerWaalsContact O-N 3.15Å; N714-F716 PolarHBondContact O-N 3.31Å; F716-V718 VanDerWaalsContact C-N 3.35Å; F716-V718 PolarHBondContact O-N 3.43Å; F716-I719 PolarHBondContact O-N 3.22Å; F716-F720 HydrophobicContact CB-CD2 4.29Å; F716-F720 HydrophobicContact CB-CE2 3.98Å; F716-F720 HydrophobicContact CD1-CE2 4.22Å; F716-F720 HydrophobicContact CD1-CZ 4.35Å; F716-F720 WeakPolarHBondContact O-CD2 3.46Å; F716-F720 WeakPolarHBondContact O-CG 3.3Å; F716-F720 PolarHBondContact O-N 3.09Å; F716-I756 HydrophobicContact CD1-CG2 4.12Å; F716-I756 HydrophobicContact CE1-CG2 4.04Å; F716-H760 HydrophobicContact CE1-CB 3.89Å; F716-H760 HydrophobicContact CZ-CB 3.76Å; F716-T763 HydrophobicContact CD2-CG2 4.46Å; F716-T763 HydrophobicContact CE2-CG2 3.67Å; F716-T763 HydrophobicContact CZ-CG2 4.26Å; F716-I764 HydrophobicContact CD1-CD1 4.18Å; F716-I764 HydrophobicContact CD1-CG1 3.92Å; F716-I764 HydrophobicContact CE1-CD1 3.86Å; F716-I764 HydrophobicContact CE1-CG1 3.76Å; F716-I764 HydrophobicContact CG-CG1 4.49Å; F716-I764 HydrophobicContact CZ-CG1 4.2Å; F716-Y767 HydrophobicContact CD2-CE2 4.08Å |
| 717 | L | 96.9 | Very high | 97.3 | Very high | 25 Ų | 25 | 39.5 Ų | 39.5 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.6 | -46 | 176.9 | -67.3 | 176.9 | 0 | 0 | 0 | 111.6 | K713 N714 I719 F720 Q721 T770 L771 L775 | K713-L717 HydrophobicContact CG-CD1 4.24Å; K713-L717 HydrophobicContact CG-CG 4.47Å; K713-L717 WeakPolarHBondContact O-CG 3.38Å; K713-L717 PolarHBondContact O-N 2.89Å; N714-L717 PolarHBondContact O-N 3.08Å; L717-I719 PolarHBondContact O-N 3.41Å; L717-F720 PolarHBondContact O-N 3.39Å; L717-Q721 WeakPolarHBondContact O-CB 3.32Å; L717-Q721 VanDerWaalsContact O-CG 3.23Å; L717-Q721 WeakPolarHBondContact O-CG 3.38Å; L717-Q721 PolarHBondContact O-N 2.91Å; L717-T770 HydrophobicContact CD2-CG2 4.14Å; L717-L771 HydrophobicContact CD2-CD2 3.96Å; L717-L775 HydrophobicContact CD2-CD1 3.56Å; L717-L775 HydrophobicContact CD2-CG 4.26Å |
| 718 | V | 97.2 | Very high | 97.4 | Very high | 27 Ų | 27 | 38.9 Ų | 38.9 | 16% | 0.164 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.5 | -47 | 176 | 169 | 0 | 0 | 0 | 0 | 110.7 | A620 N714 L715 F716 F720 Q721 R722 | A620-V718 HydrophobicContact CB-CG1 4.25Å; N714-V718 WeakPolarHBondContact O-CG2 3.33Å; N714-V718 PolarHBondContact O-N 2.95Å; L715-V718 PolarHBondContact O-N 3.34Å; F716-V718 VanDerWaalsContact C-N 3.35Å; F716-V718 PolarHBondContact O-N 3.43Å; V718-F720 PolarHBondContact O-N 3.16Å; V718-Q721 PolarHBondContact O-N 3.19Å; V718-R722 HydrophobicContact CG1-CG 4.49Å; V718-R722 VanDerWaalsContact O-CG 3.28Å; V718-R722 WeakPolarHBondContact O-CG 3.39Å; V718-R722 PolarHBondContact O-N 3.38Å |
| 719 | I | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 179.1 | -69 | 164.3 | 0 | 0 | 0 | 110.8 | A620 F624 L641 I645 L715 F716 L717 R722 F723 I756 | A620-I719 HydrophobicContact CB-CG1 3.98Å; F624-I719 HydrophobicContact CE2-CG2 4.42Å; F624-I719 HydrophobicContact CZ-CG2 4.4Å; L641-I719 HydrophobicContact CD1-CD1 3.9Å; L641-I719 HydrophobicContact CD1-CG1 4.15Å; I645-I719 HydrophobicContact CD1-CD1 3.77Å; I645-I719 HydrophobicContact CG1-CD1 3.88Å; L715-I719 HydrophobicContact CD1-CD1 4Å; L715-I719 HydrophobicContact CD1-CG1 4.46Å; L715-I719 HydrophobicContact CG-CD1 3.97Å; L715-I719 WeakPolarHBondContact O-CD1 3.41Å; L715-I719 VanDerWaalsContact O-CG1 3.24Å; L715-I719 WeakPolarHBondContact O-CG1 3.32Å; L715-I719 PolarHBondContact O-N 3.13Å; F716-I719 PolarHBondContact O-N 3.22Å; L717-I719 PolarHBondContact O-N 3.41Å; I719-R722 PolarHBondContact O-N 3.05Å; I719-F723 HydrophobicContact CG2-CD2 3.78Å; I719-F723 HydrophobicContact CG2-CE2 3.72Å; I719-F723 VanDerWaalsContact O-CD2 3.31Å; I719-F723 WeakPolarHBondContact O-CD2 3.39Å; I719-F723 PolarHBondContact O-N 3.43Å; I719-I756 HydrophobicContact CG2-CD1 4.36Å; I719-I756 HydrophobicContact CG2-CG1 4.12Å |
| 720 | F | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 180 | -67.9 | -48.5 | 0 | 0 | 0 | 112.4 | F716 L717 V718 R722 F723 I724 L753 I756 F757 I764 L771 L775 F776 | F716-F720 HydrophobicContact CB-CD2 4.29Å; F716-F720 HydrophobicContact CB-CE2 3.98Å; F716-F720 HydrophobicContact CD1-CE2 4.22Å; F716-F720 HydrophobicContact CD1-CZ 4.35Å; F716-F720 WeakPolarHBondContact O-CD2 3.46Å; F716-F720 WeakPolarHBondContact O-CG 3.3Å; F716-F720 PolarHBondContact O-N 3.09Å; L717-F720 PolarHBondContact O-N 3.39Å; V718-F720 PolarHBondContact O-N 3.16Å; F720-R722 VanDerWaalsContact C-N 3.31Å; F720-R722 PolarHBondContact O-N 2.79Å; F720-F723 PolarHBondContact O-N 3.26Å; F720-I724 WeakPolarHBondContact O-CB 3.26Å; F720-I724 VanDerWaalsContact O-CG1 3.24Å; F720-I724 WeakPolarHBondContact O-CG1 3.38Å; F720-I724 PolarHBondContact O-N 2.98Å; F720-L753 HydrophobicContact CD1-CD1 3.69Å; F720-L753 HydrophobicContact CE1-CD1 3.96Å; F720-I756 HydrophobicContact CE1-CB 4.35Å; F720-I756 HydrophobicContact CE1-CG2 3.8Å; F720-I756 HydrophobicContact CZ-CG2 3.91Å; F720-F757 HydrophobicContact CD1-CE2 4.41Å; F720-F757 HydrophobicContact CD1-CZ 4.14Å; F720-F757 HydrophobicContact CE1-CD1 4.38Å; F720-F757 HydrophobicContact CE1-CD2 4.31Å; F720-F757 AromaticContact CE1-CE1 3.8Å; F720-F757 HydrophobicContact CE1-CE1 3.8Å; F720-F757 AromaticContact CE1-CE2 3.73Å; F720-F757 HydrophobicContact CE1-CE2 3.73Å; F720-F757 AromaticContact CE1-CZ 3.43Å; F720-F757 HydrophobicContact CE1-CZ 3.43Å; F720-F757 VanDerWaalsContact CE1-CZ 3.43Å; F720-F757 HydrophobicContact CE2-CE1 4.42Å; F720-F757 HydrophobicContact CZ-CD1 4.14Å; F720-F757 AromaticContact CZ-CE1 3.57Å; F720-F757 HydrophobicContact CZ-CE1 3.57Å; F720-F757 HydrophobicContact CZ-CE2 4.36Å; F720-F757 AromaticContact CZ-CZ 3.69Å; F720-F757 HydrophobicContact CZ-CZ 3.69Å; F720-I764 HydrophobicContact CZ-CD1 4.01Å; F720-I764 HydrophobicContact CZ-CG1 4.4Å; F720-I764 HydrophobicContact CZ-CG2 4.36Å; F720-L771 HydrophobicContact CD2-CD2 3.65Å; F720-L771 HydrophobicContact CE2-CD1 4.04Å; F720-L771 HydrophobicContact CE2-CD2 3.89Å; F720-L775 HydrophobicContact CB-CD1 3.69Å; F720-L775 HydrophobicContact CD2-CD1 4.42Å; F720-F776 HydrophobicContact CB-CE2 4.2Å; F720-F776 HydrophobicContact CB-CZ 4.2Å; F720-F776 HydrophobicContact CD1-CE2 4.15Å; F720-F776 AromaticContact CD1-CZ 3.87Å; F720-F776 HydrophobicContact CD1-CZ 3.87Å; F720-F776 HydrophobicContact CD2-CE2 4.33Å; F720-F776 HydrophobicContact CE1-CZ 4.46Å; F720-F776 AromaticContact CG-CE2 3.99Å; F720-F776 HydrophobicContact CG-CE2 3.99Å; F720-F776 HydrophobicContact CG-CZ 4.08Å |
| 721 | Q | 97.8 | Very high | 97.7 | Very high | 104 Ų | 104 | 39.4 Ų | 39.4 | 49% | 0.486 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58 | -43.6 | 174.7 | -76.1 | 173 | -11.3 | 0 | 0 | 111.8 | L717 V718 I724 M725 L775 | L717-Q721 WeakPolarHBondContact O-CB 3.32Å; L717-Q721 VanDerWaalsContact O-CG 3.23Å; L717-Q721 WeakPolarHBondContact O-CG 3.38Å; L717-Q721 PolarHBondContact O-N 2.91Å; V718-Q721 PolarHBondContact O-N 3.19Å; Q721-I724 PolarHBondContact O-N 3.31Å; Q721-M725 VanDerWaalsContact O-CB 3.29Å; Q721-M725 WeakPolarHBondContact O-CB 3.38Å; Q721-M725 PolarHBondContact O-N 3.43Å; Q721-L775 HydrophobicContact CG-CD1 4.42Å; Q721-L775 HydrophobicContact CG-CD2 3.52Å |
| 722 | R | 98 | Very high | 97.8 | Very high | 85 Ų | 85 | 38.2 Ų | 38.2 | 32% | 0.321 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65 | -42.3 | 177.7 | -67 | -62.2 | -177.8 | -169.2 | -0.1 | 112.2 | N621 F624 V718 I719 F720 M725 M726 | N621-R722 VanDerWaalsContact OD1-CZ 3.31Å; N621-R722 PolarHBondContact OD1-NE 3.25Å; N621-R722 PolarHBondContact OD1-NH2 2.92Å; F624-R722 HydrophobicContact CB-CB 3.9Å; F624-R722 HydrophobicContact CB-CG 3.98Å; F624-R722 HydrophobicContact CD1-CB 3.78Å; F624-R722 HydrophobicContact CD2-CB 3.63Å; F624-R722 HydrophobicContact CD2-CG 3.91Å; F624-R722 HydrophobicContact CE1-CB 4.17Å; F624-R722 HydrophobicContact CE2-CB 4.08Å; F624-R722 HydrophobicContact CG-CB 3.5Å; F624-R722 VanDerWaalsContact CG-CB 3.5Å; F624-R722 HydrophobicContact CG-CG 3.97Å; F624-R722 HydrophobicContact CZ-CB 4.33Å; V718-R722 HydrophobicContact CG1-CG 4.49Å; V718-R722 VanDerWaalsContact O-CG 3.28Å; V718-R722 WeakPolarHBondContact O-CG 3.39Å; V718-R722 PolarHBondContact O-N 3.38Å; I719-R722 PolarHBondContact O-N 3.05Å; F720-R722 VanDerWaalsContact C-N 3.31Å; F720-R722 PolarHBondContact O-N 2.79Å; R722-M725 PolarHBondContact O-N 3.24Å; R722-M726 WeakPolarHBondContact O-CG 3.25Å; R722-M726 PolarHBondContact O-N 3.36Å |
