| 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 | 35.5 | Very low | 36.7 | Very low | 223 Ų | 223 | 147 Ų | 147 | 100% | 1.099 | 71% | 0.709 | S | S | * | * | 0 | 88.3 | 0 | -170.7 | 178.7 | -101.4 | 0 | 0 | 106.5 | I3 | M1-I3 HydrophobicContact CG-CG1 4.43Å; M1-I3 PolarHBondContact O-N 3.21Å | |||
| 2 | Y | 31 | Very low | 36.9 | Very low | 240 Ų | 240 | 142 Ų | 142 | 94% | 0.941 | 70% | 0.697 | S | S | * | * | trans | -75.2 | 103.7 | 172.9 | -84.6 | -89.1 | 0 | 0 | 0 | 106.2 | E4 | Y2-E4 PolarHBondContact O-N 3.16Å; Y2-E4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | I | 36 | Very low | 36.7 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 68% | 0.677 | 68% | 0.679 | S | S | * | * | trans | -74.1 | 100.8 | 172.1 | -61.8 | 177.3 | 0 | 0 | 0 | 105.5 | M1 V5 | M1-I3 HydrophobicContact CG-CG1 4.43Å; M1-I3 PolarHBondContact O-N 3.21Å; I3-V5 VanDerWaalsContact C-N 3.29Å; I3-V5 HydrophobicContact CG2-CG2 4.06Å; I3-V5 PolarHBondContact O-N 2.93Å | ||
| 4 | E | 33.1 | Very low | 36.9 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 88% | 0.883 | 69% | 0.686 | S | S | * | * | trans | -62 | 96.3 | 162.1 | -98.3 | -177.9 | 153.5 | 0 | 0 | 107.4 | Y2 N6 | Y2-E4 PolarHBondContact O-N 3.16Å; Y2-E4 VanDerWaalsContact O-N 3.13Å; E4-N6 PolarHBondContact O-N 2.98Å; E4-N6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | V | 36.1 | Very low | 37.1 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 54% | 0.539 | 68% | 0.684 | S | S | . | * | trans | -71.4 | 105.9 | 169.1 | -178.6 | 0 | 0 | 0 | 0 | 106.5 | I3 K7 Y10 | I3-V5 VanDerWaalsContact C-N 3.29Å; I3-V5 HydrophobicContact CG2-CG2 4.06Å; I3-V5 PolarHBondContact O-N 2.93Å; V5-K7 PolarHBondContact O-N 3.32Å; V5-Y10 HydrophobicContact CG1-CE2 3.7Å | ||
| 6 | N | 33 | Very low | 37.8 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 58% | 0.583 | 69% | 0.686 | S | S | * | * | trans | -62.2 | 123.9 | -175.8 | -147.1 | -5.8 | 0 | 0 | 0 | 109.6 | E4 S8 D9 | E4-N6 PolarHBondContact O-N 2.98Å; E4-N6 VanDerWaalsContact O-N 3.12Å; N6-S8 PolarHBondContact O-N 3.05Å; N6-D9 PolarHBondContact O-N 3.27Å; N6-D9 VanDerWaalsContact O-N 3.15Å | ||
| 7 | K | 42.3 | Very low | 38.1 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 83% | 0.83 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -10.6 | -177 | -132.5 | 174.9 | -176.1 | 178.9 | 0 | 112.8 | V5 | V5-K7 PolarHBondContact O-N 3.32Š|
| 8 | S | 42.4 | Very low | 38.9 | Very low | 61 Ų | 61 | 135.7 Ų | 135.7 | 43% | 0.427 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.9 | -23.2 | 176.2 | 53.4 | 0 | 0 | 0 | 0 | 114.5 | N6 Y10 P12 | N6-S8 PolarHBondContact O-N 3.05Å; S8-Y10 VanDerWaalsContact C-N 3.33Å; S8-Y10 PolarHBondContact O-N 3.26Å; S8-P12 VanDerWaalsContact O-CD 3.27Å; S8-P12 WeakPolarHBondContact O-CD 3.47Å |
| 9 | D | 37 | Very low | 40.6 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -8.7 | -172.7 | -66.5 | -13.6 | 0 | 0 | 0 | 113.5 | N6 | N6-D9 PolarHBondContact O-N 3.27Å; N6-D9 VanDerWaalsContact O-N 3.15Å |
| 10 | Y | 40.9 | Very low | 42.8 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 59% | 0.588 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -15.5 | 175.8 | -67.6 | -78.3 | 0 | 0 | 0 | 114.2 | V5 S8 S13 L14 | V5-Y10 HydrophobicContact CG1-CE2 3.7Å; S8-Y10 VanDerWaalsContact C-N 3.33Å; S8-Y10 PolarHBondContact O-N 3.26Å; Y10-S13 WeakPolarHBondContact CA-OG 3.44Å; Y10-S13 PolarHBondContact O-OG 3.03Å; Y10-S13 VanDerWaalsContact O-OG 3.11Å; Y10-L14 PolarHBondContact O-N 3.26Å |
| 11 | L | 36.3 | Very low | 45 | Very low | 120 Ų | 120 | 127 Ų | 127 | 63% | 0.628 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.9 | -36.9 | 176.6 | -126.4 | 86.7 | 0 | 0 | 0 | 113.5 | S13 M15 | L11-S13 VanDerWaalsContact C-N 3.34Å; L11-M15 PolarHBondContact O-N 2.85Å |
| 12 | P | 38.8 | Very low | 47.5 | Very low | 87 Ų | 87 | 119 Ų | 119 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.7 | -27.3 | 177 | -15.8 | 29.2 | 0 | 0 | 0 | 113 | S8 M15 | S8-P12 VanDerWaalsContact O-CD 3.27Å; S8-P12 WeakPolarHBondContact O-CD 3.47Å; P12-M15 CarbonylContact O-C 3.48Å |
| 13 | S | 34.2 | Very low | 50.2 | Low | 67 Ų | 67 | 111.1 Ų | 111.1 | 47% | 0.469 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -84.7 | -22.5 | -177.8 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | Y10 L11 V16 | Y10-S13 WeakPolarHBondContact CA-OG 3.44Å; Y10-S13 PolarHBondContact O-OG 3.03Å; Y10-S13 VanDerWaalsContact O-OG 3.11Å; L11-S13 VanDerWaalsContact C-N 3.34Å; S13-V16 WeakPolarHBondContact O-CG2 3.09Å |
| 14 | L | 39.9 | Very low | 52.9 | Low | 146 Ų | 146 | 111.8 Ų | 111.8 | 76% | 0.764 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -80.3 | -21.5 | 168 | -118.2 | 104.2 | 0 | 0 | 0 | 113.1 | Y10 V16 | Y10-L14 PolarHBondContact O-N 3.26Å; L14-V16 PolarHBondContact O-N 3.37Å |
| 15 | M | 40.2 | Very low | 55.8 | Low | 135 Ų | 135 | 106 Ų | 106 | 67% | 0.665 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -90.4 | 53.2 | 163.5 | -70.7 | -163.9 | -84.8 | 0 | 0 | 110.1 | L11 P12 Q17 | L11-M15 PolarHBondContact O-N 2.85Å; P12-M15 CarbonylContact O-C 3.48Å; M15-Q17 PolarHBondContact O-N 3.17Å |
| 16 | V | 47.5 | Very low | 58.5 | Low | 117 Ų | 117 | 101.8 Ų | 101.8 | 71% | 0.709 | 53% | 0.527 | S | S | * | . | trans | -43 | 114.8 | 155 | 172.8 | 0 | 0 | 0 | 0 | 105.4 | S13 L14 K18 | S13-V16 WeakPolarHBondContact O-CG2 3.09Å; L14-V16 PolarHBondContact O-N 3.37Å; V16-K18 PolarHBondContact O-N 2.86Å | ||
| 17 | Q | 42.7 | Very low | 61.3 | Low | 185 Ų | 185 | 98.7 Ų | 98.7 | 86% | 0.864 | 51% | 0.51 | S | S | * | . | trans | -60.2 | 74.3 | -173.3 | -163.9 | -179.3 | 29.6 | 0 | 0 | 108.8 | M15 S19 | M15-Q17 PolarHBondContact O-N 3.17Å; Q17-S19 PolarHBondContact O-N 3.43Å | ||
| 18 | K | 53.2 | Low | 63.8 | Low | 88 Ų | 88 | 93.5 Ų | 93.5 | 38% | 0.383 | 50% | 0.497 | S | S | . | . | trans | -59.8 | 113.8 | 163 | -97.7 | 175.1 | 162.6 | -176 | 0 | 103.3 | V16 N22 T90 F91 | V16-K18 PolarHBondContact O-N 2.86Å; K18-N22 HydrophobicContact CB-CB 4.41Å; K18-T90 WeakPolarHBondContact CE-O 3.41Å; K18-T90 PolarHBondContact NZ-O 3.46Å; K18-F91 WeakPolarHBondContact CD-O 3.4Å; K18-F91 WeakPolarHBondContact CE-O 3.24Å; K18-F91 PolarHBondContact NZ-O 3.05Å | ||
| 19 | S | 71.9 | Confident | 66.3 | Low | 43 Ų | 43 | 92.6 Ų | 92.6 | 30% | 0.301 | 49% | 0.487 | S | S | . | . | trans | -46.7 | 143 | 179.5 | 79.5 | 0 | 0 | 0 | 0 | 108.4 | Q17 V21 N22 F23 | Q17-S19 PolarHBondContact O-N 3.43Å; S19-V21 CarbonylContact O-C 3.59Å; S19-V21 PolarHBondContact O-N 2.9Å; S19-N22 WeakPolarHBondContact O-CA 3.42Å; S19-N22 WeakPolarHBondContact O-CB 3.39Å; S19-N22 PolarHBondContact O-N 3.5Å; S19-N22 PolarHBondContact OG-N 3.02Å; S19-N22 VanDerWaalsContact OG-N 3.13Å; S19-N22 PolarHBondContact OG-OD1 3.4Å; S19-F23 PolarHBondContact O-N 2.9Å; S19-F23 VanDerWaalsContact O-N 3.17Å | ||
| 20 | P | 83.1 | Confident | 69.1 | Low | 90 Ų | 90 | 87.3 Ų | 87.3 | 58% | 0.584 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -51.2 | -32.4 | 178.7 | 19.2 | -31.4 | 0 | 0 | 0 | 111 | F23 Y24 | P20-F23 WeakPolarHBondContact O-CB 3.34Å; P20-F23 PolarHBondContact O-N 3.23Å; P20-Y24 HydrophobicContact CB-CE2 4.31Å; P20-Y24 WeakPolarHBondContact O-CD2 3.39Å; P20-Y24 PolarHBondContact O-N 3.41Å |
| 21 | V | 89.8 | Confident | 71.6 | Confident | 91 Ų | 91 | 83.7 Ų | 83.7 | 55% | 0.552 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -58 | -49.5 | 172.4 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | S19 F23 Y24 I25 | S19-V21 CarbonylContact O-C 3.59Å; S19-V21 PolarHBondContact O-N 2.9Å; V21-F23 VanDerWaalsContact C-N 3.29Å; V21-F23 PolarHBondContact O-N 3.29Å; V21-Y24 PolarHBondContact O-N 3.33Å; V21-I25 HydrophobicContact CG1-CD1 3.83Å; V21-I25 HydrophobicContact CG1-CG1 4.38Å; V21-I25 VanDerWaalsContact O-CG1 3.27Å; V21-I25 WeakPolarHBondContact O-CG1 3.48Å; V21-I25 PolarHBondContact O-N 3.25Å |
| 22 | N | 88.3 | Confident | 74.5 | Confident | 56 Ų | 56 | 81.5 Ų | 81.5 | 30% | 0.299 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 177.1 | -69.9 | -8.5 | 0 | 0 | 0 | 111.4 | K18 S19 I25 G26 F91 | K18-N22 HydrophobicContact CB-CB 4.41Å; S19-N22 WeakPolarHBondContact O-CA 3.42Å; S19-N22 WeakPolarHBondContact O-CB 3.39Å; S19-N22 PolarHBondContact O-N 3.5Å; S19-N22 PolarHBondContact OG-N 3.02Å; S19-N22 VanDerWaalsContact OG-N 3.13Å; S19-N22 PolarHBondContact OG-OD1 3.4Å; N22-I25 PolarHBondContact O-N 3.48Å; N22-G26 PolarHBondContact O-N 3.46Å; N22-F91 HydrophobicContact CB-CD1 4.22Å; N22-F91 WeakPolarHBondContact O-CB 3.33Å |
| 23 | F | 87.9 | Confident | 77.2 | Confident | 75 Ų | 75 | 77.3 Ų | 77.3 | 33% | 0.329 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 175.9 | 177.2 | -91.4 | 0 | 0 | 0 | 111.7 | S19 P20 V21 I25 G26 L27 L96 | S19-F23 PolarHBondContact O-N 2.9Å; S19-F23 VanDerWaalsContact O-N 3.17Å; P20-F23 WeakPolarHBondContact O-CB 3.34Å; P20-F23 PolarHBondContact O-N 3.23Å; V21-F23 VanDerWaalsContact C-N 3.29Å; V21-F23 PolarHBondContact O-N 3.29Å; F23-I25 PolarHBondContact O-N 3.36Å; F23-G26 PolarHBondContact O-N 3.46Å; F23-L27 PolarHBondContact O-N 2.85Å; F23-L96 HydrophobicContact CE2-CD2 3.75Å; F23-L96 HydrophobicContact CZ-CD1 4.22Å; F23-L96 HydrophobicContact CZ-CD2 3.79Å |
| 24 | Y | 91.9 | Very high | 80.1 | Confident | 146 Ų | 146 | 74.3 Ų | 74.3 | 57% | 0.573 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.9 | -36.5 | 178.1 | -70.7 | -62.6 | 0 | 0 | 0 | 113 | P20 V21 L27 C28 | P20-Y24 HydrophobicContact CB-CE2 4.31Å; P20-Y24 WeakPolarHBondContact O-CD2 3.39Å; P20-Y24 PolarHBondContact O-N 3.41Å; V21-Y24 PolarHBondContact O-N 3.33Å; Y24-L27 HydrophobicContact CD1-CD2 4.44Å; Y24-L27 PolarHBondContact O-N 3.16Å; Y24-C28 WeakPolarHBondContact O-CB 3.42Å; Y24-C28 PolarHBondContact O-N 3.25Å; Y24-C28 PolarHBondContact O-SG 3.16Å; Y24-C28 VanDerWaalsContact O-SG 3.41Å |
| 25 | I | 93.8 | Very high | 82.8 | Confident | 68 Ų | 68 | 71.7 Ų | 71.7 | 35% | 0.349 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 172.9 | -70.7 | 166.1 | 0 | 0 | 0 | 110 | V21 N22 F23 L27 C28 L29 F91 | V21-I25 HydrophobicContact CG1-CD1 3.83Å; V21-I25 HydrophobicContact CG1-CG1 4.38Å; V21-I25 VanDerWaalsContact O-CG1 3.27Å; V21-I25 WeakPolarHBondContact O-CG1 3.48Å; V21-I25 PolarHBondContact O-N 3.25Å; N22-I25 PolarHBondContact O-N 3.48Å; F23-I25 PolarHBondContact O-N 3.36Å; I25-L27 VanDerWaalsContact C-N 3.35Å; I25-L27 PolarHBondContact O-N 2.93Å; I25-C28 PolarHBondContact O-N 2.89Å; I25-L29 HydrophobicContact CG2-CD1 3.84Å; I25-L29 HydrophobicContact CG2-CG 4.46Å; I25-L29 WeakPolarHBondContact O-CB 3.16Å; I25-L29 WeakPolarHBondContact O-CG 3.43Å; I25-L29 PolarHBondContact O-N 3.38Å; I25-F91 HydrophobicContact CG2-CB 4.47Å; I25-F91 HydrophobicContact CG2-CD1 4.3Å; I25-F91 HydrophobicContact CG2-CD2 3.96Å; I25-F91 HydrophobicContact CG2-CE2 4.25Å; I25-F91 HydrophobicContact CG2-CG 3.99Å |
| 26 | G | 92.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N22 F23 L29 A30 | N22-G26 PolarHBondContact O-N 3.46Å; F23-G26 PolarHBondContact O-N 3.46Å; G26-L29 PolarHBondContact O-N 3.03Å; G26-A30 WeakPolarHBondContact O-CB 3.47Å; G26-A30 PolarHBondContact O-N 3.04Å |
| 27 | L | 92.4 | Very high | 87.8 | Confident | 44 Ų | 44 | 63 Ų | 63 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 175.6 | 176.6 | 61.7 | 0 | 0 | 0 | 112.2 | F23 Y24 I25 L29 A30 L31 L96 L100 | F23-L27 PolarHBondContact O-N 2.85Å; Y24-L27 HydrophobicContact CD1-CD2 4.44Å; Y24-L27 PolarHBondContact O-N 3.16Å; I25-L27 VanDerWaalsContact C-N 3.35Å; I25-L27 PolarHBondContact O-N 2.93Å; L27-L29 PolarHBondContact O-N 3.35Å; L27-A30 PolarHBondContact O-N 2.93Å; L27-L31 HydrophobicContact CD1-CD1 4.17Å; L27-L31 HydrophobicContact CD1-CG 4.31Å; L27-L31 HydrophobicContact CG-CD1 4.21Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 3.24Å; L27-L96 HydrophobicContact CB-CD2 4.33Å; L27-L96 HydrophobicContact CD1-CD2 4.18Å; L27-L100 HydrophobicContact CD1-CD1 3.59Å |
| 28 | C | 95 | Very high | 90.3 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 55% | 0.547 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 178.3 | -75.2 | 0 | 0 | 0 | 0 | 111.8 | Y24 I25 L31 L32 | Y24-C28 WeakPolarHBondContact O-CB 3.42Å; Y24-C28 PolarHBondContact O-N 3.25Å; Y24-C28 PolarHBondContact O-SG 3.16Å; Y24-C28 VanDerWaalsContact O-SG 3.41Å; I25-C28 PolarHBondContact O-N 2.89Å; C28-L31 PolarHBondContact O-N 3.48Å; C28-L32 WeakPolarHBondContact O-CB 3.4Å; C28-L32 PolarHBondContact O-N 3.25Å |
| 29 | L | 95.6 | Very high | 92.4 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.2 | -75.1 | 170.2 | 0 | 0 | 0 | 112 | I25 G26 L27 L32 S33 V87 A88 F91 | I25-L29 HydrophobicContact CG2-CD1 3.84Å; I25-L29 HydrophobicContact CG2-CG 4.46Å; I25-L29 WeakPolarHBondContact O-CB 3.16Å; I25-L29 WeakPolarHBondContact O-CG 3.43Å; I25-L29 PolarHBondContact O-N 3.38Å; G26-L29 PolarHBondContact O-N 3.03Å; L27-L29 PolarHBondContact O-N 3.35Å; L29-L32 PolarHBondContact O-N 2.96Å; L29-S33 WeakPolarHBondContact O-CB 3.48Å; L29-S33 PolarHBondContact O-N 2.89Å; L29-V87 HydrophobicContact CD1-CB 4.37Å; L29-V87 HydrophobicContact CD1-CG1 3.75Å; L29-A88 HydrophobicContact CB-CB 3.9Å; L29-F91 HydrophobicContact CD1-CD2 3.99Å; L29-F91 HydrophobicContact CD1-CE2 4.38Å |
| 30 | A | 94.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G26 L27 L32 S33 T34 A88 V97 L100 | G26-A30 WeakPolarHBondContact O-CB 3.47Å; G26-A30 PolarHBondContact O-N 3.04Å; L27-A30 PolarHBondContact O-N 2.93Å; A30-L32 PolarHBondContact O-N 3.33Å; A30-S33 WeakPolarHBondContact O-CB 3.44Å; A30-S33 PolarHBondContact O-N 3.13Å; A30-T34 PolarHBondContact O-N 3.31Å; A30-T34 PolarHBondContact O-OG1 3.41Å; A30-A88 HydrophobicContact CB-CB 4.13Å; A30-V97 HydrophobicContact CB-CG1 4.26Å; A30-L100 HydrophobicContact CB-CB 4.23Å; A30-L100 HydrophobicContact CB-CD1 3.62Å |
| 31 | L | 94.8 | Very high | 94.2 | Very high | 74 Ų | 74 | 46.3 Ų | 46.3 | 39% | 0.387 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64 | -38.9 | 176.9 | -71.3 | 171.7 | 0 | 0 | 0 | 112.9 | L27 C28 T34 L35 L100 | L27-L31 HydrophobicContact CD1-CD1 4.17Å; L27-L31 HydrophobicContact CD1-CG 4.31Å; L27-L31 HydrophobicContact CG-CD1 4.21Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 3.24Å; C28-L31 PolarHBondContact O-N 3.48Å; L31-T34 WeakPolarHBondContact O-CB 3.47Å; L31-T34 PolarHBondContact O-N 3.09Å; L31-L35 WeakPolarHBondContact O-CG 3.36Å; L31-L35 PolarHBondContact O-N 3.23Å; L31-L35 VanDerWaalsContact O-N 3.1Å; L31-L100 HydrophobicContact CD2-CD2 3.91Å |
| 32 | L | 96.2 | Very high | 94.6 | Very high | 74 Ų | 74 | 42.2 Ų | 42.2 | 39% | 0.387 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.3 | -42.6 | 176.4 | -172.7 | 67.7 | 0 | 0 | 0 | 111.1 | C28 L29 A30 T34 L35 F36 | C28-L32 WeakPolarHBondContact O-CB 3.4Å; C28-L32 PolarHBondContact O-N 3.25Å; L29-L32 PolarHBondContact O-N 2.96Å; A30-L32 PolarHBondContact O-N 3.33Å; L32-T34 VanDerWaalsContact C-N 3.35Å; L32-T34 PolarHBondContact O-N 3.36Å; L32-L35 PolarHBondContact O-N 3.44Å; L32-F36 HydrophobicContact CD1-CE1 4.06Å; L32-F36 HydrophobicContact CD1-CE2 3.97Å; L32-F36 HydrophobicContact CD1-CZ 3.7Å; L32-F36 HydrophobicContact CD2-CE2 3.74Å; L32-F36 HydrophobicContact CD2-CZ 4.09Å; L32-F36 HydrophobicContact CG-CD2 4.01Å; L32-F36 HydrophobicContact CG-CE1 4.5Å; L32-F36 HydrophobicContact CG-CE2 3.55Å; L32-F36 HydrophobicContact CG-CZ 3.84Å; L32-F36 WeakPolarHBondContact O-CG 3.47Å; L32-F36 PolarHBondContact O-N 3.25Å |
| 33 | S | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.9 | -50.5 | 171.8 | 164.1 | 0 | 0 | 0 | 0 | 111.2 | L29 A30 L35 F36 I37 G81 N85 | L29-S33 WeakPolarHBondContact O-CB 3.48Å; L29-S33 PolarHBondContact O-N 2.89Å; A30-S33 WeakPolarHBondContact O-CB 3.44Å; A30-S33 PolarHBondContact O-N 3.13Å; S33-L35 VanDerWaalsContact C-N 3.27Å; S33-L35 PolarHBondContact O-N 3.1Å; S33-F36 PolarHBondContact O-N 3.27Å; S33-F36 VanDerWaalsContact O-N 3.13Å; S33-I37 WeakPolarHBondContact O-CB 3.49Å; S33-I37 WeakPolarHBondContact O-CG1 3.37Å; S33-I37 PolarHBondContact O-N 3.05Å; S33-I37 WeakPolarHBondContact OG-CD1 3.34Å; S33-G81 VanDerWaalsContact CB-O 3.23Å; S33-G81 WeakPolarHBondContact CB-O 3.27Å; S33-G81 PolarHBondContact OG-O 2.86Å; S33-N85 WeakPolarHBondContact OG-CB 3.33Å |
| 34 | T | 94.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -52.2 | -45.9 | 176.8 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | A30 L31 L32 G38 L100 L103 S104 V107 | A30-T34 PolarHBondContact O-N 3.31Å; A30-T34 PolarHBondContact O-OG1 3.41Å; L31-T34 WeakPolarHBondContact O-CB 3.47Å; L31-T34 PolarHBondContact O-N 3.09Å; L32-T34 VanDerWaalsContact C-N 3.35Å; L32-T34 PolarHBondContact O-N 3.36Å; T34-G38 PolarHBondContact O-N 2.93Å; T34-L100 WeakPolarHBondContact CG2-O 3.33Å; T34-L100 PolarHBondContact OG1-O 3.36Å; T34-L103 HydrophobicContact CG2-CB 3.49Å; T34-L103 VanDerWaalsContact CG2-CB 3.49Å; T34-S104 WeakPolarHBondContact O-CB 3.48Å; T34-V107 HydrophobicContact CG2-CG2 4.11Å |
| 35 | L | 96.4 | Very high | 95.7 | Very high | 90 Ų | 90 | 31.8 Ų | 31.8 | 47% | 0.471 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.4 | -45.1 | 178.7 | -71.8 | 171.8 | 0 | 0 | 0 | 112 | L31 L32 S33 T39 V107 | L31-L35 WeakPolarHBondContact O-CG 3.36Å; L31-L35 PolarHBondContact O-N 3.23Å; L31-L35 VanDerWaalsContact O-N 3.1Å; L32-L35 PolarHBondContact O-N 3.44Å; S33-L35 VanDerWaalsContact C-N 3.27Å; S33-L35 PolarHBondContact O-N 3.1Å; L35-T39 WeakPolarHBondContact O-CB 3.35Å; L35-T39 PolarHBondContact O-N 2.97Å; L35-T39 PolarHBondContact O-OG1 2.71Å; L35-V107 HydrophobicContact CD2-CG1 4.23Å; L35-V107 HydrophobicContact CD2-CG2 4.17Å |
| 36 | F | 97.4 | Very high | 95.9 | Very high | 58 Ų | 58 | 31 Ų | 31 | 25% | 0.254 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65.1 | -47.6 | 179 | -71.8 | -21.5 | 0 | 0 | 0 | 112.4 | L32 S33 T39 S40 L77 I80 | L32-F36 HydrophobicContact CD1-CE1 4.06Å; L32-F36 HydrophobicContact CD1-CE2 3.97Å; L32-F36 HydrophobicContact CD1-CZ 3.7Å; L32-F36 HydrophobicContact CD2-CE2 3.74Å; L32-F36 HydrophobicContact CD2-CZ 4.09Å; L32-F36 HydrophobicContact CG-CD2 4.01Å; L32-F36 HydrophobicContact CG-CE1 4.5Å; L32-F36 HydrophobicContact CG-CE2 3.55Å; L32-F36 HydrophobicContact CG-CZ 3.84Å; L32-F36 WeakPolarHBondContact O-CG 3.47Å; L32-F36 PolarHBondContact O-N 3.25Å; S33-F36 PolarHBondContact O-N 3.27Å; S33-F36 VanDerWaalsContact O-N 3.13Å; F36-T39 PolarHBondContact O-N 3.43Å; F36-S40 WeakPolarHBondContact O-CB 3.45Å; F36-S40 PolarHBondContact O-N 2.96Å; F36-L77 HydrophobicContact CB-CD1 4.02Å; F36-L77 HydrophobicContact CB-CG 3.98Å; F36-L77 HydrophobicContact CD1-CD1 3.45Å; F36-L77 VanDerWaalsContact CD1-CD1 3.45Å; F36-L77 HydrophobicContact CD1-CG 4.18Å; F36-L77 HydrophobicContact CE1-CD1 3.96Å; F36-L77 HydrophobicContact CG-CD1 3.76Å; F36-L77 HydrophobicContact CG-CG 4.28Å; F36-I80 HydrophobicContact CD2-CB 4.46Å; F36-I80 HydrophobicContact CD2-CG2 3.74Å; F36-I80 HydrophobicContact CE2-CG2 3.69Å |
| 37 | I | 96.1 | Very high | 96 | Very high | 13 Ų | 13 | 31 Ų | 31 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -48.8 | 176.8 | -65 | 172.1 | 0 | 0 | 0 | 109.7 | S33 T39 S40 F41 E82 | S33-I37 WeakPolarHBondContact O-CB 3.49Å; S33-I37 WeakPolarHBondContact O-CG1 3.37Å; S33-I37 PolarHBondContact O-N 3.05Å; S33-I37 WeakPolarHBondContact OG-CD1 3.34Å; I37-T39 PolarHBondContact O-N 2.88Å; I37-S40 WeakPolarHBondContact O-CB 3.3Å; I37-S40 PolarHBondContact O-N 3.03Å; I37-S40 PolarHBondContact O-OG 3.28Å; I37-F41 HydrophobicContact CG2-CE2 4.11Å; I37-F41 VanDerWaalsContact O-CD2 3.25Å; I37-F41 WeakPolarHBondContact O-CD2 3.45Å; I37-E82 HydrophobicContact CD1-CG 4.36Å |
| 38 | G | 95.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -43.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T34 S40 S104 S108 | T34-G38 PolarHBondContact O-N 2.93Å; G38-S40 VanDerWaalsContact C-N 3.33Å; G38-S40 PolarHBondContact O-N 3.47Å; G38-S104 WeakPolarHBondContact CA-O 3.13Å; G38-S108 WeakPolarHBondContact O-CB 3.44Å |
| 39 | T | 96.6 | Very high | 96.3 | Very high | 36 Ų | 36 | 29.3 Ų | 29.3 | 22% | 0.221 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.8 | -30.9 | 178.6 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | L35 F36 I37 F41 I42 F43 L77 L111 | L35-T39 WeakPolarHBondContact O-CB 3.35Å; L35-T39 PolarHBondContact O-N 2.97Å; L35-T39 PolarHBondContact O-OG1 2.71Å; F36-T39 PolarHBondContact O-N 3.43Å; I37-T39 PolarHBondContact O-N 2.88Å; T39-F41 PolarHBondContact O-N 3.47Å; T39-I42 WeakPolarHBondContact O-CB 3.25Å; T39-I42 PolarHBondContact O-N 3.4Å; T39-F43 HydrophobicContact CG2-CD2 3.85Å; T39-F43 HydrophobicContact CG2-CE2 3.68Å; T39-F43 PolarHBondContact O-N 3.49Å; T39-L77 HydrophobicContact CG2-CD2 3.86Å; T39-L111 HydrophobicContact CG2-CD1 4.43Å; T39-L111 WeakPolarHBondContact OG1-CD1 3.49Å |
| 40 | S | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.4 | -39.1 | 178.9 | 80 | 0 | 0 | 0 | 0 | 112.7 | F36 I37 G38 I42 F43 K44 G74 | F36-S40 WeakPolarHBondContact O-CB 3.45Å; F36-S40 PolarHBondContact O-N 2.96Å; I37-S40 WeakPolarHBondContact O-CB 3.3Å; I37-S40 PolarHBondContact O-N 3.03Å; I37-S40 PolarHBondContact O-OG 3.28Å; G38-S40 VanDerWaalsContact C-N 3.33Å; G38-S40 PolarHBondContact O-N 3.47Å; S40-I42 PolarHBondContact O-N 3.4Å; S40-F43 PolarHBondContact O-N 2.83Å; S40-K44 VanDerWaalsContact O-CE 3.23Å; S40-K44 WeakPolarHBondContact O-CE 3.36Å; S40-K44 VanDerWaalsContact O-CG 3.3Å; S40-K44 WeakPolarHBondContact O-CG 3.47Å; S40-K44 PolarHBondContact O-N 3.36Å; S40-G74 VanDerWaalsContact CB-O 3.24Å; S40-G74 WeakPolarHBondContact CB-O 3.34Å |
| 41 | F | 96.4 | Very high | 96.2 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -35.9 | 178.3 | -77.1 | -81.8 | 0 | 0 | 0 | 112 | I37 T39 K45 L250 L254 T259 T263 L266 | I37-F41 HydrophobicContact CG2-CE2 4.11Å; I37-F41 VanDerWaalsContact O-CD2 3.25Å; I37-F41 WeakPolarHBondContact O-CD2 3.45Å; T39-F41 PolarHBondContact O-N 3.47Å; F41-K45 VanDerWaalsContact O-CB 3.26Å; F41-K45 WeakPolarHBondContact O-CB 3.36Å; F41-K45 PolarHBondContact O-N 3.48Å; F41-L250 HydrophobicContact CE1-CD1 4.13Å; F41-L250 HydrophobicContact CE1-CD2 3.94Å; F41-L254 HydrophobicContact CD1-CD1 3.91Å; F41-L254 HydrophobicContact CD1-CD2 4.15Å; F41-L254 HydrophobicContact CE1-CD1 4.4Å; F41-T259 HydrophobicContact CB-CG2 4.18Å; F41-T263 HydrophobicContact CB-CG2 4.2Å; F41-T263 HydrophobicContact CD1-CG2 3.63Å; F41-T263 HydrophobicContact CD2-CG2 4.12Å; F41-T263 HydrophobicContact CE1-CG2 3.97Å; F41-T263 HydrophobicContact CE2-CG2 4.44Å; F41-T263 HydrophobicContact CG-CG2 3.71Å; F41-T263 HydrophobicContact CZ-CG2 4.38Å; F41-L266 HydrophobicContact CE1-CD2 3.91Å; F41-L266 HydrophobicContact CZ-CD2 3.78Å |
| 42 | I | 96.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.2 | -49.1 | -178.9 | -49.1 | -59.8 | 0 | 0 | 0 | 110.5 | T39 S40 K44 K45 L46 S108 L111 F115 L116 | T39-I42 WeakPolarHBondContact O-CB 3.25Å; T39-I42 PolarHBondContact O-N 3.4Å; S40-I42 PolarHBondContact O-N 3.4Å; I42-K44 VanDerWaalsContact C-N 3.33Å; I42-K44 PolarHBondContact O-N 2.95Å; I42-K45 PolarHBondContact O-N 2.91Å; I42-L46 HydrophobicContact CG2-CD1 4Å; I42-L46 HydrophobicContact CG2-CG 4.41Å; I42-L46 WeakPolarHBondContact O-CB 3.42Å; I42-L46 VanDerWaalsContact O-CG 3.27Å; I42-L46 WeakPolarHBondContact O-CG 3.49Å; I42-L46 PolarHBondContact O-N 2.84Å; I42-S108 WeakPolarHBondContact CD1-O 2.97Å; I42-L111 HydrophobicContact CD1-CB 3.65Å; I42-L111 HydrophobicContact CG1-CB 3.59Å; I42-L111 HydrophobicContact CG1-CD1 4.1Å; I42-F115 HydrophobicContact CG2-CB 3.79Å; I42-F115 HydrophobicContact CG2-CG 4.4Å; I42-L116 HydrophobicContact CB-CD1 4.49Å; I42-L116 HydrophobicContact CD1-CD1 3.74Å; I42-L116 HydrophobicContact CG2-CD1 4Å; I42-L116 HydrophobicContact CG2-CG 4.42Å |
| 43 | F | 97.4 | Very high | 96 | Very high | 48 Ų | 48 | 39.3 Ų | 39.3 | 21% | 0.211 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | 176.4 | -84 | -78.4 | 0 | 0 | 0 | 111.9 | T39 S40 L46 A47 M70 M73 L77 | T39-F43 HydrophobicContact CG2-CD2 3.85Å; T39-F43 HydrophobicContact CG2-CE2 3.68Å; T39-F43 PolarHBondContact O-N 3.49Å; S40-F43 PolarHBondContact O-N 2.83Å; F43-L46 PolarHBondContact O-N 3.25Å; F43-A47 WeakPolarHBondContact O-CB 3.41Å; F43-A47 PolarHBondContact O-N 3.45Å; F43-M70 HydrophobicContact CD1-CE 4.46Å; F43-M73 HydrophobicContact CD1-CE 4.33Å; F43-M73 HydrophobicContact CD1-CG 4.21Å; F43-M73 HydrophobicContact CD1-SD 3.68Å; F43-M73 HydrophobicContact CE1-CE 3.62Å; F43-M73 HydrophobicContact CE1-CG 4.35Å; F43-M73 HydrophobicContact CE1-SD 3.29Å; F43-M73 WeakPolarHBondContact CE1-SD 3.24Å; F43-M73 HydrophobicContact CE2-CE 3.82Å; F43-M73 HydrophobicContact CE2-SD 4.42Å; F43-M73 HydrophobicContact CG-CG 4.47Å; F43-M73 HydrophobicContact CG-SD 4.39Å; F43-M73 HydrophobicContact CZ-CE 3.32Å; F43-M73 HydrophobicContact CZ-SD 3.72Å; F43-L77 HydrophobicContact CD2-CD2 4.4Å |
| 44 | K | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -50.3 | 175.8 | -71.1 | -180 | -73.2 | -175.4 | 0 | 111.5 | S40 I42 L46 A47 L48 M78 M247 | S40-K44 VanDerWaalsContact O-CE 3.23Å; S40-K44 WeakPolarHBondContact O-CE 3.36Å; S40-K44 VanDerWaalsContact O-CG 3.3Å; S40-K44 WeakPolarHBondContact O-CG 3.47Å; S40-K44 PolarHBondContact O-N 3.36Å; I42-K44 VanDerWaalsContact C-N 3.33Å; I42-K44 PolarHBondContact O-N 2.95Å; K44-L46 PolarHBondContact O-N 3.35Å; K44-A47 PolarHBondContact O-N 3.12Å; K44-L48 VanDerWaalsContact O-CG 3.23Å; K44-L48 WeakPolarHBondContact O-CG 3.4Å; K44-L48 PolarHBondContact O-N 2.99Å; K44-M78 PolarHBondContact NZ-SD 3.49Å; K44-M247 HydrophobicContact CD-CE 3.25Å; K44-M247 HydrophobicContact CG-CE 4.32Å |
| 45 | K | 97 | Very high | 95.3 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -39 | 179.5 | -177.6 | 76.4 | -177.6 | -173.9 | 0 | 112.2 | F41 I42 L48 R49 L116 E118 L254 D255 F257 | F41-K45 VanDerWaalsContact O-CB 3.26Å; F41-K45 WeakPolarHBondContact O-CB 3.36Å; F41-K45 PolarHBondContact O-N 3.48Å; I42-K45 PolarHBondContact O-N 2.91Å; K45-L48 PolarHBondContact O-N 3.13Å; K45-R49 WeakPolarHBondContact O-CG 3.42Å; K45-R49 PolarHBondContact O-N 3.29Å; K45-L116 HydrophobicContact CB-CD1 3.99Å; K45-L116 HydrophobicContact CB-CD2 3.99Å; K45-L116 HydrophobicContact CG-CD1 3.81Å; K45-L116 HydrophobicContact CG-CD2 3.38Å; K45-L116 HydrophobicContact CG-CG 4.25Å; K45-E118 WeakPolarHBondContact CE-OE1 3.31Å; K45-E118 IonicContact NZ-OE1 3.4Å; K45-L254 HydrophobicContact CD-CB 4.37Å; K45-L254 WeakPolarHBondContact CD-O 3.36Å; K45-L254 WeakPolarHBondContact CE-O 3.3Å; K45-L254 PolarHBondContact NZ-O 2.92Å; K45-D255 PolarHBondContact NZ-O 3.04Å; K45-F257 PolarHBondContact NZ-O 3.48Å |
| 46 | L | 96.7 | Very high | 95.1 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.7 | -45 | 174.7 | -75.3 | 169.3 | 0 | 0 | 0 | 111.6 | I42 F43 K44 R49 R50 M70 L116 | I42-L46 HydrophobicContact CG2-CD1 4Å; I42-L46 HydrophobicContact CG2-CG 4.41Å; I42-L46 WeakPolarHBondContact O-CB 3.42Å; I42-L46 VanDerWaalsContact O-CG 3.27Å; I42-L46 WeakPolarHBondContact O-CG 3.49Å; I42-L46 PolarHBondContact O-N 2.84Å; F43-L46 PolarHBondContact O-N 3.25Å; K44-L46 PolarHBondContact O-N 3.35Å; L46-R49 PolarHBondContact O-N 2.85Å; L46-R50 PolarHBondContact O-N 3.38Å; L46-M70 HydrophobicContact CB-CE 3.71Å; L46-M70 HydrophobicContact CD1-CE 3.99Å; L46-M70 HydrophobicContact CG-CE 4.46Å; L46-L116 HydrophobicContact CD2-CD2 3.89Å; L46-L116 HydrophobicContact CD2-CG 4.4Å; L46-L116 HydrophobicContact CG-CD2 4.1Å |
| 47 | A | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F43 K44 R50 S51 E68 M70 W71 | F43-A47 WeakPolarHBondContact O-CB 3.41Å; F43-A47 PolarHBondContact O-N 3.45Å; K44-A47 PolarHBondContact O-N 3.12Å; A47-R50 WeakPolarHBondContact O-CB 3.44Å; A47-R50 PolarHBondContact O-N 2.96Å; A47-S51 PolarHBondContact O-N 3.34Å; A47-E68 HydrophobicContact CB-CB 4.05Å; A47-M70 HydrophobicContact CB-CB 3.87Å; A47-W71 HydrophobicContact CB-CB 3.59Å; A47-W71 VanDerWaalsContact CB-N 3.35Å |
| 48 | L | 97 | Very high | 94.8 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 175.9 | -68.3 | 167.3 | 0 | 0 | 0 | 111.5 | K44 K45 R50 S51 S52 A58 Y65 N251 L254 D255 | K44-L48 VanDerWaalsContact O-CG 3.23Å; K44-L48 WeakPolarHBondContact O-CG 3.4Å; K44-L48 PolarHBondContact O-N 2.99Å; K45-L48 PolarHBondContact O-N 3.13Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 3.32Å; L48-S51 PolarHBondContact O-N 3.05Å; L48-S52 VanDerWaalsContact O-CB 3.32Å; L48-S52 WeakPolarHBondContact O-CB 3.3Å; L48-S52 PolarHBondContact O-N 2.98Å; L48-A58 HydrophobicContact CD2-CB 3.59Å; L48-Y65 HydrophobicContact CD2-CD1 3.67Å; L48-Y65 HydrophobicContact CD2-CD2 4.28Å; L48-Y65 HydrophobicContact CD2-CE1 4.29Å; L48-Y65 HydrophobicContact CD2-CG 3.64Å; L48-N251 HydrophobicContact CD1-CB 4.26Å; L48-N251 HydrophobicContact CD2-CB 4.07Å; L48-L254 HydrophobicContact CD1-CB 3.72Å; L48-D255 HydrophobicContact CB-CB 4.45Å; L48-D255 HydrophobicContact CD1-CB 4.48Å |
| 49 | R | 95 | Very high | 94.7 | Very high | 89 Ų | 89 | 44.9 Ų | 44.9 | 34% | 0.336 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60 | -38.9 | 175 | -74.6 | -176.1 | 177.8 | -170.6 | 4.8 | 112 | K45 L46 S52 R53 L116 E118 | K45-R49 WeakPolarHBondContact O-CG 3.42Å; K45-R49 PolarHBondContact O-N 3.29Å; L46-R49 PolarHBondContact O-N 2.85Å; R49-S52 PolarHBondContact O-N 2.89Å; R49-R53 VanDerWaalsContact O-CG 3.31Å; R49-R53 WeakPolarHBondContact O-CG 3.42Å; R49-R53 PolarHBondContact O-N 3.11Å; R49-L116 PolarHBondContact NH1-O 3.4Å; R49-L116 PolarHBondContact NH2-O 3.06Å; R49-E118 IonicContact CZ-OE1 3.65Å; R49-E118 IonicContact NH2-OE1 3.05Å; R49-E118 PolarHBondContact NH2-OE1 3.32Å |
| 50 | R | 94.5 | Very high | 94.5 | Very high | 126 Ų | 126 | 48 Ų | 48 | 48% | 0.475 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.2 | -45 | 177 | -174.6 | 175.1 | 164.9 | 147 | 6.2 | 111.8 | L46 A47 L48 R53 E68 | L46-R50 PolarHBondContact O-N 3.38Å; A47-R50 WeakPolarHBondContact O-CB 3.44Å; A47-R50 PolarHBondContact O-N 2.96Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 3.32Å; R50-R53 PolarHBondContact O-N 3.16Å; R50-E68 WeakPolarHBondContact CD-OE1 3.44Å; R50-E68 VanDerWaalsContact CD-OE2 3.25Å; R50-E68 WeakPolarHBondContact CD-OE2 3.28Å; R50-E68 WeakPolarHBondContact CG-OE1 3.34Å; R50-E68 IonicContact CZ-OE2 3.73Å; R50-E68 IonicContact NE-OE1 3.89Å; R50-E68 PolarHBondContact NE-OE1 3.22Å; R50-E68 IonicContact NE-OE2 3.81Å; R50-E68 PolarHBondContact NE-OE2 3.26Å |
| 51 | S | 93.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.028 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 174.1 | -174.4 | 0 | 0 | 0 | 0 | 112.1 | A47 L48 R53 N54 L56 S64 Y65 | A47-S51 PolarHBondContact O-N 3.34Å; L48-S51 PolarHBondContact O-N 3.05Å; S51-R53 VanDerWaalsContact C-N 3.34Å; S51-R53 PolarHBondContact O-N 2.77Å; S51-N54 WeakPolarHBondContact O-CB 3.39Å; S51-N54 PolarHBondContact O-N 3.48Å; S51-N54 VanDerWaalsContact O-N 3.09Å; S51-L56 CarbonylContact C-O 3.15Å; S51-L56 PolarHBondContact O-N 3.21Å; S51-L56 PolarHBondContact OG-O 2.64Å; S51-S64 WeakPolarHBondContact OG-CB 3.33Å; S51-Y65 PolarHBondContact OG-N 3.31Å |
| 52 | S | 93.9 | Very high | 94.2 | Very high | 46 Ų | 46 | 49.8 Ų | 49.8 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.8 | -34.9 | -179.3 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | L48 R49 N54 G55 | L48-S52 VanDerWaalsContact O-CB 3.32Å; L48-S52 WeakPolarHBondContact O-CB 3.3Å; L48-S52 PolarHBondContact O-N 2.98Å; R49-S52 PolarHBondContact O-N 2.89Å; S52-N54 PolarHBondContact O-N 2.97Å; S52-G55 PolarHBondContact O-N 3.45Å |
| 53 | R | 92.6 | Very high | 94.1 | Very high | 225 Ų | 225 | 53.8 Ų | 53.8 | 85% | 0.849 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.6 | -24 | 173.2 | -74.2 | 174.7 | 104.1 | -177.8 | 5.7 | 113.6 | R49 R50 S51 G55 | R49-R53 VanDerWaalsContact O-CG 3.31Å; R49-R53 WeakPolarHBondContact O-CG 3.42Å; R49-R53 PolarHBondContact O-N 3.11Å; R50-R53 PolarHBondContact O-N 3.16Å; S51-R53 VanDerWaalsContact C-N 3.34Å; S51-R53 PolarHBondContact O-N 2.77Å; R53-G55 PolarHBondContact O-N 3.38Å |