| 723 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.4 | -49.9 | 173.7 | -87.3 | -64.9 | 0 | 0 | 0 | 112.5 | F624 F632 W638 I719 F720 M725 M726 L727 C749 R752 L753 I756 | F624-F723 HydrophobicContact CE1-CD1 4.12Å; F624-F723 HydrophobicContact CE1-CD2 4.19Å; F624-F723 HydrophobicContact CE1-CE1 4.07Å; F624-F723 HydrophobicContact CE1-CE2 4.15Å; F624-F723 HydrophobicContact CE1-CG 4.19Å; F624-F723 HydrophobicContact CE1-CZ 4.1Å; F624-F723 AromaticContact CZ-CD2 3.84Å; F624-F723 HydrophobicContact CZ-CD2 3.84Å; F624-F723 HydrophobicContact CZ-CE1 4.33Å; F624-F723 AromaticContact CZ-CE2 3.62Å; F624-F723 HydrophobicContact CZ-CE2 3.62Å; F624-F723 HydrophobicContact CZ-CG 4.3Å; F624-F723 AromaticContact CZ-CZ 3.9Å; F624-F723 HydrophobicContact CZ-CZ 3.9Å; F632-F723 HydrophobicContact CZ-CE1 4.49Å; W638-F723 AromaticContact CH2-CE1 3.8Å; W638-F723 HydrophobicContact CH2-CE1 3.8Å; W638-F723 AromaticContact CH2-CZ 3.56Å; W638-F723 HydrophobicContact CH2-CZ 3.56Å; W638-F723 HydrophobicContact CZ3-CE1 4.19Å; W638-F723 HydrophobicContact CZ3-CE2 4.3Å; W638-F723 AromaticContact CZ3-CZ 3.46Å; W638-F723 HydrophobicContact CZ3-CZ 3.46Å; W638-F723 VanDerWaalsContact CZ3-CZ 3.46Å; I719-F723 HydrophobicContact CG2-CD2 3.78Å; I719-F723 HydrophobicContact CG2-CE2 3.72Å; I719-F723 VanDerWaalsContact O-CD2 3.31Å; I719-F723 WeakPolarHBondContact O-CD2 3.39Å; I719-F723 PolarHBondContact O-N 3.43Å; F720-F723 PolarHBondContact O-N 3.26Å; F723-M725 VanDerWaalsContact C-N 3.29Å; F723-M725 PolarHBondContact O-N 3.49Å; F723-M726 PolarHBondContact O-N 3.07Å; F723-L727 HydrophobicContact CB-CD1 4.46Å; F723-L727 VanDerWaalsContact O-CB 3.3Å; F723-L727 WeakPolarHBondContact O-CB 3.36Å; F723-L727 WeakPolarHBondContact O-CG 3.31Å; F723-L727 PolarHBondContact O-N 2.68Å; F723-C749 WeakPolarHBondContact CE1-O 3.27Å; F723-R752 HydrophobicContact CE1-CB 4.03Å; F723-R752 HydrophobicContact CZ-CB 3.89Å; F723-L753 HydrophobicContact CB-CD1 4Å; F723-L753 HydrophobicContact CD1-CB 3.93Å; F723-L753 HydrophobicContact CD2-CB 4.35Å; F723-L753 HydrophobicContact CD2-CD1 3.91Å; F723-L753 HydrophobicContact CE1-CB 4.1Å; F723-L753 HydrophobicContact CG-CB 4.05Å; F723-L753 HydrophobicContact CG-CD1 3.99Å; F723-L753 HydrophobicContact CZ-CB 4.37Å; F723-I756 HydrophobicContact CE2-CG1 3.8Å; F723-I756 HydrophobicContact CZ-CG1 4.45Å |
| 724 | I | 98.4 | Very high | 97.8 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 13% | 0.128 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.6 | -47.5 | 179.3 | -70.5 | 166.8 | 0 | 0 | 0 | 109.8 | F720 Q721 T728 L775 F776 L780 I784 | F720-I724 WeakPolarHBondContact O-CB 3.26Å; F720-I724 VanDerWaalsContact O-CG1 3.24Å; F720-I724 WeakPolarHBondContact O-CG1 3.38Å; F720-I724 PolarHBondContact O-N 2.98Å; Q721-I724 PolarHBondContact O-N 3.31Å; I724-T728 WeakPolarHBondContact O-CB 3.49Å; I724-T728 PolarHBondContact O-N 3.03Å; I724-T728 PolarHBondContact O-OG1 3.42Å; I724-L775 HydrophobicContact CD1-CB 4.01Å; I724-F776 HydrophobicContact CD1-CD1 4.45Å; I724-F776 HydrophobicContact CD1-CE1 4.1Å; I724-F776 HydrophobicContact CD1-CZ 4.17Å; I724-F776 HydrophobicContact CG1-CE1 4.3Å; I724-L780 HydrophobicContact CB-CD1 4.4Å; I724-L780 HydrophobicContact CD1-CD1 3.82Å; I724-L780 HydrophobicContact CG1-CD1 3.91Å; I724-L780 HydrophobicContact CG2-CD1 3.6Å; I724-I784 HydrophobicContact CG1-CG2 4.25Å |
| 725 | M | 97.9 | Very high | 97.7 | Very high | 91 Ų | 91 | 45.9 Ų | 45.9 | 45% | 0.448 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.7 | -52.2 | 179.8 | -174 | -172 | 77.7 | 0 | 0 | 111.9 | Q721 R722 F723 T728 E729 | Q721-M725 VanDerWaalsContact O-CB 3.29Å; Q721-M725 WeakPolarHBondContact O-CB 3.38Å; Q721-M725 PolarHBondContact O-N 3.43Å; R722-M725 PolarHBondContact O-N 3.24Å; F723-M725 VanDerWaalsContact C-N 3.29Å; F723-M725 PolarHBondContact O-N 3.49Å; M725-T728 PolarHBondContact O-N 3.09Å; M725-E729 WeakPolarHBondContact O-CB 3.44Å; M725-E729 PolarHBondContact O-N 2.82Å |
| 726 | M | 98 | Very high | 97.7 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 15% | 0.148 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.5 | -39.5 | -177.7 | -69.5 | -176.3 | 81.6 | 0 | 0 | 113.1 | F624 F632 R722 F723 H730 W745 | F624-M726 HydrophobicContact CB-SD 4.43Å; F624-M726 HydrophobicContact CD1-SD 3.62Å; F624-M726 HydrophobicContact CE1-SD 4.44Å; F632-M726 HydrophobicContact CE2-CE 4.38Å; F632-M726 HydrophobicContact CE2-SD 4.23Å; F632-M726 HydrophobicContact CZ-CE 4.36Å; F632-M726 HydrophobicContact CZ-SD 4.25Å; R722-M726 WeakPolarHBondContact O-CG 3.25Å; R722-M726 PolarHBondContact O-N 3.36Å; F723-M726 PolarHBondContact O-N 3.07Å; M726-H730 WeakPolarHBondContact O-CB 3.37Å; M726-H730 PolarHBondContact O-N 3.03Å; M726-W745 HydrophobicContact CB-CH2 4.39Å; M726-W745 HydrophobicContact CE-CZ2 3.94Å |
| 727 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 177.6 | -73 | 164.7 | 0 | 0 | 0 | 110.9 | F723 H730 L731 Y746 C749 I750 L753 I784 | F723-L727 HydrophobicContact CB-CD1 4.46Å; F723-L727 VanDerWaalsContact O-CB 3.3Å; F723-L727 WeakPolarHBondContact O-CB 3.36Å; F723-L727 WeakPolarHBondContact O-CG 3.31Å; F723-L727 PolarHBondContact O-N 2.68Å; L727-H730 PolarHBondContact O-N 3.14Å; L727-L731 WeakPolarHBondContact O-CB 3.49Å; L727-L731 WeakPolarHBondContact O-CD1 3.38Å; L727-L731 VanDerWaalsContact O-CG 3.24Å; L727-L731 WeakPolarHBondContact O-CG 3.44Å; L727-L731 PolarHBondContact O-N 3.5Å; L727-Y746 HydrophobicContact CD2-CD2 3.98Å; L727-Y746 HydrophobicContact CD2-CE2 3.89Å; L727-C749 HydrophobicContact CD2-CB 3.9Å; L727-I750 HydrophobicContact CD1-CD1 3.75Å; L727-I750 HydrophobicContact CD2-CB 4.31Å; L727-I750 HydrophobicContact CD2-CD1 4.18Å; L727-L753 HydrophobicContact CD1-CD2 3.88Å; L727-I784 HydrophobicContact CB-CD1 3.49Å; L727-I784 VanDerWaalsContact CB-CD1 3.49Å; L727-I784 HydrophobicContact CB-CG1 3.82Å; L727-I784 HydrophobicContact CD1-CG1 4.14Å; L727-I784 HydrophobicContact CD1-CG2 4.26Å |
| 728 | T | 98.1 | Very high | 97.3 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 176.3 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | I724 M725 H730 L731 V732 | I724-T728 WeakPolarHBondContact O-CB 3.49Å; I724-T728 PolarHBondContact O-N 3.03Å; I724-T728 PolarHBondContact O-OG1 3.42Å; M725-T728 PolarHBondContact O-N 3.09Å; T728-H730 VanDerWaalsContact C-N 3.29Å; T728-H730 PolarHBondContact O-N 2.63Å; T728-L731 PolarHBondContact O-N 2.78Å; T728-V732 HydrophobicContact CG2-CG2 4.14Å; T728-V732 WeakPolarHBondContact O-CB 3.47Å; T728-V732 VanDerWaalsContact O-CG2 3.28Å; T728-V732 WeakPolarHBondContact O-CG2 3.44Å; T728-V732 PolarHBondContact O-N 2.74Å |
| 729 | E | 97.6 | Very high | 97.3 | Very high | 114 Ų | 114 | 60.6 Ų | 60.6 | 53% | 0.533 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.7 | -44.7 | 176 | -173.6 | -169.9 | 154.1 | 0 | 0 | 111.4 | M725 R733 | M725-E729 WeakPolarHBondContact O-CB 3.44Å; M725-E729 PolarHBondContact O-N 2.82Å; E729-R733 WeakPolarHBondContact O-CB 3.38Å; E729-R733 PolarHBondContact O-N 3.2Å |
| 730 | H | 97.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.028 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.5 | -49.2 | 177.1 | -179.5 | 90 | 0 | 0 | 0 | 112.5 | M726 L727 T728 R733 C734 F741 T743 W745 Y746 | M726-H730 WeakPolarHBondContact O-CB 3.37Å; M726-H730 PolarHBondContact O-N 3.03Å; L727-H730 PolarHBondContact O-N 3.14Å; T728-H730 VanDerWaalsContact C-N 3.29Å; T728-H730 PolarHBondContact O-N 2.63Å; H730-R733 PolarHBondContact ND1-NH2 3.14Å; H730-R733 PolarHBondContact O-N 3.24Å; H730-C734 WeakPolarHBondContact O-CB 3.29Å; H730-C734 PolarHBondContact O-N 2.99Å; H730-C734 PolarHBondContact O-SG 2.89Å; H730-C734 VanDerWaalsContact O-SG 3.35Å; H730-F741 PolarHBondContact NE2-O 3.23Å; H730-T743 PolarHBondContact CE1-OG1 2.89Å; H730-W745 HydrophobicContact CB-CE3 4.37Å; H730-W745 HydrophobicContact CB-CH2 3.87Å; H730-W745 HydrophobicContact CB-CZ3 3.4Å; H730-W745 VanDerWaalsContact CB-CZ3 3.4Å; H730-W745 AromaticContact CE1-CE3 3.73Å; H730-W745 AromaticContact CG-CE3 3.84Å; H730-W745 AromaticContact CG-CZ3 3.31Å; H730-W745 AromaticContact ND1-CE3 3.35Å; H730-W745 AromaticContact ND1-CZ3 3.29Å; H730-W745 VanDerWaalsContact ND1-CZ3 3.29Å; H730-W745 WeakPolarHBondContact ND1-CZ3 3.43Å; H730-Y746 AromaticContact CD2-CD2 3.71Å |
| 731 | L | 97.8 | Very high | 96.9 | Very high | 15 Ų | 15 | 69.1 Ų | 69.1 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.4 | -47.6 | -178 | -71.1 | 165.2 | 0 | 0 | 0 | 111 | L727 T728 R733 C734 E735 F741 Y746 D781 H783 I784 | L727-L731 WeakPolarHBondContact O-CB 3.49Å; L727-L731 WeakPolarHBondContact O-CD1 3.38Å; L727-L731 VanDerWaalsContact O-CG 3.24Å; L727-L731 WeakPolarHBondContact O-CG 3.44Å; L727-L731 PolarHBondContact O-N 3.5Å; T728-L731 PolarHBondContact O-N 2.78Å; L731-R733 VanDerWaalsContact C-N 3.34Å; L731-R733 PolarHBondContact O-N 3.35Å; L731-C734 PolarHBondContact O-N 3.17Å; L731-E735 WeakPolarHBondContact O-CB 3.38Å; L731-E735 PolarHBondContact O-N 2.82Å; L731-F741 HydrophobicContact CD2-CB 4.03Å; L731-F741 HydrophobicContact CD2-CD2 4.06Å; L731-F741 HydrophobicContact CD2-CG 4.06Å; L731-Y746 HydrophobicContact CD2-CE2 3.96Å; L731-Y746 HydrophobicContact CG-CE2 4.31Å; L731-D781 HydrophobicContact CD1-CB 4.08Å; L731-H783 HydrophobicContact CD1-CB 4.49Å; L731-I784 HydrophobicContact CD1-CD1 4.11Å; L731-I784 HydrophobicContact CD1-CG1 4.1Å |
| 732 | V | 97.6 | Very high | 96.8 | Very high | 76 Ų | 76 | 68 Ų | 68 | 46% | 0.461 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | T728 E735 T736 | T728-V732 HydrophobicContact CG2-CG2 4.14Å; T728-V732 WeakPolarHBondContact O-CB 3.47Å; T728-V732 VanDerWaalsContact O-CG2 3.28Å; T728-V732 WeakPolarHBondContact O-CG2 3.44Å; T728-V732 PolarHBondContact O-N 2.74Å; V732-E735 PolarHBondContact O-N 3.42Å; V732-T736 VanDerWaalsContact O-CB 3.28Å; V732-T736 WeakPolarHBondContact O-CB 3.13Å; V732-T736 PolarHBondContact O-N 3.32Å; V732-T736 PolarHBondContact O-OG1 3.07Å |
| 733 | R | 97.1 | Very high | 96.7 | Very high | 145 Ų | 145 | 66 Ų | 66 | 55% | 0.547 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.6 | -176.4 | -178.4 | 68 | -163.6 | 2.2 | 111.7 | E729 H730 L731 G737 | E729-R733 WeakPolarHBondContact O-CB 3.38Å; E729-R733 PolarHBondContact O-N 3.2Å; H730-R733 PolarHBondContact ND1-NH2 3.14Å; H730-R733 PolarHBondContact O-N 3.24Å; L731-R733 VanDerWaalsContact C-N 3.34Å; L731-R733 PolarHBondContact O-N 3.35Å; R733-G737 PolarHBondContact O-N 3.39Å |
| 734 | C | 96.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 68.3 Ų | 68.3 | 5% | 0.047 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.6 | -42 | 178.8 | -73.3 | 0 | 0 | 0 | 0 | 112.1 | H730 L731 G737 S738 V739 F741 | H730-C734 WeakPolarHBondContact O-CB 3.29Å; H730-C734 PolarHBondContact O-N 2.99Å; H730-C734 PolarHBondContact O-SG 2.89Å; H730-C734 VanDerWaalsContact O-SG 3.35Å; L731-C734 PolarHBondContact O-N 3.17Å; C734-G737 CarbonylContact O-C 3.45Å; C734-G737 PolarHBondContact O-N 2.99Å; C734-S738 PolarHBondContact O-N 3.3Å; C734-V739 HydrophobicContact CB-CG2 3.98Å; C734-V739 PolarHBondContact O-N 3.44Å; C734-F741 HydrophobicContact CB-CB 3.95Å |
| 735 | E | 95.3 | Very high | 96.6 | Very high | 156 Ų | 156 | 70.1 Ų | 70.1 | 73% | 0.729 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.2 | -50.2 | 174.1 | -174.8 | 175.6 | -159.9 | 0 | 0 | 111.2 | L731 V732 G737 S738 | L731-E735 WeakPolarHBondContact O-CB 3.38Å; L731-E735 PolarHBondContact O-N 2.82Å; V732-E735 PolarHBondContact O-N 3.42Å; E735-G737 VanDerWaalsContact C-N 3.29Å; E735-G737 PolarHBondContact O-N 2.96Å; E735-S738 PolarHBondContact O-N 3.35Å; E735-S738 VanDerWaalsContact O-N 3.14Å |
| 736 | T | 96.3 | Very high | 96.6 | Very high | 113 Ų | 113 | 66.6 Ų | 66.6 | 69% | 0.693 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.3 | -38.5 | 177.9 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | V732 S738 | V732-T736 VanDerWaalsContact O-CB 3.28Å; V732-T736 WeakPolarHBondContact O-CB 3.13Å; V732-T736 PolarHBondContact O-N 3.32Å; V732-T736 PolarHBondContact O-OG1 3.07Å; T736-S738 VanDerWaalsContact C-N 3.34Å |
| 737 | G | 95.1 | Very high | 96.6 | Very high | 48 Ų | 48 | 67.3 Ų | 67.3 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -80.8 | -7.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | R733 C734 E735 V739 | R733-G737 PolarHBondContact O-N 3.39Å; C734-G737 CarbonylContact O-C 3.45Å; C734-G737 PolarHBondContact O-N 2.99Å; E735-G737 VanDerWaalsContact C-N 3.29Å; E735-G737 PolarHBondContact O-N 2.96Å; G737-V739 PolarHBondContact O-N 3.41Å |
| 738 | S | 93.4 | Very high | 96.5 | Very high | 117 Ų | 117 | 67.8 Ų | 67.8 | 82% | 0.818 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 39.2 | -170.5 | -59 | 0 | 0 | 0 | 0 | 113.3 | C734 E735 T736 | C734-S738 PolarHBondContact O-N 3.3Å; E735-S738 PolarHBondContact O-N 3.35Å; E735-S738 VanDerWaalsContact O-N 3.14Å; T736-S738 VanDerWaalsContact C-N 3.34Å |
| 739 | V | 95.6 | Very high | 96.5 | Very high | 88 Ų | 88 | 65.4 Ų | 65.4 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | trans | -111.9 | 152.5 | 177.3 | -66.5 | 0 | 0 | 0 | 0 | 110.4 | C734 G737 F741 | C734-V739 HydrophobicContact CB-CG2 3.98Å; C734-V739 PolarHBondContact O-N 3.44Å; G737-V739 PolarHBondContact O-N 3.41Å; V739-F741 PolarHBondContact O-N 3.14Å | ||
| 740 | D | 94.8 | Very high | 96.6 | Very high | 111 Ų | 111 | 61.1 Ų | 61.1 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | trans | -62.1 | 127.9 | 177 | -174.1 | 8.3 | 0 | 0 | 0 | 110.7 | S742 | D740-S742 VanDerWaalsContact C-N 3.28Å; D740-S742 VanDerWaalsContact OD1-CB 3.3Å; D740-S742 WeakPolarHBondContact OD1-CB 3.36Å; D740-S742 PolarHBondContact OD1-N 3.18Å | ||
| 741 | F | 95.6 | Very high | 96.6 | Very high | 70 Ų | 70 | 61.9 Ų | 61.9 | 31% | 0.307 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -76 | -18.8 | 175.5 | 71.8 | -92.8 | 0 | 0 | 0 | 112.1 | H730 L731 C734 V739 T743 Y746 H783 | H730-F741 PolarHBondContact NE2-O 3.23Å; L731-F741 HydrophobicContact CD2-CB 4.03Å; L731-F741 HydrophobicContact CD2-CD2 4.06Å; L731-F741 HydrophobicContact CD2-CG 4.06Å; C734-F741 HydrophobicContact CB-CB 3.95Å; V739-F741 PolarHBondContact O-N 3.14Å; F741-T743 PolarHBondContact O-N 2.99Å; F741-Y746 AromaticContact CD2-CD1 3.98Å; F741-Y746 HydrophobicContact CD2-CD1 3.98Å; F741-Y746 AromaticContact CD2-CE1 3.7Å; F741-Y746 HydrophobicContact CD2-CE1 3.7Å; F741-Y746 HydrophobicContact CD2-CE2 4.25Å; F741-Y746 HydrophobicContact CD2-CG 4.38Å; F741-Y746 AromaticContact CD2-CZ 3.84Å; F741-Y746 HydrophobicContact CE2-CD1 4.34Å; F741-Y746 AromaticContact CE2-CE1 3.73Å; F741-Y746 HydrophobicContact CE2-CE1 3.73Å; F741-Y746 AromaticContact CE2-CZ 3.99Å; F741-Y746 WeakPolarHBondContact O-CB 3.46Å; F741-H783 AromaticContact CE1-NE2 3.91Å; F741-H783 AromaticContact CE2-CD2 4Å; F741-H783 AromaticContact CE2-NE2 3.76Å; F741-H783 AromaticContact CZ-CD2 3.98Å; F741-H783 AromaticContact CZ-NE2 3.31Å; F741-H783 VanDerWaalsContact CZ-NE2 3.31Å; F741-H783 WeakPolarHBondContact CZ-NE2 3.12Å |
| 742 | S | 95.1 | Very high | 96.7 | Very high | 80 Ų | 80 | 61.4 Ų | 61.4 | 56% | 0.559 | 34% | 0.341 | S | S | * | . | trans | -74.8 | 64.2 | -177.8 | -164.3 | 0 | 0 | 0 | 0 | 112.3 | D740 | D740-S742 VanDerWaalsContact C-N 3.28Å; D740-S742 VanDerWaalsContact OD1-CB 3.3Å; D740-S742 WeakPolarHBondContact OD1-CB 3.36Å; D740-S742 PolarHBondContact OD1-N 3.18Å | ||
| 743 | T | 96.3 | Very high | 96.7 | Very high | 43 Ų | 43 | 57.8 Ų | 57.8 | 26% | 0.264 | 32% | 0.319 | S | S | . | . | trans | -92.8 | 157.8 | 178.6 | 64.4 | 0 | 0 | 0 | 0 | 111.1 | H730 F741 W745 Y746 K747 | H730-T743 PolarHBondContact CE1-OG1 2.89Å; F741-T743 PolarHBondContact O-N 2.99Å; T743-W745 PolarHBondContact O-N 3.48Å; T743-Y746 PolarHBondContact O-N 3.43Å; T743-Y746 VanDerWaalsContact O-N 3.08Å; T743-Y746 WeakPolarHBondContact OG1-CB 3.41Å; T743-Y746 PolarHBondContact OG1-N 3.17Å; T743-Y746 VanDerWaalsContact OG1-N 3.08Å; T743-K747 PolarHBondContact O-N 3.26Å | ||
| 744 | P | 95.9 | Very high | 96.8 | Very high | 48 Ų | 48 | 51.4 Ų | 51.4 | 31% | 0.312 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57 | -35.9 | 172.7 | -24.1 | 33.9 | 0 | 0 | 0 | 113 | D442 K443 N748 | D442-P744 HydrophobicContact CB-CB 4.22Å; D442-P744 WeakPolarHBondContact O-CB 3.32Å; K443-P744 HydrophobicContact CD-CG 4.23Å; P744-N748 PolarHBondContact O-N 3.33Å; P744-N748 VanDerWaalsContact O-N 3.08Å |
| 745 | W | 97.3 | Very high | 96.9 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 24% | 0.239 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 173.7 | 177.3 | 91.9 | 0 | 0 | 0 | 111.7 | F632 M726 H730 T743 N748 C749 | F632-W745 AromaticContact CD1-NE1 3.64Å; F632-W745 HydrophobicContact CE1-CZ2 4.42Å; M726-W745 HydrophobicContact CB-CH2 4.39Å; M726-W745 HydrophobicContact CE-CZ2 3.94Å; H730-W745 HydrophobicContact CB-CE3 4.37Å; H730-W745 HydrophobicContact CB-CH2 3.87Å; H730-W745 HydrophobicContact CB-CZ3 3.4Å; H730-W745 VanDerWaalsContact CB-CZ3 3.4Å; H730-W745 AromaticContact CE1-CE3 3.73Å; H730-W745 AromaticContact CG-CE3 3.84Å; H730-W745 AromaticContact CG-CZ3 3.31Å; H730-W745 AromaticContact ND1-CE3 3.35Å; H730-W745 AromaticContact ND1-CZ3 3.29Å; H730-W745 VanDerWaalsContact ND1-CZ3 3.29Å; H730-W745 WeakPolarHBondContact ND1-CZ3 3.43Å; T743-W745 PolarHBondContact O-N 3.48Å; W745-N748 PolarHBondContact O-N 2.86Å; W745-C749 HydrophobicContact CE3-CB 4.44Å; W745-C749 HydrophobicContact CH2-CB 4.16Å; W745-C749 HydrophobicContact CZ2-CB 4.27Å; W745-C749 HydrophobicContact CZ3-CB 4.22Å; W745-C749 WeakPolarHBondContact O-CB 3.37Å; W745-C749 PolarHBondContact O-N 3.5Å |
| 746 | Y | 98.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 44 Ų | 44 | 7% | 0.071 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 179.2 | 175.5 | -96.9 | 0 | 0 | 0 | 111.2 | L727 H730 L731 F741 T743 N748 C749 I750 H783 | L727-Y746 HydrophobicContact CD2-CD2 3.98Å; L727-Y746 HydrophobicContact CD2-CE2 3.89Å; H730-Y746 AromaticContact CD2-CD2 3.71Å; L731-Y746 HydrophobicContact CD2-CE2 3.96Å; L731-Y746 HydrophobicContact CG-CE2 4.31Å; F741-Y746 AromaticContact CD2-CD1 3.98Å; F741-Y746 HydrophobicContact CD2-CD1 3.98Å; F741-Y746 AromaticContact CD2-CE1 3.7Å; F741-Y746 HydrophobicContact CD2-CE1 3.7Å; F741-Y746 HydrophobicContact CD2-CE2 4.25Å; F741-Y746 HydrophobicContact CD2-CG 4.38Å; F741-Y746 AromaticContact CD2-CZ 3.84Å; F741-Y746 HydrophobicContact CE2-CD1 4.34Å; F741-Y746 AromaticContact CE2-CE1 3.73Å; F741-Y746 HydrophobicContact CE2-CE1 3.73Å; F741-Y746 AromaticContact CE2-CZ 3.99Å; F741-Y746 WeakPolarHBondContact O-CB 3.46Å; T743-Y746 PolarHBondContact O-N 3.43Å; T743-Y746 VanDerWaalsContact O-N 3.08Å; T743-Y746 WeakPolarHBondContact OG1-CB 3.41Å; T743-Y746 PolarHBondContact OG1-N 3.17Å; T743-Y746 VanDerWaalsContact OG1-N 3.08Å; Y746-N748 VanDerWaalsContact C-N 3.33Å; Y746-N748 PolarHBondContact O-N 2.94Å; Y746-C749 PolarHBondContact O-N 2.99Å; Y746-C749 VanDerWaalsContact O-N 3.09Å; Y746-I750 HydrophobicContact CD1-CG2 4.39Å; Y746-I750 HydrophobicContact CE1-CB 4.42Å; Y746-I750 HydrophobicContact CE1-CG2 4.09Å; Y746-I750 WeakPolarHBondContact O-CG2 3.35Å; Y746-I750 PolarHBondContact O-N 3.44Å; Y746-H783 VanDerWaalsContact OH-CB 3.29Å; Y746-H783 WeakPolarHBondContact OH-CB 3.28Å |