| 54 | N | 89.5 | Confident | 93.9 | Very high | 118 Ų | 118 | 53.2 Ų | 53.2 | 63% | 0.631 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 11.9 | 175.1 | -61.4 | -22.3 | 0 | 0 | 0 | 112.6 | S51 S52 L56 | S51-N54 WeakPolarHBondContact O-CB 3.39Å; S51-N54 PolarHBondContact O-N 3.48Å; S51-N54 VanDerWaalsContact O-N 3.09Å; S52-N54 PolarHBondContact O-N 2.97Å; N54-L56 VanDerWaalsContact C-N 3.28Å; N54-L56 PolarHBondContact O-N 3.39Å |
| 55 | G | 88.1 | Confident | 93.8 | Very high | 65 Ų | 65 | 53.5 Ų | 53.5 | 67% | 0.67 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 7.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S52 R53 | S52-G55 PolarHBondContact O-N 3.45Å; R53-G55 PolarHBondContact O-N 3.38Å |
| 56 | L | 91.6 | Very high | 93.7 | Very high | 83 Ų | 83 | 56 Ų | 56 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | trans | -115.5 | 71.6 | -174.6 | -64.2 | 169.9 | 0 | 0 | 0 | 109.7 | S51 N54 S64 | S51-L56 CarbonylContact C-O 3.15Å; S51-L56 PolarHBondContact O-N 3.21Å; S51-L56 PolarHBondContact OG-O 2.64Å; N54-L56 VanDerWaalsContact C-N 3.28Å; N54-L56 PolarHBondContact O-N 3.39Å; L56-S64 WeakPolarHBondContact CB-OG 3.43Å; L56-S64 VanDerWaalsContact CD1-OG 3.28Å; L56-S64 WeakPolarHBondContact CD1-OG 3.45Å | ||
| 57 | S | 93.6 | Very high | 93.6 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | trans | -76 | 133.7 | -179.1 | 166.5 | 0 | 0 | 0 | 0 | 112 | G59 D60 S62 D255 | S57-G59 PolarHBondContact O-N 3.33Å; S57-G59 PolarHBondContact OG-N 2.95Å; S57-G59 VanDerWaalsContact OG-N 3.12Å; S57-D60 PolarHBondContact O-N 3.45Å; S57-S62 VanDerWaalsContact O-CB 3.22Å; S57-S62 WeakPolarHBondContact O-CB 3.35Å; S57-S62 PolarHBondContact O-N 3.34Å; S57-S62 VanDerWaalsContact O-N 3.15Å; S57-D255 WeakPolarHBondContact CB-OD2 3.39Å; S57-D255 PolarHBondContact OG-OD2 3.49Å | ||
| 58 | A | 94.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -66.2 | -31.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L48 D60 G61 S62 Y65 R252 D255 | L48-A58 HydrophobicContact CD2-CB 3.59Å; A58-D60 PolarHBondContact O-N 3.38Å; A58-G61 WeakPolarHBondContact O-CA 3.35Å; A58-G61 PolarHBondContact O-N 3.27Å; A58-S62 WeakPolarHBondContact CA-O 2.98Å; A58-Y65 HydrophobicContact CB-CD1 3.61Å; A58-Y65 HydrophobicContact CB-CE1 3.57Å; A58-R252 WeakPolarHBondContact O-CG 3.31Å; A58-D255 HydrophobicContact CB-CB 3.98Å; A58-D255 PolarHBondContact N-OD2 2.95Å |
| 59 | G | 91.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -53.5 | -33.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S57 G61 R252 D255 | S57-G59 PolarHBondContact O-N 3.33Å; S57-G59 PolarHBondContact OG-N 2.95Å; S57-G59 VanDerWaalsContact OG-N 3.12Å; G59-G61 VanDerWaalsContact C-N 3.34Å; G59-R252 PolarHBondContact O-NE 3.41Å; G59-R252 PolarHBondContact O-NH2 2.9Å; G59-D255 PolarHBondContact N-OD2 2.88Å |
| 60 | D | 92.6 | Very high | 93.5 | Very high | 102 Ų | 102 | 65.3 Ų | 65.3 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -86.8 | -1.6 | 176.4 | -65.1 | -31.3 | 0 | 0 | 0 | 114.1 | S57 A58 K187 | S57-D60 PolarHBondContact O-N 3.45Å; A58-D60 PolarHBondContact O-N 3.38Å; D60-K187 WeakPolarHBondContact OD1-CE 3.31Å; D60-K187 IonicContact OD1-NZ 2.64Å; D60-K187 PolarHBondContact OD1-NZ 3.03Å |
| 61 | G | 92.4 | Very high | 93.7 | Very high | 27 Ų | 27 | 59.9 Ų | 59.9 | 28% | 0.278 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | 4.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A58 G59 Y248 | A58-G61 WeakPolarHBondContact O-CA 3.35Å; A58-G61 PolarHBondContact O-N 3.27Å; G59-G61 VanDerWaalsContact C-N 3.34Å; G61-Y248 WeakPolarHBondContact CA-OH 3.13Å |
| 62 | S | 94.3 | Very high | 93.9 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 19% | 0.189 | 35% | 0.348 | C | S | . | . | trans | -66.9 | 144 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | S57 A58 S64 Y65 | S57-S62 VanDerWaalsContact O-CB 3.22Å; S57-S62 WeakPolarHBondContact O-CB 3.35Å; S57-S62 PolarHBondContact O-N 3.34Å; S57-S62 VanDerWaalsContact O-N 3.15Å; A58-S62 WeakPolarHBondContact CA-O 2.98Å; S62-S64 PolarHBondContact OG-N 3.48Å; S62-S64 PolarHBondContact OG-OG 2.83Å; S62-Y65 WeakPolarHBondContact O-CE1 3.42Å | ||
| 63 | L | 95.6 | Very high | 94 | Very high | 90 Ų | 90 | 66.8 Ų | 66.8 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | trans | -103.9 | 10.8 | 175.2 | -63.4 | 179.5 | 0 | 0 | 0 | 113.1 | Y65 L66 Y248 | L63-Y65 HydrophobicContact CD2-CE1 4.14Å; L63-Y65 WeakPolarHBondContact CD2-OH 3.44Å; L63-Y65 PolarHBondContact O-N 2.89Å; L63-Y65 VanDerWaalsContact O-N 3.08Å; L63-L66 HydrophobicContact CB-CD1 4.04Å; L63-L66 HydrophobicContact CB-CG 4.49Å; L63-L66 VanDerWaalsContact O-CB 3.31Å; L63-L66 WeakPolarHBondContact O-CB 3.39Å; L63-L66 WeakPolarHBondContact O-CG 3.29Å; L63-L66 PolarHBondContact O-N 3.21Å; L63-Y248 HydrophobicContact CD2-CD2 3.63Å; L63-Y248 HydrophobicContact CD2-CE2 3.66Å | ||
| 64 | S | 93.9 | Very high | 94.3 | Very high | 37 Ų | 37 | 56 Ų | 56 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -61.4 | -21.6 | -175.1 | -58.7 | 0 | 0 | 0 | 0 | 114.4 | S51 L56 S62 L66 C67 | S51-S64 WeakPolarHBondContact OG-CB 3.33Å; L56-S64 WeakPolarHBondContact CB-OG 3.43Å; L56-S64 VanDerWaalsContact CD1-OG 3.28Å; L56-S64 WeakPolarHBondContact CD1-OG 3.45Å; S62-S64 PolarHBondContact OG-N 3.48Å; S62-S64 PolarHBondContact OG-OG 2.83Å; S64-L66 PolarHBondContact O-N 3.43Å; S64-C67 WeakPolarHBondContact O-CB 3.35Å; S64-C67 PolarHBondContact O-N 3.41Å |
| 65 | Y | 94.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -62.1 | -19.4 | 172.5 | 62.2 | -98.6 | 0 | 0 | 0 | 113.3 | L48 S51 A58 S62 L63 C67 E68 W71 N251 | L48-Y65 HydrophobicContact CD2-CD1 3.67Å; L48-Y65 HydrophobicContact CD2-CD2 4.28Å; L48-Y65 HydrophobicContact CD2-CE1 4.29Å; L48-Y65 HydrophobicContact CD2-CG 3.64Å; S51-Y65 PolarHBondContact OG-N 3.31Å; A58-Y65 HydrophobicContact CB-CD1 3.61Å; A58-Y65 HydrophobicContact CB-CE1 3.57Å; S62-Y65 WeakPolarHBondContact O-CE1 3.42Å; L63-Y65 HydrophobicContact CD2-CE1 4.14Å; L63-Y65 WeakPolarHBondContact CD2-OH 3.44Å; L63-Y65 PolarHBondContact O-N 2.89Å; L63-Y65 VanDerWaalsContact O-N 3.08Å; Y65-C67 PolarHBondContact O-N 3.34Å; Y65-E68 WeakPolarHBondContact O-CB 3.41Å; Y65-E68 PolarHBondContact O-N 2.97Å; Y65-E68 VanDerWaalsContact O-N 3.09Å; Y65-W71 AromaticContact CD2-CD1 3.62Å; Y65-W71 AromaticContact CD2-CD2 3.91Å; Y65-W71 HydrophobicContact CD2-CD2 3.91Å; Y65-W71 AromaticContact CD2-CE2 3.71Å; Y65-W71 AromaticContact CD2-CG 3.88Å; Y65-W71 HydrophobicContact CD2-CG 3.88Å; Y65-W71 HydrophobicContact CD2-CZ2 4.37Å; Y65-W71 AromaticContact CD2-NE1 3.5Å; Y65-W71 HydrophobicContact CE2-CD2 4.32Å; Y65-W71 AromaticContact CE2-CE2 3.71Å; Y65-W71 AromaticContact CE2-CZ2 3.94Å; Y65-W71 HydrophobicContact CE2-CZ2 3.94Å; Y65-W71 AromaticContact CE2-NE1 3.69Å; Y65-W71 WeakPolarHBondContact O-CB 3.45Å; Y65-N251 HydrophobicContact CE1-CB 4.39Å; Y65-N251 HydrophobicContact CE2-CB 4.41Å; Y65-N251 WeakPolarHBondContact CE2-ND2 3.45Å; Y65-N251 PolarHBondContact OH-ND2 3.23Å |
| 66 | L | 95.6 | Very high | 95.1 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 34% | 0.335 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -68 | -19 | 174 | -63.3 | 178.9 | 0 | 0 | 0 | 112.5 | L63 S64 E68 W71 W72 | L63-L66 HydrophobicContact CB-CD1 4.04Å; L63-L66 HydrophobicContact CB-CG 4.49Å; L63-L66 VanDerWaalsContact O-CB 3.31Å; L63-L66 WeakPolarHBondContact O-CB 3.39Å; L63-L66 WeakPolarHBondContact O-CG 3.29Å; L63-L66 PolarHBondContact O-N 3.21Å; S64-L66 PolarHBondContact O-N 3.43Å; L66-E68 VanDerWaalsContact C-N 3.33Å; L66-W71 HydrophobicContact CD2-CD2 4.25Å; L66-W71 HydrophobicContact CD2-CE3 3.81Å; L66-W71 HydrophobicContact CD2-CH2 3.43Å; L66-W71 VanDerWaalsContact CD2-CH2 3.43Å; L66-W71 HydrophobicContact CD2-CZ2 3.88Å; L66-W71 HydrophobicContact CD2-CZ3 3.38Å; L66-W72 PolarHBondContact O-NE1 3.37Å |
| 67 | C | 93.6 | Very high | 95.4 | Very high | 120 Ų | 120 | 52 Ų | 52 | 81% | 0.811 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -83.6 | -12.5 | 172.8 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | S64 Y65 | S64-C67 WeakPolarHBondContact O-CB 3.35Å; S64-C67 PolarHBondContact O-N 3.41Å; Y65-C67 PolarHBondContact O-N 3.34Å |
| 68 | E | 94.7 | Very high | 95.5 | Very high | 24 Ų | 24 | 53 Ų | 53 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | trans | -84.5 | 116 | -179.4 | -71.2 | -70.7 | 175.3 | 0 | 0 | 110.4 | A47 R50 Y65 L66 M70 W71 | A47-E68 HydrophobicContact CB-CB 4.05Å; R50-E68 WeakPolarHBondContact CD-OE1 3.44Å; R50-E68 VanDerWaalsContact CD-OE2 3.25Å; R50-E68 WeakPolarHBondContact CD-OE2 3.28Å; R50-E68 WeakPolarHBondContact CG-OE1 3.34Å; R50-E68 IonicContact CZ-OE2 3.73Å; R50-E68 IonicContact NE-OE1 3.89Å; R50-E68 PolarHBondContact NE-OE1 3.22Å; R50-E68 IonicContact NE-OE2 3.81Å; R50-E68 PolarHBondContact NE-OE2 3.26Å; Y65-E68 WeakPolarHBondContact O-CB 3.41Å; Y65-E68 PolarHBondContact O-N 2.97Å; Y65-E68 VanDerWaalsContact O-N 3.09Å; L66-E68 VanDerWaalsContact C-N 3.33Å; E68-M70 PolarHBondContact O-N 3.33Å; E68-M70 VanDerWaalsContact O-N 3.14Å; E68-W71 HydrophobicContact CB-CB 4.46Å; E68-W71 WeakPolarHBondContact O-CB 3.29Å; E68-W71 PolarHBondContact O-N 2.85Å | ||
| 69 | W | 96.4 | Very high | 95.5 | Very high | 158 Ų | 158 | 54.9 Ų | 54.9 | 60% | 0.598 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.3 | -30.4 | 179.5 | 75 | -90.5 | 0 | 0 | 0 | 112.7 | W71 W72 M73 | W69-W71 VanDerWaalsContact C-N 3.26Å; W69-W71 PolarHBondContact O-N 3.35Å; W69-W72 PolarHBondContact O-N 2.91Å; W69-M73 HydrophobicContact CE3-CB 4.43Å; W69-M73 HydrophobicContact CH2-SD 4.37Å; W69-M73 HydrophobicContact CZ3-CB 4.38Å; W69-M73 HydrophobicContact CZ3-SD 3.71Å; W69-M73 PolarHBondContact O-N 3.17Å |
| 70 | M | 96 | Very high | 95.7 | Very high | 33 Ų | 33 | 58.8 Ų | 58.8 | 16% | 0.163 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.9 | -32.1 | 176.4 | -66.1 | -179.9 | 69.6 | 0 | 0 | 112 | F43 L46 A47 E68 G74 | F43-M70 HydrophobicContact CD1-CE 4.46Å; L46-M70 HydrophobicContact CB-CE 3.71Å; L46-M70 HydrophobicContact CD1-CE 3.99Å; L46-M70 HydrophobicContact CG-CE 4.46Å; A47-M70 HydrophobicContact CB-CB 3.87Å; E68-M70 PolarHBondContact O-N 3.33Å; E68-M70 VanDerWaalsContact O-N 3.14Å; M70-G74 PolarHBondContact O-N 2.97Å; M70-G74 VanDerWaalsContact O-N 3.09Å |
| 71 | W | 97.5 | Very high | 95.9 | Very high | 12 Ų | 12 | 54 Ų | 54 | 5% | 0.045 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.9 | -45.5 | 176.8 | -178 | 85.7 | 0 | 0 | 0 | 110.4 | A47 Y65 L66 E68 W69 M73 G74 F75 M247 N251 | A47-W71 HydrophobicContact CB-CB 3.59Å; A47-W71 VanDerWaalsContact CB-N 3.35Å; Y65-W71 AromaticContact CD2-CD1 3.62Å; Y65-W71 AromaticContact CD2-CD2 3.91Å; Y65-W71 HydrophobicContact CD2-CD2 3.91Å; Y65-W71 AromaticContact CD2-CE2 3.71Å; Y65-W71 AromaticContact CD2-CG 3.88Å; Y65-W71 HydrophobicContact CD2-CG 3.88Å; Y65-W71 HydrophobicContact CD2-CZ2 4.37Å; Y65-W71 AromaticContact CD2-NE1 3.5Å; Y65-W71 HydrophobicContact CE2-CD2 4.32Å; Y65-W71 AromaticContact CE2-CE2 3.71Å; Y65-W71 AromaticContact CE2-CZ2 3.94Å; Y65-W71 HydrophobicContact CE2-CZ2 3.94Å; Y65-W71 AromaticContact CE2-NE1 3.69Å; Y65-W71 WeakPolarHBondContact O-CB 3.45Å; L66-W71 HydrophobicContact CD2-CD2 4.25Å; L66-W71 HydrophobicContact CD2-CE3 3.81Å; L66-W71 HydrophobicContact CD2-CH2 3.43Å; L66-W71 VanDerWaalsContact CD2-CH2 3.43Å; L66-W71 HydrophobicContact CD2-CZ2 3.88Å; L66-W71 HydrophobicContact CD2-CZ3 3.38Å; E68-W71 HydrophobicContact CB-CB 4.46Å; E68-W71 WeakPolarHBondContact O-CB 3.29Å; E68-W71 PolarHBondContact O-N 2.85Å; W69-W71 VanDerWaalsContact C-N 3.26Å; W69-W71 PolarHBondContact O-N 3.35Å; W71-M73 VanDerWaalsContact C-N 3.35Å; W71-M73 PolarHBondContact O-N 3.14Å; W71-G74 PolarHBondContact O-N 3.35Å; W71-G74 VanDerWaalsContact O-N 3.15Å; W71-F75 HydrophobicContact CH2-CB 4.43Å; W71-F75 HydrophobicContact CH2-CD2 4.29Å; W71-F75 HydrophobicContact CH2-CG 4.3Å; W71-F75 HydrophobicContact CZ2-CD2 4.48Å; W71-F75 HydrophobicContact CZ3-CB 4.38Å; W71-F75 PolarHBondContact O-N 3.19Å; W71-M247 HydrophobicContact CZ2-CE 3.83Å; W71-M247 HydrophobicContact CZ2-CG 3.96Å; W71-N251 WeakPolarHBondContact CZ2-ND2 3.24Å; W71-N251 PolarHBondContact NE1-ND2 3.14Å; W71-N251 PolarHBondContact NE1-OD1 3.47Å |
| 72 | W | 97.9 | Very high | 95.9 | Very high | 119 Ų | 119 | 57 Ų | 57 | 45% | 0.451 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.2 | -73.8 | 102.9 | 0 | 0 | 0 | 112.4 | L66 W69 G74 F75 I76 | L66-W72 PolarHBondContact O-NE1 3.37Å; W69-W72 PolarHBondContact O-N 2.91Å; W72-G74 VanDerWaalsContact C-N 3.3Å; W72-G74 PolarHBondContact O-N 3.13Å; W72-F75 HydrophobicContact CE3-CD1 4.37Å; W72-F75 HydrophobicContact CZ3-CD1 4.33Å; W72-F75 PolarHBondContact O-N 2.93Å; W72-I76 WeakPolarHBondContact O-CB 3.43Å; W72-I76 VanDerWaalsContact O-CG1 3.28Å; W72-I76 WeakPolarHBondContact O-CG1 3.19Å; W72-I76 PolarHBondContact O-N 3.49Å |
| 73 | M | 97.7 | Very high | 95.8 | Very high | 76 Ų | 76 | 62.4 Ų | 62.4 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.5 | -46.2 | 173.1 | -178.1 | 178.6 | 176.8 | 0 | 0 | 111.1 | F43 W69 W71 L77 | F43-M73 HydrophobicContact CD1-CE 4.33Å; F43-M73 HydrophobicContact CD1-CG 4.21Å; F43-M73 HydrophobicContact CD1-SD 3.68Å; F43-M73 HydrophobicContact CE1-CE 3.62Å; F43-M73 HydrophobicContact CE1-CG 4.35Å; F43-M73 HydrophobicContact CE1-SD 3.29Å; F43-M73 WeakPolarHBondContact CE1-SD 3.24Å; F43-M73 HydrophobicContact CE2-CE 3.82Å; F43-M73 HydrophobicContact CE2-SD 4.42Å; F43-M73 HydrophobicContact CG-CG 4.47Å; F43-M73 HydrophobicContact CG-SD 4.39Å; F43-M73 HydrophobicContact CZ-CE 3.32Å; F43-M73 HydrophobicContact CZ-SD 3.72Å; W69-M73 HydrophobicContact CE3-CB 4.43Å; W69-M73 HydrophobicContact CH2-SD 4.37Å; W69-M73 HydrophobicContact CZ3-CB 4.38Å; W69-M73 HydrophobicContact CZ3-SD 3.71Å; W69-M73 PolarHBondContact O-N 3.17Å; W71-M73 VanDerWaalsContact C-N 3.35Å; W71-M73 PolarHBondContact O-N 3.14Å; M73-L77 VanDerWaalsContact O-CB 3.26Å; M73-L77 WeakPolarHBondContact O-CB 3.45Å; M73-L77 PolarHBondContact O-N 3.27Å |
| 74 | G | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | S40 M70 W71 W72 L77 M78 | S40-G74 VanDerWaalsContact CB-O 3.24Å; S40-G74 WeakPolarHBondContact CB-O 3.34Å; M70-G74 PolarHBondContact O-N 2.97Å; M70-G74 VanDerWaalsContact O-N 3.09Å; W71-G74 PolarHBondContact O-N 3.35Å; W71-G74 VanDerWaalsContact O-N 3.15Å; W72-G74 VanDerWaalsContact C-N 3.3Å; W72-G74 PolarHBondContact O-N 3.13Å; G74-L77 PolarHBondContact O-N 2.76Å; G74-M78 PolarHBondContact O-N 3.42Å |
| 75 | F | 96.9 | Very high | 95.7 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 26% | 0.263 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 178.9 | -175.2 | -102.1 | 0 | 0 | 0 | 112.6 | W71 W72 M78 G79 I243 M247 | W71-F75 HydrophobicContact CH2-CB 4.43Å; W71-F75 HydrophobicContact CH2-CD2 4.29Å; W71-F75 HydrophobicContact CH2-CG 4.3Å; W71-F75 HydrophobicContact CZ2-CD2 4.48Å; W71-F75 HydrophobicContact CZ3-CB 4.38Å; W71-F75 PolarHBondContact O-N 3.19Å; W72-F75 HydrophobicContact CE3-CD1 4.37Å; W72-F75 HydrophobicContact CZ3-CD1 4.33Å; W72-F75 PolarHBondContact O-N 2.93Å; F75-M78 WeakPolarHBondContact O-CB 3.31Å; F75-M78 PolarHBondContact O-N 3.5Å; F75-G79 PolarHBondContact O-N 3.41Å; F75-G79 VanDerWaalsContact O-N 3.11Å; F75-I243 HydrophobicContact CE2-CG2 4.34Å; F75-I243 HydrophobicContact CZ-CG2 4.22Å; F75-M247 HydrophobicContact CD2-CE 4.24Å; F75-M247 HydrophobicContact CD2-CG 4.24Å; F75-M247 HydrophobicContact CD2-SD 4.08Å; F75-M247 HydrophobicContact CE2-CG 4.15Å; F75-M247 HydrophobicContact CE2-SD 4.25Å |
| 76 | I | 97.7 | Very high | 95.4 | Very high | 96 Ų | 96 | 63.8 Ų | 63.8 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.9 | -67.6 | 165.4 | 0 | 0 | 0 | 110.5 | W72 M78 G79 I80 | W72-I76 WeakPolarHBondContact O-CB 3.43Å; W72-I76 VanDerWaalsContact O-CG1 3.28Å; W72-I76 WeakPolarHBondContact O-CG1 3.19Å; W72-I76 PolarHBondContact O-N 3.49Å; I76-M78 VanDerWaalsContact C-N 3.28Å; I76-M78 PolarHBondContact O-N 2.89Å; I76-G79 PolarHBondContact O-N 2.98Å; I76-G79 VanDerWaalsContact O-N 3.08Å; I76-I80 HydrophobicContact CG2-CD1 3.94Å; I76-I80 HydrophobicContact CG2-CG1 4.37Å; I76-I80 WeakPolarHBondContact O-CG1 3.4Å; I76-I80 PolarHBondContact O-N 3.48Å |
| 77 | L | 97.7 | Very high | 95.2 | Very high | 26 Ų | 26 | 62.5 Ų | 62.5 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61 | -38.9 | 178.4 | -166.3 | 65.6 | 0 | 0 | 0 | 111.9 | F36 T39 F43 M73 G74 I80 G81 | F36-L77 HydrophobicContact CB-CD1 4.02Å; F36-L77 HydrophobicContact CB-CG 3.98Å; F36-L77 HydrophobicContact CD1-CD1 3.45Å; F36-L77 VanDerWaalsContact CD1-CD1 3.45Å; F36-L77 HydrophobicContact CD1-CG 4.18Å; F36-L77 HydrophobicContact CE1-CD1 3.96Å; F36-L77 HydrophobicContact CG-CD1 3.76Å; F36-L77 HydrophobicContact CG-CG 4.28Å; T39-L77 HydrophobicContact CG2-CD2 3.86Å; F43-L77 HydrophobicContact CD2-CD2 4.4Å; M73-L77 VanDerWaalsContact O-CB 3.26Å; M73-L77 WeakPolarHBondContact O-CB 3.45Å; M73-L77 PolarHBondContact O-N 3.27Å; G74-L77 PolarHBondContact O-N 2.76Å; L77-I80 PolarHBondContact O-N 3.11Å; L77-G81 PolarHBondContact O-N 3.46Å |
| 78 | M | 96.3 | Very high | 95.2 | Very high | 36 Ų | 36 | 56.8 Ų | 56.8 | 18% | 0.177 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 172.6 | -170.8 | -180 | 115.3 | 0 | 0 | 111.1 | K44 G74 F75 I76 I80 G81 E82 | K44-M78 PolarHBondContact NZ-SD 3.49Å; G74-M78 PolarHBondContact O-N 3.42Å; F75-M78 WeakPolarHBondContact O-CB 3.31Å; F75-M78 PolarHBondContact O-N 3.5Å; I76-M78 VanDerWaalsContact C-N 3.28Å; I76-M78 PolarHBondContact O-N 2.89Å; M78-I80 PolarHBondContact O-N 3.43Å; M78-G81 PolarHBondContact O-N 2.84Å; M78-E82 WeakPolarHBondContact O-CG 3.45Å; M78-E82 PolarHBondContact O-N 3.33Å |
| 79 | G | 94.9 | Very high | 94.8 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 42% | 0.423 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F75 I76 G81 E82 F83 | F75-G79 PolarHBondContact O-N 3.41Å; F75-G79 VanDerWaalsContact O-N 3.11Å; I76-G79 PolarHBondContact O-N 2.98Å; I76-G79 VanDerWaalsContact O-N 3.08Å; G79-G81 VanDerWaalsContact C-N 3.34Å; G79-E82 PolarHBondContact O-N 3.25Å; G79-F83 WeakPolarHBondContact O-CB 3.29Å; G79-F83 PolarHBondContact O-N 2.88Å |
| 80 | I | 96.9 | Very high | 94.4 | Very high | 82 Ų | 82 | 56 Ų | 56 | 42% | 0.421 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 174.8 | -64.7 | 170.1 | 0 | 0 | 0 | 110.4 | F36 I76 L77 M78 F83 A84 | F36-I80 HydrophobicContact CD2-CB 4.46Å; F36-I80 HydrophobicContact CD2-CG2 3.74Å; F36-I80 HydrophobicContact CE2-CG2 3.69Å; I76-I80 HydrophobicContact CG2-CD1 3.94Å; I76-I80 HydrophobicContact CG2-CG1 4.37Å; I76-I80 WeakPolarHBondContact O-CG1 3.4Å; I76-I80 PolarHBondContact O-N 3.48Å; L77-I80 PolarHBondContact O-N 3.11Å; M78-I80 PolarHBondContact O-N 3.43Å; I80-F83 PolarHBondContact O-N 2.97Å; I80-A84 WeakPolarHBondContact O-CB 3.42Å; I80-A84 PolarHBondContact O-N 3.1Å |
| 81 | G | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.1 | -50.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S33 L77 M78 G79 F83 A84 N85 | S33-G81 VanDerWaalsContact CB-O 3.23Å; S33-G81 WeakPolarHBondContact CB-O 3.27Å; S33-G81 PolarHBondContact OG-O 2.86Å; L77-G81 PolarHBondContact O-N 3.46Å; M78-G81 PolarHBondContact O-N 2.84Å; G79-G81 VanDerWaalsContact C-N 3.34Å; G81-F83 VanDerWaalsContact C-N 3.32Å; G81-F83 PolarHBondContact O-N 3.44Å; G81-A84 PolarHBondContact O-N 3.16Å; G81-N85 PolarHBondContact O-N 3.45Å |
| 82 | E | 92.7 | Very high | 93.7 | Very high | 90 Ų | 90 | 57 Ų | 57 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.2 | -40.4 | 176.9 | -71.1 | -64.3 | 165.8 | 0 | 0 | 112.5 | I37 M78 G79 N85 F86 | I37-E82 HydrophobicContact CD1-CG 4.36Å; M78-E82 WeakPolarHBondContact O-CG 3.45Å; M78-E82 PolarHBondContact O-N 3.33Å; G79-E82 PolarHBondContact O-N 3.25Å; E82-N85 WeakPolarHBondContact O-CB 3.44Å; E82-N85 PolarHBondContact O-N 3.38Å; E82-F86 PolarHBondContact O-N 2.82Å |
| 83 | F | 91.8 | Very high | 92.9 | Very high | 142 Ų | 142 | 54 Ų | 54 | 62% | 0.623 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 175 | -176.8 | -102.4 | 0 | 0 | 0 | 111.9 | G79 I80 G81 N85 F86 V87 | G79-F83 WeakPolarHBondContact O-CB 3.29Å; G79-F83 PolarHBondContact O-N 2.88Å; I80-F83 PolarHBondContact O-N 2.97Å; G81-F83 VanDerWaalsContact C-N 3.32Å; G81-F83 PolarHBondContact O-N 3.44Å; F83-N85 VanDerWaalsContact C-N 3.27Å; F83-N85 PolarHBondContact O-N 3.11Å; F83-F86 WeakPolarHBondContact O-CB 3.26Å; F83-F86 PolarHBondContact O-N 2.86Å; F83-V87 HydrophobicContact CD1-CG2 4.27Å; F83-V87 HydrophobicContact CE1-CG2 3.87Å; F83-V87 HydrophobicContact CE2-CG2 4.47Å; F83-V87 HydrophobicContact CZ-CG2 3.98Å; F83-V87 WeakPolarHBondContact O-CG2 3.36Å; F83-V87 PolarHBondContact O-N 3.47Å |
| 84 | A | 94.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I80 G81 V87 A88 | I80-A84 WeakPolarHBondContact O-CB 3.42Å; I80-A84 PolarHBondContact O-N 3.1Å; G81-A84 PolarHBondContact O-N 3.16Å; A84-V87 PolarHBondContact O-N 3.29Å; A84-A88 WeakPolarHBondContact O-CB 3.4Å; A84-A88 PolarHBondContact O-N 3.22Å |
| 85 | N | 92.9 | Very high | 91.3 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 174.1 | -158.8 | 34.7 | 0 | 0 | 0 | 111.5 | S33 G81 E82 F83 V87 A88 Y89 V97 | S33-N85 WeakPolarHBondContact OG-CB 3.33Å; G81-N85 PolarHBondContact O-N 3.45Å; E82-N85 WeakPolarHBondContact O-CB 3.44Å; E82-N85 PolarHBondContact O-N 3.38Å; F83-N85 VanDerWaalsContact C-N 3.27Å; F83-N85 PolarHBondContact O-N 3.11Å; N85-V87 VanDerWaalsContact C-N 3.35Å; N85-V87 PolarHBondContact O-N 3.38Å; N85-A88 WeakPolarHBondContact O-CB 3.42Å; N85-A88 PolarHBondContact O-N 3.47Å; N85-A88 VanDerWaalsContact O-N 3.15Å; N85-Y89 WeakPolarHBondContact O-CD2 3.48Å; N85-Y89 PolarHBondContact O-N 3.13Å; N85-V97 WeakPolarHBondContact OD1-CG1 3.43Å |
| 86 | F | 88.6 | Confident | 90.6 | Very high | 130 Ų | 130 | 58 Ų | 58 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59 | -45.6 | 176.7 | -178.9 | -99.2 | 0 | 0 | 0 | 111.8 | E82 F83 A88 Y89 | E82-F86 PolarHBondContact O-N 2.82Å; F83-F86 WeakPolarHBondContact O-CB 3.26Å; F83-F86 PolarHBondContact O-N 2.86Å; F86-A88 VanDerWaalsContact C-N 3.32Å; F86-A88 PolarHBondContact O-N 3.14Å; F86-Y89 PolarHBondContact O-N 2.95Å |
| 87 | V | 91.2 | Very high | 90.1 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 22% | 0.218 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 176.1 | 179.5 | 0 | 0 | 0 | 0 | 111 | L29 F83 A84 N85 Y89 T90 F91 | L29-V87 HydrophobicContact CD1-CB 4.37Å; L29-V87 HydrophobicContact CD1-CG1 3.75Å; F83-V87 HydrophobicContact CD1-CG2 4.27Å; F83-V87 HydrophobicContact CE1-CG2 3.87Å; F83-V87 HydrophobicContact CE2-CG2 4.47Å; F83-V87 HydrophobicContact CZ-CG2 3.98Å; F83-V87 WeakPolarHBondContact O-CG2 3.36Å; F83-V87 PolarHBondContact O-N 3.47Å; A84-V87 PolarHBondContact O-N 3.29Å; N85-V87 VanDerWaalsContact C-N 3.35Å; N85-V87 PolarHBondContact O-N 3.38Å; V87-Y89 VanDerWaalsContact C-N 3.28Å; V87-Y89 PolarHBondContact O-N 2.99Å; V87-T90 WeakPolarHBondContact O-CB 3.35Å; V87-T90 PolarHBondContact O-N 2.95Å; V87-T90 PolarHBondContact O-OG1 3.17Å; V87-F91 HydrophobicContact CG1-CD2 3.96Å; V87-F91 HydrophobicContact CG1-CE2 3.66Å; V87-F91 WeakPolarHBondContact O-CD2 3.46Å |
| 88 | A | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.9 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L29 A30 A84 N85 F86 T90 F91 A92 V97 | L29-A88 HydrophobicContact CB-CB 3.9Å; A30-A88 HydrophobicContact CB-CB 4.13Å; A84-A88 WeakPolarHBondContact O-CB 3.4Å; A84-A88 PolarHBondContact O-N 3.22Å; N85-A88 WeakPolarHBondContact O-CB 3.42Å; N85-A88 PolarHBondContact O-N 3.47Å; N85-A88 VanDerWaalsContact O-N 3.15Å; F86-A88 VanDerWaalsContact C-N 3.32Å; F86-A88 PolarHBondContact O-N 3.14Å; A88-T90 PolarHBondContact O-N 3.36Å; A88-F91 PolarHBondContact O-N 2.97Å; A88-A92 PolarHBondContact O-N 3.28Å; A88-V97 HydrophobicContact CB-CG1 4.12Å; A88-V97 HydrophobicContact CB-CG2 4.2Å |
| 89 | Y | 86.7 | Confident | 88.7 | Confident | 86 Ų | 86 | 53.5 Ų | 53.5 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62 | -23.5 | 175.4 | -75.1 | -69.8 | 0 | 0 | 0 | 113.7 | N85 F86 V87 F91 A94 V97 T98 | N85-Y89 WeakPolarHBondContact O-CD2 3.48Å; N85-Y89 PolarHBondContact O-N 3.13Å; F86-Y89 PolarHBondContact O-N 2.95Å; V87-Y89 VanDerWaalsContact C-N 3.28Å; V87-Y89 PolarHBondContact O-N 2.99Å; Y89-F91 VanDerWaalsContact C-N 3.34Å; Y89-A94 HydrophobicContact CD1-CB 3.94Å; Y89-A94 HydrophobicContact CE1-CB 3.73Å; Y89-V97 HydrophobicContact CD1-CB 3.97Å; Y89-V97 HydrophobicContact CD1-CG1 4.08Å; Y89-V97 HydrophobicContact CD1-CG2 4.31Å; Y89-V97 HydrophobicContact CD2-CG1 4.14Å; Y89-V97 HydrophobicContact CE1-CB 3.67Å; Y89-V97 HydrophobicContact CE1-CG1 3.76Å; Y89-V97 HydrophobicContact CE1-CG2 4.5Å; Y89-V97 HydrophobicContact CE2-CG1 3.83Å; Y89-V97 HydrophobicContact CG-CG1 4.25Å; Y89-T98 PolarHBondContact OH-OG1 3.2Å |
| 90 | T | 88.5 | Confident | 88.2 | Confident | 80 Ų | 80 | 52.7 Ų | 52.7 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.7 | -30.4 | 174.9 | 74.6 | 0 | 0 | 0 | 0 | 111.5 | K18 V87 A88 | K18-T90 WeakPolarHBondContact CE-O 3.41Å; K18-T90 PolarHBondContact NZ-O 3.46Å; V87-T90 WeakPolarHBondContact O-CB 3.35Å; V87-T90 PolarHBondContact O-N 2.95Å; V87-T90 PolarHBondContact O-OG1 3.17Å; A88-T90 PolarHBondContact O-N 3.36Å |
| 91 | F | 89.3 | Confident | 87.6 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 29% | 0.285 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -101.5 | -32.6 | -174.1 | -70.3 | -67.7 | 0 | 0 | 0 | 114.2 | K18 N22 I25 L29 V87 A88 Y89 | K18-F91 WeakPolarHBondContact CD-O 3.4Å; K18-F91 WeakPolarHBondContact CE-O 3.24Å; K18-F91 PolarHBondContact NZ-O 3.05Å; N22-F91 HydrophobicContact CB-CD1 4.22Å; N22-F91 WeakPolarHBondContact O-CB 3.33Å; I25-F91 HydrophobicContact CG2-CB 4.47Å; I25-F91 HydrophobicContact CG2-CD1 4.3Å; I25-F91 HydrophobicContact CG2-CD2 3.96Å; I25-F91 HydrophobicContact CG2-CE2 4.25Å; I25-F91 HydrophobicContact CG2-CG 3.99Å; L29-F91 HydrophobicContact CD1-CD2 3.99Å; L29-F91 HydrophobicContact CD1-CE2 4.38Å; V87-F91 HydrophobicContact CG1-CD2 3.96Å; V87-F91 HydrophobicContact CG1-CE2 3.66Å; V87-F91 WeakPolarHBondContact O-CD2 3.46Å; A88-F91 PolarHBondContact O-N 2.97Å; Y89-F91 VanDerWaalsContact C-N 3.34Å |
| 92 | A | 88.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -119.7 | 153.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A88 L96 V97 | A88-A92 PolarHBondContact O-N 3.28Å; A92-L96 HydrophobicContact CB-CD2 3.93Å; A92-V97 HydrophobicContact CB-CG2 3.65Å |
| 93 | P | 81.9 | Confident | 87 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 37% | 0.37 | 26% | 0.256 | S | S | . | . | trans | -69.5 | 148.1 | 177.7 | 30.4 | -35.3 | 0 | 0 | 0 | 111.1 | I95 L96 V97 | P93-I95 HydrophobicContact CB-CG2 4.09Å; P93-I95 HydrophobicContact CG-CG2 4.1Å; P93-I95 PolarHBondContact O-N 3.09Å; P93-I95 VanDerWaalsContact O-N 3.16Å; P93-L96 HydrophobicContact CG-CB 4.16Å; P93-L96 WeakPolarHBondContact O-CB 3.23Å; P93-L96 PolarHBondContact O-N 2.62Å; P93-V97 PolarHBondContact O-N 2.87Å | ||
| 94 | A | 81.9 | Confident | 87.1 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 46% | 0.463 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.2 | -32.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y89 L96 V97 T98 | Y89-A94 HydrophobicContact CD1-CB 3.94Å; Y89-A94 HydrophobicContact CE1-CB 3.73Å; A94-L96 PolarHBondContact O-N 2.95Å; A94-L96 VanDerWaalsContact O-N 3.15Å; A94-V97 PolarHBondContact O-N 3.15Å; A94-T98 PolarHBondContact O-N 3.11Å; A94-T98 PolarHBondContact O-OG1 3.02Å |
| 95 | I | 78.9 | Confident | 87 | Confident | 118 Ų | 118 | 41.7 Ų | 41.7 | 61% | 0.605 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -59.3 | -24.6 | 176.1 | -157 | 173 | 0 | 0 | 0 | 113.3 | P93 P99 L140 | P93-I95 HydrophobicContact CB-CG2 4.09Å; P93-I95 HydrophobicContact CG-CG2 4.1Å; P93-I95 PolarHBondContact O-N 3.09Å; P93-I95 VanDerWaalsContact O-N 3.16Å; I95-P99 VanDerWaalsContact O-CD 3.29Å; I95-P99 WeakPolarHBondContact O-CD 3.42Å; I95-P99 VanDerWaalsContact O-CG 3.26Å; I95-P99 WeakPolarHBondContact O-CG 3.32Å; I95-L140 HydrophobicContact CB-CD2 4.47Å; I95-L140 HydrophobicContact CD1-CD2 4.17Å; I95-L140 HydrophobicContact CG1-CD2 3.33Å |
| 96 | L | 83.2 | Confident | 86.8 | Confident | 46 Ų | 46 | 43.8 Ų | 43.8 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -91.5 | -47.6 | 175.2 | -175 | 85.1 | 0 | 0 | 0 | 111.2 | F23 L27 A92 P93 A94 P99 L100 | F23-L96 HydrophobicContact CE2-CD2 3.75Å; F23-L96 HydrophobicContact CZ-CD1 4.22Å; F23-L96 HydrophobicContact CZ-CD2 3.79Å; L27-L96 HydrophobicContact CB-CD2 4.33Å; L27-L96 HydrophobicContact CD1-CD2 4.18Å; A92-L96 HydrophobicContact CB-CD2 3.93Å; P93-L96 HydrophobicContact CG-CB 4.16Å; P93-L96 WeakPolarHBondContact O-CB 3.23Å; P93-L96 PolarHBondContact O-N 2.62Å; A94-L96 PolarHBondContact O-N 2.95Å; A94-L96 VanDerWaalsContact O-N 3.15Å; L96-P99 WeakPolarHBondContact O-CD 3.19Å; L96-L100 HydrophobicContact CG-CD1 4.18Å; L96-L100 WeakPolarHBondContact O-CG 3.21Å |
| 97 | V | 86.5 | Confident | 87 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.1 | -41.6 | -170.6 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | A30 N85 A88 Y89 A92 P93 A94 L100 G101 | A30-V97 HydrophobicContact CB-CG1 4.26Å; N85-V97 WeakPolarHBondContact OD1-CG1 3.43Å; A88-V97 HydrophobicContact CB-CG1 4.12Å; A88-V97 HydrophobicContact CB-CG2 4.2Å; Y89-V97 HydrophobicContact CD1-CB 3.97Å; Y89-V97 HydrophobicContact CD1-CG1 4.08Å; Y89-V97 HydrophobicContact CD1-CG2 4.31Å; Y89-V97 HydrophobicContact CD2-CG1 4.14Å; Y89-V97 HydrophobicContact CE1-CB 3.67Å; Y89-V97 HydrophobicContact CE1-CG1 3.76Å; Y89-V97 HydrophobicContact CE1-CG2 4.5Å; Y89-V97 HydrophobicContact CE2-CG1 3.83Å; Y89-V97 HydrophobicContact CG-CG1 4.25Å; A92-V97 HydrophobicContact CB-CG2 3.65Å; P93-V97 PolarHBondContact O-N 2.87Å; A94-V97 PolarHBondContact O-N 3.15Å; V97-L100 WeakPolarHBondContact O-CB 3.41Å; V97-L100 PolarHBondContact O-N 3.09Å; V97-G101 PolarHBondContact O-N 2.84Å |
| 98 | T | 83.8 | Confident | 87.1 | Confident | 30 Ų | 30 | 37.2 Ų | 37.2 | 18% | 0.184 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.8 | -43 | -173.6 | -43.6 | 0 | 0 | 0 | 0 | 113.8 | Y89 A94 L100 G101 A102 V139 | Y89-T98 PolarHBondContact OH-OG1 3.2Å; A94-T98 PolarHBondContact O-N 3.11Å; A94-T98 PolarHBondContact O-OG1 3.02Å; T98-L100 VanDerWaalsContact C-N 3.25Å; T98-L100 PolarHBondContact O-N 3.31Å; T98-G101 WeakPolarHBondContact O-CA 3.19Å; T98-G101 PolarHBondContact O-N 3.46Å; T98-A102 PolarHBondContact O-N 2.92Å; T98-V139 HydrophobicContact CG2-CB 4.23Å; T98-V139 HydrophobicContact CG2-CG1 3.29Å; T98-V139 HydrophobicContact CG2-CG2 3.97Å |
| 99 | P | 81 | Confident | 86.9 | Confident | 33 Ų | 33 | 37.5 Ų | 37.5 | 21% | 0.214 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59 | -34.3 | 171.1 | -23.3 | 31.4 | 0 | 0 | 0 | 113.6 | I95 L96 G101 A102 T136 L140 | I95-P99 VanDerWaalsContact O-CD 3.29Å; I95-P99 WeakPolarHBondContact O-CD 3.42Å; I95-P99 VanDerWaalsContact O-CG 3.26Å; I95-P99 WeakPolarHBondContact O-CG 3.32Å; L96-P99 WeakPolarHBondContact O-CD 3.19Å; P99-G101 VanDerWaalsContact C-N 3.3Å; P99-G101 PolarHBondContact O-N 2.92Å; P99-A102 VanDerWaalsContact O-CB 3.24Å; P99-A102 WeakPolarHBondContact O-CB 3.33Å; P99-A102 PolarHBondContact O-N 3.22Å; P99-A102 VanDerWaalsContact O-N 3.16Å; P99-T136 HydrophobicContact CB-CG2 3.74Å; P99-T136 HydrophobicContact CG-CG2 3.81Å; P99-L140 HydrophobicContact CG-CD2 4.23Å |
| 100 | L | 84.7 | Confident | 87 | Confident | 24 Ų | 24 | 38.8 Ų | 38.8 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.6 | -31.7 | 175.2 | -66.3 | 172.2 | 0 | 0 | 0 | 111.8 | L27 A30 L31 T34 L96 V97 T98 A102 L103 | L27-L100 HydrophobicContact CD1-CD1 3.59Å; A30-L100 HydrophobicContact CB-CB 4.23Å; A30-L100 HydrophobicContact CB-CD1 3.62Å; L31-L100 HydrophobicContact CD2-CD2 3.91Å; T34-L100 WeakPolarHBondContact CG2-O 3.33Å; T34-L100 PolarHBondContact OG1-O 3.36Å; L96-L100 HydrophobicContact CG-CD1 4.18Å; L96-L100 WeakPolarHBondContact O-CG 3.21Å; V97-L100 WeakPolarHBondContact O-CB 3.41Å; V97-L100 PolarHBondContact O-N 3.09Å; T98-L100 VanDerWaalsContact C-N 3.25Å; T98-L100 PolarHBondContact O-N 3.31Å; L100-A102 VanDerWaalsContact C-N 3.27Å; L100-A102 PolarHBondContact O-N 3.4Å; L100-L103 HydrophobicContact CD2-CD1 3.57Å; L100-L103 VanDerWaalsContact O-CB 3.31Å; L100-L103 WeakPolarHBondContact O-CB 3.21Å; L100-L103 PolarHBondContact O-N 3.49Å; L100-L103 VanDerWaalsContact O-N 3.13Å |