| 747 | K | 97.6 | Very high | 97.2 | Very high | 44 Ų | 44 | 38.6 Ų | 38.6 | 19% | 0.191 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -52.4 | -50.5 | 174.3 | 176 | 177.4 | 164.3 | 66 | 0 | 111.2 | M405 T743 E751 | M405-K747 PolarHBondContact O-NZ 3.46Å; T743-K747 PolarHBondContact O-N 3.26Å; K747-E751 IonicContact NZ-OE1 3.72Å; K747-E751 PolarHBondContact NZ-OE1 3.13Å; K747-E751 IonicContact NZ-OE2 2.65Å; K747-E751 PolarHBondContact NZ-OE2 2.63Å; K747-E751 VanDerWaalsContact O-CB 3.27Å; K747-E751 WeakPolarHBondContact O-CB 3.46Å; K747-E751 VanDerWaalsContact O-CG 3.27Å; K747-E751 WeakPolarHBondContact O-CG 3.41Å; K747-E751 PolarHBondContact O-N 2.85Å; K747-E751 VanDerWaalsContact O-N 3.1Å |
| 748 | N | 97.8 | Very high | 97.3 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.6 | -48.7 | 176.3 | 177.3 | 87.8 | 0 | 0 | 0 | 111 | T633 P744 W745 Y746 I750 E751 R752 | T633-N748 HydrophobicContact CG2-CB 4.28Å; P744-N748 PolarHBondContact O-N 3.33Å; P744-N748 VanDerWaalsContact O-N 3.08Å; W745-N748 PolarHBondContact O-N 2.86Å; Y746-N748 VanDerWaalsContact C-N 3.33Å; Y746-N748 PolarHBondContact O-N 2.94Å; N748-I750 PolarHBondContact O-N 3.38Å; N748-E751 PolarHBondContact O-N 3.48Å; N748-R752 VanDerWaalsContact O-CB 3.3Å; N748-R752 WeakPolarHBondContact O-CB 3.38Å; N748-R752 WeakPolarHBondContact O-CG 3.45Å; N748-R752 PolarHBondContact O-N 3.39Å; N748-R752 PolarHBondContact OD1-NE 3.27Å |
| 749 | C | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | -175.9 | -164.9 | 0 | 0 | 0 | 0 | 112.7 | F632 F723 L727 W745 Y746 R752 L753 | F632-C749 HydrophobicContact CE1-CB 4.09Å; F723-C749 WeakPolarHBondContact CE1-O 3.27Å; L727-C749 HydrophobicContact CD2-CB 3.9Å; W745-C749 HydrophobicContact CE3-CB 4.44Å; W745-C749 HydrophobicContact CH2-CB 4.16Å; W745-C749 HydrophobicContact CZ2-CB 4.27Å; W745-C749 HydrophobicContact CZ3-CB 4.22Å; W745-C749 WeakPolarHBondContact O-CB 3.37Å; W745-C749 PolarHBondContact O-N 3.5Å; Y746-C749 PolarHBondContact O-N 2.99Å; Y746-C749 VanDerWaalsContact O-N 3.09Å; C749-R752 PolarHBondContact O-N 3.21Å; C749-L753 PolarHBondContact O-N 3.32Å; C749-L753 VanDerWaalsContact O-N 3.07Å |
| 750 | I | 98.7 | Very high | 97.6 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.3 | -38.1 | -178.6 | -162 | 67.3 | 0 | 0 | 0 | 112 | L727 Y746 N748 R752 L753 Q754 V787 | L727-I750 HydrophobicContact CD1-CD1 3.75Å; L727-I750 HydrophobicContact CD2-CB 4.31Å; L727-I750 HydrophobicContact CD2-CD1 4.18Å; Y746-I750 HydrophobicContact CD1-CG2 4.39Å; Y746-I750 HydrophobicContact CE1-CB 4.42Å; Y746-I750 HydrophobicContact CE1-CG2 4.09Å; Y746-I750 WeakPolarHBondContact O-CG2 3.35Å; Y746-I750 PolarHBondContact O-N 3.44Å; N748-I750 PolarHBondContact O-N 3.38Å; I750-R752 VanDerWaalsContact C-N 3.34Å; I750-L753 HydrophobicContact CD1-CD2 4.32Å; I750-L753 WeakPolarHBondContact O-CB 3.47Å; I750-L753 PolarHBondContact O-N 3.48Å; I750-Q754 PolarHBondContact O-N 2.89Å; I750-V787 HydrophobicContact CD1-CG2 3.64Å; I750-V787 HydrophobicContact CG1-CG2 3.82Å |
| 751 | E | 98.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 27.1 Ų | 27.1 | 10% | 0.103 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.8 | -25.6 | 177 | -68.8 | 177.7 | -178.4 | 0 | 0 | 112.2 | T407 K747 N748 Q754 Q755 | T407-E751 VanDerWaalsContact CB-OE2 3.22Å; T407-E751 WeakPolarHBondContact CB-OE2 3.42Å; T407-E751 PolarHBondContact N-OE2 3.34Å; T407-E751 PolarHBondContact OG1-OE2 2.66Å; K747-E751 IonicContact NZ-OE1 3.72Å; K747-E751 PolarHBondContact NZ-OE1 3.13Å; K747-E751 IonicContact NZ-OE2 2.65Å; K747-E751 PolarHBondContact NZ-OE2 2.63Å; K747-E751 VanDerWaalsContact O-CB 3.27Å; K747-E751 WeakPolarHBondContact O-CB 3.46Å; K747-E751 VanDerWaalsContact O-CG 3.27Å; K747-E751 WeakPolarHBondContact O-CG 3.41Å; K747-E751 PolarHBondContact O-N 2.85Å; K747-E751 VanDerWaalsContact O-N 3.1Å; N748-E751 PolarHBondContact O-N 3.48Å; E751-Q754 WeakPolarHBondContact O-CB 3.44Å; E751-Q754 PolarHBondContact O-N 2.9Å; E751-Q755 WeakPolarHBondContact O-CB 3.44Å; E751-Q755 PolarHBondContact O-N 3.14Å |
| 752 | R | 98.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.9 | -36.5 | 170.9 | -67.8 | -69 | -175 | -173.4 | -7.4 | 112.1 | T407 D411 W638 F723 N748 C749 I750 Q754 Q755 I756 | T407-R752 HydrophobicContact CG2-CG 4.49Å; T407-R752 VanDerWaalsContact CG2-NE 3.33Å; T407-R752 VanDerWaalsContact CG2-NH2 3.29Å; D411-R752 IonicContact OD1-CZ 3.77Å; D411-R752 IonicContact OD1-NH1 2.87Å; D411-R752 IonicContact OD1-NH2 3.63Å; D411-R752 PolarHBondContact OD1-NH2 3.28Å; D411-R752 IonicContact OD2-CZ 3.21Å; D411-R752 IonicContact OD2-NH1 3.77Å; D411-R752 PolarHBondContact OD2-NH1 2.88Å; D411-R752 IonicContact OD2-NH2 3.6Å; D411-R752 PolarHBondContact OD2-NH2 2.95Å; W638-R752 HydrophobicContact CD2-CB 4.18Å; W638-R752 HydrophobicContact CD2-CG 3.74Å; W638-R752 VanDerWaalsContact CE2-CG 3.47Å; W638-R752 HydrophobicContact CE3-CB 4.02Å; W638-R752 HydrophobicContact CE3-CG 4.1Å; W638-R752 HydrophobicContact CG-CG 4.32Å; W638-R752 VanDerWaalsContact CG-CZ 3.44Å; W638-R752 VanDerWaalsContact CG-NE 3.32Å; W638-R752 HydrophobicContact CH2-CB 3.65Å; W638-R752 HydrophobicContact CH2-CG 3.99Å; W638-R752 HydrophobicContact CZ2-CB 3.82Å; W638-R752 HydrophobicContact CZ2-CG 3.61Å; W638-R752 HydrophobicContact CZ3-CB 3.77Å; W638-R752 HydrophobicContact CZ3-CG 4.24Å; F723-R752 HydrophobicContact CE1-CB 4.03Å; F723-R752 HydrophobicContact CZ-CB 3.89Å; N748-R752 VanDerWaalsContact O-CB 3.3Å; N748-R752 WeakPolarHBondContact O-CB 3.38Å; N748-R752 WeakPolarHBondContact O-CG 3.45Å; N748-R752 PolarHBondContact O-N 3.39Å; N748-R752 PolarHBondContact OD1-NE 3.27Å; C749-R752 PolarHBondContact O-N 3.21Å; I750-R752 VanDerWaalsContact C-N 3.34Å; R752-Q754 VanDerWaalsContact C-N 3.33Å; R752-Q755 WeakPolarHBondContact O-CB 3.42Å; R752-Q755 PolarHBondContact O-N 3.14Å; R752-I756 WeakPolarHBondContact O-CG1 3.34Å; R752-I756 PolarHBondContact O-N 3.07Å; R752-I756 VanDerWaalsContact O-N 3.16Å |
| 753 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 167.9 | 172.8 | 61.8 | 0 | 0 | 0 | 110.4 | F720 F723 L727 C749 I750 Q755 I756 F757 I784 V787 | F720-L753 HydrophobicContact CD1-CD1 3.69Å; F720-L753 HydrophobicContact CE1-CD1 3.96Å; F723-L753 HydrophobicContact CB-CD1 4Å; F723-L753 HydrophobicContact CD1-CB 3.93Å; F723-L753 HydrophobicContact CD2-CB 4.35Å; F723-L753 HydrophobicContact CD2-CD1 3.91Å; F723-L753 HydrophobicContact CE1-CB 4.1Å; F723-L753 HydrophobicContact CG-CB 4.05Å; F723-L753 HydrophobicContact CG-CD1 3.99Å; F723-L753 HydrophobicContact CZ-CB 4.37Å; L727-L753 HydrophobicContact CD1-CD2 3.88Å; C749-L753 PolarHBondContact O-N 3.32Å; C749-L753 VanDerWaalsContact O-N 3.07Å; I750-L753 HydrophobicContact CD1-CD2 4.32Å; I750-L753 WeakPolarHBondContact O-CB 3.47Å; I750-L753 PolarHBondContact O-N 3.48Å; L753-Q755 VanDerWaalsContact C-N 3.3Å; L753-Q755 PolarHBondContact O-N 3.06Å; L753-I756 WeakPolarHBondContact O-CB 3.36Å; L753-I756 PolarHBondContact O-N 3.38Å; L753-I756 VanDerWaalsContact O-N 3.16Å; L753-F757 HydrophobicContact CD1-CD2 4.44Å; L753-F757 HydrophobicContact CD1-CE2 3.86Å; L753-F757 HydrophobicContact CG-CE2 4.18Å; L753-F757 WeakPolarHBondContact O-CD2 3.43Å; L753-F757 PolarHBondContact O-N 2.98Å; L753-I784 HydrophobicContact CD2-CG2 3.89Å; L753-V787 HydrophobicContact CD2-CB 4.29Å; L753-V787 HydrophobicContact CD2-CG1 4.29Å; L753-V787 HydrophobicContact CD2-CG2 4.46Å; L753-V787 HydrophobicContact CG-CG1 4.08Å |
| 754 | Q | 98.7 | Very high | 97.4 | Very high | 12 Ų | 12 | 22.8 Ų | 22.8 | 6% | 0.056 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.5 | -41.1 | 175.3 | -172.5 | -175.2 | 68.2 | 0 | 0 | 112.1 | M213 N406 I750 E751 R752 I756 F757 L758 V787 | M213-Q754 VanDerWaalsContact CA-NE2 3.28Å; M213-Q754 HydrophobicContact CE-CG 3.98Å; M213-Q754 HydrophobicContact CG-CG 3.86Å; M213-Q754 HydrophobicContact SD-CG 4.43Å; N406-Q754 PolarHBondContact ND2-OE1 3.33Å; I750-Q754 PolarHBondContact O-N 2.89Å; E751-Q754 WeakPolarHBondContact O-CB 3.44Å; E751-Q754 PolarHBondContact O-N 2.9Å; R752-Q754 VanDerWaalsContact C-N 3.33Å; Q754-I756 VanDerWaalsContact C-N 3.3Å; Q754-I756 PolarHBondContact O-N 3.4Å; Q754-F757 PolarHBondContact O-N 3.01Å; Q754-F757 VanDerWaalsContact O-N 3.16Å; Q754-L758 HydrophobicContact CG-CD1 4Å; Q754-L758 HydrophobicContact CG-CG 4.35Å; Q754-L758 WeakPolarHBondContact O-CG 3.34Å; Q754-L758 PolarHBondContact O-N 2.72Å; Q754-V787 HydrophobicContact CB-CG1 3.93Å; Q754-V787 HydrophobicContact CG-CG1 4.38Å |