| 101 | G | 84.6 | Confident | 87.3 | Confident | 12 Ų | 12 | 36.9 Ų | 36.9 | 12% | 0.124 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.6 | -40.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V97 T98 P99 L103 S104 | V97-G101 PolarHBondContact O-N 2.84Å; T98-G101 WeakPolarHBondContact O-CA 3.19Å; T98-G101 PolarHBondContact O-N 3.46Å; P99-G101 VanDerWaalsContact C-N 3.3Å; P99-G101 PolarHBondContact O-N 2.92Å; G101-L103 PolarHBondContact O-N 3.08Å; G101-S104 VanDerWaalsContact O-CB 3.26Å; G101-S104 WeakPolarHBondContact O-CB 3.4Å; G101-S104 PolarHBondContact O-N 3.38Å; G101-S104 PolarHBondContact O-OG 2.91Å |
| 102 | A | 87.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.9 | -29.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T98 P99 L100 S104 V105 I132 Y267 | T98-A102 PolarHBondContact O-N 2.92Å; P99-A102 VanDerWaalsContact O-CB 3.24Å; P99-A102 WeakPolarHBondContact O-CB 3.33Å; P99-A102 PolarHBondContact O-N 3.22Å; P99-A102 VanDerWaalsContact O-N 3.16Å; L100-A102 VanDerWaalsContact C-N 3.27Å; L100-A102 PolarHBondContact O-N 3.4Å; A102-S104 PolarHBondContact O-N 3.41Å; A102-S104 VanDerWaalsContact O-N 3.15Å; A102-V105 VanDerWaalsContact O-CB 3.3Å; A102-V105 WeakPolarHBondContact O-CB 3.49Å; A102-V105 WeakPolarHBondContact O-CG2 3.12Å; A102-V105 PolarHBondContact O-N 2.92Å; A102-I132 HydrophobicContact CB-CG2 3.78Å; A102-Y267 VanDerWaalsContact CA-CZ 3.48Å; A102-Y267 WeakPolarHBondContact CA-OH 3.41Å; A102-Y267 HydrophobicContact CB-CE1 3.62Å; A102-Y267 HydrophobicContact CB-CE2 4.32Å; A102-Y267 VanDerWaalsContact CB-CZ 3.47Å; A102-Y267 WeakPolarHBondContact CB-OH 3.28Å |
| 103 | L | 89.3 | Confident | 87.6 | Confident | 64 Ų | 64 | 36.9 Ų | 36.9 | 34% | 0.335 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.3 | -18.8 | 176.1 | -62.6 | 176.8 | 0 | 0 | 0 | 112.5 | T34 L100 G101 V105 L106 V107 | T34-L103 HydrophobicContact CG2-CB 3.49Å; T34-L103 VanDerWaalsContact CG2-CB 3.49Å; L100-L103 HydrophobicContact CD2-CD1 3.57Å; L100-L103 VanDerWaalsContact O-CB 3.31Å; L100-L103 WeakPolarHBondContact O-CB 3.21Å; L100-L103 PolarHBondContact O-N 3.49Å; L100-L103 VanDerWaalsContact O-N 3.13Å; G101-L103 PolarHBondContact O-N 3.08Å; L103-V105 PolarHBondContact O-N 3.37Å; L103-L106 WeakPolarHBondContact O-CB 3.49Å; L103-L106 PolarHBondContact O-N 2.98Å; L103-V107 WeakPolarHBondContact O-CG2 3.18Å; L103-V107 PolarHBondContact O-N 3.24Å |
| 104 | S | 93 | Very high | 88 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 7% | 0.07 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -30.9 | 178.9 | 67.1 | 0 | 0 | 0 | 0 | 110.8 | T34 G38 G101 A102 V107 S108 | T34-S104 WeakPolarHBondContact O-CB 3.48Å; G38-S104 WeakPolarHBondContact CA-O 3.13Å; G101-S104 VanDerWaalsContact O-CB 3.26Å; G101-S104 WeakPolarHBondContact O-CB 3.4Å; G101-S104 PolarHBondContact O-N 3.38Å; G101-S104 PolarHBondContact O-OG 2.91Å; A102-S104 PolarHBondContact O-N 3.41Å; A102-S104 VanDerWaalsContact O-N 3.15Å; S104-V107 PolarHBondContact O-N 2.92Å; S104-S108 WeakPolarHBondContact O-CB 3.45Å; S104-S108 PolarHBondContact O-N 2.86Å; S104-S108 PolarHBondContact O-OG 3.17Å |
| 105 | V | 92 | Very high | 88.6 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -48.2 | 171.5 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | A102 L103 V107 S108 A109 I132 P264 Y267 | A102-V105 VanDerWaalsContact O-CB 3.3Å; A102-V105 WeakPolarHBondContact O-CB 3.49Å; A102-V105 WeakPolarHBondContact O-CG2 3.12Å; A102-V105 PolarHBondContact O-N 2.92Å; L103-V105 PolarHBondContact O-N 3.37Å; V105-V107 PolarHBondContact O-N 3.15Å; V105-S108 PolarHBondContact O-N 3.25Å; V105-S108 PolarHBondContact O-OG 3.2Å; V105-A109 WeakPolarHBondContact O-CB 3.43Å; V105-A109 PolarHBondContact O-N 2.97Å; V105-I132 HydrophobicContact CB-CD1 4.05Å; V105-I132 HydrophobicContact CB-CG1 4.41Å; V105-I132 HydrophobicContact CG1-CD1 4.14Å; V105-I132 HydrophobicContact CG1-CG1 4.48Å; V105-P264 HydrophobicContact CG1-CB 3.92Å; V105-P264 HydrophobicContact CG1-CG 3.63Å; V105-Y267 VanDerWaalsContact CG2-CB 3.47Å; V105-Y267 HydrophobicContact CG2-CD1 4.03Å; V105-Y267 HydrophobicContact CG2-CD2 3.89Å; V105-Y267 HydrophobicContact CG2-CG 3.52Å |
| 106 | L | 88.6 | Confident | 89.2 | Confident | 66 Ų | 66 | 40.1 Ų | 40.1 | 35% | 0.346 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 178.1 | -175 | 65.5 | 0 | 0 | 0 | 111.5 | L103 S108 A109 L110 I132 | L103-L106 WeakPolarHBondContact O-CB 3.49Å; L103-L106 PolarHBondContact O-N 2.98Å; L106-S108 VanDerWaalsContact C-N 3.34Å; L106-S108 PolarHBondContact O-N 2.87Å; L106-A109 PolarHBondContact O-N 3.29Å; L106-L110 HydrophobicContact CD1-CD1 4.46Å; L106-L110 HydrophobicContact CD1-CG 4.38Å; L106-L110 HydrophobicContact CG-CD1 4.07Å; L106-L110 HydrophobicContact CG-CG 4.4Å; L106-L110 WeakPolarHBondContact O-CG 3.22Å; L106-L110 PolarHBondContact O-N 3.01Å; L106-I132 HydrophobicContact CB-CD1 4.39Å |
| 107 | V | 92.6 | Very high | 89.4 | Confident | 28 Ų | 28 | 44 Ų | 44 | 17% | 0.17 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.4 | -48.1 | 174.8 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | T34 L35 L103 S104 V105 A109 L110 L111 | T34-V107 HydrophobicContact CG2-CG2 4.11Å; L35-V107 HydrophobicContact CD2-CG1 4.23Å; L35-V107 HydrophobicContact CD2-CG2 4.17Å; L103-V107 WeakPolarHBondContact O-CG2 3.18Å; L103-V107 PolarHBondContact O-N 3.24Å; S104-V107 PolarHBondContact O-N 2.92Å; V105-V107 PolarHBondContact O-N 3.15Å; V107-A109 VanDerWaalsContact C-N 3.32Å; V107-A109 PolarHBondContact O-N 2.78Å; V107-L110 PolarHBondContact O-N 3.03Å; V107-L111 HydrophobicContact CG1-CD1 3.65Å; V107-L111 HydrophobicContact CG1-CG 4.22Å; V107-L111 WeakPolarHBondContact O-CB 3.27Å; V107-L111 VanDerWaalsContact O-CG 3.23Å; V107-L111 WeakPolarHBondContact O-CG 3.36Å; V107-L111 PolarHBondContact O-N 3.34Å |
| 108 | S | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -37.1 | 178 | 73.7 | 0 | 0 | 0 | 0 | 113 | G38 I42 S104 V105 L106 S112 T263 | G38-S108 WeakPolarHBondContact O-CB 3.44Å; I42-S108 WeakPolarHBondContact CD1-O 2.97Å; S104-S108 WeakPolarHBondContact O-CB 3.45Å; S104-S108 PolarHBondContact O-N 2.86Å; S104-S108 PolarHBondContact O-OG 3.17Å; V105-S108 PolarHBondContact O-N 3.25Å; V105-S108 PolarHBondContact O-OG 3.2Å; L106-S108 VanDerWaalsContact C-N 3.34Å; L106-S108 PolarHBondContact O-N 2.87Å; S108-S112 VanDerWaalsContact O-CB 3.3Å; S108-S112 WeakPolarHBondContact O-CB 3.31Å; S108-S112 PolarHBondContact O-N 3.19Å; S108-S112 PolarHBondContact O-OG 3.31Å; S108-T263 VanDerWaalsContact OG-CB 3.25Å; S108-T263 WeakPolarHBondContact OG-CB 3.34Å; S108-T263 WeakPolarHBondContact OG-CG2 3.19Å; S108-T263 PolarHBondContact OG-OG1 3.29Å |
| 109 | A | 89.2 | Confident | 89.5 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V105 L106 V107 S112 V113 L120 | V105-A109 WeakPolarHBondContact O-CB 3.43Å; V105-A109 PolarHBondContact O-N 2.97Å; L106-A109 PolarHBondContact O-N 3.29Å; V107-A109 VanDerWaalsContact C-N 3.32Å; V107-A109 PolarHBondContact O-N 2.78Å; A109-S112 PolarHBondContact O-N 3.23Å; A109-S112 PolarHBondContact O-OG 3.29Å; A109-V113 WeakPolarHBondContact O-CG2 3.35Å; A109-V113 PolarHBondContact O-N 3.09Å; A109-L120 HydrophobicContact CB-CD1 3.88Å |
| 110 | L | 89.9 | Confident | 89.1 | Confident | 113 Ų | 113 | 51.9 Ų | 51.9 | 59% | 0.592 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -67.9 | -44.5 | 176.8 | -69.4 | 173.7 | 0 | 0 | 0 | 111.6 | L106 V107 S112 V113 R114 | L106-L110 HydrophobicContact CD1-CD1 4.46Å; L106-L110 HydrophobicContact CD1-CG 4.38Å; L106-L110 HydrophobicContact CG-CD1 4.07Å; L106-L110 HydrophobicContact CG-CG 4.4Å; L106-L110 WeakPolarHBondContact O-CG 3.22Å; L106-L110 PolarHBondContact O-N 3.01Å; V107-L110 PolarHBondContact O-N 3.03Å; L110-S112 VanDerWaalsContact C-N 3.29Å; L110-S112 PolarHBondContact O-N 2.81Å; L110-V113 PolarHBondContact O-N 2.85Å; L110-R114 PolarHBondContact O-N 3.27Å |
| 111 | L | 93.6 | Very high | 88.7 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.9 | -29.8 | 178.4 | -66.1 | 175.3 | 0 | 0 | 0 | 111.9 | T39 I42 V107 R114 F115 | T39-L111 HydrophobicContact CG2-CD1 4.43Å; T39-L111 WeakPolarHBondContact OG1-CD1 3.49Å; I42-L111 HydrophobicContact CD1-CB 3.65Å; I42-L111 HydrophobicContact CG1-CB 3.59Å; I42-L111 HydrophobicContact CG1-CD1 4.1Å; V107-L111 HydrophobicContact CG1-CD1 3.65Å; V107-L111 HydrophobicContact CG1-CG 4.22Å; V107-L111 WeakPolarHBondContact O-CB 3.27Å; V107-L111 VanDerWaalsContact O-CG 3.23Å; V107-L111 WeakPolarHBondContact O-CG 3.36Å; V107-L111 PolarHBondContact O-N 3.34Å; L111-R114 PolarHBondContact O-N 2.98Å; L111-F115 HydrophobicContact CB-CD2 4.19Å; L111-F115 HydrophobicContact CD2-CD2 3.86Å; L111-F115 HydrophobicContact CD2-CE2 3.58Å; L111-F115 WeakPolarHBondContact O-CB 3.48Å; L111-F115 PolarHBondContact O-N 3.11Å |
| 112 | S | 93.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.8 | -36.8 | 177.1 | 72.9 | 0 | 0 | 0 | 0 | 112.6 | S108 A109 L110 R114 L116 N117 E118 | S108-S112 VanDerWaalsContact O-CB 3.3Å; S108-S112 WeakPolarHBondContact O-CB 3.31Å; S108-S112 PolarHBondContact O-N 3.19Å; S108-S112 PolarHBondContact O-OG 3.31Å; A109-S112 PolarHBondContact O-N 3.23Å; A109-S112 PolarHBondContact O-OG 3.29Å; L110-S112 VanDerWaalsContact C-N 3.29Å; L110-S112 PolarHBondContact O-N 2.81Å; S112-R114 VanDerWaalsContact C-N 3.3Å; S112-R114 PolarHBondContact O-N 3.31Å; S112-L116 CarbonylContact O-C 3.6Å; S112-L116 WeakPolarHBondContact O-CA 3.43Å; S112-L116 VanDerWaalsContact O-CB 3.24Å; S112-L116 WeakPolarHBondContact O-CB 3.06Å; S112-L116 PolarHBondContact O-N 3.15Å; S112-N117 PolarHBondContact O-N 2.96Å; S112-E118 PolarHBondContact O-N 3.08Å |
| 113 | V | 90.1 | Very high | 88.3 | Confident | 67 Ų | 67 | 56.8 Ų | 56.8 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 170.8 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | A109 L110 N117 E118 L120 | A109-V113 WeakPolarHBondContact O-CG2 3.35Å; A109-V113 PolarHBondContact O-N 3.09Å; L110-V113 PolarHBondContact O-N 2.85Å; V113-N117 WeakPolarHBondContact O-CA 3.49Å; V113-E118 WeakPolarHBondContact CA-O 3.22Å; V113-E118 WeakPolarHBondContact CG2-O 3.44Å; V113-L120 HydrophobicContact CG2-CB 4.39Å; V113-L120 HydrophobicContact CG2-CD1 4.1Å |
| 114 | R | 91.5 | Very high | 87.9 | Confident | 175 Ų | 175 | 54 Ų | 54 | 66% | 0.66 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -78.2 | -43.6 | -173.4 | -176.7 | 61.7 | -174.9 | 98.4 | -5.4 | 115 | L110 L111 S112 | L110-R114 PolarHBondContact O-N 3.27Å; L111-R114 PolarHBondContact O-N 2.98Å; S112-R114 VanDerWaalsContact C-N 3.3Å; S112-R114 PolarHBondContact O-N 3.31Å |
| 115 | F | 93.3 | Very high | 87.5 | Confident | 121 Ų | 121 | 55 Ų | 55 | 53% | 0.531 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -102.5 | -26.6 | -170.6 | -73.3 | -82.3 | 0 | 0 | 0 | 113.2 | I42 L111 | I42-F115 HydrophobicContact CG2-CB 3.79Å; I42-F115 HydrophobicContact CG2-CG 4.4Å; L111-F115 HydrophobicContact CB-CD2 4.19Å; L111-F115 HydrophobicContact CD2-CD2 3.86Å; L111-F115 HydrophobicContact CD2-CE2 3.58Å; L111-F115 WeakPolarHBondContact O-CB 3.48Å; L111-F115 PolarHBondContact O-N 3.11Å |
| 116 | L | 91.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -103.8 | -3 | 179.2 | -71.1 | 146.1 | 0 | 0 | 0 | 112.4 | I42 K45 L46 R49 S112 E118 | I42-L116 HydrophobicContact CB-CD1 4.49Å; I42-L116 HydrophobicContact CD1-CD1 3.74Å; I42-L116 HydrophobicContact CG2-CD1 4Å; I42-L116 HydrophobicContact CG2-CG 4.42Å; K45-L116 HydrophobicContact CB-CD1 3.99Å; K45-L116 HydrophobicContact CB-CD2 3.99Å; K45-L116 HydrophobicContact CG-CD1 3.81Å; K45-L116 HydrophobicContact CG-CD2 3.38Å; K45-L116 HydrophobicContact CG-CG 4.25Å; L46-L116 HydrophobicContact CD2-CD2 3.89Å; L46-L116 HydrophobicContact CD2-CG 4.4Å; L46-L116 HydrophobicContact CG-CD2 4.1Å; R49-L116 PolarHBondContact NH1-O 3.4Å; R49-L116 PolarHBondContact NH2-O 3.06Å; S112-L116 CarbonylContact O-C 3.6Å; S112-L116 WeakPolarHBondContact O-CA 3.43Å; S112-L116 VanDerWaalsContact O-CB 3.24Å; S112-L116 WeakPolarHBondContact O-CB 3.06Å; S112-L116 PolarHBondContact O-N 3.15Å; L116-E118 HydrophobicContact CB-CG 3.89Å; L116-E118 PolarHBondContact O-N 3.18Å |
| 117 | N | 89 | Confident | 87.3 | Confident | 127 Ų | 127 | 57.5 Ų | 57.5 | 68% | 0.679 | 29% | 0.292 | S | S | * | . | trans | 48.8 | 37.6 | -173.1 | -64.1 | -37.5 | 0 | 0 | 0 | 111.6 | S112 V113 | S112-N117 PolarHBondContact O-N 2.96Å; V113-N117 WeakPolarHBondContact O-CA 3.49Å | ||
| 118 | E | 89.2 | Confident | 87.1 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | trans | -84.8 | 136.4 | 175.6 | -70.5 | -178.7 | 168.1 | 0 | 0 | 109.7 | K45 R49 S112 V113 L116 T259 | K45-E118 WeakPolarHBondContact CE-OE1 3.31Å; K45-E118 IonicContact NZ-OE1 3.4Å; R49-E118 IonicContact CZ-OE1 3.65Å; R49-E118 IonicContact NH2-OE1 3.05Å; R49-E118 PolarHBondContact NH2-OE1 3.32Å; S112-E118 PolarHBondContact O-N 3.08Å; V113-E118 WeakPolarHBondContact CA-O 3.22Å; V113-E118 WeakPolarHBondContact CG2-O 3.44Å; L116-E118 HydrophobicContact CB-CG 3.89Å; L116-E118 PolarHBondContact O-N 3.18Å; E118-T259 WeakPolarHBondContact OE2-CA 3.45Å; E118-T259 WeakPolarHBondContact OE2-CB 3.45Å; E118-T259 PolarHBondContact OE2-N 2.9Å; E118-T259 PolarHBondContact OE2-OG1 3.05Å | ||
| 119 | H | 81.3 | Confident | 87 | Confident | 168 Ų | 168 | 59.6 Ų | 59.6 | 78% | 0.778 | 31% | 0.307 | S | S | * | . | trans | -91.5 | 123.4 | 175.2 | -68.1 | -78.4 | 0 | 0 | 0 | 109.9 | ||||
| 120 | L | 73.4 | Confident | 87.1 | Confident | 46 Ų | 46 | 60 Ų | 60 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | trans | -100.3 | 109.2 | 166.4 | -97.8 | 149.9 | 0 | 0 | 0 | 107.5 | A109 V113 | A109-L120 HydrophobicContact CB-CD1 3.88Å; V113-L120 HydrophobicContact CG2-CB 4.39Å; V113-L120 HydrophobicContact CG2-CD1 4.1Å | ||
| 121 | N | 77 | Confident | 87.1 | Confident | 49 Ų | 49 | 54.7 Ų | 54.7 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | trans | -58 | 146.7 | 171.5 | -81.4 | -8.4 | 0 | 0 | 0 | 109.6 | I123 G124 G125 K314 N317 | N121-I123 PolarHBondContact O-N 3.34Å; N121-I123 VanDerWaalsContact O-N 3.11Å; N121-G124 WeakPolarHBondContact O-CA 3.06Å; N121-G124 PolarHBondContact O-N 3.28Å; N121-G125 PolarHBondContact O-N 2.94Å; N121-K314 PolarHBondContact ND2-O 2.96Å; N121-N317 PolarHBondContact ND2-OD1 2.73Å | ||
| 122 | C | 79.8 | Confident | 86.9 | Confident | 60 Ų | 60 | 54 Ų | 54 | 41% | 0.405 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.7 | -33.7 | -175.4 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | G125 F126 W320 | C122-G125 PolarHBondContact O-N 3.12Å; C122-F126 WeakPolarHBondContact O-CB 3.39Å; C122-F126 PolarHBondContact O-N 2.63Å; C122-W320 VanDerWaalsContact SG-CD1 3.57Å |
| 123 | I | 83.6 | Confident | 86.8 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 15% | 0.154 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 174.2 | -59.2 | 173.8 | 0 | 0 | 0 | 111.2 | N121 F126 G127 M309 L313 F318 | N121-I123 PolarHBondContact O-N 3.34Å; N121-I123 VanDerWaalsContact O-N 3.11Å; I123-F126 PolarHBondContact O-N 3.17Å; I123-G127 PolarHBondContact O-N 3.47Å; I123-M309 HydrophobicContact CG2-CB 4.31Å; I123-M309 HydrophobicContact CG2-CE 3.74Å; I123-L313 HydrophobicContact CG2-CB 3.52Å; I123-L313 HydrophobicContact CG2-CD1 3.87Å; I123-L313 HydrophobicContact CG2-CG 4.36Å; I123-F318 HydrophobicContact CD1-CB 3.64Å; I123-F318 HydrophobicContact CG1-CB 4.13Å |
| 124 | G | 81 | Confident | 86.9 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N121 G127 C128 | N121-G124 WeakPolarHBondContact O-CA 3.06Å; N121-G124 PolarHBondContact O-N 3.28Å; G124-G127 PolarHBondContact O-N 3.36Å; G124-C128 WeakPolarHBondContact O-CB 3.09Å; G124-C128 PolarHBondContact O-N 2.86Å |
| 125 | G | 83.5 | Confident | 86.8 | Confident | 29 Ų | 29 | 46.9 Ų | 46.9 | 30% | 0.299 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N121 C122 C128 C129 | N121-G125 PolarHBondContact O-N 2.94Å; C122-G125 PolarHBondContact O-N 3.12Å; G125-C128 WeakPolarHBondContact O-CB 3.37Å; G125-C128 PolarHBondContact O-N 3.42Å; G125-C129 PolarHBondContact O-N 3.1Å; G125-C129 VanDerWaalsContact O-N 3.13Å; G125-C129 PolarHBondContact O-SG 2.94Å |
| 126 | F | 88.2 | Confident | 86.6 | Confident | 124 Ų | 124 | 42.2 Ų | 42.2 | 54% | 0.544 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 175.2 | -175.2 | -92.1 | 0 | 0 | 0 | 111.7 | C122 I123 C128 C129 V130 M309 | C122-F126 WeakPolarHBondContact O-CB 3.39Å; C122-F126 PolarHBondContact O-N 2.63Å; I123-F126 PolarHBondContact O-N 3.17Å; F126-C128 VanDerWaalsContact C-N 3.26Å; F126-C128 PolarHBondContact O-N 2.64Å; F126-C129 WeakPolarHBondContact O-CB 3.43Å; F126-C129 PolarHBondContact O-N 3.4Å; F126-V130 HydrophobicContact CD1-CG2 3.68Å; F126-V130 HydrophobicContact CE1-CG2 3.38Å; F126-V130 HydrophobicContact CG-CG2 4.47Å; F126-V130 HydrophobicContact CZ-CG2 3.89Å; F126-V130 WeakPolarHBondContact O-CG2 3.44Å; F126-V130 PolarHBondContact O-N 3.43Å; F126-M309 HydrophobicContact CB-CE 4.5Å; F126-M309 HydrophobicContact CD1-CE 3.36Å; F126-M309 HydrophobicContact CD1-SD 3.77Å; F126-M309 HydrophobicContact CE1-CE 3.98Å; F126-M309 HydrophobicContact CE1-SD 4.08Å; F126-M309 HydrophobicContact CG-CE 4.35Å |
| 127 | G | 89.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.8 | -40.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I123 G124 V130 C131 G306 | I123-G127 PolarHBondContact O-N 3.47Å; G124-G127 PolarHBondContact O-N 3.36Å; G127-V130 PolarHBondContact O-N 3.18Å; G127-C131 WeakPolarHBondContact O-CB 3.39Å; G127-C131 PolarHBondContact O-N 3.41Å; G127-G306 WeakPolarHBondContact O-CA 3.46Å |
| 128 | C | 88.3 | Confident | 86.5 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.6 | -47 | 172.5 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | G124 G125 F126 V130 C131 I132 P264 I310 | G124-C128 WeakPolarHBondContact O-CB 3.09Å; G124-C128 PolarHBondContact O-N 2.86Å; G125-C128 WeakPolarHBondContact O-CB 3.37Å; G125-C128 PolarHBondContact O-N 3.42Å; F126-C128 VanDerWaalsContact C-N 3.26Å; F126-C128 PolarHBondContact O-N 2.64Å; C128-V130 VanDerWaalsContact C-N 3.34Å; C128-V130 PolarHBondContact O-N 3.35Å; C128-C131 WeakPolarHBondContact O-CB 3.43Å; C128-C131 PolarHBondContact O-N 3.07Å; C128-I132 WeakPolarHBondContact O-CG1 3.24Å; C128-I132 PolarHBondContact O-N 2.85Å; C128-P264 HydrophobicContact CB-CB 4.5Å; C128-P264 HydrophobicContact CB-CG 4.08Å; C128-P264 VanDerWaalsContact SG-CG 3.52Å; C128-I310 HydrophobicContact CB-CD1 4.31Å |
| 129 | C | 90.2 | Very high | 86.4 | Confident | 68 Ų | 68 | 40 Ų | 40 | 46% | 0.459 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.2 | -42.6 | 176.8 | -65.7 | 0 | 0 | 0 | 0 | 112 | G125 F126 I132 L133 | G125-C129 PolarHBondContact O-N 3.1Å; G125-C129 VanDerWaalsContact O-N 3.13Å; G125-C129 PolarHBondContact O-SG 2.94Å; F126-C129 WeakPolarHBondContact O-CB 3.43Å; F126-C129 PolarHBondContact O-N 3.4Å; C129-I132 PolarHBondContact O-N 3.18Å; C129-L133 WeakPolarHBondContact O-CB 3.4Å; C129-L133 PolarHBondContact O-N 3.42Å |
| 130 | V | 92.5 | Very high | 86.6 | Confident | 16 Ų | 16 | 35.2 Ų | 35.2 | 10% | 0.097 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.9 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | F126 G127 C128 L133 G134 F302 L305 | F126-V130 HydrophobicContact CD1-CG2 3.68Å; F126-V130 HydrophobicContact CE1-CG2 3.38Å; F126-V130 HydrophobicContact CG-CG2 4.47Å; F126-V130 HydrophobicContact CZ-CG2 3.89Å; F126-V130 WeakPolarHBondContact O-CG2 3.44Å; F126-V130 PolarHBondContact O-N 3.43Å; G127-V130 PolarHBondContact O-N 3.18Å; C128-V130 VanDerWaalsContact C-N 3.34Å; C128-V130 PolarHBondContact O-N 3.35Å; V130-L133 PolarHBondContact O-N 2.66Å; V130-G134 PolarHBondContact O-N 3.36Å; V130-F302 HydrophobicContact CG1-CB 4.34Å; V130-F302 HydrophobicContact CG1-CD1 3.8Å; V130-F302 VanDerWaalsContact CG1-O 3.25Å; V130-F302 WeakPolarHBondContact CG1-O 3.4Å; V130-L305 HydrophobicContact CG1-CB 4.31Å |
| 131 | C | 90.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 173.4 | -86.2 | 0 | 0 | 0 | 0 | 112.4 | G127 C128 L133 G134 S135 V268 G306 I307 I310 | G127-C131 WeakPolarHBondContact O-CB 3.39Å; G127-C131 PolarHBondContact O-N 3.41Å; C128-C131 WeakPolarHBondContact O-CB 3.43Å; C128-C131 PolarHBondContact O-N 3.07Å; C131-L133 VanDerWaalsContact C-N 3.35Å; C131-G134 PolarHBondContact O-N 3.29Å; C131-S135 WeakPolarHBondContact O-CB 3.32Å; C131-S135 PolarHBondContact O-N 3.46Å; C131-S135 PolarHBondContact O-OG 3.47Å; C131-V268 HydrophobicContact CB-CG2 3.79Å; C131-G306 WeakPolarHBondContact SG-CA 3.37Å; C131-I307 PolarHBondContact SG-N 2.92Å; C131-I310 HydrophobicContact CB-CD1 4.43Å |
| 132 | I | 89 | Confident | 87.7 | Confident | 24 Ų | 24 | 34.1 Ų | 34.1 | 12% | 0.123 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | 178.4 | -71.7 | 168.2 | 0 | 0 | 0 | 110.3 | A102 V105 L106 C128 C129 S135 T136 | A102-I132 HydrophobicContact CB-CG2 3.78Å; V105-I132 HydrophobicContact CB-CD1 4.05Å; V105-I132 HydrophobicContact CB-CG1 4.41Å; V105-I132 HydrophobicContact CG1-CD1 4.14Å; V105-I132 HydrophobicContact CG1-CG1 4.48Å; L106-I132 HydrophobicContact CB-CD1 4.39Å; C128-I132 WeakPolarHBondContact O-CG1 3.24Å; C128-I132 PolarHBondContact O-N 2.85Å; C129-I132 PolarHBondContact O-N 3.18Å; I132-S135 WeakPolarHBondContact CA-OG 3.49Å; I132-S135 PolarHBondContact O-OG 2.79Å; I132-T136 VanDerWaalsContact O-CB 3.26Å; I132-T136 WeakPolarHBondContact O-CB 3.33Å; I132-T136 PolarHBondContact O-N 2.95Å; I132-T136 PolarHBondContact O-OG1 3.49Å |
| 133 | L | 92.1 | Very high | 87.6 | Confident | 91 Ų | 91 | 32 Ų | 32 | 48% | 0.476 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.1 | -51.2 | 176.5 | -171.6 | 91.2 | 0 | 0 | 0 | 111 | C129 V130 C131 T136 L137 F302 | C129-L133 WeakPolarHBondContact O-CB 3.4Å; C129-L133 PolarHBondContact O-N 3.42Å; V130-L133 PolarHBondContact O-N 2.66Å; C131-L133 VanDerWaalsContact C-N 3.35Å; L133-T136 PolarHBondContact O-N 2.82Å; L133-L137 WeakPolarHBondContact O-CG 3.36Å; L133-L137 PolarHBondContact O-N 2.96Å; L133-F302 HydrophobicContact CD2-CD1 3.72Å; L133-F302 HydrophobicContact CD2-CE1 3.7Å; L133-F302 HydrophobicContact CD2-CG 4.26Å; L133-F302 HydrophobicContact CD2-CZ 4.23Å |
| 134 | G | 92 | Very high | 87.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60 | -49.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V130 C131 T136 L137 I138 G299 F302 | V130-G134 PolarHBondContact O-N 3.36Å; C131-G134 PolarHBondContact O-N 3.29Å; G134-T136 VanDerWaalsContact C-N 3.31Å; G134-T136 PolarHBondContact O-N 2.92Å; G134-L137 WeakPolarHBondContact O-CB 3.25Å; G134-L137 PolarHBondContact O-N 3.38Å; G134-L137 VanDerWaalsContact O-N 3.11Å; G134-I138 WeakPolarHBondContact O-CG1 3.31Å; G134-I138 PolarHBondContact O-N 3.26Å; G134-G299 CarbonylContact C-O 3.37Å; G134-G299 WeakPolarHBondContact CA-O 3.48Å; G134-G299 VanDerWaalsContact O-CA 3.28Å; G134-G299 WeakPolarHBondContact O-CA 3.45Å; G134-F302 VanDerWaalsContact CA-CB 3.42Å |
| 135 | S | 88.3 | Confident | 86.6 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -36.8 | 178.7 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | C131 I132 I138 V139 Y267 | C131-S135 WeakPolarHBondContact O-CB 3.32Å; C131-S135 PolarHBondContact O-N 3.46Å; C131-S135 PolarHBondContact O-OG 3.47Å; I132-S135 WeakPolarHBondContact CA-OG 3.49Å; I132-S135 PolarHBondContact O-OG 2.79Å; S135-I138 PolarHBondContact O-N 3.05Å; S135-V139 WeakPolarHBondContact O-CG2 3.2Å; S135-V139 PolarHBondContact O-N 2.82Å; S135-Y267 WeakPolarHBondContact OG-CE1 3.35Å |
| 136 | T | 88.6 | Confident | 85.9 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 172.2 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | P99 I132 L133 G134 I138 V139 L140 | P99-T136 HydrophobicContact CB-CG2 3.74Å; P99-T136 HydrophobicContact CG-CG2 3.81Å; I132-T136 VanDerWaalsContact O-CB 3.26Å; I132-T136 WeakPolarHBondContact O-CB 3.33Å; I132-T136 PolarHBondContact O-N 2.95Å; I132-T136 PolarHBondContact O-OG1 3.49Å; L133-T136 PolarHBondContact O-N 2.82Å; G134-T136 VanDerWaalsContact C-N 3.31Å; G134-T136 PolarHBondContact O-N 2.92Å; T136-I138 VanDerWaalsContact C-N 3.34Å; T136-I138 PolarHBondContact O-N 3.45Å; T136-V139 PolarHBondContact O-N 2.85Å; T136-L140 HydrophobicContact CG2-CD1 3.89Å; T136-L140 HydrophobicContact CG2-CG 4.17Å; T136-L140 WeakPolarHBondContact O-CB 3.27Å; T136-L140 WeakPolarHBondContact O-CG 3.43Å; T136-L140 PolarHBondContact O-N 3.22Å |
| 137 | L | 91 | Very high | 85 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 174.9 | -73.6 | 173.1 | 0 | 0 | 0 | 112.5 | L133 G134 L140 H141 F302 | L133-L137 WeakPolarHBondContact O-CG 3.36Å; L133-L137 PolarHBondContact O-N 2.96Å; G134-L137 WeakPolarHBondContact O-CB 3.25Å; G134-L137 PolarHBondContact O-N 3.38Å; G134-L137 VanDerWaalsContact O-N 3.11Å; L137-L140 PolarHBondContact O-N 2.91Å; L137-H141 PolarHBondContact O-N 3.49Å; L137-H141 PolarHBondContact O-ND1 3.24Å; L137-F302 HydrophobicContact CD1-CD2 4.25Å |
| 138 | I | 89.3 | Confident | 84.4 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -47.8 | 177.2 | -59.3 | 173.8 | 0 | 0 | 0 | 109.8 | G134 S135 T136 L140 H141 A142 I275 L296 G299 T303 | G134-I138 WeakPolarHBondContact O-CG1 3.31Å; G134-I138 PolarHBondContact O-N 3.26Å; S135-I138 PolarHBondContact O-N 3.05Å; T136-I138 VanDerWaalsContact C-N 3.34Å; T136-I138 PolarHBondContact O-N 3.45Å; I138-L140 PolarHBondContact O-N 3.26Å; I138-H141 CarbonylContact O-C 3.59Å; I138-H141 PolarHBondContact O-N 3.4Å; I138-A142 WeakPolarHBondContact O-CB 3.44Å; I138-A142 PolarHBondContact O-N 3.03Å; I138-I275 HydrophobicContact CB-CD1 4.26Å; I138-I275 HydrophobicContact CG2-CD1 3.46Å; I138-I275 VanDerWaalsContact CG2-CD1 3.46Å; I138-L296 HydrophobicContact CB-CD2 4.38Å; I138-L296 HydrophobicContact CG2-CD2 3.65Å; I138-L296 WeakPolarHBondContact O-CD2 3.32Å; I138-G299 VanDerWaalsContact CG1-C 3.48Å; I138-T303 HydrophobicContact CD1-CG2 3.93Å |
| 139 | V | 85.7 | Confident | 83.9 | Confident | 27 Ų | 27 | 51 Ų | 51 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 178.6 | 166.4 | 0 | 0 | 0 | 0 | 112 | T98 S135 T136 H141 A142 T271 I275 | T98-V139 HydrophobicContact CG2-CB 4.23Å; T98-V139 HydrophobicContact CG2-CG1 3.29Å; T98-V139 HydrophobicContact CG2-CG2 3.97Å; S135-V139 WeakPolarHBondContact O-CG2 3.2Å; S135-V139 PolarHBondContact O-N 2.82Å; T136-V139 PolarHBondContact O-N 2.85Å; V139-H141 PolarHBondContact O-N 3.47Å; V139-A142 WeakPolarHBondContact O-CB 3.4Å; V139-A142 PolarHBondContact O-N 2.9Å; V139-T271 HydrophobicContact CG2-CG2 3.64Å; V139-I275 HydrophobicContact CG2-CD1 3.94Å |
| 140 | L | 86.3 | Confident | 83.7 | Confident | 68 Ų | 68 | 49.3 Ų | 49.3 | 36% | 0.356 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.8 | -28.6 | -175.5 | -73.2 | 174.9 | 0 | 0 | 0 | 112.9 | I95 P99 T136 L137 I138 | I95-L140 HydrophobicContact CB-CD2 4.47Å; I95-L140 HydrophobicContact CD1-CD2 4.17Å; I95-L140 HydrophobicContact CG1-CD2 3.33Å; P99-L140 HydrophobicContact CG-CD2 4.23Å; T136-L140 HydrophobicContact CG2-CD1 3.89Å; T136-L140 HydrophobicContact CG2-CG 4.17Å; T136-L140 WeakPolarHBondContact O-CB 3.27Å; T136-L140 WeakPolarHBondContact O-CG 3.43Å; T136-L140 PolarHBondContact O-N 3.22Å; L137-L140 PolarHBondContact O-N 2.91Å; I138-L140 PolarHBondContact O-N 3.26Å |
| 141 | H | 88.5 | Confident | 83.6 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 22% | 0.218 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 8.8 | 178.9 | -59.3 | 90.5 | 0 | 0 | 0 | 112.4 | L137 I138 V139 D292 L296 | L137-H141 PolarHBondContact O-N 3.49Å; L137-H141 PolarHBondContact O-ND1 3.24Å; I138-H141 CarbonylContact O-C 3.59Å; I138-H141 PolarHBondContact O-N 3.4Å; V139-H141 PolarHBondContact O-N 3.47Å; H141-D292 HydrophobicContact CB-CB 4.19Å; H141-D292 WeakPolarHBondContact CB-O 3.35Å; H141-D292 IonicContact CD2-OD1 3.7Å; H141-L296 HydrophobicContact CB-CD2 4.43Å; H141-L296 HydrophobicContact CB-CG 4.11Å |
| 142 | A | 83.8 | Confident | 83.6 | Confident | 26 Ų | 26 | 56 Ų | 56 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -70.5 | 148.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | I138 V139 I275 | I138-A142 WeakPolarHBondContact O-CB 3.44Å; I138-A142 PolarHBondContact O-N 3.03Å; V139-A142 WeakPolarHBondContact O-CB 3.4Å; V139-A142 PolarHBondContact O-N 2.9Å; A142-I275 HydrophobicContact CB-CD1 4.39Å; A142-I275 HydrophobicContact CB-CG2 4.2Å |
| 143 | P | 79.4 | Confident | 83.6 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 10% | 0.104 | 30% | 0.297 | C | S | . | . | trans | -60.1 | 144.6 | 179.7 | 22.9 | -31 | 0 | 0 | 0 | 111.6 | E145 T279 E284 L288 | P143-E145 PolarHBondContact O-N 3.47Å; P143-T279 HydrophobicContact CG-CG2 4.14Å; P143-T279 WeakPolarHBondContact CG-OG1 3.46Å; P143-E284 HydrophobicContact CB-CB 3.61Å; P143-E284 HydrophobicContact CG-CB 4.22Å; P143-L288 HydrophobicContact CB-CD2 3.82Å; P143-L288 HydrophobicContact CB-CG 4.36Å; P143-L288 HydrophobicContact CG-CD2 4.41Å | ||
| 144 | K | 72.4 | Confident | 83.5 | Confident | 177 Ų | 177 | 53.6 Ų | 53.6 | 77% | 0.77 | 28% | 0.275 | S | S | * | . | trans | -79.5 | 106.5 | -177 | -69.3 | -177.1 | -176.9 | 173.8 | 0 | 110.4 | Q146 E284 | K144-Q146 PolarHBondContact O-N 2.92Å; K144-E284 VanDerWaalsContact O-CD 3.22Å; K144-E284 VanDerWaalsContact O-OE1 3.12Å | ||
| 145 | E | 70.4 | Confident | 83.5 | Confident | 90 Ų | 90 | 57.9 Ų | 57.9 | 42% | 0.421 | 29% | 0.292 | S | S | . | . | trans | -53.5 | 130.7 | -177.1 | -52.8 | -176.2 | 146.1 | 0 | 0 | 113.9 | P143 K209 S278 F282 E284 | P143-E145 PolarHBondContact O-N 3.47Å; E145-K209 IonicContact OE1-NZ 3.16Å; E145-K209 IonicContact OE2-NZ 2.76Å; E145-K209 PolarHBondContact OE2-NZ 3.36Å; E145-S278 VanDerWaalsContact OE1-CB 3.22Å; E145-S278 WeakPolarHBondContact OE1-CB 3.44Å; E145-S278 PolarHBondContact OE1-OG 2.89Å; E145-F282 HydrophobicContact CB-CD2 4.15Å; E145-F282 HydrophobicContact CB-CE2 4.24Å; E145-F282 HydrophobicContact CG-CD2 4.23Å; E145-F282 HydrophobicContact CG-CE2 4.31Å; E145-E284 WeakPolarHBondContact CA-OE1 3.45Å; E145-E284 WeakPolarHBondContact CA-OE2 3.34Å; E145-E284 PolarHBondContact N-OE2 3.4Å | ||
| 146 | Q | 68.1 | Low | 83.7 | Confident | 85 Ų | 85 | 60.6 Ų | 60.6 | 40% | 0.397 | 31% | 0.311 | S | S | . | . | trans | -61.7 | 140 | 170.6 | -82.1 | 169.1 | 34.6 | 0 | 0 | 112.6 | K144 L148 F282 E284 | K144-Q146 PolarHBondContact O-N 2.92Å; Q146-L148 PolarHBondContact O-N 3.22Å; Q146-L148 VanDerWaalsContact O-N 3.13Å; Q146-F282 HydrophobicContact CB-CD1 4.22Å; Q146-E284 VanDerWaalsContact CG-OE1 3.29Å; Q146-E284 WeakPolarHBondContact CG-OE1 2.96Å; Q146-E284 PolarHBondContact N-OE1 2.88Å | ||
| 147 | N | 69.8 | Low | 83.8 | Confident | 138 Ų | 138 | 62.5 Ų | 62.5 | 74% | 0.738 | 32% | 0.315 | S | S | * | . | trans | -79.7 | 91.1 | 173.8 | -75 | -53.4 | 0 | 0 | 0 | 110 | ||||
| 148 | L | 77.2 | Confident | 83.8 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | trans | -61.7 | 137.8 | 169.5 | -60 | 178.3 | 0 | 0 | 0 | 110.3 | Q146 E153 M154 R157 V213 F282 | Q146-L148 PolarHBondContact O-N 3.22Å; Q146-L148 VanDerWaalsContact O-N 3.13Å; L148-E153 HydrophobicContact CD2-CB 4.47Å; L148-E153 HydrophobicContact CD2-CG 3.81Å; L148-E153 WeakPolarHBondContact CD2-OE1 3.46Å; L148-M154 HydrophobicContact CD1-CB 3.97Å; L148-M154 HydrophobicContact CD1-CE 3.63Å; L148-M154 HydrophobicContact CD1-CG 4.29Å; L148-M154 HydrophobicContact CD1-SD 3.4Å; L148-M154 WeakPolarHBondContact CD1-SD 3.44Å; L148-R157 HydrophobicContact CD2-CG 4.29Å; L148-V213 HydrophobicContact CB-CG1 4.15Å; L148-V213 HydrophobicContact CB-CG2 4.03Å; L148-F282 HydrophobicContact CD1-CE1 3.64Å; L148-F282 HydrophobicContact CD1-CZ 4.26Å; L148-F282 HydrophobicContact CD2-CE1 4.11Å; L148-F282 HydrophobicContact CG-CE1 3.69Å | ||
| 149 | T | 77.6 | Confident | 84 | Confident | 96 Ų | 96 | 62.8 Ų | 62.8 | 59% | 0.589 | 32% | 0.323 | S | S | * | . | trans | -102.1 | -24 | -174.6 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | E153 | T149-E153 PolarHBondContact N-OE2 2.86Å; T149-E153 PolarHBondContact OG1-OE2 3.31Å; T149-E153 VanDerWaalsContact OG1-OE2 3.1Å | ||
| 150 | S | 86.7 | Confident | 84.3 | Confident | 32 Ų | 32 | 63.3 Ų | 63.3 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | trans | -141.9 | 157.5 | -175.1 | 72.8 | 0 | 0 | 0 | 0 | 113.7 | H152 E153 M154 | S150-H152 PolarHBondContact O-N 3.36Å; S150-E153 PolarHBondContact O-N 2.83Å; S150-E153 PolarHBondContact OG-N 3.4Å; S150-M154 PolarHBondContact O-N 3.24Å; S150-M154 VanDerWaalsContact O-N 3.13Å | ||
| 151 | L | 89.4 | Confident | 84.6 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.7 | -29.6 | 173.2 | -78.1 | 172.3 | 0 | 0 | 0 | 112.8 | M154 W155 G210 G214 M226 F232 L235 | L151-M154 PolarHBondContact O-N 2.91Å; L151-W155 WeakPolarHBondContact O-CB 3.33Å; L151-W155 PolarHBondContact O-N 2.81Å; L151-G210 VanDerWaalsContact CD2-O 3.3Å; L151-G210 WeakPolarHBondContact CD2-O 3.41Å; L151-G214 VanDerWaalsContact CG-CA 3.48Å; L151-M226 HydrophobicContact CD1-CG 4.17Å; L151-F232 HydrophobicContact CD1-CB 4.08Å; L151-F232 HydrophobicContact CD1-CD2 4.32Å; L151-L235 HydrophobicContact CD2-CD1 4.37Å |
| 152 | H | 89.2 | Confident | 84.8 | Confident | 147 Ų | 147 | 64.3 Ų | 64.3 | 68% | 0.681 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -68.3 | -41.5 | 177.7 | -177.9 | 66.3 | 0 | 0 | 0 | 111.3 | S150 W155 S156 | S150-H152 PolarHBondContact O-N 3.36Å; H152-W155 WeakPolarHBondContact O-CB 3.36Å; H152-W155 PolarHBondContact O-N 3.49Å; H152-S156 PolarHBondContact O-N 3.22Å |
| 153 | E | 89.3 | Confident | 85.3 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 28% | 0.276 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 173.8 | -161 | -173.8 | 172 | 0 | 0 | 110.9 | L148 T149 S150 W155 S156 R157 | L148-E153 HydrophobicContact CD2-CB 4.47Å; L148-E153 HydrophobicContact CD2-CG 3.81Å; L148-E153 WeakPolarHBondContact CD2-OE1 3.46Å; T149-E153 PolarHBondContact N-OE2 2.86Å; T149-E153 PolarHBondContact OG1-OE2 3.31Å; T149-E153 VanDerWaalsContact OG1-OE2 3.1Å; S150-E153 PolarHBondContact O-N 2.83Å; S150-E153 PolarHBondContact OG-N 3.4Å; E153-W155 VanDerWaalsContact C-N 3.33Å; E153-W155 PolarHBondContact O-N 3.41Å; E153-S156 WeakPolarHBondContact O-CB 3.25Å; E153-S156 PolarHBondContact O-N 3.05Å; E153-R157 WeakPolarHBondContact O-CG 3.4Å; E153-R157 PolarHBondContact O-N 3.45Å |
| 154 | M | 90.9 | Very high | 86.1 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.02 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 174.1 | -176.5 | 59.5 | 105.4 | 0 | 0 | 112.2 | L148 S150 L151 R157 A158 K209 G210 F231 L281 | L148-M154 HydrophobicContact CD1-CB 3.97Å; L148-M154 HydrophobicContact CD1-CE 3.63Å; L148-M154 HydrophobicContact CD1-CG 4.29Å; L148-M154 HydrophobicContact CD1-SD 3.4Å; L148-M154 WeakPolarHBondContact CD1-SD 3.44Å; S150-M154 PolarHBondContact O-N 3.24Å; S150-M154 VanDerWaalsContact O-N 3.13Å; L151-M154 PolarHBondContact O-N 2.91Å; M154-R157 PolarHBondContact O-N 2.89Å; M154-A158 VanDerWaalsContact O-CB 3.31Å; M154-A158 WeakPolarHBondContact O-CB 3.37Å; M154-A158 PolarHBondContact O-N 2.88Å; M154-K209 HydrophobicContact CE-CB 4.26Å; M154-K209 HydrophobicContact CE-CG 4.18Å; M154-G210 VanDerWaalsContact CE-N 3.34Å; M154-F231 HydrophobicContact CB-CE1 4.3Å; M154-F231 HydrophobicContact CG-CE1 4.04Å; M154-F231 HydrophobicContact CG-CZ 4.42Å; M154-L281 HydrophobicContact CE-CD2 4.39Å; M154-L281 HydrophobicContact SD-CD2 4.09Å |
| 155 | W | 92.1 | Very high | 87.2 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 35% | 0.345 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 174.8 | 170.5 | -104.5 | 0 | 0 | 0 | 111.4 | L151 H152 E153 R157 A158 T159 W230 F231 | L151-W155 WeakPolarHBondContact O-CB 3.33Å; L151-W155 PolarHBondContact O-N 2.81Å; H152-W155 WeakPolarHBondContact O-CB 3.36Å; H152-W155 PolarHBondContact O-N 3.49Å; E153-W155 VanDerWaalsContact C-N 3.33Å; E153-W155 PolarHBondContact O-N 3.41Å; W155-R157 VanDerWaalsContact C-N 3.29Å; W155-R157 PolarHBondContact O-N 3.41Å; W155-A158 PolarHBondContact O-N 3.33Å; W155-A158 VanDerWaalsContact O-N 3.11Å; W155-T159 HydrophobicContact CD2-CG2 3.88Å; W155-T159 HydrophobicContact CE3-CG2 4.12Å; W155-T159 HydrophobicContact CH2-CG2 3.79Å; W155-T159 HydrophobicContact CZ2-CG2 3.48Å; W155-T159 VanDerWaalsContact CZ2-CG2 3.48Å; W155-T159 HydrophobicContact CZ3-CG2 4.1Å; W155-T159 PolarHBondContact O-N 2.93Å; W155-T159 PolarHBondContact O-OG1 2.98Å; W155-T159 VanDerWaalsContact O-OG1 3.05Å; W155-W230 AromaticContact CH2-CH2 3.68Å; W155-W230 HydrophobicContact CH2-CH2 3.68Å; W155-W230 AromaticContact CH2-CZ2 3.59Å; W155-W230 HydrophobicContact CH2-CZ2 3.59Å; W155-W230 HydrophobicContact CZ2-CH2 4.48Å; W155-W230 AromaticContact CZ2-CZ2 3.97Å; W155-W230 HydrophobicContact CZ2-CZ2 3.97Å; W155-W230 AromaticContact CZ3-CH2 3.91Å; W155-W230 HydrophobicContact CZ3-CH2 3.91Å; W155-W230 AromaticContact CZ3-CZ2 3.93Å; W155-W230 HydrophobicContact CZ3-CZ2 3.93Å; W155-F231 HydrophobicContact CB-CD1 3.92Å; W155-F231 HydrophobicContact CB-CE1 3.93Å; W155-F231 HydrophobicContact CB-CG 4.4Å; W155-F231 HydrophobicContact CB-CZ 4.43Å; W155-F231 HydrophobicContact CD2-CD2 4.36Å; W155-F231 HydrophobicContact CD2-CG 4.49Å; W155-F231 HydrophobicContact CE3-CB 4.48Å; W155-F231 HydrophobicContact CE3-CD1 4.31Å; W155-F231 AromaticContact CE3-CD2 3.29Å; W155-F231 HydrophobicContact CE3-CD2 3.29Å; W155-F231 HydrophobicContact CE3-CE1 4.37Å; W155-F231 AromaticContact CE3-CE2 3.39Å; W155-F231 HydrophobicContact CE3-CE2 3.39Å; W155-F231 AromaticContact CE3-CG 3.79Å; W155-F231 HydrophobicContact CE3-CG 3.79Å; W155-F231 AromaticContact CE3-CZ 3.94Å; W155-F231 HydrophobicContact CE3-CZ 3.94Å; W155-F231 AromaticContact CZ3-CD2 3.66Å; W155-F231 HydrophobicContact CZ3-CD2 3.66Å; W155-F231 AromaticContact CZ3-CE2 3.82Å; W155-F231 HydrophobicContact CZ3-CE2 3.82Å; W155-F231 HydrophobicContact CZ3-CG 4.48Å |
| 156 | S | 92.1 | Very high | 88.4 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55.1 | -46.1 | 178.4 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | H152 E153 T159 D160 | H152-S156 PolarHBondContact O-N 3.22Å; E153-S156 WeakPolarHBondContact O-CB 3.25Å; E153-S156 PolarHBondContact O-N 3.05Å; S156-T159 PolarHBondContact O-N 3.5Å; S156-T159 PolarHBondContact O-OG1 2.99Å; S156-D160 PolarHBondContact O-N 3.28Å |
| 157 | R | 90.9 | Very high | 89.7 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 24% | 0.242 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 177.3 | -63.2 | -56.9 | -171.7 | 169.4 | 6.9 | 112.9 | L148 E153 M154 W155 T159 D160 L281 | L148-R157 HydrophobicContact CD2-CG 4.29Å; E153-R157 WeakPolarHBondContact O-CG 3.4Å; E153-R157 PolarHBondContact O-N 3.45Å; M154-R157 PolarHBondContact O-N 2.89Å; W155-R157 VanDerWaalsContact C-N 3.29Å; W155-R157 PolarHBondContact O-N 3.41Å; R157-T159 PolarHBondContact O-N 3.38Å; R157-D160 IonicContact NH1-OD2 3.79Å; R157-D160 WeakPolarHBondContact O-CB 3.35Å; R157-D160 PolarHBondContact O-N 3.05Å; R157-L281 HydrophobicContact CB-CD1 3.84Å; R157-L281 HydrophobicContact CB-CG 4.34Å |
| 158 | A | 91.1 | Very high | 91 | Very high | 24 Ų | 24 | 55.7 Ų | 55.7 | 20% | 0.198 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.9 | -25 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M154 W155 F163 F231 | M154-A158 VanDerWaalsContact O-CB 3.31Å; M154-A158 WeakPolarHBondContact O-CB 3.37Å; M154-A158 PolarHBondContact O-N 2.88Å; W155-A158 PolarHBondContact O-N 3.33Å; W155-A158 VanDerWaalsContact O-N 3.11Å; A158-F163 HydrophobicContact CB-CD1 4.35Å; A158-F163 HydrophobicContact CB-CE1 4.49Å; A158-F231 HydrophobicContact CB-CZ 4.26Å |
| 159 | T | 92.8 | Very high | 91.9 | Very high | 53 Ų | 53 | 61 Ų | 61 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -3.1 | 174.8 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | W155 S156 R157 I164 | W155-T159 HydrophobicContact CD2-CG2 3.88Å; W155-T159 HydrophobicContact CE3-CG2 4.12Å; W155-T159 HydrophobicContact CH2-CG2 3.79Å; W155-T159 HydrophobicContact CZ2-CG2 3.48Å; W155-T159 VanDerWaalsContact CZ2-CG2 3.48Å; W155-T159 HydrophobicContact CZ3-CG2 4.1Å; W155-T159 PolarHBondContact O-N 2.93Å; W155-T159 PolarHBondContact O-OG1 2.98Å; W155-T159 VanDerWaalsContact O-OG1 3.05Å; S156-T159 PolarHBondContact O-N 3.5Å; S156-T159 PolarHBondContact O-OG1 2.99Å; R157-T159 PolarHBondContact O-N 3.38Å; T159-I164 VanDerWaalsContact O-CD1 3.3Å; T159-I164 WeakPolarHBondContact O-CD1 3.23Å |
| 160 | D | 92 | Very high | 92.9 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 20% | 0.203 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -62.4 | 139.8 | 175.5 | -76.3 | -30.1 | 0 | 0 | 0 | 110 | S156 R157 S162 F163 I164 H283 | S156-D160 PolarHBondContact O-N 3.28Å; R157-D160 IonicContact NH1-OD2 3.79Å; R157-D160 WeakPolarHBondContact O-CB 3.35Å; R157-D160 PolarHBondContact O-N 3.05Å; D160-S162 PolarHBondContact O-N 3.06Å; D160-S162 VanDerWaalsContact O-N 3.11Å; D160-F163 PolarHBondContact O-N 3.13Å; D160-F163 VanDerWaalsContact O-N 3.1Å; D160-I164 PolarHBondContact O-N 2.89Å; D160-I164 VanDerWaalsContact O-N 3.11Å; D160-H283 IonicContact OD2-CE1 2.6Å; D160-H283 PolarHBondContact OD2-CE1 2.94Å; D160-H283 IonicContact OD2-ND1 3.63Å |
| 161 | P | 93.8 | Very high | 93.4 | Very high | 94 Ų | 94 | 57.9 Ų | 57.9 | 61% | 0.61 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -55.5 | -35.2 | -175.4 | -27.5 | 34.1 | 0 | 0 | 0 | 113.6 | I164 I165 | P161-I164 PolarHBondContact O-N 3.23Å; P161-I165 WeakPolarHBondContact O-CB 3.48Å; P161-I165 WeakPolarHBondContact O-CD1 3.47Å; P161-I165 WeakPolarHBondContact O-CG1 3.3Å; P161-I165 PolarHBondContact O-N 3.49Å |
| 162 | S | 92.3 | Very high | 93.7 | Very high | 41 Ų | 41 | 62.5 Ų | 62.5 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 179.2 | 58.8 | 0 | 0 | 0 | 0 | 111.6 | D160 I165 Y166 V280 H283 | D160-S162 PolarHBondContact O-N 3.06Å; D160-S162 VanDerWaalsContact O-N 3.11Å; S162-I165 PolarHBondContact O-N 3.39Å; S162-Y166 PolarHBondContact O-N 2.92Å; S162-V280 VanDerWaalsContact O-CG1 3.32Å; S162-V280 WeakPolarHBondContact O-CG1 3.46Å; S162-H283 PolarHBondContact OG-CE1 3.38Å; S162-H283 PolarHBondContact OG-NE2 3.42Å |
| 163 | F | 93.5 | Very high | 94.1 | Very high | 18 Ų | 18 | 57.4 Ų | 57.4 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.7 | -34.8 | -179.5 | -170.2 | -100.6 | 0 | 0 | 0 | 112.5 | A158 D160 Y166 S167 V206 V280 L281 | A158-F163 HydrophobicContact CB-CD1 4.35Å; A158-F163 HydrophobicContact CB-CE1 4.49Å; D160-F163 PolarHBondContact O-N 3.13Å; D160-F163 VanDerWaalsContact O-N 3.1Å; F163-Y166 HydrophobicContact CD2-CD1 4.38Å; F163-Y166 HydrophobicContact CE2-CD1 4.14Å; F163-Y166 PolarHBondContact O-N 3.31Å; F163-S167 WeakPolarHBondContact CE1-OG 3.47Å; F163-S167 WeakPolarHBondContact O-CB 3.34Å; F163-S167 PolarHBondContact O-N 3.31Å; F163-S167 PolarHBondContact O-OG 3.24Å; F163-V206 HydrophobicContact CE1-CG1 4.5Å; F163-V206 HydrophobicContact CE2-CG1 4.16Å; F163-V206 HydrophobicContact CE2-CG2 4.32Å; F163-V206 HydrophobicContact CZ-CB 4.33Å; F163-V206 HydrophobicContact CZ-CG1 3.66Å; F163-V206 HydrophobicContact CZ-CG2 4.37Å; F163-V280 HydrophobicContact CB-CG1 4.18Å; F163-V280 HydrophobicContact CD2-CG1 4.31Å; F163-L281 HydrophobicContact CB-CD1 4.38Å; F163-L281 HydrophobicContact CD1-CD1 4.05Å; F163-L281 HydrophobicContact CD2-CB 3.73Å; F163-L281 HydrophobicContact CD2-CD1 3.7Å; F163-L281 HydrophobicContact CD2-CG 4.29Å; F163-L281 HydrophobicContact CE1-CD1 4.28Å; F163-L281 HydrophobicContact CE2-CB 3.99Å; F163-L281 HydrophobicContact CE2-CD1 3.97Å; F163-L281 HydrophobicContact CE2-CG 4.41Å; F163-L281 HydrophobicContact CG-CD1 3.75Å; F163-L281 HydrophobicContact CZ-CD1 4.26Å |
| 164 | I | 95.4 | Very high | 94.5 | Very high | 74 Ų | 74 | 54.9 Ų | 54.9 | 38% | 0.379 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 172.7 | -65.7 | 175.8 | 0 | 0 | 0 | 110.3 | T159 D160 P161 Y166 S167 L168 | T159-I164 VanDerWaalsContact O-CD1 3.3Å; T159-I164 WeakPolarHBondContact O-CD1 3.23Å; D160-I164 PolarHBondContact O-N 2.89Å; D160-I164 VanDerWaalsContact O-N 3.11Å; P161-I164 PolarHBondContact O-N 3.23Å; I164-Y166 VanDerWaalsContact C-N 3.35Å; I164-Y166 PolarHBondContact O-N 3.46Å; I164-S167 PolarHBondContact O-N 2.94Å; I164-L168 HydrophobicContact CG2-CD1 3.88Å; I164-L168 HydrophobicContact CG2-CG 4.3Å; I164-L168 WeakPolarHBondContact O-CB 3.35Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.25Å; I164-L168 PolarHBondContact O-N 2.93Å |
| 165 | I | 96 | Very high | 94.8 | Very high | 116 Ų | 116 | 58.6 Ų | 58.6 | 60% | 0.595 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60 | -45.4 | 178 | -70.3 | 164.3 | 0 | 0 | 0 | 110.7 | P161 S162 L168 F169 | P161-I165 WeakPolarHBondContact O-CB 3.48Å; P161-I165 WeakPolarHBondContact O-CD1 3.47Å; P161-I165 WeakPolarHBondContact O-CG1 3.3Å; P161-I165 PolarHBondContact O-N 3.49Å; S162-I165 PolarHBondContact O-N 3.39Å; I165-L168 PolarHBondContact O-N 3.43Å; I165-F169 WeakPolarHBondContact O-CB 3.4Å; I165-F169 PolarHBondContact O-N 2.93Å |
| 166 | Y | 95.4 | Very high | 95.1 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 175.8 | 169.4 | -96.2 | 0 | 0 | 0 | 112.2 | S162 F163 I164 L168 F169 V170 S202 L203 F273 I276 A277 | S162-Y166 PolarHBondContact O-N 2.92Å; F163-Y166 HydrophobicContact CD2-CD1 4.38Å; F163-Y166 HydrophobicContact CE2-CD1 4.14Å; F163-Y166 PolarHBondContact O-N 3.31Å; I164-Y166 VanDerWaalsContact C-N 3.35Å; I164-Y166 PolarHBondContact O-N 3.46Å; Y166-L168 PolarHBondContact O-N 3.37Å; Y166-F169 WeakPolarHBondContact O-CB 3.23Å; Y166-F169 PolarHBondContact O-N 3.41Å; Y166-V170 HydrophobicContact CD2-CG2 4.36Å; Y166-V170 HydrophobicContact CE1-CG2 3.96Å; Y166-V170 HydrophobicContact CE2-CG2 3.82Å; Y166-V170 WeakPolarHBondContact O-CG2 3.48Å; Y166-V170 PolarHBondContact O-N 3.2Å; Y166-S202 PolarHBondContact OH-OG 3.37Å; Y166-L203 HydrophobicContact CD1-CD2 4.39Å; Y166-L203 HydrophobicContact CE1-CD2 3.78Å; Y166-F273 HydrophobicContact CE2-CD1 4.44Å; Y166-F273 PolarHBondContact OH-O 2.96Å; Y166-I276 HydrophobicContact CD2-CG2 3.68Å; Y166-I276 HydrophobicContact CE2-CB 4.02Å; Y166-I276 HydrophobicContact CE2-CG2 3.44Å; Y166-I276 VanDerWaalsContact CE2-CG2 3.44Å; Y166-A277 HydrophobicContact CD1-CB 4.37Å; Y166-A277 HydrophobicContact CE1-CB 3.46Å; Y166-A277 VanDerWaalsContact CE1-CB 3.46Å; Y166-A277 WeakPolarHBondContact OH-CB 3.36Å |
| 167 | S | 95.9 | Very high | 95.4 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 15% | 0.154 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | -179.5 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | F163 I164 F169 V170 I171 | F163-S167 WeakPolarHBondContact CE1-OG 3.47Å; F163-S167 WeakPolarHBondContact O-CB 3.34Å; F163-S167 PolarHBondContact O-N 3.31Å; F163-S167 PolarHBondContact O-OG 3.24Å; I164-S167 PolarHBondContact O-N 2.94Å; S167-F169 VanDerWaalsContact C-N 3.35Å; S167-F169 PolarHBondContact O-N 3.48Å; S167-V170 PolarHBondContact O-N 3.47Å; S167-I171 WeakPolarHBondContact O-CD1 3.35Å; S167-I171 VanDerWaalsContact O-CG1 3.24Å; S167-I171 WeakPolarHBondContact O-CG1 3.2Å; S167-I171 PolarHBondContact O-N 2.94Å |
| 168 | L | 96.7 | Very high | 95.6 | Very high | 106 Ų | 106 | 52.7 Ų | 52.7 | 56% | 0.555 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.8 | -40.8 | 174.7 | -71.2 | 175 | 0 | 0 | 0 | 111.9 | I164 I165 Y166 I171 L172 | I164-L168 HydrophobicContact CG2-CD1 3.88Å; I164-L168 HydrophobicContact CG2-CG 4.3Å; I164-L168 WeakPolarHBondContact O-CB 3.35Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.25Å; I164-L168 PolarHBondContact O-N 2.93Å; I165-L168 PolarHBondContact O-N 3.43Å; Y166-L168 PolarHBondContact O-N 3.37Å; L168-I171 PolarHBondContact O-N 3.24Å; L168-L172 VanDerWaalsContact O-CB 3.27Å; L168-L172 WeakPolarHBondContact O-CB 3.32Å; L168-L172 PolarHBondContact O-N 3.43Å |
| 169 | F | 97.4 | Very high | 95.9 | Very high | 117 Ų | 117 | 58.5 Ų | 58.5 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 174.8 | 169.4 | -98.8 | 0 | 0 | 0 | 111.6 | I165 Y166 S167 I171 L172 L173 F273 | I165-F169 WeakPolarHBondContact O-CB 3.4Å; I165-F169 PolarHBondContact O-N 2.93Å; Y166-F169 WeakPolarHBondContact O-CB 3.23Å; Y166-F169 PolarHBondContact O-N 3.41Å; S167-F169 VanDerWaalsContact C-N 3.35Å; S167-F169 PolarHBondContact O-N 3.48Å; F169-I171 PolarHBondContact O-N 2.99Å; F169-L172 PolarHBondContact O-N 3.43Å; F169-L173 HydrophobicContact CE1-CD2 4.22Å; F169-L173 HydrophobicContact CZ-CD2 4.33Å; F169-L173 WeakPolarHBondContact O-CB 3.36Å; F169-L173 PolarHBondContact O-N 3.06Å; F169-F273 HydrophobicContact CE1-CE1 4.35Å |
| 170 | V | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 178.6 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | Y166 S167 S174 S199 L203 F273 | Y166-V170 HydrophobicContact CD2-CG2 4.36Å; Y166-V170 HydrophobicContact CE1-CG2 3.96Å; Y166-V170 HydrophobicContact CE2-CG2 3.82Å; Y166-V170 WeakPolarHBondContact O-CG2 3.48Å; Y166-V170 PolarHBondContact O-N 3.2Å; S167-V170 PolarHBondContact O-N 3.47Å; V170-S174 WeakPolarHBondContact O-CB 3.35Å; V170-S174 PolarHBondContact O-N 3.39Å; V170-S174 PolarHBondContact O-OG 3.02Å; V170-S199 WeakPolarHBondContact CG1-O 3.45Å; V170-L203 HydrophobicContact CB-CD1 4.17Å; V170-L203 HydrophobicContact CG1-CD1 3.63Å; V170-L203 HydrophobicContact CG1-CG 3.94Å; V170-F273 HydrophobicContact CG2-CD1 4.15Å; V170-F273 HydrophobicContact CG2-CE1 4.25Å |
| 171 | I | 96.6 | Very high | 96.3 | Very high | 61 Ų | 61 | 60.8 Ų | 60.8 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 176.9 | -67.8 | 163.8 | 0 | 0 | 0 | 110.2 | S167 L168 F169 S174 I175 L203 W238 | S167-I171 WeakPolarHBondContact O-CD1 3.35Å; S167-I171 VanDerWaalsContact O-CG1 3.24Å; S167-I171 WeakPolarHBondContact O-CG1 3.2Å; S167-I171 PolarHBondContact O-N 2.94Å; L168-I171 PolarHBondContact O-N 3.24Å; F169-I171 PolarHBondContact O-N 2.99Å; I171-S174 WeakPolarHBondContact O-CB 3.46Å; I171-S174 PolarHBondContact O-N 3.44Å; I171-I175 HydrophobicContact CG2-CD1 3.88Å; I171-I175 VanDerWaalsContact O-CG1 3.31Å; I171-I175 WeakPolarHBondContact O-CG1 3.36Å; I171-I175 PolarHBondContact O-N 3.21Å; I171-L203 HydrophobicContact CG1-CD1 4.43Å; I171-W238 HydrophobicContact CD1-CH2 3.79Å; I171-W238 HydrophobicContact CD1-CZ2 4.36Å; I171-W238 HydrophobicContact CG1-CH2 4.38Å |
| 172 | L | 97.5 | Very high | 96.4 | Very high | 109 Ų | 109 | 56.6 Ų | 56.6 | 57% | 0.571 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 179.1 | -178.4 | 63.5 | 0 | 0 | 0 | 111.7 | L168 F169 S174 I175 V176 | L168-L172 VanDerWaalsContact O-CB 3.27Å; L168-L172 WeakPolarHBondContact O-CB 3.32Å; L168-L172 PolarHBondContact O-N 3.43Å; F169-L172 PolarHBondContact O-N 3.43Å; L172-S174 VanDerWaalsContact C-N 3.28Å; L172-S174 PolarHBondContact O-N 3.28Å; L172-I175 PolarHBondContact O-N 2.88Å; L172-V176 WeakPolarHBondContact O-CG2 3.27Å; L172-V176 PolarHBondContact O-N 3.42Å |
| 173 | L | 97.7 | Very high | 96.5 | Very high | 41 Ų | 41 | 59.6 Ų | 59.6 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.8 | -46.4 | 174 | 175.8 | 64.4 | 0 | 0 | 0 | 110.4 | F169 V176 L177 F273 | F169-L173 HydrophobicContact CE1-CD2 4.22Å; F169-L173 HydrophobicContact CZ-CD2 4.33Å; F169-L173 WeakPolarHBondContact O-CB 3.36Å; F169-L173 PolarHBondContact O-N 3.06Å; L173-V176 PolarHBondContact O-N 2.94Å; L173-L177 HydrophobicContact CD1-CD1 3.95Å; L173-L177 HydrophobicContact CD1-CG 4.21Å; L173-L177 HydrophobicContact CG-CD1 3.79Å; L173-L177 HydrophobicContact CG-CG 4.46Å; L173-L177 WeakPolarHBondContact O-CB 3.22Å; L173-L177 WeakPolarHBondContact O-CD1 3.01Å; L173-L177 VanDerWaalsContact O-CG 3.22Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 3.46Å; L173-F273 HydrophobicContact CD2-CE1 4.13Å; L173-F273 HydrophobicContact CD2-CZ 3.66Å |
| 174 | S | 97.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 67.1 Ų | 67.1 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.6 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | V170 I171 L172 V176 L177 I178 S199 I200 | V170-S174 WeakPolarHBondContact O-CB 3.35Å; V170-S174 PolarHBondContact O-N 3.39Å; V170-S174 PolarHBondContact O-OG 3.02Å; I171-S174 WeakPolarHBondContact O-CB 3.46Å; I171-S174 PolarHBondContact O-N 3.44Å; L172-S174 VanDerWaalsContact C-N 3.28Å; L172-S174 PolarHBondContact O-N 3.28Å; S174-V176 PolarHBondContact O-N 2.9Å; S174-L177 PolarHBondContact O-N 3.25Å; S174-I178 VanDerWaalsContact O-CB 3.25Å; S174-I178 WeakPolarHBondContact O-CB 3.31Å; S174-I178 WeakPolarHBondContact O-CD1 3.25Å; S174-I178 WeakPolarHBondContact O-CG1 3.46Å; S174-I178 PolarHBondContact O-N 3.35Å; S174-S199 PolarHBondContact OG-OG 2.59Å; S174-I200 WeakPolarHBondContact OG-CG1 3.31Å |
| 175 | I | 97.6 | Very high | 96.5 | Very high | 81 Ų | 81 | 68.9 Ų | 68.9 | 42% | 0.415 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 176.1 | -71.2 | 169 | 0 | 0 | 0 | 110.8 | I171 L172 L177 I178 F179 | I171-I175 HydrophobicContact CG2-CD1 3.88Å; I171-I175 VanDerWaalsContact O-CG1 3.31Å; I171-I175 WeakPolarHBondContact O-CG1 3.36Å; I171-I175 PolarHBondContact O-N 3.21Å; L172-I175 PolarHBondContact O-N 2.88Å; I175-L177 PolarHBondContact O-N 3.49Å; I175-I178 PolarHBondContact O-N 3.41Å; I175-F179 HydrophobicContact CB-CD2 4.47Å; I175-F179 HydrophobicContact CG2-CD2 3.85Å; I175-F179 HydrophobicContact CG2-CE2 4.34Å; I175-F179 WeakPolarHBondContact O-CD2 3.45Å; I175-F179 PolarHBondContact O-N 2.83Å |
| 176 | V | 97.9 | Very high | 96.3 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 33% | 0.327 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 177.9 | 169.7 | 0 | 0 | 0 | 0 | 111 | L172 L173 S174 I178 I180 L181 | L172-V176 WeakPolarHBondContact O-CG2 3.27Å; L172-V176 PolarHBondContact O-N 3.42Å; L173-V176 PolarHBondContact O-N 2.94Å; S174-V176 PolarHBondContact O-N 2.9Å; V176-I178 VanDerWaalsContact C-N 3.31Å; V176-I178 PolarHBondContact O-N 3.39Å; V176-I180 HydrophobicContact CG1-CD1 4.35Å; V176-I180 HydrophobicContact CG2-CD1 4.45Å; V176-I180 WeakPolarHBondContact O-CA 3.38Å; V176-I180 VanDerWaalsContact O-CB 3.31Å; V176-I180 WeakPolarHBondContact O-CB 3.48Å; V176-I180 PolarHBondContact O-N 3.47Å; V176-L181 HydrophobicContact CG1-CD1 4.39Å; V176-L181 PolarHBondContact O-N 2.92Å; V176-L181 VanDerWaalsContact O-N 3.1Å |
| 177 | L | 97.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -63.8 | -37.1 | 177.8 | -71.8 | 165.6 | 0 | 0 | 0 | 112.1 | L173 S174 I175 L181 G182 I192 L195 V196 | L173-L177 HydrophobicContact CD1-CD1 3.95Å; L173-L177 HydrophobicContact CD1-CG 4.21Å; L173-L177 HydrophobicContact CG-CD1 3.79Å; L173-L177 HydrophobicContact CG-CG 4.46Å; L173-L177 WeakPolarHBondContact O-CB 3.22Å; L173-L177 WeakPolarHBondContact O-CD1 3.01Å; L173-L177 VanDerWaalsContact O-CG 3.22Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 3.46Å; S174-L177 PolarHBondContact O-N 3.25Å; I175-L177 PolarHBondContact O-N 3.49Å; L177-L181 HydrophobicContact CD2-CD1 3.83Å; L177-G182 VanDerWaalsContact O-CA 3.25Å; L177-G182 WeakPolarHBondContact O-CA 3.3Å; L177-G182 PolarHBondContact O-N 3.17Å; L177-I192 HydrophobicContact CD2-CD1 4.14Å; L177-I192 HydrophobicContact CD2-CG2 4.16Å; L177-L195 HydrophobicContact CD1-CB 4.02Å; L177-L195 HydrophobicContact CD1-CD2 3.65Å; L177-L195 HydrophobicContact CD1-CG 3.85Å; L177-L195 HydrophobicContact CD2-CD2 4.05Å; L177-L195 HydrophobicContact CG-CD2 4.47Å; L177-V196 HydrophobicContact CB-CG2 3.39Å; L177-V196 HydrophobicContact CD1-CG2 3.86Å; L177-V196 HydrophobicContact CG-CG2 4.26Å |
| 178 | I | 96.5 | Very high | 96.1 | Very high | 30 Ų | 30 | 71.4 Ų | 71.4 | 15% | 0.154 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -75.5 | -50.7 | -177.1 | -72.6 | 171.1 | 0 | 0 | 0 | 111.8 | S174 I175 V176 P183 V196 Y249 | S174-I178 VanDerWaalsContact O-CB 3.25Å; S174-I178 WeakPolarHBondContact O-CB 3.31Å; S174-I178 WeakPolarHBondContact O-CD1 3.25Å; S174-I178 WeakPolarHBondContact O-CG1 3.46Å; S174-I178 PolarHBondContact O-N 3.35Å; I175-I178 PolarHBondContact O-N 3.41Å; V176-I178 VanDerWaalsContact C-N 3.31Å; V176-I178 PolarHBondContact O-N 3.39Å; I178-P183 WeakPolarHBondContact O-CD 3.39Å; I178-V196 HydrophobicContact CD1-CG1 3.87Å; I178-V196 HydrophobicContact CG1-CG1 3.93Å; I178-V196 HydrophobicContact CG1-CG2 3.98Å; I178-Y249 HydrophobicContact CD1-CD2 4.39Å; I178-Y249 HydrophobicContact CD1-CE2 3.54Å; I178-Y249 HydrophobicContact CG1-CE1 4.09Å; I178-Y249 HydrophobicContact CG1-CE2 3.76Å; I178-Y249 VanDerWaalsContact CG1-CZ 3.48Å; I178-Y249 WeakPolarHBondContact CG1-OH 3.41Å; I178-Y249 WeakPolarHBondContact CG2-OH 3.34Å |
| 179 | F | 97 | Very high | 95.8 | Very high | 147 Ų | 147 | 69.7 Ų | 69.7 | 65% | 0.645 | 34% | 0.343 | S | S | * | . | I | π-helix | trans | -94.3 | -26.9 | -168.9 | -67 | -72.5 | 0 | 0 | 0 | 113.6 | I175 P183 | I175-F179 HydrophobicContact CB-CD2 4.47Å; I175-F179 HydrophobicContact CG2-CD2 3.85Å; I175-F179 HydrophobicContact CG2-CE2 4.34Å; I175-F179 WeakPolarHBondContact O-CD2 3.45Å; I175-F179 PolarHBondContact O-N 2.83Å; F179-P183 WeakPolarHBondContact O-CG 3.2Å |
| 180 | I | 96.5 | Very high | 95.6 | Very high | 86 Ų | 86 | 64.5 Ų | 64.5 | 44% | 0.441 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -104.3 | -56.8 | -176.1 | -53.9 | 178.7 | 0 | 0 | 0 | 110.6 | V176 | V176-I180 HydrophobicContact CG1-CD1 4.35Å; V176-I180 HydrophobicContact CG2-CD1 4.45Å; V176-I180 WeakPolarHBondContact O-CA 3.38Å; V176-I180 VanDerWaalsContact O-CB 3.31Å; V176-I180 WeakPolarHBondContact O-CB 3.48Å; V176-I180 PolarHBondContact O-N 3.47Å |
| 181 | L | 96.7 | Very high | 95.4 | Very high | 53 Ų | 53 | 67.2 Ų | 67.2 | 28% | 0.277 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -83.6 | -30 | -174.3 | -59.9 | 176.1 | 0 | 0 | 0 | 112.5 | V176 L177 R184 Y185 G186 I192 | V176-L181 HydrophobicContact CG1-CD1 4.39Å; V176-L181 PolarHBondContact O-N 2.92Å; V176-L181 VanDerWaalsContact O-N 3.1Å; L177-L181 HydrophobicContact CD2-CD1 3.83Å; L181-R184 PolarHBondContact O-N 2.82Å; L181-Y185 HydrophobicContact CD2-CD2 3.88Å; L181-Y185 HydrophobicContact CD2-CE2 4.07Å; L181-Y185 WeakPolarHBondContact O-CA 3.25Å; L181-Y185 PolarHBondContact O-N 2.84Å; L181-G186 PolarHBondContact O-N 3.42Å; L181-I192 HydrophobicContact CB-CD1 4.14Å; L181-I192 HydrophobicContact CB-CG2 4.19Å; L181-I192 HydrophobicContact CD1-CD1 4.4Å |
| 182 | G | 95.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 65.2 Ų | 65.2 | 6% | 0.062 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.3 | -53.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L177 R184 G186 | L177-G182 VanDerWaalsContact O-CA 3.25Å; L177-G182 WeakPolarHBondContact O-CA 3.3Å; L177-G182 PolarHBondContact O-N 3.17Å; G182-R184 VanDerWaalsContact C-N 3.31Å; G182-R184 PolarHBondContact O-N 3.09Å; G182-G186 WeakPolarHBondContact O-CA 3.46Å; G182-G186 PolarHBondContact O-N 3.03Å |
| 183 | P | 94.3 | Very high | 95.3 | Very high | 103 Ų | 103 | 60 Ų | 60 | 67% | 0.669 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.8 | -32.9 | 179.2 | -23.2 | 35.3 | 0 | 0 | 0 | 113.2 | I178 F179 | I178-P183 WeakPolarHBondContact O-CD 3.39Å; F179-P183 WeakPolarHBondContact O-CG 3.2Å |
| 184 | R | 94.6 | Very high | 95.2 | Very high | 176 Ų | 176 | 58.1 Ų | 58.1 | 66% | 0.664 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -83.7 | -40.6 | -175.7 | -67.2 | -176.5 | 179.1 | 174.6 | 1.6 | 113.5 | L181 G182 | L181-R184 PolarHBondContact O-N 2.82Å; G182-R184 VanDerWaalsContact C-N 3.31Å; G182-R184 PolarHBondContact O-N 3.09Å |
| 185 | Y | 94.4 | Very high | 95.2 | Very high | 112 Ų | 112 | 59.1 Ų | 59.1 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -132.1 | -9.1 | -165.6 | -57 | -61.5 | 0 | 0 | 0 | 114 | L181 K187 T188 N189 | L181-Y185 HydrophobicContact CD2-CD2 3.88Å; L181-Y185 HydrophobicContact CD2-CE2 4.07Å; L181-Y185 WeakPolarHBondContact O-CA 3.25Å; L181-Y185 PolarHBondContact O-N 2.84Å; Y185-K187 VanDerWaalsContact C-N 3.28Å; Y185-K187 PolarHBondContact O-N 2.84Å; Y185-T188 PolarHBondContact O-N 3.21Å; Y185-T188 VanDerWaalsContact O-N 3.15Å; Y185-T188 PolarHBondContact O-OG1 3.07Å; Y185-T188 VanDerWaalsContact O-OG1 3.13Å; Y185-N189 WeakPolarHBondContact O-CB 3.48Å; Y185-N189 PolarHBondContact O-N 3.28Å |
| 186 | G | 93.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -29.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L181 G182 F193 | L181-G186 PolarHBondContact O-N 3.42Å; G182-G186 WeakPolarHBondContact O-CA 3.46Å; G182-G186 PolarHBondContact O-N 3.03Å; G186-F193 VanDerWaalsContact C-CE2 3.46Å; G186-F193 WeakPolarHBondContact O-CD2 3.22Å; G186-F193 VanDerWaalsContact O-CE2 3.23Å; G186-F193 WeakPolarHBondContact O-CE2 3.39Å |
| 187 | K | 93.8 | Very high | 95.2 | Very high | 114 Ų | 114 | 52.9 Ų | 52.9 | 50% | 0.496 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -19.2 | 177 | -62.4 | -168.1 | -174.6 | -173.8 | 0 | 114.1 | D60 Y185 L256 F257 | D60-K187 WeakPolarHBondContact OD1-CE 3.31Å; D60-K187 IonicContact OD1-NZ 2.64Å; D60-K187 PolarHBondContact OD1-NZ 3.03Å; Y185-K187 VanDerWaalsContact C-N 3.28Å; Y185-K187 PolarHBondContact O-N 2.84Å; K187-L256 HydrophobicContact CB-CD2 4.49Å; K187-L256 HydrophobicContact CG-CD1 4.32Å; K187-L256 HydrophobicContact CG-CD2 4.33Å; K187-F257 WeakPolarHBondContact O-CZ 3.49Å |
| 188 | T | 91.7 | Very high | 95.2 | Very high | 92 Ų | 92 | 52.7 Ų | 52.7 | 56% | 0.564 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -29.3 | -176.4 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | Y185 | Y185-T188 PolarHBondContact O-N 3.21Å; Y185-T188 VanDerWaalsContact O-N 3.15Å; Y185-T188 PolarHBondContact O-OG1 3.07Å; Y185-T188 VanDerWaalsContact O-OG1 3.13Å |
| 189 | N | 91.7 | Very high | 95.2 | Very high | 71 Ų | 71 | 51.2 Ų | 51.2 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | trans | -114.6 | 114.1 | -175.7 | -67.9 | -75.7 | 0 | 0 | 0 | 111.2 | Y185 I191 I192 | Y185-N189 WeakPolarHBondContact O-CB 3.48Å; Y185-N189 PolarHBondContact O-N 3.28Å; N189-I191 PolarHBondContact O-N 3.23Å; N189-I191 VanDerWaalsContact O-N 3.14Å; N189-I192 HydrophobicContact CB-CG1 4.12Å; N189-I192 PolarHBondContact O-N 3.16Å | ||
| 190 | P | 92.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 45 Ų | 45 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -23.6 | -178 | 25.2 | -33.8 | 0 | 0 | 0 | 113.1 | I192 T194 F257 I261 I262 L265 | P190-I192 VanDerWaalsContact C-N 3.33Å; P190-I192 PolarHBondContact O-N 3.15Å; P190-T194 VanDerWaalsContact O-CB 3.27Å; P190-T194 WeakPolarHBondContact O-CB 3.27Å; P190-T194 PolarHBondContact O-N 3.42Å; P190-T194 PolarHBondContact O-OG1 3.23Å; P190-F257 VanDerWaalsContact CA-CE2 3.46Å; P190-F257 HydrophobicContact CB-CB 4.41Å; P190-F257 HydrophobicContact CB-CD1 3.99Å; P190-F257 HydrophobicContact CB-CD2 3.81Å; P190-F257 HydrophobicContact CB-CE1 4.19Å; P190-F257 HydrophobicContact CB-CE2 4.04Å; P190-F257 HydrophobicContact CB-CG 3.79Å; P190-F257 HydrophobicContact CB-CZ 4.22Å; P190-F257 HydrophobicContact CG-CD1 4.45Å; P190-F257 HydrophobicContact CG-CE1 4.5Å; P190-I261 HydrophobicContact CB-CG2 4.16Å; P190-I261 HydrophobicContact CG-CG2 4.1Å; P190-I262 HydrophobicContact CB-CD1 3.73Å; P190-L265 HydrophobicContact CB-CD1 4.03Å; P190-L265 HydrophobicContact CG-CD1 4.11Å |
| 191 | I | 93.6 | Very high | 95.2 | Very high | 56 Ų | 56 | 41 Ų | 41 | 29% | 0.287 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.1 | -39.2 | -177.8 | -64 | 174.4 | 0 | 0 | 0 | 111.4 | N189 T194 L195 F269 T311 | N189-I191 PolarHBondContact O-N 3.23Å; N189-I191 VanDerWaalsContact O-N 3.14Å; I191-T194 PolarHBondContact O-N 3.15Å; I191-L195 HydrophobicContact CG2-CB 4.48Å; I191-L195 WeakPolarHBondContact O-CB 3.49Å; I191-L195 PolarHBondContact O-N 3.47Å; I191-F269 HydrophobicContact CG1-CE2 4.48Å; I191-F269 HydrophobicContact CG1-CZ 4.48Å; I191-F269 HydrophobicContact CG2-CE2 3.97Å; I191-F269 HydrophobicContact CG2-CZ 3.88Å; I191-T311 HydrophobicContact CD1-CG2 4.26Å; I191-T311 HydrophobicContact CG1-CG2 4.32Å |