| 755 | Q | 98.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 3% | 0.033 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61 | -34.3 | 176.9 | -171.3 | 179.3 | 37.7 | 0 | 0 | 112.9 | T408 D411 H642 E751 R752 L753 L758 M759 | T408-Q755 HydrophobicContact CG2-CG 4.34Å; T408-Q755 WeakPolarHBondContact OG1-CG 3.22Å; D411-Q755 PolarHBondContact OD2-NE2 2.9Å; H642-Q755 PolarHBondContact NE2-OE1 2.98Å; E751-Q755 WeakPolarHBondContact O-CB 3.44Å; E751-Q755 PolarHBondContact O-N 3.14Å; R752-Q755 WeakPolarHBondContact O-CB 3.42Å; R752-Q755 PolarHBondContact O-N 3.14Å; L753-Q755 VanDerWaalsContact C-N 3.3Å; L753-Q755 PolarHBondContact O-N 3.06Å; Q755-L758 PolarHBondContact O-N 3.49Å; Q755-M759 HydrophobicContact CG-CG 3.99Å; Q755-M759 HydrophobicContact CG-SD 3.77Å; Q755-M759 WeakPolarHBondContact O-CB 3.32Å; Q755-M759 WeakPolarHBondContact O-CG 3.47Å; Q755-M759 PolarHBondContact O-N 3.09Å |
| 756 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 174 | -60.6 | -55 | 0 | 0 | 0 | 110.4 | L641 I645 F716 I719 F720 F723 R752 L753 Q754 H760 I764 | L641-I756 HydrophobicContact CD2-CD1 4Å; I645-I756 HydrophobicContact CD1-CD1 3.95Å; F716-I756 HydrophobicContact CD1-CG2 4.12Å; F716-I756 HydrophobicContact CE1-CG2 4.04Å; I719-I756 HydrophobicContact CG2-CD1 4.36Å; I719-I756 HydrophobicContact CG2-CG1 4.12Å; F720-I756 HydrophobicContact CE1-CB 4.35Å; F720-I756 HydrophobicContact CE1-CG2 3.8Å; F720-I756 HydrophobicContact CZ-CG2 3.91Å; F723-I756 HydrophobicContact CE2-CG1 3.8Å; F723-I756 HydrophobicContact CZ-CG1 4.45Å; R752-I756 WeakPolarHBondContact O-CG1 3.34Å; R752-I756 PolarHBondContact O-N 3.07Å; R752-I756 VanDerWaalsContact O-N 3.16Å; L753-I756 WeakPolarHBondContact O-CB 3.36Å; L753-I756 PolarHBondContact O-N 3.38Å; L753-I756 VanDerWaalsContact O-N 3.16Å; Q754-I756 VanDerWaalsContact C-N 3.3Å; Q754-I756 PolarHBondContact O-N 3.4Å; I756-H760 PolarHBondContact O-CD2 3.46Å; I756-H760 PolarHBondContact O-N 3.18Å; I756-I764 HydrophobicContact CG2-CD1 4.09Å; I756-I764 WeakPolarHBondContact O-CD1 3.4Å |
| 757 | F | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 176.8 | -72.1 | -68.5 | 0 | 0 | 0 | 112 | M213 F720 L753 Q754 H761 I764 F776 V787 Y788 F791 | M213-F757 HydrophobicContact CE-CB 3.54Å; F720-F757 HydrophobicContact CD1-CE2 4.41Å; F720-F757 HydrophobicContact CD1-CZ 4.14Å; F720-F757 HydrophobicContact CE1-CD1 4.38Å; F720-F757 HydrophobicContact CE1-CD2 4.31Å; F720-F757 AromaticContact CE1-CE1 3.8Å; F720-F757 HydrophobicContact CE1-CE1 3.8Å; F720-F757 AromaticContact CE1-CE2 3.73Å; F720-F757 HydrophobicContact CE1-CE2 3.73Å; F720-F757 AromaticContact CE1-CZ 3.43Å; F720-F757 HydrophobicContact CE1-CZ 3.43Å; F720-F757 VanDerWaalsContact CE1-CZ 3.43Å; F720-F757 HydrophobicContact CE2-CE1 4.42Å; F720-F757 HydrophobicContact CZ-CD1 4.14Å; F720-F757 AromaticContact CZ-CE1 3.57Å; F720-F757 HydrophobicContact CZ-CE1 3.57Å; F720-F757 HydrophobicContact CZ-CE2 4.36Å; F720-F757 AromaticContact CZ-CZ 3.69Å; F720-F757 HydrophobicContact CZ-CZ 3.69Å; L753-F757 HydrophobicContact CD1-CD2 4.44Å; L753-F757 HydrophobicContact CD1-CE2 3.86Å; L753-F757 HydrophobicContact CG-CE2 4.18Å; L753-F757 WeakPolarHBondContact O-CD2 3.43Å; L753-F757 PolarHBondContact O-N 2.98Å; Q754-F757 PolarHBondContact O-N 3.01Å; Q754-F757 VanDerWaalsContact O-N 3.16Å; F757-H761 VanDerWaalsContact O-CA 3.26Å; F757-H761 WeakPolarHBondContact O-CA 3.3Å; F757-H761 VanDerWaalsContact O-CB 3.29Å; F757-H761 WeakPolarHBondContact O-CB 3.46Å; F757-H761 PolarHBondContact O-N 3.28Å; F757-I764 HydrophobicContact CD1-CD1 4.06Å; F757-I764 HydrophobicContact CD1-CG2 3.92Å; F757-I764 HydrophobicContact CE1-CG2 3.88Å; F757-F776 HydrophobicContact CE2-CZ 4.16Å; F757-F776 HydrophobicContact CZ-CE1 4.43Å; F757-F776 AromaticContact CZ-CE2 3.86Å; F757-F776 HydrophobicContact CZ-CE2 3.86Å; F757-F776 AromaticContact CZ-CZ 3.71Å; F757-F776 HydrophobicContact CZ-CZ 3.71Å; F757-V787 HydrophobicContact CD2-CG1 3.9Å; F757-V787 HydrophobicContact CE2-CG1 4.12Å; F757-Y788 AromaticContact CE1-CD2 3.88Å; F757-Y788 HydrophobicContact CE1-CD2 3.88Å; F757-Y788 HydrophobicContact CE1-CE2 4.31Å; F757-Y788 AromaticContact CZ-CD2 3.76Å; F757-Y788 HydrophobicContact CZ-CD2 3.76Å; F757-F791 HydrophobicContact CB-CB 4.06Å; F757-F791 HydrophobicContact CB-CD2 3.8Å; F757-F791 HydrophobicContact CB-CG 4.08Å; F757-F791 HydrophobicContact CD1-CB 3.86Å; F757-F791 AromaticContact CD1-CD1 3.66Å; F757-F791 HydrophobicContact CD1-CD1 3.66Å; F757-F791 AromaticContact CD1-CD2 3.67Å; F757-F791 HydrophobicContact CD1-CD2 3.67Å; F757-F791 HydrophobicContact CD1-CE1 4.09Å; F757-F791 HydrophobicContact CD1-CE2 4.09Å; F757-F791 AromaticContact CD1-CG 3.42Å; F757-F791 HydrophobicContact CD1-CG 3.42Å; F757-F791 VanDerWaalsContact CD1-CG 3.42Å; F757-F791 HydrophobicContact CD1-CZ 4.28Å; F757-F791 HydrophobicContact CE1-CB 4.44Å; F757-F791 AromaticContact CE1-CD1 3.86Å; F757-F791 HydrophobicContact CE1-CD1 3.86Å; F757-F791 HydrophobicContact CE1-CE1 4.26Å; F757-F791 HydrophobicContact CE1-CG 4.06Å; F757-F791 HydrophobicContact CG-CB 3.91Å; F757-F791 HydrophobicContact CG-CD2 4.09Å; F757-F791 AromaticContact CG-CG 3.92Å; F757-F791 HydrophobicContact CG-CG 3.92Å |
| 758 | L | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.1 | -47 | -179.2 | -69.5 | 171.8 | 0 | 0 | 0 | 112.4 | M213 L214 L362 P363 Q754 Q755 H760 H761 | M213-L758 HydrophobicContact CE-CD2 3.54Å; M213-L758 HydrophobicContact CE-CG 3.62Å; M213-L758 HydrophobicContact CG-CD2 3.75Å; M213-L758 HydrophobicContact CG-CG 4.31Å; M213-L758 HydrophobicContact SD-CD2 4.3Å; L214-L758 HydrophobicContact CD2-CD2 4.19Å; L362-L758 HydrophobicContact CB-CD1 4.46Å; L362-L758 HydrophobicContact CB-CD2 4.46Å; L362-L758 HydrophobicContact CD1-CD1 4.24Å; L362-L758 HydrophobicContact CD2-CD1 4.18Å; P363-L758 HydrophobicContact CB-CB 3.92Å; P363-L758 HydrophobicContact CB-CD2 3.73Å; P363-L758 HydrophobicContact CB-CG 4.44Å; P363-L758 WeakPolarHBondContact CB-O 3.37Å; P363-L758 HydrophobicContact CG-CD2 3.94Å; Q754-L758 HydrophobicContact CG-CD1 4Å; Q754-L758 HydrophobicContact CG-CG 4.35Å; Q754-L758 WeakPolarHBondContact O-CG 3.34Å; Q754-L758 PolarHBondContact O-N 2.72Å; Q755-L758 PolarHBondContact O-N 3.49Å; L758-H760 PolarHBondContact O-N 3.23Å; L758-H761 PolarHBondContact O-CD2 3.29Å |
| 759 | M | 96.9 | Very high | 96.1 | Very high | 75 Ų | 75 | 28 Ų | 28 | 37% | 0.369 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -77 | -22.7 | -173.8 | -69.7 | -169 | 69.5 | 0 | 0 | 113.9 | H642 Q755 | H642-M759 PolarHBondContact CE1-SD 3.43Å; H642-M759 PolarHBondContact ND1-SD 2.73Å; H642-M759 VanDerWaalsContact ND1-SD 3.39Å; Q755-M759 HydrophobicContact CG-CG 3.99Å; Q755-M759 HydrophobicContact CG-SD 3.77Å; Q755-M759 WeakPolarHBondContact O-CB 3.32Å; Q755-M759 WeakPolarHBondContact O-CG 3.47Å; Q755-M759 PolarHBondContact O-N 3.09Å |
| 760 | H | 97.3 | Very high | 95.8 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 5% | 0.051 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -128.1 | 23.5 | -172.5 | -51.9 | -73 | 0 | 0 | 0 | 113.2 | H642 I645 N649 F716 I756 L758 V762 T763 I764 | H642-H760 AromaticContact ND1-NE2 3.27Å; H642-H760 PolarHBondContact ND1-NE2 3.09Å; I645-H760 WeakPolarHBondContact CG2-CE1 3.34Å; I645-H760 WeakPolarHBondContact CG2-NE2 3.38Å; N649-H760 PolarHBondContact ND2-ND1 3.22Å; F716-H760 HydrophobicContact CE1-CB 3.89Å; F716-H760 HydrophobicContact CZ-CB 3.76Å; I756-H760 PolarHBondContact O-CD2 3.46Å; I756-H760 PolarHBondContact O-N 3.18Å; L758-H760 PolarHBondContact O-N 3.23Å; H760-V762 VanDerWaalsContact C-N 3.28Å; H760-V762 PolarHBondContact O-N 3.22Å; H760-T763 PolarHBondContact O-N 2.94Å; H760-I764 HydrophobicContact CB-CD1 3.88Å; H760-I764 HydrophobicContact CB-CG1 4.29Å; H760-I764 WeakPolarHBondContact O-CG1 3.47Å; H760-I764 PolarHBondContact O-N 3.44Å |
| 761 | H | 95.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 28.4 Ų | 28.4 | 16% | 0.162 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -51.1 | -43.3 | -174.3 | 66.3 | 89.4 | 0 | 0 | 0 | 113.4 | M284 F757 L758 T763 I764 Q765 F791 | M284-H761 HydrophobicContact CE-CB 4.43Å; M284-H761 WeakPolarHBondContact CE-CE1 3.3Å; M284-H761 WeakPolarHBondContact CE-ND1 3.42Å; F757-H761 VanDerWaalsContact O-CA 3.26Å; F757-H761 WeakPolarHBondContact O-CA 3.3Å; F757-H761 VanDerWaalsContact O-CB 3.29Å; F757-H761 WeakPolarHBondContact O-CB 3.46Å; F757-H761 PolarHBondContact O-N 3.28Å; L758-H761 PolarHBondContact O-CD2 3.29Å; H761-T763 VanDerWaalsContact C-N 3.3Å; H761-T763 PolarHBondContact O-N 3.5Å; H761-I764 PolarHBondContact O-N 3.05Å; H761-Q765 WeakPolarHBondContact O-CB 3.44Å; H761-Q765 WeakPolarHBondContact O-CG 3.33Å; H761-Q765 PolarHBondContact O-N 3.13Å; H761-F791 HydrophobicContact CB-CE2 3.86Å |
| 762 | V | 92.4 | Very high | 95.2 | Very high | 86 Ų | 86 | 31.5 Ų | 31.5 | 52% | 0.521 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59 | -41.5 | -179.5 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | H760 | H760-V762 VanDerWaalsContact C-N 3.28Å; H760-V762 PolarHBondContact O-N 3.22Å |