| 192 | I | 95.9 | Very high | 95.2 | Very high | 20 Ų | 20 | 38.4 Ų | 38.4 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -58.7 | -168 | -55.5 | -58.1 | 0 | 0 | 0 | 112 | L177 L181 N189 P190 T194 L195 V196 | L177-I192 HydrophobicContact CD2-CD1 4.14Å; L177-I192 HydrophobicContact CD2-CG2 4.16Å; L181-I192 HydrophobicContact CB-CD1 4.14Å; L181-I192 HydrophobicContact CB-CG2 4.19Å; L181-I192 HydrophobicContact CD1-CD1 4.4Å; N189-I192 HydrophobicContact CB-CG1 4.12Å; N189-I192 PolarHBondContact O-N 3.16Å; P190-I192 VanDerWaalsContact C-N 3.33Å; P190-I192 PolarHBondContact O-N 3.15Å; I192-T194 VanDerWaalsContact C-N 3.32Å; I192-T194 PolarHBondContact O-N 3.44Å; I192-L195 PolarHBondContact O-N 2.88Å; I192-V196 WeakPolarHBondContact O-CG2 3.45Å; I192-V196 PolarHBondContact O-N 3.12Å |
| 193 | F | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.2 | -31.2 | -180 | -63.6 | -35.6 | 0 | 0 | 0 | 112.5 | G186 V196 S197 Y249 R252 A253 L256 | G186-F193 VanDerWaalsContact C-CE2 3.46Å; G186-F193 WeakPolarHBondContact O-CD2 3.22Å; G186-F193 VanDerWaalsContact O-CE2 3.23Å; G186-F193 WeakPolarHBondContact O-CE2 3.39Å; F193-V196 PolarHBondContact O-N 2.96Å; F193-S197 PolarHBondContact O-N 3.18Å; F193-Y249 HydrophobicContact CB-CD1 4.39Å; F193-Y249 AromaticContact CD1-CD1 3.48Å; F193-Y249 HydrophobicContact CD1-CD1 3.48Å; F193-Y249 VanDerWaalsContact CD1-CD1 3.48Å; F193-Y249 AromaticContact CD1-CE1 3.87Å; F193-Y249 HydrophobicContact CD1-CE1 3.87Å; F193-Y249 HydrophobicContact CE1-CD1 4.04Å; F193-Y249 AromaticContact CE1-CE1 3.98Å; F193-Y249 HydrophobicContact CE1-CE1 3.98Å; F193-Y249 HydrophobicContact CG-CD1 4.15Å; F193-R252 HydrophobicContact CD2-CB 3.95Å; F193-R252 HydrophobicContact CE2-CB 4.26Å; F193-R252 HydrophobicContact CG-CB 4.35Å; F193-R252 VanDerWaalsContact CZ-CZ 3.46Å; F193-A253 HydrophobicContact CB-CB 3.93Å; F193-L256 HydrophobicContact CD2-CD1 3.86Å; F193-L256 HydrophobicContact CE2-CD1 3.54Å |
| 194 | T | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.3 | -38.7 | 176.7 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | P190 I191 I192 S197 G198 L265 L266 F269 | P190-T194 VanDerWaalsContact O-CB 3.27Å; P190-T194 WeakPolarHBondContact O-CB 3.27Å; P190-T194 PolarHBondContact O-N 3.42Å; P190-T194 PolarHBondContact O-OG1 3.23Å; I191-T194 PolarHBondContact O-N 3.15Å; I192-T194 VanDerWaalsContact C-N 3.32Å; I192-T194 PolarHBondContact O-N 3.44Å; T194-S197 PolarHBondContact O-N 2.9Å; T194-G198 PolarHBondContact O-N 3.42Å; T194-L265 HydrophobicContact CG2-CB 3.83Å; T194-L266 HydrophobicContact CG2-CB 3.8Å; T194-L266 HydrophobicContact CG2-CD1 4.16Å; T194-L266 VanDerWaalsContact CG2-N 3.29Å; T194-F269 HydrophobicContact CG2-CD2 4.06Å |
| 195 | L | 96.4 | Very high | 95.1 | Very high | 28 Ų | 28 | 28 Ų | 28 | 15% | 0.147 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.5 | -38.5 | 178.1 | -166.1 | 69.7 | 0 | 0 | 0 | 111.5 | L177 I191 I192 G198 S199 F269 F273 | L177-L195 HydrophobicContact CD1-CB 4.02Å; L177-L195 HydrophobicContact CD1-CD2 3.65Å; L177-L195 HydrophobicContact CD1-CG 3.85Å; L177-L195 HydrophobicContact CD2-CD2 4.05Å; L177-L195 HydrophobicContact CG-CD2 4.47Å; I191-L195 HydrophobicContact CG2-CB 4.48Å; I191-L195 WeakPolarHBondContact O-CB 3.49Å; I191-L195 PolarHBondContact O-N 3.47Å; I192-L195 PolarHBondContact O-N 2.88Å; L195-G198 PolarHBondContact O-N 3.04Å; L195-S199 VanDerWaalsContact O-CB 3.25Å; L195-S199 WeakPolarHBondContact O-CB 3.19Å; L195-S199 PolarHBondContact O-N 2.84Å; L195-S199 PolarHBondContact O-OG 3.2Å; L195-F269 HydrophobicContact CD1-CB 4.18Å; L195-F269 HydrophobicContact CD1-CD1 3.57Å; L195-F269 HydrophobicContact CD1-CD2 4Å; L195-F269 HydrophobicContact CD1-CE1 3.88Å; L195-F269 HydrophobicContact CD1-CE2 4.28Å; L195-F269 HydrophobicContact CD1-CG 3.65Å; L195-F269 HydrophobicContact CD1-CZ 4.23Å; L195-F273 HydrophobicContact CD1-CE2 3.68Å; L195-F273 HydrophobicContact CD1-CZ 4.35Å; L195-F273 HydrophobicContact CG-CE2 4.45Å |
| 196 | V | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60 | -51 | 171.5 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | L177 I178 I192 F193 G198 S199 I200 Y249 | L177-V196 HydrophobicContact CB-CG2 3.39Å; L177-V196 HydrophobicContact CD1-CG2 3.86Å; L177-V196 HydrophobicContact CG-CG2 4.26Å; I178-V196 HydrophobicContact CD1-CG1 3.87Å; I178-V196 HydrophobicContact CG1-CG1 3.93Å; I178-V196 HydrophobicContact CG1-CG2 3.98Å; I192-V196 WeakPolarHBondContact O-CG2 3.45Å; I192-V196 PolarHBondContact O-N 3.12Å; F193-V196 PolarHBondContact O-N 2.96Å; V196-G198 PolarHBondContact O-N 3.31Å; V196-S199 PolarHBondContact O-OG 2.87Å; V196-I200 HydrophobicContact CG1-CD1 3.79Å; V196-I200 WeakPolarHBondContact O-CB 3.36Å; V196-I200 WeakPolarHBondContact O-CG1 3.44Å; V196-I200 PolarHBondContact O-N 2.81Å; V196-Y249 HydrophobicContact CB-CD2 4.38Å; V196-Y249 HydrophobicContact CB-CG 4.15Å; V196-Y249 HydrophobicContact CG1-CD1 4.34Å; V196-Y249 HydrophobicContact CG1-CD2 3.41Å; V196-Y249 VanDerWaalsContact CG1-CD2 3.41Å; V196-Y249 HydrophobicContact CG1-CE2 3.94Å; V196-Y249 HydrophobicContact CG1-CG 3.66Å |
| 197 | S | 97.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 3% | 0.028 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 178.6 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | F193 T194 G201 Q246 L266 | F193-S197 PolarHBondContact O-N 3.18Å; T194-S197 PolarHBondContact O-N 2.9Å; S197-G201 WeakPolarHBondContact O-CA 3.38Å; S197-G201 PolarHBondContact O-N 2.94Å; S197-Q246 PolarHBondContact OG-O 3.37Å; S197-Q246 VanDerWaalsContact OG-O 3.12Å; S197-L266 WeakPolarHBondContact OG-CD1 3.39Å |
| 198 | G | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.6 | -43 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T194 L195 V196 G201 S202 | T194-G198 PolarHBondContact O-N 3.42Å; L195-G198 PolarHBondContact O-N 3.04Å; V196-G198 PolarHBondContact O-N 3.31Å; G198-G201 PolarHBondContact O-N 3.12Å; G198-S202 PolarHBondContact O-N 3.38Å; G198-S202 VanDerWaalsContact O-N 3.07Å |
| 199 | S | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -73.1 | -43.8 | -178.5 | 61.2 | 0 | 0 | 0 | 0 | 112.8 | V170 S174 L195 V196 G201 S202 | V170-S199 WeakPolarHBondContact CG1-O 3.45Å; S174-S199 PolarHBondContact OG-OG 2.59Å; L195-S199 VanDerWaalsContact O-CB 3.25Å; L195-S199 WeakPolarHBondContact O-CB 3.19Å; L195-S199 PolarHBondContact O-N 2.84Å; L195-S199 PolarHBondContact O-OG 3.2Å; V196-S199 PolarHBondContact O-OG 2.87Å; S199-G201 PolarHBondContact O-N 2.83Å; S199-S202 PolarHBondContact O-N 3.05Å; S199-S202 PolarHBondContact O-OG 3.47Å |
| 200 | I | 97.6 | Very high | 94.9 | Very high | 17 Ų | 17 | 15.8 Ų | 15.8 | 9% | 0.087 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.8 | -35.1 | 171.1 | -64.1 | 176.5 | 0 | 0 | 0 | 110.5 | S174 V196 S202 L203 S204 A242 I245 Q246 | S174-I200 WeakPolarHBondContact OG-CG1 3.31Å; V196-I200 HydrophobicContact CG1-CD1 3.79Å; V196-I200 WeakPolarHBondContact O-CB 3.36Å; V196-I200 WeakPolarHBondContact O-CG1 3.44Å; V196-I200 PolarHBondContact O-N 2.81Å; I200-S202 VanDerWaalsContact C-N 3.3Å; I200-S202 PolarHBondContact O-N 3.26Å; I200-L203 PolarHBondContact O-N 3.46Å; I200-S204 PolarHBondContact O-N 3.44Å; I200-S204 VanDerWaalsContact O-N 3.14Å; I200-A242 HydrophobicContact CG2-CB 3.93Å; I200-I245 HydrophobicContact CD1-CB 4.17Å; I200-I245 HydrophobicContact CD1-CG2 3.35Å; I200-I245 HydrophobicContact CG2-CB 4.48Å; I200-Q246 HydrophobicContact CB-CB 4.39Å; I200-Q246 HydrophobicContact CG2-CB 4.2Å |
| 201 | G | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -52.2 | -43.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S197 G198 S199 L203 S204 V205 Q246 F270 | S197-G201 WeakPolarHBondContact O-CA 3.38Å; S197-G201 PolarHBondContact O-N 2.94Å; G198-G201 PolarHBondContact O-N 3.12Å; S199-G201 PolarHBondContact O-N 2.83Å; G201-L203 VanDerWaalsContact C-N 3.33Å; G201-L203 PolarHBondContact O-N 3.46Å; G201-S204 WeakPolarHBondContact O-CB 3.48Å; G201-S204 PolarHBondContact O-N 3.44Å; G201-S204 VanDerWaalsContact O-N 3.17Å; G201-S204 PolarHBondContact O-OG 3.34Å; G201-V205 PolarHBondContact O-N 2.87Å; G201-V205 VanDerWaalsContact O-N 3.14Å; G201-Q246 VanDerWaalsContact CA-OE1 3.3Å; G201-F270 VanDerWaalsContact C-CE2 3.48Å |
| 202 | S | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.8 | -38.1 | 179.2 | 70.7 | 0 | 0 | 0 | 0 | 113.2 | Y166 G198 S199 I200 S204 V205 V206 F273 | Y166-S202 PolarHBondContact OH-OG 3.37Å; G198-S202 PolarHBondContact O-N 3.38Å; G198-S202 VanDerWaalsContact O-N 3.07Å; S199-S202 PolarHBondContact O-N 3.05Å; S199-S202 PolarHBondContact O-OG 3.47Å; I200-S202 VanDerWaalsContact C-N 3.3Å; I200-S202 PolarHBondContact O-N 3.26Å; S202-S204 VanDerWaalsContact C-N 3.31Å; S202-S204 PolarHBondContact O-N 3.46Å; S202-V205 WeakPolarHBondContact O-CB 3.26Å; S202-V205 PolarHBondContact O-N 2.94Å; S202-V206 PolarHBondContact O-N 3.48Å; S202-V206 VanDerWaalsContact O-N 3.13Å; S202-F273 VanDerWaalsContact CB-C 3.42Å |
| 203 | L | 95.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 15 Ų | 15 | 5% | 0.047 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.4 | -39.6 | 175.7 | -59.9 | -177.8 | 0 | 0 | 0 | 110.6 | Y166 V170 I171 I200 G201 V205 V206 T207 W238 | Y166-L203 HydrophobicContact CD1-CD2 4.39Å; Y166-L203 HydrophobicContact CE1-CD2 3.78Å; V170-L203 HydrophobicContact CB-CD1 4.17Å; V170-L203 HydrophobicContact CG1-CD1 3.63Å; V170-L203 HydrophobicContact CG1-CG 3.94Å; I171-L203 HydrophobicContact CG1-CD1 4.43Å; I200-L203 PolarHBondContact O-N 3.46Å; G201-L203 VanDerWaalsContact C-N 3.33Å; G201-L203 PolarHBondContact O-N 3.46Å; L203-V205 VanDerWaalsContact C-N 3.27Å; L203-V205 PolarHBondContact O-N 3.4Å; L203-V206 PolarHBondContact O-N 2.83Å; L203-T207 PolarHBondContact O-N 2.96Å; L203-T207 PolarHBondContact O-OG1 3.31Å; L203-W238 HydrophobicContact CD1-CZ2 4.01Å |
| 204 | S | 95.4 | Very high | 94.3 | Very high | 7 Ų | 7 | 15 Ų | 15 | 5% | 0.049 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.8 | -38.9 | 174.6 | 84 | 0 | 0 | 0 | 0 | 112.1 | I200 G201 S202 T207 C208 Q246 | I200-S204 PolarHBondContact O-N 3.44Å; I200-S204 VanDerWaalsContact O-N 3.14Å; G201-S204 WeakPolarHBondContact O-CB 3.48Å; G201-S204 PolarHBondContact O-N 3.44Å; G201-S204 VanDerWaalsContact O-N 3.17Å; G201-S204 PolarHBondContact O-OG 3.34Å; S202-S204 VanDerWaalsContact C-N 3.31Å; S202-S204 PolarHBondContact O-N 3.46Å; S204-T207 PolarHBondContact O-N 3.13Å; S204-C208 WeakPolarHBondContact O-CB 3.42Å; S204-C208 PolarHBondContact O-N 3.23Å; S204-C208 PolarHBondContact O-SG 3.4Å; S204-Q246 PolarHBondContact OG-OE1 3.45Å |
| 205 | V | 92.8 | Very high | 94.1 | Very high | 49 Ų | 49 | 18.6 Ų | 18.6 | 30% | 0.297 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -66 | -45 | 178 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | G201 S202 L203 T207 C208 K209 F270 V274 | G201-V205 PolarHBondContact O-N 2.87Å; G201-V205 VanDerWaalsContact O-N 3.14Å; S202-V205 WeakPolarHBondContact O-CB 3.26Å; S202-V205 PolarHBondContact O-N 2.94Å; L203-V205 VanDerWaalsContact C-N 3.27Å; L203-V205 PolarHBondContact O-N 3.4Å; V205-T207 VanDerWaalsContact C-N 3.28Å; V205-T207 PolarHBondContact O-N 3.3Å; V205-C208 WeakPolarHBondContact O-CB 3.42Å; V205-C208 PolarHBondContact O-N 2.71Å; V205-K209 PolarHBondContact O-N 3.09Å; V205-F270 HydrophobicContact CG2-CE1 4.11Å; V205-F270 HydrophobicContact CG2-CE2 3.94Å; V205-F270 HydrophobicContact CG2-CZ 3.3Å; V205-V274 HydrophobicContact CB-CG2 4.09Å; V205-V274 HydrophobicContact CG1-CG1 4.12Å; V205-V274 HydrophobicContact CG1-CG2 4.35Å; V205-V274 HydrophobicContact CG2-CG2 3.91Å |
| 206 | V | 92.5 | Very high | 93.7 | Very high | 13 Ų | 13 | 23.1 Ų | 23.1 | 8% | 0.079 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | F163 S202 L203 K209 G210 A277 L281 | F163-V206 HydrophobicContact CE1-CG1 4.5Å; F163-V206 HydrophobicContact CE2-CG1 4.16Å; F163-V206 HydrophobicContact CE2-CG2 4.32Å; F163-V206 HydrophobicContact CZ-CB 4.33Å; F163-V206 HydrophobicContact CZ-CG1 3.66Å; F163-V206 HydrophobicContact CZ-CG2 4.37Å; S202-V206 PolarHBondContact O-N 3.48Å; S202-V206 VanDerWaalsContact O-N 3.13Å; L203-V206 PolarHBondContact O-N 2.83Å; V206-K209 WeakPolarHBondContact O-CB 3.35Å; V206-K209 PolarHBondContact O-N 2.68Å; V206-G210 PolarHBondContact O-N 3.12Å; V206-A277 HydrophobicContact CG2-CB 3.66Å; V206-L281 HydrophobicContact CG1-CD2 3.61Å |
| 207 | T | 94 | Very high | 93.2 | Very high | 7 Ų | 7 | 25.1 Ų | 25.1 | 4% | 0.043 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.8 | -44.3 | 177.4 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | L203 S204 V205 K209 G210 I211 L235 W238 L239 | L203-T207 PolarHBondContact O-N 2.96Å; L203-T207 PolarHBondContact O-OG1 3.31Å; S204-T207 PolarHBondContact O-N 3.13Å; V205-T207 VanDerWaalsContact C-N 3.28Å; V205-T207 PolarHBondContact O-N 3.3Å; T207-K209 VanDerWaalsContact C-N 3.26Å; T207-K209 PolarHBondContact O-N 3.06Å; T207-G210 PolarHBondContact O-N 2.71Å; T207-G210 VanDerWaalsContact O-N 3.12Å; T207-I211 HydrophobicContact CG2-CD1 4.14Å; T207-I211 WeakPolarHBondContact O-CG1 3.26Å; T207-I211 PolarHBondContact O-N 3.01Å; T207-L235 HydrophobicContact CG2-CB 3.75Å; T207-L235 HydrophobicContact CG2-CD2 3.79Å; T207-L235 HydrophobicContact CG2-CG 4.35Å; T207-L235 WeakPolarHBondContact CG2-O 3.26Å; T207-W238 HydrophobicContact CG2-CB 4.41Å; T207-L239 HydrophobicContact CG2-CB 3.76Å |
| 208 | C | 92.6 | Very high | 93 | Very high | 61 Ų | 61 | 25.1 Ų | 25.1 | 41% | 0.412 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -55.7 | -42.8 | 171.5 | -82.5 | 0 | 0 | 0 | 0 | 111.4 | S204 V205 G210 I211 G212 L239 | S204-C208 WeakPolarHBondContact O-CB 3.42Å; S204-C208 PolarHBondContact O-N 3.23Å; S204-C208 PolarHBondContact O-SG 3.4Å; V205-C208 WeakPolarHBondContact O-CB 3.42Å; V205-C208 PolarHBondContact O-N 2.71Å; C208-G210 VanDerWaalsContact C-N 3.34Å; C208-G210 PolarHBondContact O-N 2.92Å; C208-I211 PolarHBondContact O-N 3.43Å; C208-G212 PolarHBondContact O-N 2.68Å; C208-L239 WeakPolarHBondContact SG-CD1 3.2Å |
| 209 | K | 89.6 | Confident | 92.7 | Very high | 52 Ų | 52 | 32.2 Ų | 32.2 | 23% | 0.226 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 176.5 | -167.5 | 173.8 | -177.3 | -175.6 | 0 | 111.4 | E145 M154 V205 V206 T207 G212 V213 F282 | E145-K209 IonicContact OE1-NZ 3.16Å; E145-K209 IonicContact OE2-NZ 2.76Å; E145-K209 PolarHBondContact OE2-NZ 3.36Å; M154-K209 HydrophobicContact CE-CB 4.26Å; M154-K209 HydrophobicContact CE-CG 4.18Å; V205-K209 PolarHBondContact O-N 3.09Å; V206-K209 WeakPolarHBondContact O-CB 3.35Å; V206-K209 PolarHBondContact O-N 2.68Å; T207-K209 VanDerWaalsContact C-N 3.26Å; T207-K209 PolarHBondContact O-N 3.06Å; K209-G212 PolarHBondContact O-N 2.91Å; K209-V213 WeakPolarHBondContact O-CG2 3.48Å; K209-V213 PolarHBondContact O-N 3.38Å; K209-F282 HydrophobicContact CD-CE2 4.21Å; K209-F282 HydrophobicContact CD-CZ 3.91Å |
| 210 | G | 92.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L151 M154 V206 T207 C208 G212 V213 G214 | L151-G210 VanDerWaalsContact CD2-O 3.3Å; L151-G210 WeakPolarHBondContact CD2-O 3.41Å; M154-G210 VanDerWaalsContact CE-N 3.34Å; V206-G210 PolarHBondContact O-N 3.12Å; T207-G210 PolarHBondContact O-N 2.71Å; T207-G210 VanDerWaalsContact O-N 3.12Å; C208-G210 VanDerWaalsContact C-N 3.34Å; C208-G210 PolarHBondContact O-N 2.92Å; G210-G212 VanDerWaalsContact C-N 3.33Å; G210-G212 PolarHBondContact O-N 3.26Å; G210-V213 PolarHBondContact O-N 3.1Å; G210-G214 PolarHBondContact O-N 3.34Å |
| 211 | I | 93.4 | Very high | 91.8 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 174.3 | -68.5 | 159.4 | 0 | 0 | 0 | 110.5 | T207 C208 V213 G214 L215 F232 L235 I236 L239 | T207-I211 HydrophobicContact CG2-CD1 4.14Å; T207-I211 WeakPolarHBondContact O-CG1 3.26Å; T207-I211 PolarHBondContact O-N 3.01Å; C208-I211 PolarHBondContact O-N 3.43Å; I211-V213 PolarHBondContact O-N 2.89Å; I211-G214 PolarHBondContact O-N 3.25Å; I211-G214 VanDerWaalsContact O-N 3.16Å; I211-L215 WeakPolarHBondContact O-CB 3.31Å; I211-L215 PolarHBondContact O-N 2.85Å; I211-F232 HydrophobicContact CG2-CE2 4.11Å; I211-L235 HydrophobicContact CD1-CB 4.15Å; I211-L235 HydrophobicContact CG1-CB 3.83Å; I211-L235 HydrophobicContact CG1-CD1 4.35Å; I211-I236 HydrophobicContact CD1-CD1 3.68Å; I211-I236 HydrophobicContact CD1-CG1 4.33Å; I211-I236 HydrophobicContact CG1-CD1 4.13Å; I211-I236 HydrophobicContact CG2-CD1 4.38Å; I211-L239 HydrophobicContact CD1-CB 4.22Å; I211-L239 HydrophobicContact CD1-CD2 3.59Å |
| 212 | G | 90 | Very high | 91.6 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 25% | 0.247 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | C208 K209 G210 L215 K216 | C208-G212 PolarHBondContact O-N 2.68Å; K209-G212 PolarHBondContact O-N 2.91Å; G210-G212 VanDerWaalsContact C-N 3.33Å; G210-G212 PolarHBondContact O-N 3.26Å; G212-L215 PolarHBondContact O-N 3.1Å; G212-K216 WeakPolarHBondContact O-CB 3.44Å; G212-K216 PolarHBondContact O-N 3.02Å |
| 213 | V | 89.3 | Confident | 91.4 | Very high | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.085 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 173.3 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | L148 K209 G210 I211 K216 N217 | L148-V213 HydrophobicContact CB-CG1 4.15Å; L148-V213 HydrophobicContact CB-CG2 4.03Å; K209-V213 WeakPolarHBondContact O-CG2 3.48Å; K209-V213 PolarHBondContact O-N 3.38Å; G210-V213 PolarHBondContact O-N 3.1Å; I211-V213 PolarHBondContact O-N 2.89Å; V213-K216 PolarHBondContact O-N 3.06Å; V213-N217 WeakPolarHBondContact O-CB 3.33Å; V213-N217 PolarHBondContact O-N 3.46Å |
| 214 | G | 91.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L151 G210 I211 N217 A218 | L151-G214 VanDerWaalsContact CG-CA 3.48Å; G210-G214 PolarHBondContact O-N 3.34Å; I211-G214 PolarHBondContact O-N 3.25Å; I211-G214 VanDerWaalsContact O-N 3.16Å; G214-N217 PolarHBondContact O-N 3.38Å; G214-A218 WeakPolarHBondContact O-CB 3.42Å; G214-A218 PolarHBondContact O-N 3.29Å |
| 215 | L | 91.8 | Very high | 90.7 | Very high | 75 Ų | 75 | 54 Ų | 54 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 177.4 | -174.6 | 63.5 | 0 | 0 | 0 | 111.6 | I211 G212 N217 A218 F219 F223 M226 | I211-L215 WeakPolarHBondContact O-CB 3.31Å; I211-L215 PolarHBondContact O-N 2.85Å; G212-L215 PolarHBondContact O-N 3.1Å; L215-N217 PolarHBondContact O-N 2.95Å; L215-A218 WeakPolarHBondContact O-CB 3.44Å; L215-A218 PolarHBondContact O-N 2.88Å; L215-A218 VanDerWaalsContact O-N 3.17Å; L215-F219 HydrophobicContact CD1-CD2 4.43Å; L215-F219 HydrophobicContact CD1-CE2 3.86Å; L215-F219 HydrophobicContact CD1-CZ 4.36Å; L215-F219 HydrophobicContact CD2-CE2 4.16Å; L215-F219 HydrophobicContact CG-CD2 4.13Å; L215-F219 HydrophobicContact CG-CE2 3.66Å; L215-F219 WeakPolarHBondContact O-CD2 3.21Å; L215-F219 PolarHBondContact O-N 2.95Å; L215-F223 HydrophobicContact CD1-CE1 3.93Å; L215-M226 HydrophobicContact CD1-SD 4.48Å |
| 216 | K | 88.4 | Confident | 90.6 | Very high | 123 Ų | 123 | 52.2 Ų | 52.2 | 54% | 0.535 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 174.6 | -177.4 | -176.4 | 175.8 | -172.2 | 0 | 111.2 | G212 V213 A218 F219 T220 | G212-K216 WeakPolarHBondContact O-CB 3.44Å; G212-K216 PolarHBondContact O-N 3.02Å; V213-K216 PolarHBondContact O-N 3.06Å; K216-A218 VanDerWaalsContact C-N 3.27Å; K216-A218 PolarHBondContact O-N 2.88Å; K216-F219 PolarHBondContact O-N 3.15Å; K216-T220 PolarHBondContact O-N 3.04Å; K216-T220 PolarHBondContact O-OG1 3.13Å |
| 217 | N | 88.7 | Confident | 90.6 | Very high | 43 Ų | 43 | 56.3 Ų | 56.3 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.8 | -33.2 | 176.7 | -171.7 | 44.3 | 0 | 0 | 0 | 112.1 | V213 G214 L215 T220 V221 | V213-N217 WeakPolarHBondContact O-CB 3.33Å; V213-N217 PolarHBondContact O-N 3.46Å; G214-N217 PolarHBondContact O-N 3.38Å; L215-N217 PolarHBondContact O-N 2.95Å; N217-T220 WeakPolarHBondContact CA-OG1 2.93Å; N217-T220 PolarHBondContact O-N 2.73Å; N217-T220 PolarHBondContact O-OG1 2.84Å; N217-V221 PolarHBondContact O-N 3.39Å; N217-V221 WeakPolarHBondContact OD1-CG2 3.37Å |
| 218 | A | 91.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G214 L215 K216 T220 G222 F223 M226 | G214-A218 WeakPolarHBondContact O-CB 3.42Å; G214-A218 PolarHBondContact O-N 3.29Å; L215-A218 WeakPolarHBondContact O-CB 3.44Å; L215-A218 PolarHBondContact O-N 2.88Å; L215-A218 VanDerWaalsContact O-N 3.17Å; K216-A218 VanDerWaalsContact C-N 3.27Å; K216-A218 PolarHBondContact O-N 2.88Å; A218-T220 PolarHBondContact O-N 3.42Å; A218-G222 WeakPolarHBondContact CA-O 3.4Å; A218-G222 CarbonylContact O-C 3.46Å; A218-G222 WeakPolarHBondContact O-CA 3.21Å; A218-G222 PolarHBondContact O-N 3.43Å; A218-F223 HydrophobicContact CB-CD1 3.8Å; A218-F223 HydrophobicContact CB-CE1 4.03Å; A218-F223 HydrophobicContact CB-CG 4.2Å; A218-M226 HydrophobicContact CB-CB 4.07Å; A218-M226 HydrophobicContact CB-CG 4.47Å; A218-M226 HydrophobicContact CB-SD 3.74Å |
| 219 | F | 90.5 | Very high | 90.4 | Very high | 149 Ų | 149 | 60.3 Ų | 60.3 | 65% | 0.654 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.9 | -24.9 | 174.2 | -77 | -63.2 | 0 | 0 | 0 | 113.3 | L215 K216 F223 | L215-F219 HydrophobicContact CD1-CD2 4.43Å; L215-F219 HydrophobicContact CD1-CE2 3.86Å; L215-F219 HydrophobicContact CD1-CZ 4.36Å; L215-F219 HydrophobicContact CD2-CE2 4.16Å; L215-F219 HydrophobicContact CG-CD2 4.13Å; L215-F219 HydrophobicContact CG-CE2 3.66Å; L215-F219 WeakPolarHBondContact O-CD2 3.21Å; L215-F219 PolarHBondContact O-N 2.95Å; K216-F219 PolarHBondContact O-N 3.15Å; F219-F223 HydrophobicContact CD1-CE2 4.44Å; F219-F223 HydrophobicContact CD1-CZ 4.09Å; F219-F223 HydrophobicContact CE1-CE2 4.44Å; F219-F223 AromaticContact CE1-CZ 3.82Å; F219-F223 HydrophobicContact CE1-CZ 3.82Å; F219-F223 HydrophobicContact CZ-CZ 4.23Å |
| 220 | T | 89.4 | Confident | 90.6 | Very high | 107 Ų | 107 | 65.5 Ų | 65.5 | 66% | 0.656 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -93.5 | -38.9 | -179.4 | 50.3 | 0 | 0 | 0 | 0 | 113.6 | K216 N217 A218 | K216-T220 PolarHBondContact O-N 3.04Å; K216-T220 PolarHBondContact O-OG1 3.13Å; N217-T220 WeakPolarHBondContact CA-OG1 2.93Å; N217-T220 PolarHBondContact O-N 2.73Å; N217-T220 PolarHBondContact O-OG1 2.84Å; A218-T220 PolarHBondContact O-N 3.42Å |
| 221 | V | 88.5 | Confident | 90.7 | Very high | 98 Ų | 98 | 65.9 Ų | 65.9 | 59% | 0.594 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -109.5 | -12.2 | -173.3 | -171.8 | 0 | 0 | 0 | 0 | 112.4 | N217 | N217-V221 PolarHBondContact O-N 3.39Å; N217-V221 WeakPolarHBondContact OD1-CG2 3.37Å |
| 222 | G | 90 | Very high | 90.7 | Very high | 32 Ų | 32 | 65.2 Ų | 65.2 | 33% | 0.33 | 35% | 0.353 | S | S | . | . | trans | 104.8 | 160.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A218 P225 | A218-G222 WeakPolarHBondContact CA-O 3.4Å; A218-G222 CarbonylContact O-C 3.46Å; A218-G222 WeakPolarHBondContact O-CA 3.21Å; A218-G222 PolarHBondContact O-N 3.43Å; G222-P225 WeakPolarHBondContact O-CD 3.36Å | ||
| 223 | F | 91.8 | Very high | 91 | Very high | 91 Ų | 91 | 70.2 Ų | 70.2 | 40% | 0.399 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -79.2 | -23.7 | -173 | -73.7 | -90 | 0 | 0 | 0 | 114.7 | L215 A218 F219 M226 F227 | L215-F223 HydrophobicContact CD1-CE1 3.93Å; A218-F223 HydrophobicContact CB-CD1 3.8Å; A218-F223 HydrophobicContact CB-CE1 4.03Å; A218-F223 HydrophobicContact CB-CG 4.2Å; F219-F223 HydrophobicContact CD1-CE2 4.44Å; F219-F223 HydrophobicContact CD1-CZ 4.09Å; F219-F223 HydrophobicContact CE1-CE2 4.44Å; F219-F223 AromaticContact CE1-CZ 3.82Å; F219-F223 HydrophobicContact CE1-CZ 3.82Å; F219-F223 HydrophobicContact CZ-CZ 4.23Å; F223-M226 HydrophobicContact CD1-CE 4.04Å; F223-M226 WeakPolarHBondContact O-CB 3.47Å; F223-M226 PolarHBondContact O-N 2.52Å; F223-M226 VanDerWaalsContact O-N 3.16Å; F223-F227 HydrophobicContact CB-CD2 4.16Å; F223-F227 HydrophobicContact CB-CE2 3.88Å; F223-F227 HydrophobicContact CD1-CE2 4.15Å; F223-F227 HydrophobicContact CD1-CZ 4.35Å; F223-F227 HydrophobicContact CG-CE2 4.42Å; F223-F227 WeakPolarHBondContact O-CD2 3.48Å; F223-F227 PolarHBondContact O-N 3.17Å |
| 224 | S | 90.3 | Very high | 91.3 | Very high | 92 Ų | 92 | 73.8 Ų | 73.8 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.5 | -48.1 | -175.8 | -64.3 | 0 | 0 | 0 | 0 | 113.7 | M226 F227 T228 | S224-M226 VanDerWaalsContact C-N 3.25Å; S224-M226 PolarHBondContact O-N 2.65Å; S224-F227 PolarHBondContact O-N 3.27Å; S224-T228 PolarHBondContact O-N 3.07Å; S224-T228 PolarHBondContact O-OG1 2.51Å |
| 225 | P | 86.9 | Confident | 91.5 | Very high | 71 Ų | 71 | 74.3 Ų | 74.3 | 46% | 0.461 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.4 | -31.8 | 178.3 | -23.3 | 34.7 | 0 | 0 | 0 | 113.8 | G222 S229 | G222-P225 WeakPolarHBondContact O-CD 3.36Å; P225-S229 PolarHBondContact O-N 3.16Å |
| 226 | M | 90.4 | Very high | 91.7 | Very high | 11 Ų | 11 | 73 Ų | 73 | 5% | 0.054 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.9 | -49 | 178.2 | -174.1 | -172.6 | 79.4 | 0 | 0 | 111 | L151 L215 A218 F223 S224 S229 F232 | L151-M226 HydrophobicContact CD1-CG 4.17Å; L215-M226 HydrophobicContact CD1-SD 4.48Å; A218-M226 HydrophobicContact CB-CB 4.07Å; A218-M226 HydrophobicContact CB-CG 4.47Å; A218-M226 HydrophobicContact CB-SD 3.74Å; F223-M226 HydrophobicContact CD1-CE 4.04Å; F223-M226 WeakPolarHBondContact O-CB 3.47Å; F223-M226 PolarHBondContact O-N 2.52Å; F223-M226 VanDerWaalsContact O-N 3.16Å; S224-M226 VanDerWaalsContact C-N 3.25Å; S224-M226 PolarHBondContact O-N 2.65Å; M226-S229 WeakPolarHBondContact O-CB 3.25Å; M226-S229 PolarHBondContact O-N 3.39Å; M226-F232 HydrophobicContact CE-CE1 4.13Å; M226-F232 HydrophobicContact CE-CE2 4.04Å; M226-F232 HydrophobicContact CE-CZ 3.7Å; M226-F232 HydrophobicContact CG-CD1 4.46Å; M226-F232 HydrophobicContact CG-CD2 3.75Å; M226-F232 HydrophobicContact CG-CE2 3.88Å; M226-F232 HydrophobicContact CG-CG 4.06Å; M226-F232 HydrophobicContact CG-CZ 4.32Å; M226-F232 WeakPolarHBondContact O-CB 3.49Å; M226-F232 HydrophobicContact SD-CD2 4.21Å; M226-F232 HydrophobicContact SD-CE2 3.72Å; M226-F232 HydrophobicContact SD-CZ 4.04Å |
| 227 | F | 91.6 | Very high | 92.1 | Very high | 100 Ų | 100 | 73 Ų | 73 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -73.4 | -25.5 | -178.2 | -66.2 | -49 | 0 | 0 | 0 | 113.8 | F223 S224 S229 F232 W233 | F223-F227 HydrophobicContact CB-CD2 4.16Å; F223-F227 HydrophobicContact CB-CE2 3.88Å; F223-F227 HydrophobicContact CD1-CE2 4.15Å; F223-F227 HydrophobicContact CD1-CZ 4.35Å; F223-F227 HydrophobicContact CG-CE2 4.42Å; F223-F227 WeakPolarHBondContact O-CD2 3.48Å; F223-F227 PolarHBondContact O-N 3.17Å; S224-F227 PolarHBondContact O-N 3.27Å; F227-S229 VanDerWaalsContact C-N 3.3Å; F227-F232 HydrophobicContact CD1-CD1 4.45Å; F227-F232 HydrophobicContact CD1-CE1 4.02Å; F227-F232 HydrophobicContact CE1-CE1 4.09Å; F227-W233 HydrophobicContact CD1-CZ2 4.14Å; F227-W233 PolarHBondContact O-NE1 3.49Å |
| 228 | T | 91.5 | Very high | 92.5 | Very high | 119 Ų | 119 | 75.3 Ų | 75.3 | 73% | 0.73 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -73.7 | -22.6 | 173.7 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | S224 W230 | S224-T228 PolarHBondContact O-N 3.07Å; S224-T228 PolarHBondContact O-OG1 2.51Å; T228-W230 PolarHBondContact O-N 3.33Å |
| 229 | S | 90.4 | Very high | 92.7 | Very high | 32 Ų | 32 | 76.3 Ų | 76.3 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | trans | -72.2 | 115.3 | 179.6 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | P225 M226 F227 F231 F232 | P225-S229 PolarHBondContact O-N 3.16Å; M226-S229 WeakPolarHBondContact O-CB 3.25Å; M226-S229 PolarHBondContact O-N 3.39Å; F227-S229 VanDerWaalsContact C-N 3.3Å; S229-F231 PolarHBondContact O-N 3.4Å; S229-F232 WeakPolarHBondContact O-CB 3.24Å; S229-F232 PolarHBondContact O-N 3.12Å; S229-F232 VanDerWaalsContact O-N 3.16Å | ||
| 230 | W | 94 | Very high | 93.1 | Very high | 162 Ų | 162 | 74.2 Ų | 74.2 | 61% | 0.614 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.3 | -32.6 | 174.9 | 79.9 | -86.7 | 0 | 0 | 0 | 112.3 | W155 T228 F232 W233 F234 | W155-W230 AromaticContact CH2-CH2 3.68Å; W155-W230 HydrophobicContact CH2-CH2 3.68Å; W155-W230 AromaticContact CH2-CZ2 3.59Å; W155-W230 HydrophobicContact CH2-CZ2 3.59Å; W155-W230 HydrophobicContact CZ2-CH2 4.48Å; W155-W230 AromaticContact CZ2-CZ2 3.97Å; W155-W230 HydrophobicContact CZ2-CZ2 3.97Å; W155-W230 AromaticContact CZ3-CH2 3.91Å; W155-W230 HydrophobicContact CZ3-CH2 3.91Å; W155-W230 AromaticContact CZ3-CZ2 3.93Å; W155-W230 HydrophobicContact CZ3-CZ2 3.93Å; T228-W230 PolarHBondContact O-N 3.33Å; W230-F232 VanDerWaalsContact C-N 3.3Å; W230-F232 PolarHBondContact O-N 3.43Å; W230-W233 PolarHBondContact O-N 3Å; W230-F234 HydrophobicContact CE3-CB 4.3Å; W230-F234 HydrophobicContact CZ3-CB 4.16Å; W230-F234 HydrophobicContact CZ3-CG 4.42Å; W230-F234 PolarHBondContact O-N 3.26Å |
| 231 | F | 94.2 | Very high | 93.4 | Very high | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.035 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.5 | -34 | 179.3 | -179.6 | -126 | 0 | 0 | 0 | 112.1 | M154 W155 A158 S229 W233 F234 L235 | M154-F231 HydrophobicContact CB-CE1 4.3Å; M154-F231 HydrophobicContact CG-CE1 4.04Å; M154-F231 HydrophobicContact CG-CZ 4.42Å; W155-F231 HydrophobicContact CB-CD1 3.92Å; W155-F231 HydrophobicContact CB-CE1 3.93Å; W155-F231 HydrophobicContact CB-CG 4.4Å; W155-F231 HydrophobicContact CB-CZ 4.43Å; W155-F231 HydrophobicContact CD2-CD2 4.36Å; W155-F231 HydrophobicContact CD2-CG 4.49Å; W155-F231 HydrophobicContact CE3-CB 4.48Å; W155-F231 HydrophobicContact CE3-CD1 4.31Å; W155-F231 AromaticContact CE3-CD2 3.29Å; W155-F231 HydrophobicContact CE3-CD2 3.29Å; W155-F231 HydrophobicContact CE3-CE1 4.37Å; W155-F231 AromaticContact CE3-CE2 3.39Å; W155-F231 HydrophobicContact CE3-CE2 3.39Å; W155-F231 AromaticContact CE3-CG 3.79Å; W155-F231 HydrophobicContact CE3-CG 3.79Å; W155-F231 AromaticContact CE3-CZ 3.94Å; W155-F231 HydrophobicContact CE3-CZ 3.94Å; W155-F231 AromaticContact CZ3-CD2 3.66Å; W155-F231 HydrophobicContact CZ3-CD2 3.66Å; W155-F231 AromaticContact CZ3-CE2 3.82Å; W155-F231 HydrophobicContact CZ3-CE2 3.82Å; W155-F231 HydrophobicContact CZ3-CG 4.48Å; A158-F231 HydrophobicContact CB-CZ 4.26Å; S229-F231 PolarHBondContact O-N 3.4Å; F231-W233 PolarHBondContact O-N 2.95Å; F231-F234 AromaticContact CD2-CD1 3.85Å; F231-F234 HydrophobicContact CD2-CD1 3.85Å; F231-F234 AromaticContact CE2-CD1 3.86Å; F231-F234 HydrophobicContact CE2-CD1 3.86Å; F231-F234 HydrophobicContact CE2-CE1 4.27Å; F231-F234 WeakPolarHBondContact O-CB 3.48Å; F231-F234 PolarHBondContact O-N 2.84Å; F231-L235 HydrophobicContact CD1-CD1 4.2Å; F231-L235 HydrophobicContact CD2-CG 4.34Å; F231-L235 HydrophobicContact CE1-CD1 3.8Å; F231-L235 HydrophobicContact CE1-CD2 4.44Å; F231-L235 HydrophobicContact CE1-CG 4.23Å; F231-L235 HydrophobicContact CE2-CD1 4.44Å; F231-L235 HydrophobicContact CE2-CD2 3.82Å; F231-L235 HydrophobicContact CE2-CG 3.98Å; F231-L235 HydrophobicContact CZ-CD1 3.94Å; F231-L235 HydrophobicContact CZ-CD2 3.73Å; F231-L235 HydrophobicContact CZ-CG 3.94Å; F231-L235 WeakPolarHBondContact O-CG 3.41Å; F231-L235 PolarHBondContact O-N 2.92Å |
| 232 | F | 94.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 66.2 Ų | 66.2 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 174.9 | 175.6 | -100 | 0 | 0 | 0 | 111.6 | L151 I211 M226 F227 S229 W230 L235 I236 | L151-F232 HydrophobicContact CD1-CB 4.08Å; L151-F232 HydrophobicContact CD1-CD2 4.32Å; I211-F232 HydrophobicContact CG2-CE2 4.11Å; M226-F232 HydrophobicContact CE-CE1 4.13Å; M226-F232 HydrophobicContact CE-CE2 4.04Å; M226-F232 HydrophobicContact CE-CZ 3.7Å; M226-F232 HydrophobicContact CG-CD1 4.46Å; M226-F232 HydrophobicContact CG-CD2 3.75Å; M226-F232 HydrophobicContact CG-CE2 3.88Å; M226-F232 HydrophobicContact CG-CG 4.06Å; M226-F232 HydrophobicContact CG-CZ 4.32Å; M226-F232 WeakPolarHBondContact O-CB 3.49Å; M226-F232 HydrophobicContact SD-CD2 4.21Å; M226-F232 HydrophobicContact SD-CE2 3.72Å; M226-F232 HydrophobicContact SD-CZ 4.04Å; F227-F232 HydrophobicContact CD1-CD1 4.45Å; F227-F232 HydrophobicContact CD1-CE1 4.02Å; F227-F232 HydrophobicContact CE1-CE1 4.09Å; S229-F232 WeakPolarHBondContact O-CB 3.24Å; S229-F232 PolarHBondContact O-N 3.12Å; S229-F232 VanDerWaalsContact O-N 3.16Å; W230-F232 VanDerWaalsContact C-N 3.3Å; W230-F232 PolarHBondContact O-N 3.43Å; F232-L235 PolarHBondContact O-N 2.69Å; F232-I236 HydrophobicContact CE1-CG1 4.16Å; F232-I236 HydrophobicContact CZ-CD1 4.3Å; F232-I236 HydrophobicContact CZ-CG1 4.21Å; F232-I236 WeakPolarHBondContact O-CG1 3.4Å; F232-I236 PolarHBondContact O-N 3.3Å; F232-I236 VanDerWaalsContact O-N 3.09Å |
| 233 | W | 95 | Very high | 94.2 | Very high | 129 Ų | 129 | 67.2 Ų | 67.2 | 49% | 0.489 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.3 | -38 | 177.3 | -67.5 | 106.8 | 0 | 0 | 0 | 112.6 | F227 W230 F231 L235 I236 I237 | F227-W233 HydrophobicContact CD1-CZ2 4.14Å; F227-W233 PolarHBondContact O-NE1 3.49Å; W230-W233 PolarHBondContact O-N 3Å; F231-W233 PolarHBondContact O-N 2.95Å; W233-L235 VanDerWaalsContact C-N 3.34Å; W233-L235 PolarHBondContact O-N 3.02Å; W233-I236 PolarHBondContact O-N 3.32Å; W233-I237 WeakPolarHBondContact O-CG1 3.4Å; W233-I237 PolarHBondContact O-N 3.37Å |
| 234 | F | 95.6 | Very high | 94.4 | Very high | 88 Ų | 88 | 67 Ų | 67 | 39% | 0.386 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.1 | -46.8 | 171.7 | 169.9 | -98.4 | 0 | 0 | 0 | 111.5 | W230 F231 I236 I237 W238 | W230-F234 HydrophobicContact CE3-CB 4.3Å; W230-F234 HydrophobicContact CZ3-CB 4.16Å; W230-F234 HydrophobicContact CZ3-CG 4.42Å; W230-F234 PolarHBondContact O-N 3.26Å; F231-F234 AromaticContact CD2-CD1 3.85Å; F231-F234 HydrophobicContact CD2-CD1 3.85Å; F231-F234 AromaticContact CE2-CD1 3.86Å; F231-F234 HydrophobicContact CE2-CD1 3.86Å; F231-F234 HydrophobicContact CE2-CE1 4.27Å; F231-F234 WeakPolarHBondContact O-CB 3.48Å; F231-F234 PolarHBondContact O-N 2.84Å; F234-I236 VanDerWaalsContact C-N 3.33Å; F234-I236 PolarHBondContact O-N 3.49Å; F234-I237 PolarHBondContact O-N 3.47Å; F234-W238 HydrophobicContact CZ-CE3 4.3Å; F234-W238 WeakPolarHBondContact O-CB 3.29Å; F234-W238 PolarHBondContact O-N 3.45Å |
| 235 | L | 95.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 66.1 Ų | 66.1 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 176.8 | -68 | 176.5 | 0 | 0 | 0 | 112 | L151 T207 I211 F231 F232 W233 W238 L239 | L151-L235 HydrophobicContact CD2-CD1 4.37Å; T207-L235 HydrophobicContact CG2-CB 3.75Å; T207-L235 HydrophobicContact CG2-CD2 3.79Å; T207-L235 HydrophobicContact CG2-CG 4.35Å; T207-L235 WeakPolarHBondContact CG2-O 3.26Å; I211-L235 HydrophobicContact CD1-CB 4.15Å; I211-L235 HydrophobicContact CG1-CB 3.83Å; I211-L235 HydrophobicContact CG1-CD1 4.35Å; F231-L235 HydrophobicContact CD1-CD1 4.2Å; F231-L235 HydrophobicContact CD2-CG 4.34Å; F231-L235 HydrophobicContact CE1-CD1 3.8Å; F231-L235 HydrophobicContact CE1-CD2 4.44Å; F231-L235 HydrophobicContact CE1-CG 4.23Å; F231-L235 HydrophobicContact CE2-CD1 4.44Å; F231-L235 HydrophobicContact CE2-CD2 3.82Å; F231-L235 HydrophobicContact CE2-CG 3.98Å; F231-L235 HydrophobicContact CZ-CD1 3.94Å; F231-L235 HydrophobicContact CZ-CD2 3.73Å; F231-L235 HydrophobicContact CZ-CG 3.94Å; F231-L235 WeakPolarHBondContact O-CG 3.41Å; F231-L235 PolarHBondContact O-N 2.92Å; F232-L235 PolarHBondContact O-N 2.69Å; W233-L235 VanDerWaalsContact C-N 3.34Å; W233-L235 PolarHBondContact O-N 3.02Å; L235-W238 PolarHBondContact O-N 3.19Å; L235-L239 VanDerWaalsContact O-CB 3.25Å; L235-L239 WeakPolarHBondContact O-CB 3.5Å; L235-L239 PolarHBondContact O-N 3.31Å |
| 236 | I | 96.4 | Very high | 95.2 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 177.7 | -67 | -71.3 | 0 | 0 | 0 | 111.6 | I211 F232 W233 F234 W238 L239 I240 | I211-I236 HydrophobicContact CD1-CD1 3.68Å; I211-I236 HydrophobicContact CD1-CG1 4.33Å; I211-I236 HydrophobicContact CG1-CD1 4.13Å; I211-I236 HydrophobicContact CG2-CD1 4.38Å; F232-I236 HydrophobicContact CE1-CG1 4.16Å; F232-I236 HydrophobicContact CZ-CD1 4.3Å; F232-I236 HydrophobicContact CZ-CG1 4.21Å; F232-I236 WeakPolarHBondContact O-CG1 3.4Å; F232-I236 PolarHBondContact O-N 3.3Å; F232-I236 VanDerWaalsContact O-N 3.09Å; W233-I236 PolarHBondContact O-N 3.32Å; F234-I236 VanDerWaalsContact C-N 3.33Å; F234-I236 PolarHBondContact O-N 3.49Å; I236-W238 VanDerWaalsContact C-N 3.32Å; I236-W238 PolarHBondContact O-N 3Å; I236-L239 PolarHBondContact O-N 2.9Å; I236-I240 HydrophobicContact CG2-CD1 3.95Å; I236-I240 WeakPolarHBondContact O-CG1 3.15Å; I236-I240 PolarHBondContact O-N 3.35Å |
| 237 | I | 97.2 | Very high | 95.5 | Very high | 124 Ų | 124 | 63.9 Ų | 63.9 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.1 | -44.9 | 179 | -67 | 168.1 | 0 | 0 | 0 | 110.2 | W233 F234 L239 I240 G241 | W233-I237 WeakPolarHBondContact O-CG1 3.4Å; W233-I237 PolarHBondContact O-N 3.37Å; F234-I237 PolarHBondContact O-N 3.47Å; I237-L239 VanDerWaalsContact C-N 3.35Å; I237-L239 PolarHBondContact O-N 2.6Å; I237-I240 PolarHBondContact O-N 3.39Å; I237-G241 PolarHBondContact O-N 2.99Å |
| 238 | W | 96.3 | Very high | 95.8 | Very high | 90 Ų | 90 | 61.9 Ų | 61.9 | 34% | 0.341 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 177.1 | -174.3 | -89.6 | 0 | 0 | 0 | 111.9 | I171 L203 T207 F234 L235 I236 I240 G241 A242 | I171-W238 HydrophobicContact CD1-CH2 3.79Å; I171-W238 HydrophobicContact CD1-CZ2 4.36Å; I171-W238 HydrophobicContact CG1-CH2 4.38Å; L203-W238 HydrophobicContact CD1-CZ2 4.01Å; T207-W238 HydrophobicContact CG2-CB 4.41Å; F234-W238 HydrophobicContact CZ-CE3 4.3Å; F234-W238 WeakPolarHBondContact O-CB 3.29Å; F234-W238 PolarHBondContact O-N 3.45Å; L235-W238 PolarHBondContact O-N 3.19Å; I236-W238 VanDerWaalsContact C-N 3.32Å; I236-W238 PolarHBondContact O-N 3Å; W238-I240 PolarHBondContact O-N 2.83Å; W238-G241 PolarHBondContact O-N 3.4Å; W238-A242 WeakPolarHBondContact O-CB 3.31Å; W238-A242 PolarHBondContact O-N 3.3Å |
| 239 | L | 97.1 | Very high | 96.1 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 13% | 0.131 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 179.2 | -179.3 | 59.9 | 0 | 0 | 0 | 111.6 | T207 C208 I211 L235 I236 I237 G241 A242 I243 | T207-L239 HydrophobicContact CG2-CB 3.76Å; C208-L239 WeakPolarHBondContact SG-CD1 3.2Å; I211-L239 HydrophobicContact CD1-CB 4.22Å; I211-L239 HydrophobicContact CD1-CD2 3.59Å; L235-L239 VanDerWaalsContact O-CB 3.25Å; L235-L239 WeakPolarHBondContact O-CB 3.5Å; L235-L239 PolarHBondContact O-N 3.31Å; I236-L239 PolarHBondContact O-N 2.9Å; I237-L239 VanDerWaalsContact C-N 3.35Å; I237-L239 PolarHBondContact O-N 2.6Å; L239-G241 VanDerWaalsContact C-N 3.34Å; L239-G241 PolarHBondContact O-N 2.63Å; L239-A242 PolarHBondContact O-N 3.43Å; L239-I243 HydrophobicContact CD1-CD1 3.71Å; L239-I243 HydrophobicContact CD1-CG1 3.99Å; L239-I243 HydrophobicContact CD2-CD1 4.46Å; L239-I243 HydrophobicContact CG-CD1 3.81Å; L239-I243 HydrophobicContact CG-CG1 4.41Å; L239-I243 WeakPolarHBondContact O-CB 3.33Å; L239-I243 WeakPolarHBondContact O-CG1 3.39Å; L239-I243 PolarHBondContact O-N 3.47Å |
| 240 | I | 97.4 | Very high | 96.4 | Very high | 104 Ų | 104 | 56 Ų | 56 | 53% | 0.533 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 178.5 | -66.9 | 166.7 | 0 | 0 | 0 | 110.3 | I236 I237 W238 T244 | I236-I240 HydrophobicContact CG2-CD1 3.95Å; I236-I240 WeakPolarHBondContact O-CG1 3.15Å; I236-I240 PolarHBondContact O-N 3.35Å; I237-I240 PolarHBondContact O-N 3.39Å; W238-I240 PolarHBondContact O-N 2.83Å; I240-T244 WeakPolarHBondContact O-CB 3.36Å; I240-T244 PolarHBondContact O-N 3.47Å; I240-T244 PolarHBondContact O-OG1 3.42Å |
| 241 | G | 97.5 | Very high | 96.6 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60 | -48.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | I237 W238 L239 T244 I245 | I237-G241 PolarHBondContact O-N 2.99Å; W238-G241 PolarHBondContact O-N 3.4Å; L239-G241 VanDerWaalsContact C-N 3.34Å; L239-G241 PolarHBondContact O-N 2.63Å; G241-T244 PolarHBondContact O-N 3Å; G241-I245 VanDerWaalsContact O-CG1 3.29Å; G241-I245 WeakPolarHBondContact O-CG1 3.44Å; G241-I245 PolarHBondContact O-N 3.27Å |
| 242 | A | 97.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -47.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I200 W238 L239 T244 I245 Q246 | I200-A242 HydrophobicContact CG2-CB 3.93Å; W238-A242 WeakPolarHBondContact O-CB 3.31Å; W238-A242 PolarHBondContact O-N 3.3Å; L239-A242 PolarHBondContact O-N 3.43Å; A242-T244 VanDerWaalsContact C-N 3.3Å; A242-T244 PolarHBondContact O-N 3.41Å; A242-I245 PolarHBondContact O-N 2.95Å; A242-Q246 WeakPolarHBondContact O-CB 3.22Å; A242-Q246 WeakPolarHBondContact O-CG 3.2Å; A242-Q246 PolarHBondContact O-N 2.93Å; A242-Q246 PolarHBondContact O-OE1 3.35Å |
| 243 | I | 96.5 | Very high | 96.8 | Very high | 53 Ų | 53 | 48.9 Ų | 48.9 | 27% | 0.272 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60 | -41.7 | 176.1 | -69.7 | 174.1 | 0 | 0 | 0 | 110.6 | F75 L239 Q246 M247 | F75-I243 HydrophobicContact CE2-CG2 4.34Å; F75-I243 HydrophobicContact CZ-CG2 4.22Å; L239-I243 HydrophobicContact CD1-CD1 3.71Å; L239-I243 HydrophobicContact CD1-CG1 3.99Å; L239-I243 HydrophobicContact CD2-CD1 4.46Å; L239-I243 HydrophobicContact CG-CD1 3.81Å; L239-I243 HydrophobicContact CG-CG1 4.41Å; L239-I243 WeakPolarHBondContact O-CB 3.33Å; L239-I243 WeakPolarHBondContact O-CG1 3.39Å; L239-I243 PolarHBondContact O-N 3.47Å; I243-Q246 WeakPolarHBondContact O-CG 3.37Å; I243-M247 WeakPolarHBondContact O-CB 3.44Å; I243-M247 PolarHBondContact O-N 2.91Å |
| 244 | T | 97 | Very high | 96.9 | Very high | 88 Ų | 88 | 42.8 Ų | 42.8 | 54% | 0.54 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.7 | -49.2 | 179.6 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | I240 G241 A242 M247 Y248 | I240-T244 WeakPolarHBondContact O-CB 3.36Å; I240-T244 PolarHBondContact O-N 3.47Å; I240-T244 PolarHBondContact O-OG1 3.42Å; G241-T244 PolarHBondContact O-N 3Å; A242-T244 VanDerWaalsContact C-N 3.3Å; A242-T244 PolarHBondContact O-N 3.41Å; T244-M247 PolarHBondContact O-N 3.26Å; T244-Y248 WeakPolarHBondContact O-CB 3.23Å; T244-Y248 PolarHBondContact O-N 3.07Å |
| 245 | I | 96.9 | Very high | 97 | Very high | 73 Ų | 73 | 39.5 Ų | 39.5 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.3 | -48.3 | -178.2 | -60.9 | 163.4 | 0 | 0 | 0 | 110.7 | I200 G241 A242 M247 Y248 Y249 | I200-I245 HydrophobicContact CD1-CB 4.17Å; I200-I245 HydrophobicContact CD1-CG2 3.35Å; I200-I245 HydrophobicContact CG2-CB 4.48Å; G241-I245 VanDerWaalsContact O-CG1 3.29Å; G241-I245 WeakPolarHBondContact O-CG1 3.44Å; G241-I245 PolarHBondContact O-N 3.27Å; A242-I245 PolarHBondContact O-N 2.95Å; I245-M247 VanDerWaalsContact C-N 3.28Å; I245-M247 PolarHBondContact O-N 2.78Å; I245-Y248 WeakPolarHBondContact O-CB 3.49Å; I245-Y248 PolarHBondContact O-N 3.15Å; I245-Y249 HydrophobicContact CG2-CD2 3.82Å; I245-Y249 HydrophobicContact CG2-CE2 3.86Å; I245-Y249 VanDerWaalsContact O-CD2 3.31Å; I245-Y249 WeakPolarHBondContact O-CD2 3.27Å; I245-Y249 PolarHBondContact O-N 2.8Å; I245-Y249 VanDerWaalsContact O-N 3.1Å |
| 246 | Q | 97.1 | Very high | 96.9 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | -179.7 | 82 | -167.1 | 41.2 | 0 | 0 | 110.7 | S197 I200 G201 S204 A242 I243 Y249 L250 | S197-Q246 PolarHBondContact OG-O 3.37Å; S197-Q246 VanDerWaalsContact OG-O 3.12Å; I200-Q246 HydrophobicContact CB-CB 4.39Å; I200-Q246 HydrophobicContact CG2-CB 4.2Å; G201-Q246 VanDerWaalsContact CA-OE1 3.3Å; S204-Q246 PolarHBondContact OG-OE1 3.45Å; A242-Q246 WeakPolarHBondContact O-CB 3.22Å; A242-Q246 WeakPolarHBondContact O-CG 3.2Å; A242-Q246 PolarHBondContact O-N 2.93Å; A242-Q246 PolarHBondContact O-OE1 3.35Å; I243-Q246 WeakPolarHBondContact O-CG 3.37Å; Q246-Y249 PolarHBondContact O-N 3.42Å; Q246-L250 VanDerWaalsContact O-CB 3.27Å; Q246-L250 WeakPolarHBondContact O-CB 3.27Å; Q246-L250 PolarHBondContact O-N 3.4Å |
| 247 | M | 96.2 | Very high | 96.7 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 5% | 0.054 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69 | -38.3 | -179.1 | -168.4 | 63.9 | -156.1 | 0 | 0 | 111.4 | K44 W71 F75 I243 T244 I245 L250 N251 | K44-M247 HydrophobicContact CD-CE 3.25Å; K44-M247 HydrophobicContact CG-CE 4.32Å; W71-M247 HydrophobicContact CZ2-CE 3.83Å; W71-M247 HydrophobicContact CZ2-CG 3.96Å; F75-M247 HydrophobicContact CD2-CE 4.24Å; F75-M247 HydrophobicContact CD2-CG 4.24Å; F75-M247 HydrophobicContact CD2-SD 4.08Å; F75-M247 HydrophobicContact CE2-CG 4.15Å; F75-M247 HydrophobicContact CE2-SD 4.25Å; I243-M247 WeakPolarHBondContact O-CB 3.44Å; I243-M247 PolarHBondContact O-N 2.91Å; T244-M247 PolarHBondContact O-N 3.26Å; I245-M247 VanDerWaalsContact C-N 3.28Å; I245-M247 PolarHBondContact O-N 2.78Å; M247-L250 PolarHBondContact O-N 3.35Å; M247-L250 HydrophobicContact SD-CD2 4.17Å; M247-N251 WeakPolarHBondContact CE-OD1 3.37Å; M247-N251 WeakPolarHBondContact O-CB 3.22Å; M247-N251 PolarHBondContact O-N 2.94Å; M247-N251 PolarHBondContact O-ND2 2.74Å |
| 248 | Y | 97.4 | Very high | 96.5 | Very high | 58 Ų | 58 | 36 Ų | 36 | 23% | 0.227 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.4 | -54.2 | 173.1 | 174.5 | -104.2 | 0 | 0 | 0 | 111.2 | G61 L63 T244 I245 L250 N251 R252 | G61-Y248 WeakPolarHBondContact CA-OH 3.13Å; L63-Y248 HydrophobicContact CD2-CD2 3.63Å; L63-Y248 HydrophobicContact CD2-CE2 3.66Å; T244-Y248 WeakPolarHBondContact O-CB 3.23Å; T244-Y248 PolarHBondContact O-N 3.07Å; I245-Y248 WeakPolarHBondContact O-CB 3.49Å; I245-Y248 PolarHBondContact O-N 3.15Å; Y248-L250 PolarHBondContact O-N 3.32Å; Y248-N251 PolarHBondContact O-N 2.82Å; Y248-R252 HydrophobicContact CE1-CG 4.4Å; Y248-R252 WeakPolarHBondContact O-CG 3.34Å; Y248-R252 PolarHBondContact O-N 3.19Å |
| 249 | Y | 97.7 | Very high | 96.3 | Very high | 22 Ų | 22 | 31.8 Ų | 31.8 | 9% | 0.086 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.9 | -31.6 | -179 | -75.7 | -74 | 0 | 0 | 0 | 113.6 | I178 F193 V196 I245 Q246 N251 R252 A253 | I178-Y249 HydrophobicContact CD1-CD2 4.39Å; I178-Y249 HydrophobicContact CD1-CE2 3.54Å; I178-Y249 HydrophobicContact CG1-CE1 4.09Å; I178-Y249 HydrophobicContact CG1-CE2 3.76Å; I178-Y249 VanDerWaalsContact CG1-CZ 3.48Å; I178-Y249 WeakPolarHBondContact CG1-OH 3.41Å; I178-Y249 WeakPolarHBondContact CG2-OH 3.34Å; F193-Y249 HydrophobicContact CB-CD1 4.39Å; F193-Y249 AromaticContact CD1-CD1 3.48Å; F193-Y249 HydrophobicContact CD1-CD1 3.48Å; F193-Y249 VanDerWaalsContact CD1-CD1 3.48Å; F193-Y249 AromaticContact CD1-CE1 3.87Å; F193-Y249 HydrophobicContact CD1-CE1 3.87Å; F193-Y249 HydrophobicContact CE1-CD1 4.04Å; F193-Y249 AromaticContact CE1-CE1 3.98Å; F193-Y249 HydrophobicContact CE1-CE1 3.98Å; F193-Y249 HydrophobicContact CG-CD1 4.15Å; V196-Y249 HydrophobicContact CB-CD2 4.38Å; V196-Y249 HydrophobicContact CB-CG 4.15Å; V196-Y249 HydrophobicContact CG1-CD1 4.34Å; V196-Y249 HydrophobicContact CG1-CD2 3.41Å; V196-Y249 VanDerWaalsContact CG1-CD2 3.41Å; V196-Y249 HydrophobicContact CG1-CE2 3.94Å; V196-Y249 HydrophobicContact CG1-CG 3.66Å; I245-Y249 HydrophobicContact CG2-CD2 3.82Å; I245-Y249 HydrophobicContact CG2-CE2 3.86Å; I245-Y249 VanDerWaalsContact O-CD2 3.31Å; I245-Y249 WeakPolarHBondContact O-CD2 3.27Å; I245-Y249 PolarHBondContact O-N 2.8Å; I245-Y249 VanDerWaalsContact O-N 3.1Å; Q246-Y249 PolarHBondContact O-N 3.42Å; Y249-N251 VanDerWaalsContact C-N 3.34Å; Y249-R252 PolarHBondContact O-N 3.25Å; Y249-A253 PolarHBondContact O-N 2.95Å |
| 250 | L | 97.4 | Very high | 95.8 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 170 | 177.6 | 55.9 | 0 | 0 | 0 | 111.1 | F41 Q246 M247 Y248 R252 A253 L254 I262 L266 | F41-L250 HydrophobicContact CE1-CD1 4.13Å; F41-L250 HydrophobicContact CE1-CD2 3.94Å; Q246-L250 VanDerWaalsContact O-CB 3.27Å; Q246-L250 WeakPolarHBondContact O-CB 3.27Å; Q246-L250 PolarHBondContact O-N 3.4Å; M247-L250 PolarHBondContact O-N 3.35Å; M247-L250 HydrophobicContact SD-CD2 4.17Å; Y248-L250 PolarHBondContact O-N 3.32Å; L250-R252 VanDerWaalsContact C-N 3.3Å; L250-R252 PolarHBondContact O-N 3.27Å; L250-A253 PolarHBondContact O-N 3.36Å; L250-L254 HydrophobicContact CD1-CD1 4.04Å; L250-L254 HydrophobicContact CD1-CG 4.01Å; L250-L254 HydrophobicContact CG-CD1 3.93Å; L250-L254 HydrophobicContact CG-CG 4.35Å; L250-L254 WeakPolarHBondContact O-CB 3.24Å; L250-L254 WeakPolarHBondContact O-CG 3.32Å; L250-L254 PolarHBondContact O-N 3.04Å; L250-I262 HydrophobicContact CD1-CG2 4.08Å; L250-L266 HydrophobicContact CD1-CD1 4.38Å; L250-L266 HydrophobicContact CD1-CD2 3.64Å; L250-L266 HydrophobicContact CD2-CD2 4.1Å |
| 251 | N | 97.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.6 | -37.1 | 178.5 | -71.1 | -27.5 | 0 | 0 | 0 | 111.8 | L48 Y65 W71 M247 Y248 Y249 L254 D255 | L48-N251 HydrophobicContact CD1-CB 4.26Å; L48-N251 HydrophobicContact CD2-CB 4.07Å; Y65-N251 HydrophobicContact CE1-CB 4.39Å; Y65-N251 HydrophobicContact CE2-CB 4.41Å; Y65-N251 WeakPolarHBondContact CE2-ND2 3.45Å; Y65-N251 PolarHBondContact OH-ND2 3.23Å; W71-N251 WeakPolarHBondContact CZ2-ND2 3.24Å; W71-N251 PolarHBondContact NE1-ND2 3.14Å; W71-N251 PolarHBondContact NE1-OD1 3.47Å; M247-N251 WeakPolarHBondContact CE-OD1 3.37Å; M247-N251 WeakPolarHBondContact O-CB 3.22Å; M247-N251 PolarHBondContact O-N 2.94Å; M247-N251 PolarHBondContact O-ND2 2.74Å; Y248-N251 PolarHBondContact O-N 2.82Å; Y249-N251 VanDerWaalsContact C-N 3.34Å; N251-L254 PolarHBondContact O-N 3.24Å; N251-D255 WeakPolarHBondContact O-CB 3.46Å; N251-D255 PolarHBondContact O-N 2.76Å |
| 252 | R | 97.2 | Very high | 95.2 | Very high | 35 Ų | 35 | 25.2 Ų | 25.2 | 13% | 0.132 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62 | -48.1 | 173.3 | -61 | -167 | 66.5 | -174.5 | 0.8 | 111.7 | A58 G59 F193 Y248 Y249 L250 D255 L256 | A58-R252 WeakPolarHBondContact O-CG 3.31Å; G59-R252 PolarHBondContact O-NE 3.41Å; G59-R252 PolarHBondContact O-NH2 2.9Å; F193-R252 HydrophobicContact CD2-CB 3.95Å; F193-R252 HydrophobicContact CE2-CB 4.26Å; F193-R252 HydrophobicContact CG-CB 4.35Å; F193-R252 VanDerWaalsContact CZ-CZ 3.46Å; Y248-R252 HydrophobicContact CE1-CG 4.4Å; Y248-R252 WeakPolarHBondContact O-CG 3.34Å; Y248-R252 PolarHBondContact O-N 3.19Å; Y249-R252 PolarHBondContact O-N 3.25Å; L250-R252 VanDerWaalsContact C-N 3.3Å; L250-R252 PolarHBondContact O-N 3.27Å; R252-D255 PolarHBondContact O-N 3.35Å; R252-L256 WeakPolarHBondContact O-CB 3.48Å; R252-L256 WeakPolarHBondContact O-CD1 3.37Å; R252-L256 VanDerWaalsContact O-CG 3.31Å; R252-L256 WeakPolarHBondContact O-CG 3.39Å; R252-L256 PolarHBondContact O-N 3.4Å; R252-L256 VanDerWaalsContact O-N 3.12Å |
| 253 | A | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F193 Y249 L250 D255 L256 F257 I262 | F193-A253 HydrophobicContact CB-CB 3.93Å; Y249-A253 PolarHBondContact O-N 2.95Å; L250-A253 PolarHBondContact O-N 3.36Å; A253-D255 VanDerWaalsContact C-N 3.32Å; A253-D255 PolarHBondContact O-N 2.89Å; A253-L256 PolarHBondContact O-N 3.21Å; A253-F257 WeakPolarHBondContact O-CD2 3.23Å; A253-F257 PolarHBondContact O-N 3.48Å; A253-I262 HydrophobicContact CB-CD1 3.95Å; A253-I262 HydrophobicContact CB-CG1 4.36Å; A253-I262 HydrophobicContact CB-CG2 4.18Å |
| 254 | L | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63 | -35.7 | 176.3 | -77 | 173.5 | 0 | 0 | 0 | 111.8 | F41 K45 L48 L250 N251 T259 I262 | F41-L254 HydrophobicContact CD1-CD1 3.91Å; F41-L254 HydrophobicContact CD1-CD2 4.15Å; F41-L254 HydrophobicContact CE1-CD1 4.4Å; K45-L254 HydrophobicContact CD-CB 4.37Å; K45-L254 WeakPolarHBondContact CD-O 3.36Å; K45-L254 WeakPolarHBondContact CE-O 3.3Å; K45-L254 PolarHBondContact NZ-O 2.92Å; L48-L254 HydrophobicContact CD1-CB 3.72Å; L250-L254 HydrophobicContact CD1-CD1 4.04Å; L250-L254 HydrophobicContact CD1-CG 4.01Å; L250-L254 HydrophobicContact CG-CD1 3.93Å; L250-L254 HydrophobicContact CG-CG 4.35Å; L250-L254 WeakPolarHBondContact O-CB 3.24Å; L250-L254 WeakPolarHBondContact O-CG 3.32Å; L250-L254 PolarHBondContact O-N 3.04Å; N251-L254 PolarHBondContact O-N 3.24Å; L254-T259 HydrophobicContact CD2-CG2 4.26Å; L254-I262 HydrophobicContact CD2-CB 4.09Å; L254-I262 HydrophobicContact CD2-CG2 3.8Å; L254-I262 HydrophobicContact CG-CG2 4.12Å |
| 255 | D | 96.6 | Very high | 94.4 | Very high | 20 Ų | 20 | 18.4 Ų | 18.4 | 11% | 0.107 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -69.3 | -44.3 | 179.1 | -166.6 | 38.1 | 0 | 0 | 0 | 111.2 | K45 L48 S57 A58 G59 N251 R252 A253 | K45-D255 PolarHBondContact NZ-O 3.04Å; L48-D255 HydrophobicContact CB-CB 4.45Å; L48-D255 HydrophobicContact CD1-CB 4.48Å; S57-D255 WeakPolarHBondContact CB-OD2 3.39Å; S57-D255 PolarHBondContact OG-OD2 3.49Å; A58-D255 HydrophobicContact CB-CB 3.98Å; A58-D255 PolarHBondContact N-OD2 2.95Å; G59-D255 PolarHBondContact N-OD2 2.88Å; N251-D255 WeakPolarHBondContact O-CB 3.46Å; N251-D255 PolarHBondContact O-N 2.76Å; R252-D255 PolarHBondContact O-N 3.35Å; A253-D255 VanDerWaalsContact C-N 3.32Å; A253-D255 PolarHBondContact O-N 2.89Å |
| 256 | L | 94.3 | Very high | 94.2 | Very high | 54 Ų | 54 | 15.8 Ų | 15.8 | 28% | 0.283 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -76 | -32.7 | -173.7 | -68.3 | 164.8 | 0 | 0 | 0 | 114.6 | K187 F193 R252 A253 | K187-L256 HydrophobicContact CB-CD2 4.49Å; K187-L256 HydrophobicContact CG-CD1 4.32Å; K187-L256 HydrophobicContact CG-CD2 4.33Å; F193-L256 HydrophobicContact CD2-CD1 3.86Å; F193-L256 HydrophobicContact CE2-CD1 3.54Å; R252-L256 WeakPolarHBondContact O-CB 3.48Å; R252-L256 WeakPolarHBondContact O-CD1 3.37Å; R252-L256 VanDerWaalsContact O-CG 3.31Å; R252-L256 WeakPolarHBondContact O-CG 3.39Å; R252-L256 PolarHBondContact O-N 3.4Å; R252-L256 VanDerWaalsContact O-N 3.12Å; A253-L256 PolarHBondContact O-N 3.21Å |
| 257 | F | 93 | Very high | 94 | Very high | 23 Ų | 23 | 16.2 Ų | 16.2 | 10% | 0.101 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -124.5 | 164.8 | -170.8 | -55.5 | -76.1 | 0 | 0 | 0 | 112 | K45 K187 P190 A253 I262 | K45-F257 PolarHBondContact NZ-O 3.48Å; K187-F257 WeakPolarHBondContact O-CZ 3.49Å; P190-F257 VanDerWaalsContact CA-CE2 3.46Å; P190-F257 HydrophobicContact CB-CB 4.41Å; P190-F257 HydrophobicContact CB-CD1 3.99Å; P190-F257 HydrophobicContact CB-CD2 3.81Å; P190-F257 HydrophobicContact CB-CE1 4.19Å; P190-F257 HydrophobicContact CB-CE2 4.04Å; P190-F257 HydrophobicContact CB-CG 3.79Å; P190-F257 HydrophobicContact CB-CZ 4.22Å; P190-F257 HydrophobicContact CG-CD1 4.45Å; P190-F257 HydrophobicContact CG-CE1 4.5Å; A253-F257 WeakPolarHBondContact O-CD2 3.23Å; A253-F257 PolarHBondContact O-N 3.48Å; F257-I262 HydrophobicContact CB-CD1 3.7Å; F257-I262 HydrophobicContact CB-CG1 3.74Å; F257-I262 HydrophobicContact CD2-CD1 3.96Å; F257-I262 HydrophobicContact CG-CD1 4.14Å |
| 258 | S | 91.7 | Very high | 93.7 | Very high | 33 Ų | 33 | 16.4 Ų | 16.4 | 23% | 0.231 | 8% | 0.079 | C | C | . | . | trans | -67.7 | 142.9 | 176.5 | 59.7 | 0 | 0 | 0 | 0 | 111 | G260 I261 I262 | S258-G260 PolarHBondContact O-N 3.31Å; S258-I261 PolarHBondContact O-N 2.91Å; S258-I261 WeakPolarHBondContact OG-CD1 3.44Å; S258-I261 WeakPolarHBondContact OG-CG1 3.45Å; S258-I262 PolarHBondContact O-N 2.75Å; S258-I262 VanDerWaalsContact O-N 3.1Å | ||
| 259 | T | 92.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.2 | -39 | 179.3 | -43.9 | 0 | 0 | 0 | 0 | 110.6 | F41 E118 L254 I261 I262 T263 | F41-T259 HydrophobicContact CB-CG2 4.18Å; E118-T259 WeakPolarHBondContact OE2-CA 3.45Å; E118-T259 WeakPolarHBondContact OE2-CB 3.45Å; E118-T259 PolarHBondContact OE2-N 2.9Å; E118-T259 PolarHBondContact OE2-OG1 3.05Å; L254-T259 HydrophobicContact CD2-CG2 4.26Å; T259-I261 PolarHBondContact O-N 3.44Å; T259-I262 PolarHBondContact O-N 3.26Å; T259-T263 HydrophobicContact CG2-CG2 3.73Å; T259-T263 WeakPolarHBondContact O-CG2 3.25Å; T259-T263 PolarHBondContact O-N 2.91Å; T259-T263 PolarHBondContact O-OG1 3.49Å; T259-T263 VanDerWaalsContact O-OG1 3.11Å |
| 260 | G | 87.4 | Confident | 93.2 | Very high | 2 Ų | 2 | 17 Ų | 17 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.8 | -17.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | S258 P264 | S258-G260 PolarHBondContact O-N 3.31Å; G260-P264 VanDerWaalsContact O-CD 3.27Å; G260-P264 WeakPolarHBondContact O-CD 3.27Å; G260-P264 VanDerWaalsContact O-CG 3.31Å; G260-P264 WeakPolarHBondContact O-CG 3.42Å |
| 261 | I | 88.8 | Confident | 92.8 | Very high | 20 Ų | 20 | 17.4 Ų | 17.4 | 10% | 0.103 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -96.5 | -41 | 173.5 | -67.6 | 174.8 | 0 | 0 | 0 | 110.4 | P190 S258 T259 P264 L265 I310 K314 | P190-I261 HydrophobicContact CB-CG2 4.16Å; P190-I261 HydrophobicContact CG-CG2 4.1Å; S258-I261 PolarHBondContact O-N 2.91Å; S258-I261 WeakPolarHBondContact OG-CD1 3.44Å; S258-I261 WeakPolarHBondContact OG-CG1 3.45Å; T259-I261 PolarHBondContact O-N 3.44Å; I261-P264 WeakPolarHBondContact O-CD 3.19Å; I261-L265 HydrophobicContact CG2-CD1 3.75Å; I261-L265 WeakPolarHBondContact O-CB 3.49Å; I261-L265 VanDerWaalsContact O-CG 3.25Å; I261-L265 WeakPolarHBondContact O-CG 3.43Å; I261-L265 PolarHBondContact O-N 2.74Å; I261-I310 HydrophobicContact CB-CG2 4.21Å; I261-I310 HydrophobicContact CG1-CG2 4.12Å; I261-I310 HydrophobicContact CG2-CG2 3.89Å; I261-K314 HydrophobicContact CD1-CB 4.24Å; I261-K314 HydrophobicContact CD1-CD 3.77Å |
| 262 | I | 92.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -71 | -41.5 | -175.5 | -63.9 | -52.7 | 0 | 0 | 0 | 112.2 | P190 L250 A253 L254 F257 S258 T259 L265 L266 | P190-I262 HydrophobicContact CB-CD1 3.73Å; L250-I262 HydrophobicContact CD1-CG2 4.08Å; A253-I262 HydrophobicContact CB-CD1 3.95Å; A253-I262 HydrophobicContact CB-CG1 4.36Å; A253-I262 HydrophobicContact CB-CG2 4.18Å; L254-I262 HydrophobicContact CD2-CB 4.09Å; L254-I262 HydrophobicContact CD2-CG2 3.8Å; L254-I262 HydrophobicContact CG-CG2 4.12Å; F257-I262 HydrophobicContact CB-CD1 3.7Å; F257-I262 HydrophobicContact CB-CG1 3.74Å; F257-I262 HydrophobicContact CD2-CD1 3.96Å; F257-I262 HydrophobicContact CG-CD1 4.14Å; S258-I262 PolarHBondContact O-N 2.75Å; S258-I262 VanDerWaalsContact O-N 3.1Å; T259-I262 PolarHBondContact O-N 3.26Å; I262-L265 PolarHBondContact O-N 3.33Å; I262-L266 WeakPolarHBondContact O-CB 3.31Å; I262-L266 PolarHBondContact O-N 3.11Å |
| 263 | T | 92.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | -175.3 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | F41 S108 T259 Y267 | F41-T263 HydrophobicContact CB-CG2 4.2Å; F41-T263 HydrophobicContact CD1-CG2 3.63Å; F41-T263 HydrophobicContact CD2-CG2 4.12Å; F41-T263 HydrophobicContact CE1-CG2 3.97Å; F41-T263 HydrophobicContact CE2-CG2 4.44Å; F41-T263 HydrophobicContact CG-CG2 3.71Å; F41-T263 HydrophobicContact CZ-CG2 4.38Å; S108-T263 VanDerWaalsContact OG-CB 3.25Å; S108-T263 WeakPolarHBondContact OG-CB 3.34Å; S108-T263 WeakPolarHBondContact OG-CG2 3.19Å; S108-T263 PolarHBondContact OG-OG1 3.29Å; T259-T263 HydrophobicContact CG2-CG2 3.73Å; T259-T263 WeakPolarHBondContact O-CG2 3.25Å; T259-T263 PolarHBondContact O-N 2.91Å; T259-T263 PolarHBondContact O-OG1 3.49Å; T259-T263 VanDerWaalsContact O-OG1 3.11Å; T263-Y267 WeakPolarHBondContact O-CB 3.3Å; T263-Y267 PolarHBondContact O-N 3.06Å |
| 264 | P | 89.7 | Confident | 92 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.9 | -41.5 | 174.4 | -18 | 32.8 | 0 | 0 | 0 | 112.6 | V105 C128 G260 I261 L266 Y267 V268 I310 | V105-P264 HydrophobicContact CG1-CB 3.92Å; V105-P264 HydrophobicContact CG1-CG 3.63Å; C128-P264 HydrophobicContact CB-CB 4.5Å; C128-P264 HydrophobicContact CB-CG 4.08Å; C128-P264 VanDerWaalsContact SG-CG 3.52Å; G260-P264 VanDerWaalsContact O-CD 3.27Å; G260-P264 WeakPolarHBondContact O-CD 3.27Å; G260-P264 VanDerWaalsContact O-CG 3.31Å; G260-P264 WeakPolarHBondContact O-CG 3.42Å; I261-P264 WeakPolarHBondContact O-CD 3.19Å; P264-L266 PolarHBondContact O-N 2.81Å; P264-Y267 PolarHBondContact O-N 2.98Å; P264-V268 WeakPolarHBondContact O-CG2 3.43Å; P264-V268 PolarHBondContact O-N 2.94Å; P264-I310 HydrophobicContact CB-CD1 3.7Å; P264-I310 HydrophobicContact CG-CD1 4.22Å |
| 265 | L | 91.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 177.1 | -74.8 | 177.6 | 0 | 0 | 0 | 111.5 | P190 T194 I261 I262 Y267 V268 F269 I307 I310 T311 | P190-L265 HydrophobicContact CB-CD1 4.03Å; P190-L265 HydrophobicContact CG-CD1 4.11Å; T194-L265 HydrophobicContact CG2-CB 3.83Å; I261-L265 HydrophobicContact CG2-CD1 3.75Å; I261-L265 WeakPolarHBondContact O-CB 3.49Å; I261-L265 VanDerWaalsContact O-CG 3.25Å; I261-L265 WeakPolarHBondContact O-CG 3.43Å; I261-L265 PolarHBondContact O-N 2.74Å; I262-L265 PolarHBondContact O-N 3.33Å; L265-Y267 VanDerWaalsContact C-N 3.34Å; L265-V268 PolarHBondContact O-N 3.23Å; L265-F269 HydrophobicContact CB-CE2 4.33Å; L265-F269 HydrophobicContact CD2-CE2 4.19Å; L265-F269 HydrophobicContact CD2-CZ 4.49Å; L265-F269 WeakPolarHBondContact O-CD2 3.19Å; L265-F269 PolarHBondContact O-N 3.17Å; L265-I307 HydrophobicContact CD2-CB 4.4Å; L265-I307 HydrophobicContact CD2-CG1 3.98Å; L265-I307 HydrophobicContact CD2-CG2 3.91Å; L265-I310 HydrophobicContact CG-CG2 4.49Å; L265-T311 HydrophobicContact CD1-CG2 4.06Å; L265-T311 HydrophobicContact CD2-CG2 4.03Å |
| 266 | L | 94.3 | Very high | 91.4 | Very high | 19 Ų | 19 | 23.7 Ų | 23.7 | 10% | 0.099 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.2 | -48.1 | 177.4 | -178.5 | 70.8 | 0 | 0 | 0 | 110 | F41 T194 S197 L250 I262 P264 V268 F269 F270 | F41-L266 HydrophobicContact CE1-CD2 3.91Å; F41-L266 HydrophobicContact CZ-CD2 3.78Å; T194-L266 HydrophobicContact CG2-CB 3.8Å; T194-L266 HydrophobicContact CG2-CD1 4.16Å; T194-L266 VanDerWaalsContact CG2-N 3.29Å; S197-L266 WeakPolarHBondContact OG-CD1 3.39Å; L250-L266 HydrophobicContact CD1-CD1 4.38Å; L250-L266 HydrophobicContact CD1-CD2 3.64Å; L250-L266 HydrophobicContact CD2-CD2 4.1Å; I262-L266 WeakPolarHBondContact O-CB 3.31Å; I262-L266 PolarHBondContact O-N 3.11Å; P264-L266 PolarHBondContact O-N 2.81Å; L266-V268 PolarHBondContact O-N 2.67Å; L266-F269 PolarHBondContact O-N 3.1Å; L266-F270 WeakPolarHBondContact O-CB 3.49Å; L266-F270 PolarHBondContact O-N 3.37Å |
| 267 | Y | 91.3 | Very high | 91.3 | Very high | 32 Ų | 32 | 21.1 Ų | 21.1 | 13% | 0.125 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.8 | -45.6 | -179.8 | -176.3 | -106.3 | 0 | 0 | 0 | 112.2 | A102 V105 S135 T263 P264 L265 T271 | A102-Y267 VanDerWaalsContact CA-CZ 3.48Å; A102-Y267 WeakPolarHBondContact CA-OH 3.41Å; A102-Y267 HydrophobicContact CB-CE1 3.62Å; A102-Y267 HydrophobicContact CB-CE2 4.32Å; A102-Y267 VanDerWaalsContact CB-CZ 3.47Å; A102-Y267 WeakPolarHBondContact CB-OH 3.28Å; V105-Y267 VanDerWaalsContact CG2-CB 3.47Å; V105-Y267 HydrophobicContact CG2-CD1 4.03Å; V105-Y267 HydrophobicContact CG2-CD2 3.89Å; V105-Y267 HydrophobicContact CG2-CG 3.52Å; S135-Y267 WeakPolarHBondContact OG-CE1 3.35Å; T263-Y267 WeakPolarHBondContact O-CB 3.3Å; T263-Y267 PolarHBondContact O-N 3.06Å; P264-Y267 PolarHBondContact O-N 2.98Å; L265-Y267 VanDerWaalsContact C-N 3.34Å; Y267-T271 WeakPolarHBondContact O-CB 3.4Å; Y267-T271 PolarHBondContact O-N 2.92Å; Y267-T271 PolarHBondContact O-OG1 3.34Å |
| 268 | V | 90 | Very high | 91.1 | Very high | 14 Ų | 14 | 20.5 Ų | 20.5 | 9% | 0.085 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.5 | -49.4 | -179.9 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | C131 P264 L265 L266 G272 T303 I307 | C131-V268 HydrophobicContact CB-CG2 3.79Å; P264-V268 WeakPolarHBondContact O-CG2 3.43Å; P264-V268 PolarHBondContact O-N 2.94Å; L265-V268 PolarHBondContact O-N 3.23Å; L266-V268 PolarHBondContact O-N 2.67Å; V268-G272 PolarHBondContact O-N 2.68Å; V268-T303 HydrophobicContact CG1-CG2 4Å; V268-T303 HydrophobicContact CG2-CG2 4.29Å; V268-I307 HydrophobicContact CB-CD1 4.45Å; V268-I307 HydrophobicContact CG1-CD1 3.74Å; V268-I307 HydrophobicContact CG1-CG1 4.41Å |