| 763 | T | 94.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -75 | -43.8 | 179.2 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | Q712 F716 H760 H761 Q765 Q766 Y767 | Q712-T763 HydrophobicContact CG-CG2 4.15Å; F716-T763 HydrophobicContact CD2-CG2 4.46Å; F716-T763 HydrophobicContact CE2-CG2 3.67Å; F716-T763 HydrophobicContact CZ-CG2 4.26Å; H760-T763 PolarHBondContact O-N 2.94Å; H761-T763 VanDerWaalsContact C-N 3.3Å; H761-T763 PolarHBondContact O-N 3.5Å; T763-Q765 VanDerWaalsContact C-N 3.31Å; T763-Q765 PolarHBondContact O-N 3.44Å; T763-Q766 WeakPolarHBondContact O-CB 3.35Å; T763-Q766 PolarHBondContact O-N 3.43Å; T763-Y767 HydrophobicContact CG2-CE2 4.05Å |
| 764 | I | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.7 | -32.9 | -176.3 | -65.3 | 163.5 | 0 | 0 | 0 | 111.8 | F716 F720 I756 F757 H760 H761 Q766 Y767 L771 F791 | F716-I764 HydrophobicContact CD1-CD1 4.18Å; F716-I764 HydrophobicContact CD1-CG1 3.92Å; F716-I764 HydrophobicContact CE1-CD1 3.86Å; F716-I764 HydrophobicContact CE1-CG1 3.76Å; F716-I764 HydrophobicContact CG-CG1 4.49Å; F716-I764 HydrophobicContact CZ-CG1 4.2Å; F720-I764 HydrophobicContact CZ-CD1 4.01Å; F720-I764 HydrophobicContact CZ-CG1 4.4Å; F720-I764 HydrophobicContact CZ-CG2 4.36Å; I756-I764 HydrophobicContact CG2-CD1 4.09Å; I756-I764 WeakPolarHBondContact O-CD1 3.4Å; F757-I764 HydrophobicContact CD1-CD1 4.06Å; F757-I764 HydrophobicContact CD1-CG2 3.92Å; F757-I764 HydrophobicContact CE1-CG2 3.88Å; H760-I764 HydrophobicContact CB-CD1 3.88Å; H760-I764 HydrophobicContact CB-CG1 4.29Å; H760-I764 WeakPolarHBondContact O-CG1 3.47Å; H760-I764 PolarHBondContact O-N 3.44Å; H761-I764 PolarHBondContact O-N 3.05Å; I764-Q766 PolarHBondContact O-N 3.29Å; I764-Q766 VanDerWaalsContact O-N 3.16Å; I764-Y767 PolarHBondContact O-N 3.43Å; I764-L771 HydrophobicContact CG2-CD1 3.58Å; I764-F791 HydrophobicContact CB-CE2 4.49Å; I764-F791 HydrophobicContact CB-CZ 4.02Å; I764-F791 HydrophobicContact CG2-CE1 3.87Å; I764-F791 HydrophobicContact CG2-CE2 4.35Å; I764-F791 HydrophobicContact CG2-CZ 3.63Å |
| 765 | Q | 93.3 | Very high | 94.5 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.2 | -31.6 | 175.8 | -81.6 | 168.9 | -6.3 | 0 | 0 | 112.9 | H761 T763 Y767 M768 F791 Q795 | H761-Q765 WeakPolarHBondContact O-CB 3.44Å; H761-Q765 WeakPolarHBondContact O-CG 3.33Å; H761-Q765 PolarHBondContact O-N 3.13Å; T763-Q765 VanDerWaalsContact C-N 3.31Å; T763-Q765 PolarHBondContact O-N 3.44Å; Q765-Y767 PolarHBondContact O-N 2.94Å; Q765-M768 PolarHBondContact O-N 3.17Å; Q765-F791 HydrophobicContact CG-CE2 4.38Å; Q765-F791 HydrophobicContact CG-CZ 3.86Å; Q765-Q795 VanDerWaalsContact NE2-CG 3.25Å |
| 766 | Q | 91.8 | Very high | 94.3 | Very high | 119 Ų | 119 | 43.3 Ų | 43.3 | 56% | 0.556 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.1 | 177.5 | -56.5 | 177.6 | 12.9 | 0 | 0 | 112.9 | T763 I764 | T763-Q766 WeakPolarHBondContact O-CB 3.35Å; T763-Q766 PolarHBondContact O-N 3.43Å; I764-Q766 PolarHBondContact O-N 3.29Å; I764-Q766 VanDerWaalsContact O-N 3.16Å |
| 767 | Y | 92.3 | Very high | 94.2 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 7.7 | -174.6 | -49.7 | -38.6 | 0 | 0 | 0 | 113.4 | Q712 K713 F716 T763 I764 Q765 G769 T770 L771 | Q712-Y767 PolarHBondContact OE1-OH 2.88Å; K713-Y767 HydrophobicContact CB-CD1 4.36Å; K713-Y767 HydrophobicContact CB-CD2 4.5Å; K713-Y767 HydrophobicContact CB-CE1 3.98Å; K713-Y767 HydrophobicContact CB-CE2 4.11Å; K713-Y767 HydrophobicContact CD-CD1 4.16Å; K713-Y767 HydrophobicContact CD-CE1 4.37Å; K713-Y767 HydrophobicContact CG-CD1 4.05Å; K713-Y767 HydrophobicContact CG-CD2 4.34Å; K713-Y767 HydrophobicContact CG-CE1 4.18Å; K713-Y767 HydrophobicContact CG-CE2 4.44Å; K713-Y767 HydrophobicContact CG-CG 4.15Å; F716-Y767 HydrophobicContact CD2-CE2 4.08Å; T763-Y767 HydrophobicContact CG2-CE2 4.05Å; I764-Y767 PolarHBondContact O-N 3.43Å; Q765-Y767 PolarHBondContact O-N 2.94Å; Y767-G769 VanDerWaalsContact C-N 3.33Å; Y767-G769 PolarHBondContact O-N 3Å; Y767-T770 WeakPolarHBondContact O-CB 3.36Å; Y767-T770 PolarHBondContact O-N 3.31Å; Y767-L771 WeakPolarHBondContact O-CG 3.47Å; Y767-L771 PolarHBondContact O-N 3.49Å |
| 768 | M | 90.9 | Very high | 93.9 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 22% | 0.222 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -49.5 | -50.4 | -176.4 | -83.9 | -166.9 | 56.5 | 0 | 0 | 112.9 | Q765 T770 L771 E772 F791 | Q765-M768 PolarHBondContact O-N 3.17Å; M768-T770 PolarHBondContact O-N 3.17Å; M768-T770 VanDerWaalsContact O-N 3.12Å; M768-L771 PolarHBondContact O-N 3.06Å; M768-E772 VanDerWaalsContact CE-OE1 3.3Å; M768-E772 WeakPolarHBondContact CE-OE1 3.45Å; M768-E772 WeakPolarHBondContact O-CG 3.46Å; M768-E772 PolarHBondContact O-N 3.4Å; M768-F791 HydrophobicContact CG-CE1 4.21Å; M768-F791 HydrophobicContact SD-CE1 4.43Å |
| 769 | G | 90.5 | Very high | 93.6 | Very high | 43 Ų | 43 | 59 Ų | 59 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.4 | -25.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y767 N773 | Y767-G769 VanDerWaalsContact C-N 3.33Å; Y767-G769 PolarHBondContact O-N 3Å; G769-N773 WeakPolarHBondContact O-CB 3.48Å; G769-N773 PolarHBondContact O-ND2 3.33Å |
| 770 | T | 93.3 | Very high | 93.5 | Very high | 29 Ų | 29 | 56.6 Ų | 56.6 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -78.5 | -41.1 | 171.5 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | K713 L717 Y767 M768 N773 L774 | K713-T770 VanDerWaalsContact CE-OG1 3.3Å; K713-T770 WeakPolarHBondContact CE-OG1 3.33Å; K713-T770 PolarHBondContact NZ-OG1 3.05Å; L717-T770 HydrophobicContact CD2-CG2 4.14Å; Y767-T770 WeakPolarHBondContact O-CB 3.36Å; Y767-T770 PolarHBondContact O-N 3.31Å; M768-T770 PolarHBondContact O-N 3.17Å; M768-T770 VanDerWaalsContact O-N 3.12Å; T770-N773 PolarHBondContact O-N 2.97Å; T770-L774 HydrophobicContact CG2-CD1 3.67Å; T770-L774 HydrophobicContact CG2-CG 4.3Å; T770-L774 WeakPolarHBondContact O-CB 3.46Å; T770-L774 PolarHBondContact O-N 3Å |
| 771 | L | 92.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | -178.3 | -66 | 179.5 | 0 | 0 | 0 | 112.1 | L717 F720 I764 Y767 M768 L775 F776 Y788 | L717-L771 HydrophobicContact CD2-CD2 3.96Å; F720-L771 HydrophobicContact CD2-CD2 3.65Å; F720-L771 HydrophobicContact CE2-CD1 4.04Å; F720-L771 HydrophobicContact CE2-CD2 3.89Å; I764-L771 HydrophobicContact CG2-CD1 3.58Å; Y767-L771 WeakPolarHBondContact O-CG 3.47Å; Y767-L771 PolarHBondContact O-N 3.49Å; M768-L771 PolarHBondContact O-N 3.06Å; L771-L775 HydrophobicContact CD2-CD1 3.89Å; L771-L775 PolarHBondContact O-N 3.33Å; L771-F776 HydrophobicContact CB-CD2 4.13Å; L771-F776 HydrophobicContact CD2-CE2 4.33Å; L771-F776 PolarHBondContact O-N 3.37Å; L771-Y788 HydrophobicContact CB-CE2 4.07Å; L771-Y788 HydrophobicContact CD1-CE2 4.22Å |
| 772 | E | 92.3 | Very high | 93.6 | Very high | 87 Ų | 87 | 63 Ų | 63 | 41% | 0.407 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 178.5 | -67.4 | 176.6 | 159.8 | 0 | 0 | 112.1 | M768 Y788 | M768-E772 VanDerWaalsContact CE-OE1 3.3Å; M768-E772 WeakPolarHBondContact CE-OE1 3.45Å; M768-E772 WeakPolarHBondContact O-CG 3.46Å; M768-E772 PolarHBondContact O-N 3.4Å; E772-Y788 HydrophobicContact CG-CE1 3.72Å; E772-Y788 WeakPolarHBondContact CG-OH 3.38Å; E772-Y788 PolarHBondContact OE1-OH 3.3Å |
| 773 | N | 92.5 | Very high | 93.8 | Very high | 123 Ų | 123 | 61.3 Ų | 61.3 | 66% | 0.658 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -83.6 | -29.2 | -173.2 | -72 | -42.7 | 0 | 0 | 0 | 113.6 | G769 T770 | G769-N773 WeakPolarHBondContact O-CB 3.48Å; G769-N773 PolarHBondContact O-ND2 3.33Å; T770-N773 PolarHBondContact O-N 2.97Å |
| 774 | L | 93.6 | Very high | 94 | Very high | 122 Ų | 122 | 60.6 Ų | 60.6 | 64% | 0.639 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -114.2 | -28.2 | -171 | -59 | -175.3 | 0 | 0 | 0 | 115 | T770 | T770-L774 HydrophobicContact CG2-CD1 3.67Å; T770-L774 HydrophobicContact CG2-CG 4.3Å; T770-L774 WeakPolarHBondContact O-CB 3.46Å; T770-L774 PolarHBondContact O-N 3Å |
| 775 | L | 94.8 | Very high | 94.1 | Very high | 20 Ų | 20 | 61.8 Ų | 61.8 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -56.9 | -171.5 | -65.6 | -173.2 | 0 | 0 | 0 | 112.8 | L717 F720 Q721 I724 L771 T777 L780 | L717-L775 HydrophobicContact CD2-CD1 3.56Å; L717-L775 HydrophobicContact CD2-CG 4.26Å; F720-L775 HydrophobicContact CB-CD1 3.69Å; F720-L775 HydrophobicContact CD2-CD1 4.42Å; Q721-L775 HydrophobicContact CG-CD1 4.42Å; Q721-L775 HydrophobicContact CG-CD2 3.52Å; I724-L775 HydrophobicContact CD1-CB 4.01Å; L771-L775 HydrophobicContact CD2-CD1 3.89Å; L771-L775 PolarHBondContact O-N 3.33Å; L775-T777 VanDerWaalsContact C-N 3.34Å; L775-T777 PolarHBondContact O-N 3.23Å; L775-L780 VanDerWaalsContact O-CD1 3.25Å; L775-L780 WeakPolarHBondContact O-CD1 3.26Å |