| 269 | F | 92 | Very high | 90.9 | Very high | 35 Ų | 35 | 19.6 Ų | 19.6 | 15% | 0.154 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.1 | -47.8 | 179.9 | -67.4 | -44.5 | 0 | 0 | 0 | 111.5 | I191 T194 L195 L265 L266 T271 G272 F273 I307 | I191-F269 HydrophobicContact CG1-CE2 4.48Å; I191-F269 HydrophobicContact CG1-CZ 4.48Å; I191-F269 HydrophobicContact CG2-CE2 3.97Å; I191-F269 HydrophobicContact CG2-CZ 3.88Å; T194-F269 HydrophobicContact CG2-CD2 4.06Å; L195-F269 HydrophobicContact CD1-CB 4.18Å; L195-F269 HydrophobicContact CD1-CD1 3.57Å; L195-F269 HydrophobicContact CD1-CD2 4Å; L195-F269 HydrophobicContact CD1-CE1 3.88Å; L195-F269 HydrophobicContact CD1-CE2 4.28Å; L195-F269 HydrophobicContact CD1-CG 3.65Å; L195-F269 HydrophobicContact CD1-CZ 4.23Å; L265-F269 HydrophobicContact CB-CE2 4.33Å; L265-F269 HydrophobicContact CD2-CE2 4.19Å; L265-F269 HydrophobicContact CD2-CZ 4.49Å; L265-F269 WeakPolarHBondContact O-CD2 3.19Å; L265-F269 PolarHBondContact O-N 3.17Å; L266-F269 PolarHBondContact O-N 3.1Å; F269-T271 PolarHBondContact O-N 3.42Å; F269-G272 PolarHBondContact O-N 2.94Å; F269-F273 WeakPolarHBondContact O-CD2 3.26Å; F269-F273 PolarHBondContact O-N 3.39Å; F269-I307 HydrophobicContact CE1-CD1 4.12Å; F269-I307 HydrophobicContact CZ-CD1 4.34Å |
| 270 | F | 93 | Very high | 90.8 | Very high | 57 Ų | 57 | 21.1 Ų | 21.1 | 25% | 0.25 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.1 | -52.1 | 177.6 | 179.7 | -94.4 | 0 | 0 | 0 | 111.4 | G201 V205 L266 G272 F273 V274 | G201-F270 VanDerWaalsContact C-CE2 3.48Å; V205-F270 HydrophobicContact CG2-CE1 4.11Å; V205-F270 HydrophobicContact CG2-CE2 3.94Å; V205-F270 HydrophobicContact CG2-CZ 3.3Å; L266-F270 WeakPolarHBondContact O-CB 3.49Å; L266-F270 PolarHBondContact O-N 3.37Å; F270-G272 PolarHBondContact O-N 3.3Å; F270-F273 PolarHBondContact O-N 2.99Å; F270-V274 HydrophobicContact CD1-CG2 4.09Å; F270-V274 HydrophobicContact CE1-CG2 3.89Å; F270-V274 HydrophobicContact CE2-CG2 4.42Å; F270-V274 HydrophobicContact CG-CG2 4.46Å; F270-V274 HydrophobicContact CZ-CG2 4.09Å; F270-V274 WeakPolarHBondContact O-CB 3.47Å; F270-V274 WeakPolarHBondContact O-CG2 3.3Å; F270-V274 PolarHBondContact O-N 2.68Å |
| 271 | T | 89.5 | Confident | 90.9 | Very high | 16 Ų | 16 | 21 Ų | 21 | 10% | 0.098 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.5 | -44.3 | -179.5 | -56 | 0 | 0 | 0 | 0 | 111.5 | V139 Y267 F269 F273 V274 I275 | V139-T271 HydrophobicContact CG2-CG2 3.64Å; Y267-T271 WeakPolarHBondContact O-CB 3.4Å; Y267-T271 PolarHBondContact O-N 2.92Å; Y267-T271 PolarHBondContact O-OG1 3.34Å; F269-T271 PolarHBondContact O-N 3.42Å; T271-F273 PolarHBondContact O-N 2.89Å; T271-V274 PolarHBondContact O-N 2.93Å; T271-I275 HydrophobicContact CG2-CD1 3.87Å; T271-I275 HydrophobicContact CG2-CG1 4.43Å; T271-I275 VanDerWaalsContact O-CG1 3.31Å; T271-I275 WeakPolarHBondContact O-CG1 3.38Å; T271-I275 PolarHBondContact O-N 2.86Å |
| 272 | G | 89.6 | Confident | 90.7 | Very high | 25 Ų | 25 | 20.1 Ų | 20.1 | 26% | 0.258 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -59.1 | -48.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V268 F269 F270 I275 I276 | V268-G272 PolarHBondContact O-N 2.68Å; F269-G272 PolarHBondContact O-N 2.94Å; F270-G272 PolarHBondContact O-N 3.3Å; G272-I275 PolarHBondContact O-N 2.95Å; G272-I276 VanDerWaalsContact O-CG1 3.3Å; G272-I276 WeakPolarHBondContact O-CG1 3.37Å; G272-I276 PolarHBondContact O-N 2.95Å; G272-I276 VanDerWaalsContact O-N 3.09Å |
| 273 | F | 93.9 | Very high | 90 | Very high | 27 Ų | 27 | 24.6 Ų | 24.6 | 12% | 0.118 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.4 | -38.4 | 177.2 | -82.7 | -74.2 | 0 | 0 | 0 | 112.7 | Y166 F169 V170 L173 L195 S202 F269 F270 T271 I276 A277 | Y166-F273 HydrophobicContact CE2-CD1 4.44Å; Y166-F273 PolarHBondContact OH-O 2.96Å; F169-F273 HydrophobicContact CE1-CE1 4.35Å; V170-F273 HydrophobicContact CG2-CD1 4.15Å; V170-F273 HydrophobicContact CG2-CE1 4.25Å; L173-F273 HydrophobicContact CD2-CE1 4.13Å; L173-F273 HydrophobicContact CD2-CZ 3.66Å; L195-F273 HydrophobicContact CD1-CE2 3.68Å; L195-F273 HydrophobicContact CD1-CZ 4.35Å; L195-F273 HydrophobicContact CG-CE2 4.45Å; S202-F273 VanDerWaalsContact CB-C 3.42Å; F269-F273 WeakPolarHBondContact O-CD2 3.26Å; F269-F273 PolarHBondContact O-N 3.39Å; F270-F273 PolarHBondContact O-N 2.99Å; T271-F273 PolarHBondContact O-N 2.89Å; F273-I276 PolarHBondContact O-N 2.86Å; F273-A277 WeakPolarHBondContact O-CB 3.4Å; F273-A277 PolarHBondContact O-N 3.15Å |
| 274 | V | 92 | Very high | 88.9 | Confident | 24 Ų | 24 | 25 Ų | 25 | 15% | 0.145 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 175.2 | 167.4 | 0 | 0 | 0 | 0 | 110.8 | V205 F270 T271 I276 A277 S278 | V205-V274 HydrophobicContact CB-CG2 4.09Å; V205-V274 HydrophobicContact CG1-CG1 4.12Å; V205-V274 HydrophobicContact CG1-CG2 4.35Å; V205-V274 HydrophobicContact CG2-CG2 3.91Å; F270-V274 HydrophobicContact CD1-CG2 4.09Å; F270-V274 HydrophobicContact CE1-CG2 3.89Å; F270-V274 HydrophobicContact CE2-CG2 4.42Å; F270-V274 HydrophobicContact CG-CG2 4.46Å; F270-V274 HydrophobicContact CZ-CG2 4.09Å; F270-V274 WeakPolarHBondContact O-CB 3.47Å; F270-V274 WeakPolarHBondContact O-CG2 3.3Å; F270-V274 PolarHBondContact O-N 2.68Å; T271-V274 PolarHBondContact O-N 2.93Å; V274-I276 PolarHBondContact O-N 3.11Å; V274-A277 WeakPolarHBondContact O-CB 3.29Å; V274-A277 PolarHBondContact O-N 3.44Å; V274-S278 PolarHBondContact O-N 3.29Å; V274-S278 PolarHBondContact O-OG 2.92Å |
| 275 | I | 88.7 | Confident | 87.6 | Confident | 26 Ų | 26 | 29.4 Ų | 29.4 | 13% | 0.133 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 179.9 | -68.9 | 173.1 | 0 | 0 | 0 | 110.8 | I138 V139 A142 T271 G272 A277 T279 | I138-I275 HydrophobicContact CB-CD1 4.26Å; I138-I275 HydrophobicContact CG2-CD1 3.46Å; I138-I275 VanDerWaalsContact CG2-CD1 3.46Å; V139-I275 HydrophobicContact CG2-CD1 3.94Å; A142-I275 HydrophobicContact CB-CD1 4.39Å; A142-I275 HydrophobicContact CB-CG2 4.2Å; T271-I275 HydrophobicContact CG2-CD1 3.87Å; T271-I275 HydrophobicContact CG2-CG1 4.43Å; T271-I275 VanDerWaalsContact O-CG1 3.31Å; T271-I275 WeakPolarHBondContact O-CG1 3.38Å; T271-I275 PolarHBondContact O-N 2.86Å; G272-I275 PolarHBondContact O-N 2.95Å; I275-A277 VanDerWaalsContact C-N 3.34Å; I275-A277 PolarHBondContact O-N 3.14Å; I275-T279 WeakPolarHBondContact O-CB 3.49Å; I275-T279 PolarHBondContact O-N 3.26Å; I275-T279 PolarHBondContact O-OG1 2.87Å |
| 276 | I | 90.7 | Very high | 86.2 | Confident | 86 Ų | 86 | 37.1 Ų | 37.1 | 44% | 0.441 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.1 | -62.7 | 165.8 | 0 | 0 | 0 | 110.1 | Y166 G272 F273 V274 T279 V280 | Y166-I276 HydrophobicContact CD2-CG2 3.68Å; Y166-I276 HydrophobicContact CE2-CB 4.02Å; Y166-I276 HydrophobicContact CE2-CG2 3.44Å; Y166-I276 VanDerWaalsContact CE2-CG2 3.44Å; G272-I276 VanDerWaalsContact O-CG1 3.3Å; G272-I276 WeakPolarHBondContact O-CG1 3.37Å; G272-I276 PolarHBondContact O-N 2.95Å; G272-I276 VanDerWaalsContact O-N 3.09Å; F273-I276 PolarHBondContact O-N 2.86Å; V274-I276 PolarHBondContact O-N 3.11Å; I276-T279 PolarHBondContact O-N 2.84Å; I276-V280 HydrophobicContact CG2-CG2 4.25Å; I276-V280 WeakPolarHBondContact O-CB 3.48Å; I276-V280 VanDerWaalsContact O-CG2 3.24Å; I276-V280 WeakPolarHBondContact O-CG2 3.28Å; I276-V280 PolarHBondContact O-N 3.13Å |
| 277 | A | 92.3 | Very high | 85 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59 | -51.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y166 V206 F273 V274 I275 V280 L281 | Y166-A277 HydrophobicContact CD1-CB 4.37Å; Y166-A277 HydrophobicContact CE1-CB 3.46Å; Y166-A277 VanDerWaalsContact CE1-CB 3.46Å; Y166-A277 WeakPolarHBondContact OH-CB 3.36Å; V206-A277 HydrophobicContact CG2-CB 3.66Å; F273-A277 WeakPolarHBondContact O-CB 3.4Å; F273-A277 PolarHBondContact O-N 3.15Å; V274-A277 WeakPolarHBondContact O-CB 3.29Å; V274-A277 PolarHBondContact O-N 3.44Å; I275-A277 VanDerWaalsContact C-N 3.34Å; I275-A277 PolarHBondContact O-N 3.14Å; A277-V280 PolarHBondContact O-N 2.87Å; A277-L281 VanDerWaalsContact O-CB 3.24Å; A277-L281 WeakPolarHBondContact O-CB 3.32Å; A277-L281 PolarHBondContact O-N 3.23Å |
| 278 | S | 89.1 | Confident | 84.3 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 8% | 0.077 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 178.3 | -72.6 | 0 | 0 | 0 | 0 | 111.2 | E145 V274 V280 L281 F282 | E145-S278 VanDerWaalsContact OE1-CB 3.22Å; E145-S278 WeakPolarHBondContact OE1-CB 3.44Å; E145-S278 PolarHBondContact OE1-OG 2.89Å; V274-S278 PolarHBondContact O-N 3.29Å; V274-S278 PolarHBondContact O-OG 2.92Å; S278-V280 VanDerWaalsContact C-N 3.34Å; S278-V280 PolarHBondContact O-N 3.45Å; S278-L281 PolarHBondContact O-N 3.25Å; S278-F282 WeakPolarHBondContact O-CD2 3.46Å; S278-F282 PolarHBondContact O-N 2.93Å |
| 279 | T | 87.3 | Confident | 84 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 8% | 0.08 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -43.1 | -178.4 | -60.8 | 0 | 0 | 0 | 0 | 112 | P143 I275 I276 H283 E284 L285 | P143-T279 HydrophobicContact CG-CG2 4.14Å; P143-T279 WeakPolarHBondContact CG-OG1 3.46Å; I275-T279 WeakPolarHBondContact O-CB 3.49Å; I275-T279 PolarHBondContact O-N 3.26Å; I275-T279 PolarHBondContact O-OG1 2.87Å; I276-T279 PolarHBondContact O-N 2.84Å; T279-H283 PolarHBondContact O-N 3.02Å; T279-E284 PolarHBondContact O-N 3.38Å; T279-L285 HydrophobicContact CG2-CD1 4.23Å; T279-L285 HydrophobicContact CG2-CD2 3.32Å; T279-L285 HydrophobicContact CG2-CG 3.43Å; T279-L285 VanDerWaalsContact CG2-CG 3.43Å |
| 280 | V | 90.4 | Very high | 83.8 | Confident | 33 Ų | 33 | 51 Ų | 51 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 111 | S162 F163 I276 A277 S278 F282 H283 | S162-V280 VanDerWaalsContact O-CG1 3.32Å; S162-V280 WeakPolarHBondContact O-CG1 3.46Å; F163-V280 HydrophobicContact CB-CG1 4.18Å; F163-V280 HydrophobicContact CD2-CG1 4.31Å; I276-V280 HydrophobicContact CG2-CG2 4.25Å; I276-V280 WeakPolarHBondContact O-CB 3.48Å; I276-V280 VanDerWaalsContact O-CG2 3.24Å; I276-V280 WeakPolarHBondContact O-CG2 3.28Å; I276-V280 PolarHBondContact O-N 3.13Å; A277-V280 PolarHBondContact O-N 2.87Å; S278-V280 VanDerWaalsContact C-N 3.34Å; S278-V280 PolarHBondContact O-N 3.45Å; V280-F282 PolarHBondContact O-N 3.42Å; V280-H283 PolarHBondContact O-ND1 3.21Å |
| 281 | L | 89.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | -179.6 | -174.7 | 67.6 | 0 | 0 | 0 | 112.4 | M154 R157 F163 V206 A277 S278 | M154-L281 HydrophobicContact CE-CD2 4.39Å; M154-L281 HydrophobicContact SD-CD2 4.09Å; R157-L281 HydrophobicContact CB-CD1 3.84Å; R157-L281 HydrophobicContact CB-CG 4.34Å; F163-L281 HydrophobicContact CB-CD1 4.38Å; F163-L281 HydrophobicContact CD1-CD1 4.05Å; F163-L281 HydrophobicContact CD2-CB 3.73Å; F163-L281 HydrophobicContact CD2-CD1 3.7Å; F163-L281 HydrophobicContact CD2-CG 4.29Å; F163-L281 HydrophobicContact CE1-CD1 4.28Å; F163-L281 HydrophobicContact CE2-CB 3.99Å; F163-L281 HydrophobicContact CE2-CD1 3.97Å; F163-L281 HydrophobicContact CE2-CG 4.41Å; F163-L281 HydrophobicContact CG-CD1 3.75Å; F163-L281 HydrophobicContact CZ-CD1 4.26Å; V206-L281 HydrophobicContact CG1-CD2 3.61Å; A277-L281 VanDerWaalsContact O-CB 3.24Å; A277-L281 WeakPolarHBondContact O-CB 3.32Å; A277-L281 PolarHBondContact O-N 3.23Å; S278-L281 PolarHBondContact O-N 3.25Å |
| 282 | F | 84.7 | Confident | 83.5 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -93.3 | -6.5 | -176.5 | -60.9 | -62.9 | 0 | 0 | 0 | 114.3 | E145 Q146 L148 K209 S278 V280 E284 | E145-F282 HydrophobicContact CB-CD2 4.15Å; E145-F282 HydrophobicContact CB-CE2 4.24Å; E145-F282 HydrophobicContact CG-CD2 4.23Å; E145-F282 HydrophobicContact CG-CE2 4.31Å; Q146-F282 HydrophobicContact CB-CD1 4.22Å; L148-F282 HydrophobicContact CD1-CE1 3.64Å; L148-F282 HydrophobicContact CD1-CZ 4.26Å; L148-F282 HydrophobicContact CD2-CE1 4.11Å; L148-F282 HydrophobicContact CG-CE1 3.69Å; K209-F282 HydrophobicContact CD-CE2 4.21Å; K209-F282 HydrophobicContact CD-CZ 3.91Å; S278-F282 WeakPolarHBondContact O-CD2 3.46Å; S278-F282 PolarHBondContact O-N 2.93Å; V280-F282 PolarHBondContact O-N 3.42Å; F282-E284 VanDerWaalsContact C-N 3.31Å; F282-E284 HydrophobicContact CB-CG 3.8Å; F282-E284 WeakPolarHBondContact CB-OE1 3.46Å; F282-E284 PolarHBondContact O-N 3.41Å |
| 283 | H | 77.2 | Confident | 83.4 | Confident | 93 Ų | 93 | 59.3 Ų | 59.3 | 43% | 0.431 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 35.9 | -179 | -65.9 | 78.3 | 0 | 0 | 0 | 114.4 | D160 S162 T279 V280 | D160-H283 IonicContact OD2-CE1 2.6Å; D160-H283 PolarHBondContact OD2-CE1 2.94Å; D160-H283 IonicContact OD2-ND1 3.63Å; S162-H283 PolarHBondContact OG-CE1 3.38Å; S162-H283 PolarHBondContact OG-NE2 3.42Å; T279-H283 PolarHBondContact O-N 3.02Å; V280-H283 PolarHBondContact O-ND1 3.21Å |
| 284 | E | 70.6 | Confident | 83.3 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -94.5 | 7.1 | -167.8 | -70.8 | 175.4 | -177 | 0 | 0 | 115.7 | P143 K144 E145 Q146 T279 F282 N286 A287 | P143-E284 HydrophobicContact CB-CB 3.61Å; P143-E284 HydrophobicContact CG-CB 4.22Å; K144-E284 VanDerWaalsContact O-CD 3.22Å; K144-E284 VanDerWaalsContact O-OE1 3.12Å; E145-E284 WeakPolarHBondContact CA-OE1 3.45Å; E145-E284 WeakPolarHBondContact CA-OE2 3.34Å; E145-E284 PolarHBondContact N-OE2 3.4Å; Q146-E284 VanDerWaalsContact CG-OE1 3.29Å; Q146-E284 WeakPolarHBondContact CG-OE1 2.96Å; Q146-E284 PolarHBondContact N-OE1 2.88Å; T279-E284 PolarHBondContact O-N 3.38Å; F282-E284 VanDerWaalsContact C-N 3.31Å; F282-E284 HydrophobicContact CB-CG 3.8Å; F282-E284 WeakPolarHBondContact CB-OE1 3.46Å; F282-E284 PolarHBondContact O-N 3.41Å; E284-N286 PolarHBondContact O-N 3.27Å; E284-N286 VanDerWaalsContact O-N 3.12Å; E284-A287 PolarHBondContact O-N 3.44Å |
| 285 | L | 61.8 | Low | 83.3 | Confident | 94 Ų | 94 | 59 Ų | 59 | 49% | 0.492 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -56.9 | -33.5 | -179.9 | -73 | 174 | 0 | 0 | 0 | 113 | T279 A287 L288 Y293 | T279-L285 HydrophobicContact CG2-CD1 4.23Å; T279-L285 HydrophobicContact CG2-CD2 3.32Å; T279-L285 HydrophobicContact CG2-CG 3.43Å; T279-L285 VanDerWaalsContact CG2-CG 3.43Å; L285-A287 PolarHBondContact O-N 3.36Å; L285-L288 HydrophobicContact CD2-CD1 4.44Å; L285-Y293 PolarHBondContact O-OH 3.43Å |
| 286 | N | 61.9 | Low | 83.3 | Confident | 161 Ų | 161 | 59.6 Ų | 59.6 | 86% | 0.861 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -76.4 | -6.6 | -176.6 | -62.6 | -15.8 | 0 | 0 | 0 | 113.7 | E284 | E284-N286 PolarHBondContact O-N 3.27Å; E284-N286 VanDerWaalsContact O-N 3.12Å |
| 287 | A | 68.6 | Low | 83.3 | Confident | 84 Ų | 84 | 60.4 Ų | 60.4 | 69% | 0.694 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -98 | -0.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E284 L285 | E284-A287 PolarHBondContact O-N 3.44Å; L285-A287 PolarHBondContact O-N 3.36Å |
| 288 | L | 77.1 | Confident | 83.4 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | trans | -79.3 | 135.5 | -176.9 | -68.4 | 175.9 | 0 | 0 | 0 | 111.7 | P143 L285 D292 Y293 L296 | P143-L288 HydrophobicContact CB-CD2 3.82Å; P143-L288 HydrophobicContact CB-CG 4.36Å; P143-L288 HydrophobicContact CG-CD2 4.41Å; L285-L288 HydrophobicContact CD2-CD1 4.44Å; L288-D292 HydrophobicContact CB-CB 4.19Å; L288-D292 HydrophobicContact CD2-CB 3.88Å; L288-Y293 HydrophobicContact CB-CD2 4.09Å; L288-Y293 HydrophobicContact CB-CE1 4.48Å; L288-Y293 HydrophobicContact CB-CE2 3.54Å; L288-Y293 HydrophobicContact CD1-CE1 4.13Å; L288-Y293 WeakPolarHBondContact O-CE2 3.49Å; L288-L296 HydrophobicContact CD1-CD1 3.87Å | ||
| 289 | D | 84.7 | Confident | 83.5 | Confident | 113 Ų | 113 | 65.1 Ų | 65.1 | 60% | 0.604 | 33% | 0.333 | S | S | * | . | trans | -79.4 | 162.2 | 175 | -141.9 | -16.5 | 0 | 0 | 0 | 110.3 | M291 D292 Y293 | D289-M291 PolarHBondContact O-N 3.44Å; D289-M291 VanDerWaalsContact O-N 3.15Å; D289-D292 PolarHBondContact N-OD2 2.91Å; D289-D292 VanDerWaalsContact N-OD2 3.07Å; D289-D292 WeakPolarHBondContact O-CB 3.42Å; D289-D292 PolarHBondContact O-N 3.13Å; D289-Y293 WeakPolarHBondContact O-CD2 3.47Å; D289-Y293 PolarHBondContact O-N 3.05Å | ||
| 290 | Y | 87.2 | Confident | 83.7 | Confident | 175 Ų | 175 | 69.5 Ų | 69.5 | 69% | 0.686 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -55.7 | -37.7 | -178.9 | 174.7 | -99.7 | 0 | 0 | 0 | 112.4 | D292 Y293 V294 | Y290-D292 VanDerWaalsContact C-N 3.29Å; Y290-D292 PolarHBondContact O-N 3.4Å; Y290-Y293 PolarHBondContact O-N 3.3Å; Y290-V294 HydrophobicContact CD1-CG2 4.28Å; Y290-V294 HydrophobicContact CE1-CG2 3.77Å; Y290-V294 HydrophobicContact CE2-CG2 4.35Å; Y290-V294 WeakPolarHBondContact O-CG2 3.37Å; Y290-V294 PolarHBondContact O-N 2.86Å |
| 291 | M | 87.9 | Confident | 83.9 | Confident | 128 Ų | 128 | 71.8 Ų | 71.8 | 63% | 0.631 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.8 | -31.8 | 178.1 | -64.3 | -59 | -71 | 0 | 0 | 112.5 | D289 V294 G295 | D289-M291 PolarHBondContact O-N 3.44Å; D289-M291 VanDerWaalsContact O-N 3.15Å; M291-V294 PolarHBondContact O-N 3.46Å; M291-G295 PolarHBondContact O-N 2.93Å |
| 292 | D | 88.3 | Confident | 84.1 | Confident | 46 Ų | 46 | 75 Ų | 75 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 178.4 | -62 | -37.9 | 0 | 0 | 0 | 111 | H141 L288 D289 Y290 V294 G295 L296 | H141-D292 HydrophobicContact CB-CB 4.19Å; H141-D292 WeakPolarHBondContact CB-O 3.35Å; H141-D292 IonicContact CD2-OD1 3.7Å; L288-D292 HydrophobicContact CB-CB 4.19Å; L288-D292 HydrophobicContact CD2-CB 3.88Å; D289-D292 PolarHBondContact N-OD2 2.91Å; D289-D292 VanDerWaalsContact N-OD2 3.07Å; D289-D292 WeakPolarHBondContact O-CB 3.42Å; D289-D292 PolarHBondContact O-N 3.13Å; Y290-D292 VanDerWaalsContact C-N 3.29Å; Y290-D292 PolarHBondContact O-N 3.4Å; D292-V294 VanDerWaalsContact C-N 3.34Å; D292-V294 PolarHBondContact O-N 3.32Å; D292-G295 PolarHBondContact O-N 3.33Å; D292-L296 WeakPolarHBondContact O-CB 3.36Å; D292-L296 VanDerWaalsContact O-CG 3.27Å; D292-L296 WeakPolarHBondContact O-CG 3.25Å; D292-L296 PolarHBondContact O-N 3.4Å |
| 293 | Y | 86.9 | Confident | 84.4 | Confident | 97 Ų | 97 | 75.1 Ų | 75.1 | 38% | 0.38 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 173.7 | -74.3 | -73.9 | 0 | 0 | 0 | 112.4 | L285 L288 D289 Y290 L296 I297 | L285-Y293 PolarHBondContact O-OH 3.43Å; L288-Y293 HydrophobicContact CB-CD2 4.09Å; L288-Y293 HydrophobicContact CB-CE1 4.48Å; L288-Y293 HydrophobicContact CB-CE2 3.54Å; L288-Y293 HydrophobicContact CD1-CE1 4.13Å; L288-Y293 WeakPolarHBondContact O-CE2 3.49Å; D289-Y293 WeakPolarHBondContact O-CD2 3.47Å; D289-Y293 PolarHBondContact O-N 3.05Å; Y290-Y293 PolarHBondContact O-N 3.3Å; Y293-L296 PolarHBondContact O-N 2.89Å; Y293-I297 VanDerWaalsContact O-CG1 3.32Å; Y293-I297 WeakPolarHBondContact O-CG1 3.34Å; Y293-I297 PolarHBondContact O-N 2.83Å |
| 294 | V | 91.7 | Very high | 84.9 | Confident | 39 Ų | 39 | 74.1 Ų | 74.1 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 177.2 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | Y290 M291 D292 L296 I297 F298 | Y290-V294 HydrophobicContact CD1-CG2 4.28Å; Y290-V294 HydrophobicContact CE1-CG2 3.77Å; Y290-V294 HydrophobicContact CE2-CG2 4.35Å; Y290-V294 WeakPolarHBondContact O-CG2 3.37Å; Y290-V294 PolarHBondContact O-N 2.86Å; M291-V294 PolarHBondContact O-N 3.46Å; D292-V294 VanDerWaalsContact C-N 3.34Å; D292-V294 PolarHBondContact O-N 3.32Å; V294-L296 PolarHBondContact O-N 3.43Å; V294-I297 PolarHBondContact O-N 3.07Å; V294-F298 HydrophobicContact CG1-CD2 3.65Å; V294-F298 HydrophobicContact CG1-CE2 3.63Å; V294-F298 VanDerWaalsContact O-CD2 3.31Å; V294-F298 WeakPolarHBondContact O-CD2 3.49Å; V294-F298 PolarHBondContact O-N 2.93Å |
| 295 | G | 92.2 | Very high | 85.9 | Confident | 7 Ų | 7 | 77.8 Ų | 77.8 | 7% | 0.072 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | M291 D292 G299 | M291-G295 PolarHBondContact O-N 2.93Å; D292-G295 PolarHBondContact O-N 3.33Å; G295-G299 PolarHBondContact O-N 2.88Å |
| 296 | L | 89.2 | Confident | 87.3 | Confident | 37 Ų | 37 | 73.3 Ų | 73.3 | 19% | 0.194 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 175 | -71.9 | 169.7 | 0 | 0 | 0 | 112 | I138 H141 L288 D292 Y293 V294 G299 L300 | I138-L296 HydrophobicContact CB-CD2 4.38Å; I138-L296 HydrophobicContact CG2-CD2 3.65Å; I138-L296 WeakPolarHBondContact O-CD2 3.32Å; H141-L296 HydrophobicContact CB-CD2 4.43Å; H141-L296 HydrophobicContact CB-CG 4.11Å; L288-L296 HydrophobicContact CD1-CD1 3.87Å; D292-L296 WeakPolarHBondContact O-CB 3.36Å; D292-L296 VanDerWaalsContact O-CG 3.27Å; D292-L296 WeakPolarHBondContact O-CG 3.25Å; D292-L296 PolarHBondContact O-N 3.4Å; Y293-L296 PolarHBondContact O-N 2.89Å; V294-L296 PolarHBondContact O-N 3.43Å; L296-G299 PolarHBondContact O-N 2.99Å; L296-L300 WeakPolarHBondContact O-CB 3.41Å; L296-L300 PolarHBondContact O-N 3.29Å |
| 297 | I | 90.8 | Very high | 88.5 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.6 | -48.7 | 177.9 | -69.4 | 166.3 | 0 | 0 | 0 | 110.8 | Y293 V294 G299 L300 I301 | Y293-I297 VanDerWaalsContact O-CG1 3.32Å; Y293-I297 WeakPolarHBondContact O-CG1 3.34Å; Y293-I297 PolarHBondContact O-N 2.83Å; V294-I297 PolarHBondContact O-N 3.07Å; I297-G299 VanDerWaalsContact C-N 3.34Å; I297-G299 PolarHBondContact O-N 3.33Å; I297-L300 WeakPolarHBondContact O-CB 3.39Å; I297-L300 PolarHBondContact O-N 2.94Å; I297-I301 HydrophobicContact CG2-CD1 3.98Å; I297-I301 WeakPolarHBondContact O-CG1 3.47Å; I297-I301 PolarHBondContact O-N 3.28Å |
| 298 | F | 94 | Very high | 89.4 | Confident | 110 Ų | 110 | 66.5 Ų | 66.5 | 48% | 0.482 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 175.8 | -84.7 | -72.1 | 0 | 0 | 0 | 110.8 | V294 L300 I301 F302 | V294-F298 HydrophobicContact CG1-CD2 3.65Å; V294-F298 HydrophobicContact CG1-CE2 3.63Å; V294-F298 VanDerWaalsContact O-CD2 3.31Å; V294-F298 WeakPolarHBondContact O-CD2 3.49Å; V294-F298 PolarHBondContact O-N 2.93Å; F298-L300 VanDerWaalsContact C-N 3.26Å; F298-L300 PolarHBondContact O-N 3.47Å; F298-I301 PolarHBondContact O-N 3.25Å; F298-F302 HydrophobicContact CD1-CE2 4.27Å; F298-F302 VanDerWaalsContact O-CD2 3.24Å; F298-F302 WeakPolarHBondContact O-CD2 3.25Å; F298-F302 PolarHBondContact O-N 3.41Å |
| 299 | G | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.9 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G134 I138 G295 L296 I297 T303 | G134-G299 CarbonylContact C-O 3.37Å; G134-G299 WeakPolarHBondContact CA-O 3.48Å; G134-G299 VanDerWaalsContact O-CA 3.28Å; G134-G299 WeakPolarHBondContact O-CA 3.45Å; I138-G299 VanDerWaalsContact CG1-C 3.48Å; G295-G299 PolarHBondContact O-N 2.88Å; L296-G299 PolarHBondContact O-N 2.99Å; I297-G299 VanDerWaalsContact C-N 3.34Å; I297-G299 PolarHBondContact O-N 3.33Å; G299-T303 WeakPolarHBondContact O-CG2 3.24Å; G299-T303 PolarHBondContact O-N 2.99Å; G299-T303 PolarHBondContact O-OG1 2.92Å |
| 300 | L | 90.7 | Very high | 90 | Very high | 105 Ų | 105 | 62.2 Ų | 62.2 | 55% | 0.55 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 174.4 | -172.9 | 67.6 | 0 | 0 | 0 | 112.2 | L296 I297 F298 T303 V304 | L296-L300 WeakPolarHBondContact O-CB 3.41Å; L296-L300 PolarHBondContact O-N 3.29Å; I297-L300 WeakPolarHBondContact O-CB 3.39Å; I297-L300 PolarHBondContact O-N 2.94Å; F298-L300 VanDerWaalsContact C-N 3.26Å; F298-L300 PolarHBondContact O-N 3.47Å; L300-T303 VanDerWaalsContact CA-OG1 3.3Å; L300-T303 WeakPolarHBondContact CA-OG1 3.33Å; L300-T303 PolarHBondContact O-N 3.36Å; L300-T303 PolarHBondContact O-OG1 3.44Å; L300-V304 HydrophobicContact CD1-CG2 4.49Å; L300-V304 WeakPolarHBondContact O-CB 3.29Å; L300-V304 VanDerWaalsContact O-CG2 3.29Å; L300-V304 WeakPolarHBondContact O-CG2 3.49Å; L300-V304 PolarHBondContact O-N 3.37Å |
| 301 | I | 93.4 | Very high | 89.7 | Confident | 81 Ų | 81 | 55.4 Ų | 55.4 | 42% | 0.415 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61 | -49.3 | 177.3 | -68.1 | 166.3 | 0 | 0 | 0 | 110.6 | I297 F298 T303 V304 L305 | I297-I301 HydrophobicContact CG2-CD1 3.98Å; I297-I301 WeakPolarHBondContact O-CG1 3.47Å; I297-I301 PolarHBondContact O-N 3.28Å; F298-I301 PolarHBondContact O-N 3.25Å; I301-T303 VanDerWaalsContact C-N 3.35Å; I301-T303 PolarHBondContact O-N 3.48Å; I301-V304 PolarHBondContact O-N 3.5Å; I301-L305 HydrophobicContact CG2-CD1 3.82Å; I301-L305 HydrophobicContact CG2-CG 4.35Å; I301-L305 WeakPolarHBondContact O-CB 3.29Å; I301-L305 VanDerWaalsContact O-CG 3.29Å; I301-L305 WeakPolarHBondContact O-CG 3.46Å; I301-L305 PolarHBondContact O-N 2.9Å |
| 302 | F | 94.8 | Very high | 89.3 | Confident | 67 Ų | 67 | 54 Ų | 54 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 178.8 | -83.4 | -84.6 | 0 | 0 | 0 | 111.7 | V130 L133 G134 L137 F298 L305 G306 | V130-F302 HydrophobicContact CG1-CB 4.34Å; V130-F302 HydrophobicContact CG1-CD1 3.8Å; V130-F302 VanDerWaalsContact CG1-O 3.25Å; V130-F302 WeakPolarHBondContact CG1-O 3.4Å; L133-F302 HydrophobicContact CD2-CD1 3.72Å; L133-F302 HydrophobicContact CD2-CE1 3.7Å; L133-F302 HydrophobicContact CD2-CG 4.26Å; L133-F302 HydrophobicContact CD2-CZ 4.23Å; G134-F302 VanDerWaalsContact CA-CB 3.42Å; L137-F302 HydrophobicContact CD1-CD2 4.25Å; F298-F302 HydrophobicContact CD1-CE2 4.27Å; F298-F302 VanDerWaalsContact O-CD2 3.24Å; F298-F302 WeakPolarHBondContact O-CD2 3.25Å; F298-F302 PolarHBondContact O-N 3.41Å; F302-L305 PolarHBondContact O-N 3.28Å; F302-G306 PolarHBondContact O-N 3.48Å |
| 303 | T | 90.7 | Very high | 88.7 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 176.6 | 46.6 | 0 | 0 | 0 | 0 | 112.6 | I138 V268 G299 L300 I301 G306 I307 | I138-T303 HydrophobicContact CD1-CG2 3.93Å; V268-T303 HydrophobicContact CG1-CG2 4Å; V268-T303 HydrophobicContact CG2-CG2 4.29Å; G299-T303 WeakPolarHBondContact O-CG2 3.24Å; G299-T303 PolarHBondContact O-N 2.99Å; G299-T303 PolarHBondContact O-OG1 2.92Å; L300-T303 VanDerWaalsContact CA-OG1 3.3Å; L300-T303 WeakPolarHBondContact CA-OG1 3.33Å; L300-T303 PolarHBondContact O-N 3.36Å; L300-T303 PolarHBondContact O-OG1 3.44Å; I301-T303 VanDerWaalsContact C-N 3.35Å; I301-T303 PolarHBondContact O-N 3.48Å; T303-G306 PolarHBondContact O-N 3.38Å; T303-I307 VanDerWaalsContact O-CG1 3.29Å; T303-I307 WeakPolarHBondContact O-CG1 3.31Å; T303-I307 PolarHBondContact O-N 3.35Å |
| 304 | V | 89.2 | Confident | 87.8 | Confident | 71 Ų | 71 | 53.1 Ų | 53.1 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 177 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | L300 I301 G306 I307 I308 | L300-V304 HydrophobicContact CD1-CG2 4.49Å; L300-V304 WeakPolarHBondContact O-CB 3.29Å; L300-V304 VanDerWaalsContact O-CG2 3.29Å; L300-V304 WeakPolarHBondContact O-CG2 3.49Å; L300-V304 PolarHBondContact O-N 3.37Å; I301-V304 PolarHBondContact O-N 3.5Å; V304-G306 PolarHBondContact O-N 3.06Å; V304-I307 PolarHBondContact O-N 2.95Å; V304-I308 HydrophobicContact CG1-CD1 3.88Å; V304-I308 WeakPolarHBondContact O-CG1 3.31Å; V304-I308 PolarHBondContact O-N 2.87Å |
| 305 | L | 91.8 | Very high | 86.5 | Confident | 89 Ų | 89 | 56.8 Ų | 56.8 | 47% | 0.466 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 176.2 | -72.9 | 173.3 | 0 | 0 | 0 | 111.2 | V130 I301 F302 I307 I308 M309 | V130-L305 HydrophobicContact CG1-CB 4.31Å; I301-L305 HydrophobicContact CG2-CD1 3.82Å; I301-L305 HydrophobicContact CG2-CG 4.35Å; I301-L305 WeakPolarHBondContact O-CB 3.29Å; I301-L305 VanDerWaalsContact O-CG 3.29Å; I301-L305 WeakPolarHBondContact O-CG 3.46Å; I301-L305 PolarHBondContact O-N 2.9Å; F302-L305 PolarHBondContact O-N 3.28Å; L305-I307 VanDerWaalsContact C-N 3.33Å; L305-I307 PolarHBondContact O-N 2.97Å; L305-I308 PolarHBondContact O-N 2.94Å; L305-M309 VanDerWaalsContact O-CG 3.28Å; L305-M309 WeakPolarHBondContact O-CG 3.33Å; L305-M309 PolarHBondContact O-N 2.92Å |
| 306 | G | 90.7 | Very high | 85 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G127 C131 F302 T303 V304 M309 I310 | G127-G306 WeakPolarHBondContact O-CA 3.46Å; C131-G306 WeakPolarHBondContact SG-CA 3.37Å; F302-G306 PolarHBondContact O-N 3.48Å; T303-G306 PolarHBondContact O-N 3.38Å; V304-G306 PolarHBondContact O-N 3.06Å; G306-M309 PolarHBondContact O-N 3.28Å; G306-I310 WeakPolarHBondContact O-CB 3.37Å; G306-I310 VanDerWaalsContact O-CG1 3.25Å; G306-I310 WeakPolarHBondContact O-CG1 3.38Å; G306-I310 PolarHBondContact O-N 3.33Å |
| 307 | I | 87.4 | Confident | 83.2 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.5 | -49.5 | 175.6 | -71.2 | 167.8 | 0 | 0 | 0 | 110 | C131 L265 V268 F269 T303 V304 L305 M309 I310 T311 | C131-I307 PolarHBondContact SG-N 2.92Å; L265-I307 HydrophobicContact CD2-CB 4.4Å; L265-I307 HydrophobicContact CD2-CG1 3.98Å; L265-I307 HydrophobicContact CD2-CG2 3.91Å; V268-I307 HydrophobicContact CB-CD1 4.45Å; V268-I307 HydrophobicContact CG1-CD1 3.74Å; V268-I307 HydrophobicContact CG1-CG1 4.41Å; F269-I307 HydrophobicContact CE1-CD1 4.12Å; F269-I307 HydrophobicContact CZ-CD1 4.34Å; T303-I307 VanDerWaalsContact O-CG1 3.29Å; T303-I307 WeakPolarHBondContact O-CG1 3.31Å; T303-I307 PolarHBondContact O-N 3.35Å; V304-I307 PolarHBondContact O-N 2.95Å; L305-I307 VanDerWaalsContact C-N 3.33Å; L305-I307 PolarHBondContact O-N 2.97Å; I307-M309 VanDerWaalsContact C-N 3.28Å; I307-M309 PolarHBondContact O-N 2.98Å; I307-I310 CarbonylContact O-C 3.6Å; I307-I310 PolarHBondContact O-N 3.43Å; I307-I310 VanDerWaalsContact O-N 3.07Å; I307-T311 HydrophobicContact CG2-CG2 4.14Å; I307-T311 WeakPolarHBondContact O-CG2 3.26Å; I307-T311 PolarHBondContact O-N 2.79Å; I307-T311 PolarHBondContact O-OG1 3.11Å |
| 308 | I | 87.4 | Confident | 81.5 | Confident | 79 Ų | 79 | 63 Ų | 63 | 41% | 0.405 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 179.5 | -68.3 | 167 | 0 | 0 | 0 | 110.5 | V304 L305 I310 T311 V312 L313 | V304-I308 HydrophobicContact CG1-CD1 3.88Å; V304-I308 WeakPolarHBondContact O-CG1 3.31Å; V304-I308 PolarHBondContact O-N 2.87Å; L305-I308 PolarHBondContact O-N 2.94Å; I308-I310 VanDerWaalsContact C-N 3.34Å; I308-I310 PolarHBondContact O-N 3.33Å; I308-T311 PolarHBondContact O-N 2.93Å; I308-V312 HydrophobicContact CG2-CB 4.29Å; I308-V312 HydrophobicContact CG2-CG2 4.09Å; I308-V312 WeakPolarHBondContact O-CA 3.41Å; I308-V312 VanDerWaalsContact O-CB 3.26Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 PolarHBondContact O-N 3.44Å; I308-L313 PolarHBondContact O-N 2.8Å |
| 309 | M | 88.4 | Confident | 79.4 | Confident | 41 Ų | 41 | 60.5 Ų | 60.5 | 20% | 0.202 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.2 | -40 | 176.7 | -66.2 | -175.4 | 78.8 | 0 | 0 | 112.3 | I123 F126 L305 G306 I307 L313 | I123-M309 HydrophobicContact CG2-CB 4.31Å; I123-M309 HydrophobicContact CG2-CE 3.74Å; F126-M309 HydrophobicContact CB-CE 4.5Å; F126-M309 HydrophobicContact CD1-CE 3.36Å; F126-M309 HydrophobicContact CD1-SD 3.77Å; F126-M309 HydrophobicContact CE1-CE 3.98Å; F126-M309 HydrophobicContact CE1-SD 4.08Å; F126-M309 HydrophobicContact CG-CE 4.35Å; L305-M309 VanDerWaalsContact O-CG 3.28Å; L305-M309 WeakPolarHBondContact O-CG 3.33Å; L305-M309 PolarHBondContact O-N 2.92Å; G306-M309 PolarHBondContact O-N 3.28Å; I307-M309 VanDerWaalsContact C-N 3.28Å; I307-M309 PolarHBondContact O-N 2.98Å; M309-L313 HydrophobicContact CB-CD1 4.46Å; M309-L313 HydrophobicContact CG-CD1 4.11Å; M309-L313 CarbonylContact O-C 3.51Å; M309-L313 WeakPolarHBondContact O-CB 3.28Å; M309-L313 PolarHBondContact O-N 3.41Å |
| 310 | I | 85 | Confident | 77.6 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -74 | -32.8 | 179.9 | -69.1 | 165.8 | 0 | 0 | 0 | 112.3 | C128 C131 I261 P264 L265 G306 I307 I308 K314 | C128-I310 HydrophobicContact CB-CD1 4.31Å; C131-I310 HydrophobicContact CB-CD1 4.43Å; I261-I310 HydrophobicContact CB-CG2 4.21Å; I261-I310 HydrophobicContact CG1-CG2 4.12Å; I261-I310 HydrophobicContact CG2-CG2 3.89Å; P264-I310 HydrophobicContact CB-CD1 3.7Å; P264-I310 HydrophobicContact CG-CD1 4.22Å; L265-I310 HydrophobicContact CG-CG2 4.49Å; G306-I310 WeakPolarHBondContact O-CB 3.37Å; G306-I310 VanDerWaalsContact O-CG1 3.25Å; G306-I310 WeakPolarHBondContact O-CG1 3.38Å; G306-I310 PolarHBondContact O-N 3.33Å; I307-I310 CarbonylContact O-C 3.6Å; I307-I310 PolarHBondContact O-N 3.43Å; I307-I310 VanDerWaalsContact O-N 3.07Å; I308-I310 VanDerWaalsContact C-N 3.34Å; I308-I310 PolarHBondContact O-N 3.33Å; I310-K314 VanDerWaalsContact O-CB 3.31Å; I310-K314 WeakPolarHBondContact O-CB 3.43Å |