| 776 | F | 95.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.035 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -97.6 | 58.4 | -175 | -63 | -81.9 | 0 | 0 | 0 | 110.8 | F720 I724 F757 L771 L780 I784 L785 Y788 | F720-F776 HydrophobicContact CB-CE2 4.2Å; F720-F776 HydrophobicContact CB-CZ 4.2Å; F720-F776 HydrophobicContact CD1-CE2 4.15Å; F720-F776 AromaticContact CD1-CZ 3.87Å; F720-F776 HydrophobicContact CD1-CZ 3.87Å; F720-F776 HydrophobicContact CD2-CE2 4.33Å; F720-F776 HydrophobicContact CE1-CZ 4.46Å; F720-F776 AromaticContact CG-CE2 3.99Å; F720-F776 HydrophobicContact CG-CE2 3.99Å; F720-F776 HydrophobicContact CG-CZ 4.08Å; I724-F776 HydrophobicContact CD1-CD1 4.45Å; I724-F776 HydrophobicContact CD1-CE1 4.1Å; I724-F776 HydrophobicContact CD1-CZ 4.17Å; I724-F776 HydrophobicContact CG1-CE1 4.3Å; F757-F776 HydrophobicContact CE2-CZ 4.16Å; F757-F776 HydrophobicContact CZ-CE1 4.43Å; F757-F776 AromaticContact CZ-CE2 3.86Å; F757-F776 HydrophobicContact CZ-CE2 3.86Å; F757-F776 AromaticContact CZ-CZ 3.71Å; F757-F776 HydrophobicContact CZ-CZ 3.71Å; L771-F776 HydrophobicContact CB-CD2 4.13Å; L771-F776 HydrophobicContact CD2-CE2 4.33Å; L771-F776 PolarHBondContact O-N 3.37Å; F776-L780 HydrophobicContact CD1-CD2 4.29Å; F776-I784 HydrophobicContact CE1-CG2 4.34Å; F776-L785 HydrophobicContact CB-CD1 4.12Å; F776-Y788 HydrophobicContact CB-CD1 3.66Å; F776-Y788 HydrophobicContact CB-CD2 4.25Å; F776-Y788 HydrophobicContact CB-CE1 4.22Å; F776-Y788 HydrophobicContact CB-CG 3.69Å; F776-Y788 HydrophobicContact CD1-CD2 4.45Å; F776-Y788 HydrophobicContact CD1-CG 4.05Å; F776-Y788 AromaticContact CD2-CD2 3.77Å; F776-Y788 HydrophobicContact CD2-CD2 3.77Å; F776-Y788 HydrophobicContact CD2-CE2 4.24Å; F776-Y788 HydrophobicContact CD2-CG 4.03Å; F776-Y788 HydrophobicContact CE2-CD2 4.21Å; F776-Y788 HydrophobicContact CG-CD1 4.17Å; F776-Y788 AromaticContact CG-CD2 3.9Å; F776-Y788 HydrophobicContact CG-CD2 3.9Å; F776-Y788 AromaticContact CG-CG 3.66Å; F776-Y788 HydrophobicContact CG-CG 3.66Å |
| 777 | T | 94.6 | Very high | 94.6 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 28% | 0.276 | 30% | 0.303 | S | S | . | . | trans | -80 | 168.9 | 179.6 | 69.2 | 0 | 0 | 0 | 0 | 111.4 | L775 E779 L780 | L775-T777 VanDerWaalsContact C-N 3.34Å; L775-T777 PolarHBondContact O-N 3.23Å; T777-E779 PolarHBondContact O-N 3.34Å; T777-E779 VanDerWaalsContact O-N 3.16Å; T777-L780 VanDerWaalsContact O-CB 3.29Å; T777-L780 WeakPolarHBondContact O-CB 3.45Å; T777-L780 PolarHBondContact O-N 3.36Å | ||
| 778 | A | 92.4 | Very high | 94.9 | Very high | 99 Ų | 99 | 53.9 Ų | 53.9 | 82% | 0.818 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -13.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L780 | A778-L780 VanDerWaalsContact C-N 3.33Š|
| 779 | E | 92.6 | Very high | 95.3 | Very high | 187 Ų | 187 | 56.3 Ų | 56.3 | 87% | 0.874 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.2 | 178.1 | -61.5 | -177.3 | 169.7 | 0 | 0 | 112.8 | T777 | T777-E779 PolarHBondContact O-N 3.34Å; T777-E779 VanDerWaalsContact O-N 3.16Å |
| 780 | L | 95.3 | Very high | 95.6 | Very high | 24 Ų | 24 | 55.5 Ų | 55.5 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -74 | 145.6 | -177.4 | -166.7 | 125 | 0 | 0 | 0 | 110.9 | I724 L775 F776 T777 A778 H782 I784 L785 | I724-L780 HydrophobicContact CB-CD1 4.4Å; I724-L780 HydrophobicContact CD1-CD1 3.82Å; I724-L780 HydrophobicContact CG1-CD1 3.91Å; I724-L780 HydrophobicContact CG2-CD1 3.6Å; L775-L780 VanDerWaalsContact O-CD1 3.25Å; L775-L780 WeakPolarHBondContact O-CD1 3.26Å; F776-L780 HydrophobicContact CD1-CD2 4.29Å; T777-L780 VanDerWaalsContact O-CB 3.29Å; T777-L780 WeakPolarHBondContact O-CB 3.45Å; T777-L780 PolarHBondContact O-N 3.36Å; A778-L780 VanDerWaalsContact C-N 3.33Å; L780-H782 PolarHBondContact O-N 3.15Å; L780-I784 HydrophobicContact CD2-CB 3.46Å; L780-I784 VanDerWaalsContact CD2-CB 3.46Å; L780-I784 HydrophobicContact CD2-CG2 3.6Å; L780-I784 HydrophobicContact CG-CB 4.46Å; L780-L785 HydrophobicContact CD2-CB 3.9Å; L780-L785 VanDerWaalsContact CD2-N 3.34Å |
| 781 | D | 97.1 | Very high | 95.9 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | trans | -54.2 | 133.6 | 179.9 | -175.3 | -83.3 | 0 | 0 | 0 | 111.4 | L731 H783 I784 L785 | L731-D781 HydrophobicContact CD1-CB 4.08Å; D781-H783 PolarHBondContact O-N 3.41Å; D781-H783 VanDerWaalsContact O-N 3.08Å; D781-H783 WeakPolarHBondContact OD1-CB 3.33Å; D781-H783 IonicContact OD1-CE1 3.45Å; D781-H783 IonicContact OD1-CG 2.63Å; D781-H783 PolarHBondContact OD1-N 2.82Å; D781-H783 IonicContact OD1-ND1 2.76Å; D781-H783 PolarHBondContact OD1-ND1 3.21Å; D781-I784 HydrophobicContact CB-CD1 4.38Å; D781-I784 PolarHBondContact O-N 3.18Å; D781-L785 PolarHBondContact O-N 3.29Å | ||
| 782 | H | 96.8 | Very high | 96.1 | Very high | 127 Ų | 127 | 54.9 Ų | 54.9 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -56.7 | -29.3 | -172.6 | 71.4 | -73.6 | 0 | 0 | 0 | 114 | L780 A786 | L780-H782 PolarHBondContact O-N 3.15Å; H782-A786 WeakPolarHBondContact O-CB 3.42Å; H782-A786 PolarHBondContact O-N 3.23Å |
| 783 | H | 97.5 | Very high | 96.3 | Very high | 50 Ų | 50 | 51.5 Ų | 51.5 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 177.6 | -60.9 | 94.6 | 0 | 0 | 0 | 112.3 | L731 F741 Y746 D781 | L731-H783 HydrophobicContact CD1-CB 4.49Å; F741-H783 AromaticContact CE1-NE2 3.91Å; F741-H783 AromaticContact CE2-CD2 4Å; F741-H783 AromaticContact CE2-NE2 3.76Å; F741-H783 AromaticContact CZ-CD2 3.98Å; F741-H783 AromaticContact CZ-NE2 3.31Å; F741-H783 VanDerWaalsContact CZ-NE2 3.31Å; F741-H783 WeakPolarHBondContact CZ-NE2 3.12Å; Y746-H783 VanDerWaalsContact OH-CB 3.29Å; Y746-H783 WeakPolarHBondContact OH-CB 3.28Å; D781-H783 PolarHBondContact O-N 3.41Å; D781-H783 VanDerWaalsContact O-N 3.08Å; D781-H783 WeakPolarHBondContact OD1-CB 3.33Å; D781-H783 IonicContact OD1-CE1 3.45Å; D781-H783 IonicContact OD1-CG 2.63Å; D781-H783 PolarHBondContact OD1-N 2.82Å; D781-H783 IonicContact OD1-ND1 2.76Å; D781-H783 PolarHBondContact OD1-ND1 3.21Å |
| 784 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.7 | -41.7 | 179.7 | -50.8 | 169.1 | 0 | 0 | 0 | 109 | I724 L727 L731 L753 F776 L780 D781 A786 V787 | I724-I784 HydrophobicContact CG1-CG2 4.25Å; L727-I784 HydrophobicContact CB-CD1 3.49Å; L727-I784 VanDerWaalsContact CB-CD1 3.49Å; L727-I784 HydrophobicContact CB-CG1 3.82Å; L727-I784 HydrophobicContact CD1-CG1 4.14Å; L727-I784 HydrophobicContact CD1-CG2 4.26Å; L731-I784 HydrophobicContact CD1-CD1 4.11Å; L731-I784 HydrophobicContact CD1-CG1 4.1Å; L753-I784 HydrophobicContact CD2-CG2 3.89Å; F776-I784 HydrophobicContact CE1-CG2 4.34Å; L780-I784 HydrophobicContact CD2-CB 3.46Å; L780-I784 VanDerWaalsContact CD2-CB 3.46Å; L780-I784 HydrophobicContact CD2-CG2 3.6Å; L780-I784 HydrophobicContact CG-CB 4.46Å; D781-I784 HydrophobicContact CB-CD1 4.38Å; D781-I784 PolarHBondContact O-N 3.18Å; I784-A786 VanDerWaalsContact C-N 3.26Å; I784-A786 PolarHBondContact O-N 3.04Å; I784-V787 PolarHBondContact O-N 3.33Å |
| 785 | L | 97.9 | Very high | 96.5 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -34.9 | 177.6 | -174.5 | 61.3 | 0 | 0 | 0 | 111.7 | F776 L780 D781 V787 Y788 Q789 | F776-L785 HydrophobicContact CB-CD1 4.12Å; L780-L785 HydrophobicContact CD2-CB 3.9Å; L780-L785 VanDerWaalsContact CD2-N 3.34Å; D781-L785 PolarHBondContact O-N 3.29Å; L785-V787 VanDerWaalsContact C-N 3.26Å; L785-V787 PolarHBondContact O-N 3.34Å; L785-Y788 WeakPolarHBondContact O-CB 3.47Å; L785-Y788 PolarHBondContact O-N 2.89Å; L785-Y788 VanDerWaalsContact O-N 3.09Å; L785-Q789 HydrophobicContact CG-CG 4.38Å; L785-Q789 WeakPolarHBondContact O-CG 3.38Å; L785-Q789 PolarHBondContact O-N 3.46Å |
| 786 | A | 98.1 | Very high | 95.9 | Very high | 27 Ų | 27 | 47 Ų | 47 | 22% | 0.223 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.1 | -36.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H782 I784 Y788 Q789 Q790 | H782-A786 WeakPolarHBondContact O-CB 3.42Å; H782-A786 PolarHBondContact O-N 3.23Å; I784-A786 VanDerWaalsContact C-N 3.26Å; I784-A786 PolarHBondContact O-N 3.04Å; A786-Y788 VanDerWaalsContact C-N 3.32Å; A786-Y788 PolarHBondContact O-N 2.77Å; A786-Q789 PolarHBondContact O-N 3.16Å; A786-Q790 WeakPolarHBondContact O-CB 3.43Å; A786-Q790 VanDerWaalsContact O-CD 3.31Å; A786-Q790 WeakPolarHBondContact O-CG 3.48Å; A786-Q790 PolarHBondContact O-N 3.07Å |
| 787 | V | 98.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | I750 L753 Q754 F757 I784 L785 F791 | I750-V787 HydrophobicContact CD1-CG2 3.64Å; I750-V787 HydrophobicContact CG1-CG2 3.82Å; L753-V787 HydrophobicContact CD2-CB 4.29Å; L753-V787 HydrophobicContact CD2-CG1 4.29Å; L753-V787 HydrophobicContact CD2-CG2 4.46Å; L753-V787 HydrophobicContact CG-CG1 4.08Å; Q754-V787 HydrophobicContact CB-CG1 3.93Å; Q754-V787 HydrophobicContact CG-CG1 4.38Å; F757-V787 HydrophobicContact CD2-CG1 3.9Å; F757-V787 HydrophobicContact CE2-CG1 4.12Å; I784-V787 PolarHBondContact O-N 3.33Å; L785-V787 VanDerWaalsContact C-N 3.26Å; L785-V787 PolarHBondContact O-N 3.34Å; V787-F791 PolarHBondContact O-N 3.32Å; V787-F791 VanDerWaalsContact O-N 3.1Å |
| 788 | Y | 98.1 | Very high | 96 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.5 | -43.1 | 175.9 | -177.6 | -107.2 | 0 | 0 | 0 | 111.9 | F757 L771 E772 F776 L785 A786 Q790 F791 C792 | F757-Y788 AromaticContact CE1-CD2 3.88Å; F757-Y788 HydrophobicContact CE1-CD2 3.88Å; F757-Y788 HydrophobicContact CE1-CE2 4.31Å; F757-Y788 AromaticContact CZ-CD2 3.76Å; F757-Y788 HydrophobicContact CZ-CD2 3.76Å; L771-Y788 HydrophobicContact CB-CE2 4.07Å; L771-Y788 HydrophobicContact CD1-CE2 4.22Å; E772-Y788 HydrophobicContact CG-CE1 3.72Å; E772-Y788 WeakPolarHBondContact CG-OH 3.38Å; E772-Y788 PolarHBondContact OE1-OH 3.3Å; F776-Y788 HydrophobicContact CB-CD1 3.66Å; F776-Y788 HydrophobicContact CB-CD2 4.25Å; F776-Y788 HydrophobicContact CB-CE1 4.22Å; F776-Y788 HydrophobicContact CB-CG 3.69Å; F776-Y788 HydrophobicContact CD1-CD2 4.45Å; F776-Y788 HydrophobicContact CD1-CG 4.05Å; F776-Y788 AromaticContact CD2-CD2 3.77Å; F776-Y788 HydrophobicContact CD2-CD2 3.77Å; F776-Y788 HydrophobicContact CD2-CE2 4.24Å; F776-Y788 HydrophobicContact CD2-CG 4.03Å; F776-Y788 HydrophobicContact CE2-CD2 4.21Å; F776-Y788 HydrophobicContact CG-CD1 4.17Å; F776-Y788 AromaticContact CG-CD2 3.9Å; F776-Y788 HydrophobicContact CG-CD2 3.9Å; F776-Y788 AromaticContact CG-CG 3.66Å; F776-Y788 HydrophobicContact CG-CG 3.66Å; L785-Y788 WeakPolarHBondContact O-CB 3.47Å; L785-Y788 PolarHBondContact O-N 2.89Å; L785-Y788 VanDerWaalsContact O-N 3.09Å; A786-Y788 VanDerWaalsContact C-N 3.32Å; A786-Y788 PolarHBondContact O-N 2.77Å; Y788-Q790 VanDerWaalsContact C-N 3.32Å; Y788-Q790 PolarHBondContact O-N 3.22Å; Y788-F791 HydrophobicContact CD2-CD1 4.13Å; Y788-F791 AromaticContact CE2-CD1 3.92Å; Y788-F791 HydrophobicContact CE2-CD1 3.92Å; Y788-F791 HydrophobicContact CE2-CE1 4.25Å; Y788-F791 WeakPolarHBondContact O-CB 3.12Å; Y788-F791 PolarHBondContact O-N 3.27Å; Y788-F791 VanDerWaalsContact O-N 3.11Å; Y788-C792 VanDerWaalsContact CE1-SG 3.54Å; Y788-C792 PolarHBondContact O-N 3.05Å; Y788-C792 PolarHBondContact O-SG 2.89Å; Y788-C792 VanDerWaalsContact O-SG 3.34Å |
| 789 | Q | 98 | Very high | 96.2 | Very high | 96 Ų | 96 | 46.4 Ų | 46.4 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.6 | -68.7 | 171.6 | -11.2 | 0 | 0 | 112.3 | T209 L785 A786 F791 C792 A793 | T209-Q789 HydrophobicContact CG2-CB 4.2Å; L785-Q789 HydrophobicContact CG-CG 4.38Å; L785-Q789 WeakPolarHBondContact O-CG 3.38Å; L785-Q789 PolarHBondContact O-N 3.46Å; A786-Q789 PolarHBondContact O-N 3.16Å; Q789-F791 VanDerWaalsContact C-N 3.34Å; Q789-C792 PolarHBondContact O-N 3.16Å; Q789-A793 WeakPolarHBondContact O-CB 3.43Å; Q789-A793 PolarHBondContact O-N 3.28Å |
| 790 | Q | 98.6 | Very high | 96.4 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 172.4 | -73.1 | 159.3 | 21.3 | 0 | 0 | 111.6 | T209 M213 A786 Y788 A793 | T209-Q790 WeakPolarHBondContact O-CG 3.19Å; M213-Q790 HydrophobicContact CB-CB 3.73Å; M213-Q790 HydrophobicContact CB-CG 4.13Å; M213-Q790 HydrophobicContact CG-CB 4.28Å; M213-Q790 HydrophobicContact SD-CB 3.58Å; M213-Q790 VanDerWaalsContact SD-CB 3.58Å; A786-Q790 WeakPolarHBondContact O-CB 3.43Å; A786-Q790 VanDerWaalsContact O-CD 3.31Å; A786-Q790 WeakPolarHBondContact O-CG 3.48Å; A786-Q790 PolarHBondContact O-N 3.07Å; Y788-Q790 VanDerWaalsContact C-N 3.32Å; Y788-Q790 PolarHBondContact O-N 3.22Å; Q790-A793 PolarHBondContact O-N 3.07Å |
| 791 | F | 98.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.013 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 176.2 | 162 | -106.4 | 0 | 0 | 0 | 111.9 | M213 F757 H761 I764 Q765 M768 V787 Y788 Q789 A793 L794 | M213-F791 HydrophobicContact CE-CB 4.06Å; M213-F791 HydrophobicContact SD-CB 4.25Å; M213-F791 PolarHBondContact SD-N 3.11Å; M213-F791 VanDerWaalsContact SD-N 3.41Å; F757-F791 HydrophobicContact CB-CB 4.06Å; F757-F791 HydrophobicContact CB-CD2 3.8Å; F757-F791 HydrophobicContact CB-CG 4.08Å; F757-F791 HydrophobicContact CD1-CB 3.86Å; F757-F791 AromaticContact CD1-CD1 3.66Å; F757-F791 HydrophobicContact CD1-CD1 3.66Å; F757-F791 AromaticContact CD1-CD2 3.67Å; F757-F791 HydrophobicContact CD1-CD2 3.67Å; F757-F791 HydrophobicContact CD1-CE1 4.09Å; F757-F791 HydrophobicContact CD1-CE2 4.09Å; F757-F791 AromaticContact CD1-CG 3.42Å; F757-F791 HydrophobicContact CD1-CG 3.42Å; F757-F791 VanDerWaalsContact CD1-CG 3.42Å; F757-F791 HydrophobicContact CD1-CZ 4.28Å; F757-F791 HydrophobicContact CE1-CB 4.44Å; F757-F791 AromaticContact CE1-CD1 3.86Å; F757-F791 HydrophobicContact CE1-CD1 3.86Å; F757-F791 HydrophobicContact CE1-CE1 4.26Å; F757-F791 HydrophobicContact CE1-CG 4.06Å; F757-F791 HydrophobicContact CG-CB 3.91Å; F757-F791 HydrophobicContact CG-CD2 4.09Å; F757-F791 AromaticContact CG-CG 3.92Å; F757-F791 HydrophobicContact CG-CG 3.92Å; H761-F791 HydrophobicContact CB-CE2 3.86Å; I764-F791 HydrophobicContact CB-CE2 4.49Å; I764-F791 HydrophobicContact CB-CZ 4.02Å; I764-F791 HydrophobicContact CG2-CE1 3.87Å; I764-F791 HydrophobicContact CG2-CE2 4.35Å; I764-F791 HydrophobicContact CG2-CZ 3.63Å; Q765-F791 HydrophobicContact CG-CE2 4.38Å; Q765-F791 HydrophobicContact CG-CZ 3.86Å; M768-F791 HydrophobicContact CG-CE1 4.21Å; M768-F791 HydrophobicContact SD-CE1 4.43Å; V787-F791 PolarHBondContact O-N 3.32Å; V787-F791 VanDerWaalsContact O-N 3.1Å; Y788-F791 HydrophobicContact CD2-CD1 4.13Å; Y788-F791 AromaticContact CE2-CD1 3.92Å; Y788-F791 HydrophobicContact CE2-CD1 3.92Å; Y788-F791 HydrophobicContact CE2-CE1 4.25Å; Y788-F791 WeakPolarHBondContact O-CB 3.12Å; Y788-F791 PolarHBondContact O-N 3.27Å; Y788-F791 VanDerWaalsContact O-N 3.11Å; Q789-F791 VanDerWaalsContact C-N 3.34Å; F791-A793 VanDerWaalsContact C-N 3.28Å; F791-A793 PolarHBondContact O-N 3.27Å; F791-L794 HydrophobicContact CD2-CD1 4.36Å; F791-L794 VanDerWaalsContact O-CB 3.31Å; F791-L794 WeakPolarHBondContact O-CB 3.33Å; F791-L794 WeakPolarHBondContact O-CG 3.48Å; F791-L794 PolarHBondContact O-N 3.24Å; F791-L794 VanDerWaalsContact O-N 3.14Å |
| 792 | C | 96.9 | Very high | 96.4 | Very high | 14 Ų | 14 | 38 Ų | 38 | 10% | 0.095 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.3 | -39.1 | 177.6 | -63 | 0 | 0 | 0 | 0 | 111.6 | Y788 Q789 L794 Q795 L796 | Y788-C792 VanDerWaalsContact CE1-SG 3.54Å; Y788-C792 PolarHBondContact O-N 3.05Å; Y788-C792 PolarHBondContact O-SG 2.89Å; Y788-C792 VanDerWaalsContact O-SG 3.34Å; Q789-C792 PolarHBondContact O-N 3.16Å; C792-L794 PolarHBondContact O-N 2.7Å; C792-Q795 PolarHBondContact O-N 3.46Å; C792-L796 HydrophobicContact CB-CD1 3.72Å; C792-L796 HydrophobicContact CB-CG 4.47Å; C792-L796 WeakPolarHBondContact O-CG 3.37Å; C792-L796 PolarHBondContact O-N 2.98Å; C792-L796 VanDerWaalsContact O-N 3.15Å |
| 793 | A | 97.5 | Very high | 96.4 | Very high | 16 Ų | 16 | 31.6 Ų | 31.6 | 13% | 0.132 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -6.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | T209 H210 Q789 Q790 F791 Q795 | T209-A793 HydrophobicContact CG2-CB 4.13Å; H210-A793 HydrophobicContact CB-CB 4.15Å; Q789-A793 WeakPolarHBondContact O-CB 3.43Å; Q789-A793 PolarHBondContact O-N 3.28Å; Q790-A793 PolarHBondContact O-N 3.07Å; F791-A793 VanDerWaalsContact C-N 3.28Å; F791-A793 PolarHBondContact O-N 3.27Å; A793-Q795 VanDerWaalsContact C-N 3.29Å |
| 794 | L | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -20.1 | 173.9 | -59.6 | -178.5 | 0 | 0 | 0 | 113.2 | H210 M213 L214 M284 P363 F791 C792 | H210-L794 HydrophobicContact CB-CD2 4.26Å; M213-L794 HydrophobicContact CE-CD1 4.27Å; M213-L794 HydrophobicContact SD-CD1 4.24Å; M213-L794 HydrophobicContact SD-CG 4.49Å; L214-L794 HydrophobicContact CD1-CD2 3.9Å; L214-L794 HydrophobicContact CD2-CD2 3.9Å; L214-L794 HydrophobicContact CG-CD2 4.08Å; M284-L794 HydrophobicContact CE-CB 4.29Å; M284-L794 HydrophobicContact CG-CB 4.37Å; M284-L794 WeakPolarHBondContact CG-O 3.38Å; M284-L794 HydrophobicContact SD-CB 4.22Å; M284-L794 HydrophobicContact SD-CD1 4.34Å; P363-L794 HydrophobicContact CG-CD1 4.49Å; F791-L794 HydrophobicContact CD2-CD1 4.36Å; F791-L794 VanDerWaalsContact O-CB 3.31Å; F791-L794 WeakPolarHBondContact O-CB 3.33Å; F791-L794 WeakPolarHBondContact O-CG 3.48Å; F791-L794 PolarHBondContact O-N 3.24Å; F791-L794 VanDerWaalsContact O-N 3.14Å; C792-L794 PolarHBondContact O-N 2.7Å |
| 795 | Q | 92.9 | Very high | 96.2 | Very high | 49 Ų | 49 | 32.8 Ų | 32.8 | 23% | 0.229 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.5 | -8 | -179.1 | -70.5 | -65.1 | -77.8 | 0 | 0 | 114.7 | V164 Y282 Q765 C792 A793 | V164-Q795 VanDerWaalsContact CG2-O 3.3Å; V164-Q795 WeakPolarHBondContact CG2-O 3.23Å; Y282-Q795 PolarHBondContact O-NE2 3.28Å; Q765-Q795 VanDerWaalsContact NE2-CG 3.25Å; C792-Q795 PolarHBondContact O-N 3.46Å; A793-Q795 VanDerWaalsContact C-N 3.29Å |
| 796 | L | 82.2 | Confident | 96 | Very high | 122 Ų | 122 | 33.5 Ų | 33.5 | 64% | 0.639 | 18% | 0.179 | S | C | * | . | trans | -82.2 | 0 | 176.3 | -68.9 | 179.6 | 0 | 0 | 0 | 113.6 | P162 Q163 C792 | P162-L796 WeakPolarHBondContact CA-OXT 3.49Å; Q163-L796 WeakPolarHBondContact CB-O 3.42Å; Q163-L796 PolarHBondContact N-O 2.78Å; Q163-L796 PolarHBondContact N-OXT 3.23Å; C792-L796 HydrophobicContact CB-CD1 3.72Å; C792-L796 HydrophobicContact CB-CG 4.47Å; C792-L796 WeakPolarHBondContact O-CG 3.37Å; C792-L796 PolarHBondContact O-N 2.98Å; C792-L796 VanDerWaalsContact O-N 3.15Å |
Retrieved 796 of 796 residues in 301.5 ms
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