| 311 | T | 80.7 | Confident | 75.9 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 20% | 0.202 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -97.7 | -42.8 | -173.8 | 59.9 | 0 | 0 | 0 | 0 | 113.4 | I191 L265 I307 I308 | I191-T311 HydrophobicContact CD1-CG2 4.26Å; I191-T311 HydrophobicContact CG1-CG2 4.32Å; L265-T311 HydrophobicContact CD1-CG2 4.06Å; L265-T311 HydrophobicContact CD2-CG2 4.03Å; I307-T311 HydrophobicContact CG2-CG2 4.14Å; I307-T311 WeakPolarHBondContact O-CG2 3.26Å; I307-T311 PolarHBondContact O-N 2.79Å; I307-T311 PolarHBondContact O-OG1 3.11Å; I308-T311 PolarHBondContact O-N 2.93Å |
| 312 | V | 80.7 | Confident | 74.2 | Confident | 97 Ų | 97 | 68.8 Ų | 68.8 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -40.8 | -175.1 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | I308 K314 | I308-V312 HydrophobicContact CG2-CB 4.29Å; I308-V312 HydrophobicContact CG2-CG2 4.09Å; I308-V312 WeakPolarHBondContact O-CA 3.41Å; I308-V312 VanDerWaalsContact O-CB 3.26Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 PolarHBondContact O-N 3.44Å; V312-K314 VanDerWaalsContact C-N 3.33Å |
| 313 | L | 74.7 | Confident | 72.3 | Confident | 64 Ų | 64 | 68.5 Ų | 68.5 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -96.5 | 17.7 | -175.3 | -50.3 | 178.8 | 0 | 0 | 0 | 113.1 | I123 I308 M309 D315 S316 | I123-L313 HydrophobicContact CG2-CB 3.52Å; I123-L313 HydrophobicContact CG2-CD1 3.87Å; I123-L313 HydrophobicContact CG2-CG 4.36Å; I308-L313 PolarHBondContact O-N 2.8Å; M309-L313 HydrophobicContact CB-CD1 4.46Å; M309-L313 HydrophobicContact CG-CD1 4.11Å; M309-L313 CarbonylContact O-C 3.51Å; M309-L313 WeakPolarHBondContact O-CB 3.28Å; M309-L313 PolarHBondContact O-N 3.41Å; L313-D315 VanDerWaalsContact C-N 3.29Å; L313-D315 PolarHBondContact O-N 3.47Å; L313-S316 WeakPolarHBondContact CA-OG 3.47Å; L313-S316 PolarHBondContact O-OG 2.84Å |
| 314 | K | 68.7 | Low | 70.8 | Confident | 61 Ų | 61 | 75.7 Ų | 75.7 | 27% | 0.265 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -67.1 | -32.8 | -179.4 | 82.4 | -175 | -178.1 | -176.4 | 0 | 112.2 | N121 I261 I310 V312 | N121-K314 PolarHBondContact ND2-O 2.96Å; I261-K314 HydrophobicContact CD1-CB 4.24Å; I261-K314 HydrophobicContact CD1-CD 3.77Å; I310-K314 VanDerWaalsContact O-CB 3.31Å; I310-K314 WeakPolarHBondContact O-CB 3.43Å; V312-K314 VanDerWaalsContact C-N 3.33Å |
| 315 | D | 63.4 | Low | 69.5 | Low | 117 Ų | 117 | 76.2 Ų | 76.2 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -95.8 | -6.5 | -173.6 | -60.4 | -43.9 | 0 | 0 | 0 | 112.9 | L313 N317 | L313-D315 VanDerWaalsContact C-N 3.29Å; L313-D315 PolarHBondContact O-N 3.47Å; D315-N317 PolarHBondContact O-N 3.05Å |
| 316 | S | 60.5 | Low | 67.5 | Low | 45 Ų | 45 | 77 Ų | 77 | 32% | 0.315 | 39% | 0.391 | S | S | . | . | trans | -72.3 | 103.6 | 173.2 | 16.5 | 0 | 0 | 0 | 0 | 109.3 | L313 F318 | L313-S316 WeakPolarHBondContact CA-OG 3.47Å; L313-S316 PolarHBondContact O-OG 2.84Å; S316-F318 PolarHBondContact O-N 3.47Å | ||
| 317 | N | 53.1 | Low | 65.9 | Low | 135 Ų | 135 | 83.7 Ų | 83.7 | 72% | 0.722 | 42% | 0.42 | S | S | * | . | trans | -68 | 52 | 176.2 | -70.6 | -26.8 | 0 | 0 | 0 | 112.7 | N121 D315 S319 | N121-N317 PolarHBondContact ND2-OD1 2.73Å; D315-N317 PolarHBondContact O-N 3.05Å; N317-S319 PolarHBondContact O-N 2.95Å | ||
| 318 | F | 53.4 | Low | 64.5 | Low | 96 Ų | 96 | 89 Ų | 89 | 42% | 0.421 | 44% | 0.444 | S | S | . | . | trans | -76.7 | 83 | 172.5 | -150.8 | -94.3 | 0 | 0 | 0 | 108.5 | I123 S316 L323 L326 | I123-F318 HydrophobicContact CD1-CB 3.64Å; I123-F318 HydrophobicContact CG1-CB 4.13Å; S316-F318 PolarHBondContact O-N 3.47Å; F318-L323 HydrophobicContact CE1-CB 3.96Å; F318-L323 HydrophobicContact CE1-CD1 4.06Å; F318-L323 HydrophobicContact CE1-CG 4.48Å; F318-L323 HydrophobicContact CZ-CD1 4.39Å; F318-L326 HydrophobicContact CZ-CD1 4.4Å | ||
| 319 | S | 51.6 | Low | 62.8 | Low | 58 Ų | 58 | 87.4 Ų | 87.4 | 41% | 0.406 | 44% | 0.443 | S | S | . | . | trans | -67.7 | 135.4 | 174 | -178 | 0 | 0 | 0 | 0 | 109.4 | N317 K321 S322 | N317-S319 PolarHBondContact O-N 2.95Å; S319-K321 PolarHBondContact O-N 2.9Å; S319-S322 WeakPolarHBondContact O-CB 3.39Å; S319-S322 PolarHBondContact O-N 3.07Å | ||
| 320 | W | 52.9 | Low | 60.6 | Low | 145 Ų | 145 | 92.7 Ų | 92.7 | 55% | 0.549 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -53.5 | -21.7 | 176.2 | -123.8 | 85.5 | 0 | 0 | 0 | 113.3 | C122 S322 L323 R324 | C122-W320 VanDerWaalsContact SG-CD1 3.57Å; W320-S322 VanDerWaalsContact C-N 3.35Å; W320-L323 PolarHBondContact O-N 3.41Å; W320-R324 HydrophobicContact CE3-CG 3.87Å; W320-R324 HydrophobicContact CZ3-CG 4Å; W320-R324 PolarHBondContact O-N 2.83Å |
| 321 | K | 54.9 | Low | 58.7 | Low | 164 Ų | 164 | 100 Ų | 100 | 71% | 0.713 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.4 | -40.6 | 171.5 | -68.9 | -176.4 | 178 | -178.8 | 0 | 112 | S319 L323 R324 T325 | S319-K321 PolarHBondContact O-N 2.9Å; K321-L323 VanDerWaalsContact C-N 3.35Å; K321-L323 PolarHBondContact O-N 3.31Å; K321-R324 PolarHBondContact O-N 2.98Å; K321-T325 WeakPolarHBondContact O-CG2 3.47Å; K321-T325 PolarHBondContact O-N 3.32Å; K321-T325 PolarHBondContact O-OG1 3.49Å |
| 322 | S | 58.1 | Low | 56.8 | Low | 52 Ų | 52 | 101.3 Ų | 101.3 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.5 | -30.4 | 178.7 | -49.8 | 0 | 0 | 0 | 0 | 112.9 | S319 W320 T325 L326 | S319-S322 WeakPolarHBondContact O-CB 3.39Å; S319-S322 PolarHBondContact O-N 3.07Å; W320-S322 VanDerWaalsContact C-N 3.35Å; S322-T325 WeakPolarHBondContact CA-OG1 3.21Å; S322-T325 PolarHBondContact O-OG1 3.16Å; S322-L326 WeakPolarHBondContact O-CG 3.26Å; S322-L326 PolarHBondContact O-N 2.83Å; S322-L326 VanDerWaalsContact O-N 3.16Å |
| 323 | L | 55.3 | Low | 54.9 | Low | 61 Ų | 61 | 102.4 Ų | 102.4 | 32% | 0.319 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.9 | -38 | 173.6 | -168.4 | 65.8 | 0 | 0 | 0 | 111.6 | F318 W320 K321 L326 F327 | F318-L323 HydrophobicContact CE1-CB 3.96Å; F318-L323 HydrophobicContact CE1-CD1 4.06Å; F318-L323 HydrophobicContact CE1-CG 4.48Å; F318-L323 HydrophobicContact CZ-CD1 4.39Å; W320-L323 PolarHBondContact O-N 3.41Å; K321-L323 VanDerWaalsContact C-N 3.35Å; K321-L323 PolarHBondContact O-N 3.31Å; L323-L326 PolarHBondContact O-N 3.38Å; L323-F327 HydrophobicContact CD1-CD2 4.28Å; L323-F327 HydrophobicContact CD1-CE2 4.41Å; L323-F327 HydrophobicContact CG-CD2 4.2Å; L323-F327 PolarHBondContact O-N 2.9Å |
| 324 | R | 59 | Low | 53 | Low | 155 Ų | 155 | 109.8 Ų | 109.8 | 59% | 0.585 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 173.7 | -78.3 | -174.2 | -175.9 | -162.4 | 1.1 | 111.8 | W320 K321 F327 Q328 | W320-R324 HydrophobicContact CE3-CG 3.87Å; W320-R324 HydrophobicContact CZ3-CG 4Å; W320-R324 PolarHBondContact O-N 2.83Å; K321-R324 PolarHBondContact O-N 2.98Å; R324-F327 PolarHBondContact O-N 3.35Å; R324-Q328 VanDerWaalsContact O-CB 3.27Å; R324-Q328 WeakPolarHBondContact O-CB 3.27Å; R324-Q328 VanDerWaalsContact O-CG 3.26Å; R324-Q328 WeakPolarHBondContact O-CG 3.34Å; R324-Q328 PolarHBondContact O-N 2.9Å |
| 325 | T | 62.2 | Low | 51.5 | Low | 82 Ų | 82 | 111.1 Ų | 111.1 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.2 | -38.7 | 175.3 | 52.3 | 0 | 0 | 0 | 0 | 111.7 | K321 S322 Q328 A329 | K321-T325 WeakPolarHBondContact O-CG2 3.47Å; K321-T325 PolarHBondContact O-N 3.32Å; K321-T325 PolarHBondContact O-OG1 3.49Å; S322-T325 WeakPolarHBondContact CA-OG1 3.21Å; S322-T325 PolarHBondContact O-OG1 3.16Å; T325-Q328 PolarHBondContact O-N 3.45Å; T325-A329 WeakPolarHBondContact O-CB 3.42Å; T325-A329 PolarHBondContact O-N 3.01Å |
| 326 | L | 50.1 | Low | 50.2 | Low | 106 Ų | 106 | 107.8 Ų | 107.8 | 56% | 0.555 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.3 | -41.6 | 172.9 | -80 | 166.3 | 0 | 0 | 0 | 113.1 | F318 S322 L323 K330 | F318-L326 HydrophobicContact CZ-CD1 4.4Å; S322-L326 WeakPolarHBondContact O-CG 3.26Å; S322-L326 PolarHBondContact O-N 2.83Å; S322-L326 VanDerWaalsContact O-N 3.16Å; L323-L326 PolarHBondContact O-N 3.38Å; L326-K330 WeakPolarHBondContact O-CB 3.47Å; L326-K330 PolarHBondContact O-N 3.14Å |
| 327 | F | 56.2 | Low | 48.9 | Very low | 141 Ų | 141 | 110.8 Ų | 110.8 | 62% | 0.618 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.6 | -36.8 | 176.5 | -102 | -84.6 | 0 | 0 | 0 | 112.6 | L323 R324 K330 H331 | L323-F327 HydrophobicContact CD1-CD2 4.28Å; L323-F327 HydrophobicContact CD1-CE2 4.41Å; L323-F327 HydrophobicContact CG-CD2 4.2Å; L323-F327 PolarHBondContact O-N 2.9Å; R324-F327 PolarHBondContact O-N 3.35Å; F327-K330 PolarHBondContact O-N 3.3Å; F327-H331 PolarHBondContact O-N 2.84Å; F327-H331 VanDerWaalsContact O-N 3.14Å |
| 328 | Q | 57.9 | Low | 48 | Very low | 135 Ų | 135 | 111.7 Ų | 111.7 | 63% | 0.631 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.4 | -39.8 | 174.4 | -76 | 176 | -17.4 | 0 | 0 | 111.6 | R324 T325 K330 H331 S332 | R324-Q328 VanDerWaalsContact O-CB 3.27Å; R324-Q328 WeakPolarHBondContact O-CB 3.27Å; R324-Q328 VanDerWaalsContact O-CG 3.26Å; R324-Q328 WeakPolarHBondContact O-CG 3.34Å; R324-Q328 PolarHBondContact O-N 2.9Å; T325-Q328 PolarHBondContact O-N 3.45Å; Q328-K330 VanDerWaalsContact C-N 3.31Å; Q328-K330 PolarHBondContact O-N 2.84Å; Q328-H331 PolarHBondContact O-N 3.39Å; Q328-H331 VanDerWaalsContact O-N 3.15Å; Q328-S332 PolarHBondContact O-N 3.3Å |
| 329 | A | 52.4 | Low | 47.2 | Very low | 45 Ų | 45 | 110 Ų | 110 | 37% | 0.372 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.7 | -35.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T325 H331 S332 I333 | T325-A329 WeakPolarHBondContact O-CB 3.42Å; T325-A329 PolarHBondContact O-N 3.01Å; A329-H331 VanDerWaalsContact C-N 3.31Å; A329-H331 PolarHBondContact O-N 3.4Å; A329-S332 WeakPolarHBondContact CA-OG 3.47Å; A329-S332 PolarHBondContact O-N 3.06Å; A329-S332 PolarHBondContact O-OG 2.88Å; A329-I333 WeakPolarHBondContact O-CD1 3.33Å; A329-I333 VanDerWaalsContact O-CG1 3.29Å; A329-I333 WeakPolarHBondContact O-CG1 3.46Å; A329-I333 PolarHBondContact O-N 2.98Å |
| 330 | K | 41.1 | Very low | 46.4 | Very low | 153 Ų | 153 | 111.6 Ų | 111.6 | 67% | 0.665 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.3 | -29 | 174.7 | -162.8 | 174 | -176.9 | -177.3 | 0 | 112.5 | L326 F327 Q328 | L326-K330 WeakPolarHBondContact O-CB 3.47Å; L326-K330 PolarHBondContact O-N 3.14Å; F327-K330 PolarHBondContact O-N 3.3Å; Q328-K330 VanDerWaalsContact C-N 3.31Å; Q328-K330 PolarHBondContact O-N 2.84Å |
| 331 | H | 45.6 | Very low | 45.6 | Very low | 156 Ų | 156 | 112.2 Ų | 112.2 | 72% | 0.722 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -80.3 | -26.3 | 176.6 | -142.1 | -68.4 | 0 | 0 | 0 | 112.9 | F327 Q328 A329 | F327-H331 PolarHBondContact O-N 2.84Å; F327-H331 VanDerWaalsContact O-N 3.14Å; Q328-H331 PolarHBondContact O-N 3.39Å; Q328-H331 VanDerWaalsContact O-N 3.15Å; A329-H331 VanDerWaalsContact C-N 3.31Å; A329-H331 PolarHBondContact O-N 3.4Å |
| 332 | S | 41.8 | Very low | 44.9 | Very low | 59 Ų | 59 | 108.9 Ų | 108.9 | 41% | 0.413 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -75.5 | -28.9 | 174 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | Q328 A329 Y334 S335 S336 | Q328-S332 PolarHBondContact O-N 3.3Å; A329-S332 WeakPolarHBondContact CA-OG 3.47Å; A329-S332 PolarHBondContact O-N 3.06Å; A329-S332 PolarHBondContact O-OG 2.88Å; S332-Y334 VanDerWaalsContact C-N 3.29Å; S332-Y334 PolarHBondContact O-N 3.47Å; S332-S335 PolarHBondContact O-N 3.35Å; S332-S335 PolarHBondContact O-OG 3.39Å; S332-S335 VanDerWaalsContact O-OG 3.08Å; S332-S336 VanDerWaalsContact O-CB 3.28Å; S332-S336 WeakPolarHBondContact O-CB 3.22Å; S332-S336 PolarHBondContact O-N 3.4Å; S332-S336 VanDerWaalsContact O-N 3.11Å; S332-S336 PolarHBondContact O-OG 3.37Å |
| 333 | I | 40.6 | Very low | 43.9 | Very low | 121 Ų | 121 | 112.6 Ų | 112.6 | 62% | 0.621 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69 | -25.5 | 179.8 | -69.4 | 165.5 | 0 | 0 | 0 | 112.4 | A329 S336 | A329-I333 WeakPolarHBondContact O-CD1 3.33Å; A329-I333 VanDerWaalsContact O-CG1 3.29Å; A329-I333 WeakPolarHBondContact O-CG1 3.46Å; A329-I333 PolarHBondContact O-N 2.98Å; I333-S336 PolarHBondContact O-OG 3.4Å |
| 334 | Y | 34.3 | Very low | 43.1 | Very low | 219 Ų | 219 | 116.5 Ų | 116.5 | 86% | 0.859 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -16.5 | 174.8 | -116.3 | -90.3 | 0 | 0 | 0 | 113.8 | S332 | S332-Y334 VanDerWaalsContact C-N 3.29Å; S332-Y334 PolarHBondContact O-N 3.47Å |
| 335 | S | 36.3 | Very low | 42.1 | Very low | 89 Ų | 89 | 111.8 Ų | 111.8 | 62% | 0.622 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -8.5 | 175.3 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | S332 S337 | S332-S335 PolarHBondContact O-N 3.35Å; S332-S335 PolarHBondContact O-OG 3.39Å; S332-S335 VanDerWaalsContact O-OG 3.08Å; S335-S337 PolarHBondContact O-N 3.45Å |
| 336 | S | 36.9 | Very low | 41.3 | Very low | 46 Ų | 46 | 114.3 Ų | 114.3 | 32% | 0.322 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.1 | 23.5 | -170.5 | 67 | 0 | 0 | 0 | 0 | 115.2 | S332 I333 N338 S339 | S332-S336 VanDerWaalsContact O-CB 3.28Å; S332-S336 WeakPolarHBondContact O-CB 3.22Å; S332-S336 PolarHBondContact O-N 3.4Å; S332-S336 VanDerWaalsContact O-N 3.11Å; S332-S336 PolarHBondContact O-OG 3.37Å; I333-S336 PolarHBondContact O-OG 3.4Å; S336-N338 PolarHBondContact O-N 2.9Å; S336-S339 WeakPolarHBondContact CA-OG 3.33Å; S336-S339 WeakPolarHBondContact CB-OG 3.35Å |
| 337 | S | 34.1 | Very low | 40.8 | Very low | 109 Ų | 109 | 114.3 Ų | 114.3 | 76% | 0.762 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -14.3 | 168.8 | -174.6 | 0 | 0 | 0 | 0 | 112.8 | S335 | S335-S337 PolarHBondContact O-N 3.45Š|
| 338 | N | 34.1 | Very low | 39.9 | Very low | 154 Ų | 154 | 114.4 Ų | 114.4 | 82% | 0.824 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | -1.2 | -178.2 | -82.4 | -12.2 | 0 | 0 | 0 | 115.1 | S336 | S336-N338 PolarHBondContact O-N 2.9Š|
| 339 | S | 36.4 | Very low | 39.1 | Very low | 59 Ų | 59 | 117.1 Ų | 117.1 | 41% | 0.413 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.2 | -6.4 | -170.5 | 64.5 | 0 | 0 | 0 | 0 | 115.5 | S336 F341 D342 M343 | S336-S339 WeakPolarHBondContact CA-OG 3.33Å; S336-S339 WeakPolarHBondContact CB-OG 3.35Å; S339-F341 VanDerWaalsContact C-N 3.28Å; S339-F341 PolarHBondContact O-N 2.96Å; S339-D342 PolarHBondContact O-N 2.79Å; S339-M343 PolarHBondContact O-N 3.01Å |
| 340 | S | 34.4 | Very low | 38.6 | Very low | 92 Ų | 92 | 124.6 Ų | 124.6 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.8 | -28.3 | 179.1 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 341 | F | 36.6 | Very low | 38.5 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 70% | 0.697 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.8 | -29.9 | 175.9 | -166.8 | -104.8 | 0 | 0 | 0 | 113.1 | S339 N345 | S339-F341 VanDerWaalsContact C-N 3.28Å; S339-F341 PolarHBondContact O-N 2.96Å; F341-N345 WeakPolarHBondContact CE1-ND2 3.38Å; F341-N345 PolarHBondContact O-N 3.27Å; F341-N345 PolarHBondContact O-ND2 3.23Å |
| 342 | D | 38.4 | Very low | 38.2 | Very low | 93 Ų | 93 | 120 Ų | 120 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -86.1 | -30.1 | -171.8 | -147.7 | 35 | 0 | 0 | 0 | 112.5 | S339 K346 | S339-D342 PolarHBondContact O-N 2.79Å; D342-K346 PolarHBondContact O-N 3.06Å; D342-K346 VanDerWaalsContact O-N 3.11Å |
| 343 | M | 38 | Very low | 38.1 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 65% | 0.645 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.7 | -38.2 | 175.4 | -165.4 | 158.8 | 176.5 | 0 | 0 | 112.2 | S339 N345 K346 L347 | S339-M343 PolarHBondContact O-N 3.01Å; M343-N345 VanDerWaalsContact C-N 3.35Å; M343-K346 PolarHBondContact O-N 3.42Å; M343-L347 PolarHBondContact O-N 3.15Å; M343-L347 VanDerWaalsContact O-N 3.11Å |
| 344 | H | 38.7 | Very low | 37.9 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 66% | 0.662 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.8 | -39.7 | 174.6 | -147.6 | 80.9 | 0 | 0 | 0 | 111.3 | L347 Y348 | H344-L347 PolarHBondContact O-N 3.44Å; H344-Y348 VanDerWaalsContact O-CB 3.24Å; H344-Y348 WeakPolarHBondContact O-CB 3.2Å; H344-Y348 PolarHBondContact O-N 2.87Å |
| 345 | N | 38.4 | Very low | 37.8 | Very low | 55 Ų | 55 | 122.3 Ų | 122.3 | 29% | 0.294 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.3 | -34 | 175.2 | -86.6 | -36.7 | 0 | 0 | 0 | 113.8 | F341 M343 R349 | F341-N345 WeakPolarHBondContact CE1-ND2 3.38Å; F341-N345 PolarHBondContact O-N 3.27Å; F341-N345 PolarHBondContact O-ND2 3.23Å; M343-N345 VanDerWaalsContact C-N 3.35Å; N345-R349 WeakPolarHBondContact O-CB 3.48Å; N345-R349 WeakPolarHBondContact O-CG 3.46Å; N345-R349 PolarHBondContact O-N 3.21Å |
| 346 | K | 44.2 | Very low | 37.7 | Very low | 136 Ų | 136 | 122.2 Ų | 122.2 | 59% | 0.591 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.2 | -40.5 | 175.3 | -80.7 | 177.1 | -177.7 | 169.9 | 0 | 112.6 | D342 M343 R350 | D342-K346 PolarHBondContact O-N 3.06Å; D342-K346 VanDerWaalsContact O-N 3.11Å; M343-K346 PolarHBondContact O-N 3.42Å; K346-R350 WeakPolarHBondContact O-CG 3.29Å; K346-R350 PolarHBondContact O-N 3.39Å; K346-R350 VanDerWaalsContact O-N 3.13Å |
| 347 | L | 40.2 | Very low | 37.4 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 55% | 0.55 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.6 | -44.4 | 173.7 | -110.9 | 108.1 | 0 | 0 | 0 | 111.3 | M343 H344 R349 R350 I351 | M343-L347 PolarHBondContact O-N 3.15Å; M343-L347 VanDerWaalsContact O-N 3.11Å; H344-L347 PolarHBondContact O-N 3.44Å; L347-R349 PolarHBondContact O-N 3.43Å; L347-R350 PolarHBondContact O-N 3.44Å; L347-I351 HydrophobicContact CD2-CD1 4.45Å; L347-I351 VanDerWaalsContact O-CG1 3.31Å; L347-I351 WeakPolarHBondContact O-CG1 3.42Å; L347-I351 PolarHBondContact O-N 3.47Å |
| 348 | Y | 38.6 | Very low | 37.2 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.4 | -41.6 | 178.7 | -159.2 | -101.6 | 0 | 0 | 0 | 112.1 | H344 I351 I352 | H344-Y348 VanDerWaalsContact O-CB 3.24Å; H344-Y348 WeakPolarHBondContact O-CB 3.2Å; H344-Y348 PolarHBondContact O-N 2.87Å; Y348-I351 PolarHBondContact O-N 3.01Å; Y348-I352 HydrophobicContact CD1-CD1 3.44Å; Y348-I352 VanDerWaalsContact CD1-CD1 3.44Å; Y348-I352 HydrophobicContact CD1-CG1 4.44Å; Y348-I352 HydrophobicContact CE1-CD1 3.22Å; Y348-I352 HydrophobicContact CE1-CG1 4.38Å; Y348-I352 HydrophobicContact CG-CD1 4.33Å; Y348-I352 VanDerWaalsContact O-CG1 3.31Å; Y348-I352 WeakPolarHBondContact O-CG1 3.37Å; Y348-I352 PolarHBondContact O-N 3.46Å |
| 349 | R | 40.2 | Very low | 36.9 | Very low | 191 Ų | 191 | 127 Ų | 127 | 72% | 0.721 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.6 | -36.7 | 174.1 | -77 | -169.5 | -154.8 | -160.9 | 8.4 | 113.3 | N345 L347 A353 | N345-R349 WeakPolarHBondContact O-CB 3.48Å; N345-R349 WeakPolarHBondContact O-CG 3.46Å; N345-R349 PolarHBondContact O-N 3.21Å; L347-R349 PolarHBondContact O-N 3.43Å; R349-A353 WeakPolarHBondContact O-CB 3.47Å; R349-A353 PolarHBondContact O-N 3.41Å |
| 350 | R | 41.3 | Very low | 36.4 | Very low | 202 Ų | 202 | 127.5 Ų | 127.5 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.5 | -32.5 | 178.3 | -79 | -177.7 | 174.8 | -177 | -1.9 | 112.6 | K346 L347 | K346-R350 WeakPolarHBondContact O-CG 3.29Å; K346-R350 PolarHBondContact O-N 3.39Å; K346-R350 VanDerWaalsContact O-N 3.13Å; L347-R350 PolarHBondContact O-N 3.44Å |
| 351 | I | 40.6 | Very low | 36.1 | Very low | 115 Ų | 115 | 129 Ų | 129 | 59% | 0.59 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.2 | -38.3 | 173.9 | -67.4 | 167 | 0 | 0 | 0 | 111 | L347 Y348 F354 | L347-I351 HydrophobicContact CD2-CD1 4.45Å; L347-I351 VanDerWaalsContact O-CG1 3.31Å; L347-I351 WeakPolarHBondContact O-CG1 3.42Å; L347-I351 PolarHBondContact O-N 3.47Å; Y348-I351 PolarHBondContact O-N 3.01Å; I351-F354 WeakPolarHBondContact O-CB 3.45Å; I351-F354 PolarHBondContact O-N 3.29Å |
| 352 | I | 37.4 | Very low | 35.8 | Very low | 99 Ų | 99 | 131 Ų | 131 | 51% | 0.508 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -73.6 | -28.6 | 177.7 | -67.5 | 173.4 | 0 | 0 | 0 | 112.7 | Y348 F354 K355 | Y348-I352 HydrophobicContact CD1-CD1 3.44Å; Y348-I352 VanDerWaalsContact CD1-CD1 3.44Å; Y348-I352 HydrophobicContact CD1-CG1 4.44Å; Y348-I352 HydrophobicContact CE1-CD1 3.22Å; Y348-I352 HydrophobicContact CE1-CG1 4.38Å; Y348-I352 HydrophobicContact CG-CD1 4.33Å; Y348-I352 VanDerWaalsContact O-CG1 3.31Å; Y348-I352 WeakPolarHBondContact O-CG1 3.37Å; Y348-I352 PolarHBondContact O-N 3.46Å; I352-F354 PolarHBondContact O-N 2.89Å; I352-K355 PolarHBondContact O-N 3.47Å |
| 353 | A | 39.6 | Very low | 35.3 | Very low | 83 Ų | 83 | 133.3 Ų | 133.3 | 69% | 0.686 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -18.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R349 K355 | R349-A353 WeakPolarHBondContact O-CB 3.47Å; R349-A353 PolarHBondContact O-N 3.41Å; A353-K355 PolarHBondContact O-N 3.21Å |
| 354 | F | 36.7 | Very low | 34.9 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 82% | 0.816 | 70% | 0.702 | S | S | * | * | trans | -87.8 | 50.1 | 172.9 | -126.7 | -86.9 | 0 | 0 | 0 | 111.7 | I351 I352 P356 | I351-F354 WeakPolarHBondContact O-CB 3.45Å; I351-F354 PolarHBondContact O-N 3.29Å; I352-F354 PolarHBondContact O-N 2.89Å; F354-P356 WeakPolarHBondContact O-CD 3.28Å | ||
| 355 | K | 31.9 | Very low | 34.4 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | -88.9 | 112.4 | 168 | -157.1 | 176.5 | -171 | -179.7 | 0 | 107.1 | I352 A353 T357 | I352-K355 PolarHBondContact O-N 3.47Å; A353-K355 PolarHBondContact O-N 3.21Å; K355-T357 PolarHBondContact O-N 3.33Å; K355-T357 VanDerWaalsContact O-N 3.11Å | ||
| 356 | P | 35.5 | Very low | 34 | Very low | 88 Ų | 88 | 142.3 Ų | 142.3 | 57% | 0.571 | 74% | 0.736 | S | S | * | * | trans | -65.5 | 120.8 | 175.3 | 27.8 | -30.4 | 0 | 0 | 0 | 107 | F354 S358 M417 | F354-P356 WeakPolarHBondContact O-CD 3.28Å; P356-S358 VanDerWaalsContact C-N 3.29Å; P356-S358 PolarHBondContact O-N 3.1Å; P356-M417 HydrophobicContact CG-CE 4.17Å | ||
| 357 | T | 30.3 | Very low | 33 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | trans | -63.3 | 92.8 | 170.6 | 37.4 | 0 | 0 | 0 | 0 | 108.2 | K355 N359 | K355-T357 PolarHBondContact O-N 3.33Å; K355-T357 VanDerWaalsContact O-N 3.11Å; T357-N359 PolarHBondContact O-N 3.4Å | ||
| 358 | S | 29.2 | Very low | 32.5 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -71.6 | 84.2 | 165.1 | 163.1 | 0 | 0 | 0 | 0 | 108.2 | P356 | P356-S358 VanDerWaalsContact C-N 3.29Å; P356-S358 PolarHBondContact O-N 3.1Å | ||
| 359 | N | 28.1 | Very low | 31.9 | Very low | 158 Ų | 158 | 152.2 Ų | 152.2 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -129.9 | 112.2 | 160.6 | -98.3 | -4.3 | 0 | 0 | 0 | 109.4 | T357 | T357-N359 PolarHBondContact O-N 3.4Š| ||
| 360 | G | 27.3 | Very low | 31.4 | Very low | 68 Ų | 68 | 146.1 Ų | 146.1 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 86.4 | 124.2 | 137.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 361 | S | 27.4 | Very low | 31.1 | Very low | 125 Ų | 125 | 144 Ų | 144 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | 82.7 | 114.2 | 148.6 | 60.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 362 | K | 29.4 | Very low | 31 | Very low | 199 Ų | 199 | 144.4 Ų | 144.4 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | trans | -57.6 | 131 | 163.3 | -59 | 162.5 | 173.1 | 175.7 | 0 | 109.9 | ||||
| 363 | T | 27.9 | Very low | 31 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 87% | 0.871 | 77% | 0.772 | S | S | * | * | 179.5 | 145.4 | 122 | 27.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 364 | Q | 31.3 | Very low | 30.6 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -38.1 | 137 | 176.4 | -74.7 | 163.5 | -38.9 | 0 | 0 | 116.9 | ||||
| 365 | H | 28.3 | Very low | 30.9 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | -162.4 | 146.3 | 117.5 | -128 | 30.8 | 0 | 0 | 0 | 114.1 | R367 | H365-R367 PolarHBondContact O-N 3.46Š| |||
| 366 | N | 27.9 | Very low | 31.3 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 73% | 0.725 | S | S | * | * | trans | -54.5 | 119.3 | 178.2 | -80.1 | -32.1 | 0 | 0 | 0 | 112.8 | ||||
| 367 | R | 24.7 | Very low | 31.6 | Very low | 240 Ų | 240 | 138 Ų | 138 | 91% | 0.906 | 73% | 0.729 | S | S | * | * | trans | 176 | 91.6 | 147.9 | -100.1 | 172.4 | -166.1 | 177.5 | 5.1 | 107.4 | H365 | H365-R367 PolarHBondContact O-N 3.46Š| ||
| 368 | H | 28.9 | Very low | 32.1 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 88% | 0.884 | 72% | 0.718 | S | S | * | * | trans | -118.4 | 70.8 | 170.2 | -103.9 | -71.7 | 0 | 0 | 0 | 109.7 | ||||
| 369 | L | 26.6 | Very low | 32.6 | Very low | 161 Ų | 161 | 137 Ų | 137 | 84% | 0.843 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -111.8 | 127.4 | 149.7 | -99 | 104.9 | 0 | 0 | 0 | 107.6 | ||
| 370 | S | 30 | Very low | 33.4 | Very low | 63 Ų | 63 | 133.1 Ų | 133.1 | 44% | 0.441 | 68% | 0.68 | S | S | . | * | trans | 58.6 | 55.6 | 146.9 | 64.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 371 | F | 33.6 | Very low | 34.4 | Very low | 158 Ų | 158 | 134 Ų | 134 | 69% | 0.693 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -86 | -33.5 | 163.6 | -159.2 | -98.8 | 0 | 0 | 0 | 112.9 | S375 | F371-S375 PolarHBondContact O-N 3.32Å; F371-S375 PolarHBondContact O-OG 3.37Å |
| 372 | D | 39.9 | Very low | 35.3 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 66% | 0.663 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.4 | -38.6 | 178.9 | -75.3 | -16.9 | 0 | 0 | 0 | 112.1 | S375 T376 | D372-S375 PolarHBondContact O-N 2.76Å; D372-T376 PolarHBondContact O-N 3.23Å; D372-T376 PolarHBondContact O-OG1 3.24Å; D372-T376 VanDerWaalsContact O-OG1 3.08Å |
| 373 | Q | 35.7 | Very low | 36.1 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 63% | 0.626 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.4 | -40.7 | 178.2 | -80.2 | 177.9 | -47.4 | 0 | 0 | 112.6 | S375 T376 E377 | Q373-S375 VanDerWaalsContact C-N 3.29Å; Q373-S375 PolarHBondContact O-N 3.08Å; Q373-T376 WeakPolarHBondContact CA-OG1 3.49Å; Q373-T376 PolarHBondContact O-N 3.08Å; Q373-T376 PolarHBondContact O-OG1 3.39Å; Q373-E377 PolarHBondContact O-N 3.39Å |
| 374 | M | 31.8 | Very low | 36.9 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67 | -32.2 | 179.9 | -164.3 | 175.2 | -122.3 | 0 | 0 | 112 | K378 | M374-K378 VanDerWaalsContact O-CB 3.28Å; M374-K378 WeakPolarHBondContact O-CB 3.4Å; M374-K378 PolarHBondContact O-N 3.11Å |
| 375 | S | 44.2 | Very low | 37.3 | Very low | 54 Ų | 54 | 130.2 Ų | 130.2 | 38% | 0.378 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -71.9 | -39.2 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | F371 D372 Q373 L379 | F371-S375 PolarHBondContact O-N 3.32Å; F371-S375 PolarHBondContact O-OG 3.37Å; D372-S375 PolarHBondContact O-N 2.76Å; Q373-S375 VanDerWaalsContact C-N 3.29Å; Q373-S375 PolarHBondContact O-N 3.08Å; S375-L379 WeakPolarHBondContact O-CB 3.33Å; S375-L379 PolarHBondContact O-N 3.3Å; S375-L379 VanDerWaalsContact O-N 3.1Å |
| 376 | T | 40.5 | Very low | 38.1 | Very low | 43 Ų | 43 | 125.6 Ų | 125.6 | 26% | 0.264 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.8 | -41.6 | 173.7 | 41.6 | 0 | 0 | 0 | 0 | 112.9 | D372 Q373 K378 L379 I380 L396 | D372-T376 PolarHBondContact O-N 3.23Å; D372-T376 PolarHBondContact O-OG1 3.24Å; D372-T376 VanDerWaalsContact O-OG1 3.08Å; Q373-T376 WeakPolarHBondContact CA-OG1 3.49Å; Q373-T376 PolarHBondContact O-N 3.08Å; Q373-T376 PolarHBondContact O-OG1 3.39Å; T376-K378 VanDerWaalsContact C-N 3.33Å; T376-K378 PolarHBondContact O-N 3.22Å; T376-L379 PolarHBondContact O-N 3.4Å; T376-I380 WeakPolarHBondContact O-CD1 3.5Å; T376-I380 WeakPolarHBondContact O-CG1 3.26Å; T376-I380 PolarHBondContact O-N 3.07Å; T376-L396 HydrophobicContact CG2-CD2 4.29Å |
| 377 | E | 39.9 | Very low | 38.8 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 64% | 0.64 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.7 | -37.9 | 176.2 | -80 | -174.1 | 158.2 | 0 | 0 | 111.9 | Q373 I380 S381 | Q373-E377 PolarHBondContact O-N 3.39Å; E377-I380 PolarHBondContact O-N 3.2Å; E377-S381 WeakPolarHBondContact O-CB 3.42Å; E377-S381 PolarHBondContact O-N 3.48Å |
| 378 | K | 42.6 | Very low | 39.7 | Very low | 142 Ų | 142 | 118.8 Ų | 118.8 | 62% | 0.617 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.6 | -38.3 | 176.4 | -156.7 | 172.9 | -172.9 | -177.3 | 0 | 112.2 | M374 T376 S381 D382 | M374-K378 VanDerWaalsContact O-CB 3.28Å; M374-K378 WeakPolarHBondContact O-CB 3.4Å; M374-K378 PolarHBondContact O-N 3.11Å; T376-K378 VanDerWaalsContact C-N 3.33Å; T376-K378 PolarHBondContact O-N 3.22Å; K378-S381 PolarHBondContact O-N 3.29Å; K378-D382 WeakPolarHBondContact O-CB 3.28Å; K378-D382 PolarHBondContact O-N 3.44Å |
| 379 | L | 38.9 | Very low | 40.3 | Very low | 89 Ų | 89 | 113 Ų | 113 | 47% | 0.466 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.9 | -37.5 | 172.9 | -108.1 | 136.5 | 0 | 0 | 0 | 113 | S375 T376 H383 | S375-L379 WeakPolarHBondContact O-CB 3.33Å; S375-L379 PolarHBondContact O-N 3.3Å; S375-L379 VanDerWaalsContact O-N 3.1Å; T376-L379 PolarHBondContact O-N 3.4Å; L379-H383 PolarHBondContact O-N 3.03Å |
| 380 | I | 45.4 | Very low | 41.1 | Very low | 75 Ų | 75 | 106.9 Ų | 106.9 | 39% | 0.385 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.4 | -40.6 | 174.7 | -66.9 | 163.6 | 0 | 0 | 0 | 110.7 | T376 E377 H384 V393 | T376-I380 WeakPolarHBondContact O-CD1 3.5Å; T376-I380 WeakPolarHBondContact O-CG1 3.26Å; T376-I380 PolarHBondContact O-N 3.07Å; E377-I380 PolarHBondContact O-N 3.2Å; I380-H384 PolarHBondContact O-N 2.92Å; I380-V393 HydrophobicContact CD1-CG1 3.95Å; I380-V393 HydrophobicContact CG1-CG1 3.58Å |
| 381 | S | 47.5 | Very low | 41.7 | Very low | 88 Ų | 88 | 108.6 Ų | 108.6 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.2 | -45.3 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 112.3 | E377 K378 H383 | E377-S381 WeakPolarHBondContact O-CB 3.42Å; E377-S381 PolarHBondContact O-N 3.48Å; K378-S381 PolarHBondContact O-N 3.29Å; S381-H383 VanDerWaalsContact C-N 3.33Å; S381-H383 PolarHBondContact O-N 3.16Å |
| 382 | D | 45.5 | Very low | 42.2 | Very low | 114 Ų | 114 | 105.5 Ų | 105.5 | 61% | 0.61 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -76.2 | -19.6 | -174.3 | -71.2 | -15.5 | 0 | 0 | 0 | 113.1 | K378 | K378-D382 WeakPolarHBondContact O-CB 3.28Å; K378-D382 PolarHBondContact O-N 3.44Å |
| 383 | H | 47.5 | Very low | 42.3 | Very low | 75 Ų | 75 | 100.5 Ų | 100.5 | 35% | 0.347 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 26.4 | -174.7 | -80.2 | -74.8 | 0 | 0 | 0 | 115 | L379 S381 Y385 D386 L389 | L379-H383 PolarHBondContact O-N 3.03Å; S381-H383 VanDerWaalsContact C-N 3.33Å; S381-H383 PolarHBondContact O-N 3.16Å; H383-Y385 PolarHBondContact O-N 3.44Å; H383-D386 IonicContact ND1-OD2 3.06Å; H383-D386 PolarHBondContact ND1-OD2 3.37Å; H383-D386 PolarHBondContact O-N 3.07Å; H383-L389 HydrophobicContact CB-CD2 3.74Å |
| 384 | H | 43.9 | Very low | 42.6 | Very low | 148 Ų | 148 | 100.2 Ų | 100.2 | 69% | 0.685 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -8.7 | -176.9 | -160 | 28.1 | 0 | 0 | 0 | 115.4 | I380 | I380-H384 PolarHBondContact O-N 2.92Š|
| 385 | Y | 39.5 | Very low | 43 | Very low | 230 Ų | 230 | 98.8 Ų | 98.8 | 90% | 0.902 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -9.5 | 177 | -77 | -83.9 | 0 | 0 | 0 | 115.2 | H383 | H383-Y385 PolarHBondContact O-N 3.44Š|
| 386 | D | 46.2 | Very low | 42.7 | Very low | 90 Ų | 90 | 99.9 Ų | 99.9 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | trans | -101.9 | 98.2 | 180 | -80.1 | -38.8 | 0 | 0 | 0 | 111 | H383 E388 L389 T390 | H383-D386 IonicContact ND1-OD2 3.06Å; H383-D386 PolarHBondContact ND1-OD2 3.37Å; H383-D386 PolarHBondContact O-N 3.07Å; D386-E388 VanDerWaalsContact C-N 3.29Å; D386-E388 PolarHBondContact O-N 3.03Å; D386-L389 HydrophobicContact CB-CB 4.01Å; D386-L389 PolarHBondContact O-N 3.35Å; D386-T390 PolarHBondContact O-N 3.34Å; D386-T390 PolarHBondContact O-OG1 3.5Å | ||
| 387 | S | 42.6 | Very low | 42.5 | Very low | 92 Ų | 92 | 101.4 Ų | 101.4 | 64% | 0.643 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.9 | -36.4 | -175.1 | 64.4 | 0 | 0 | 0 | 0 | 113.2 | T390 D391 | S387-T390 PolarHBondContact O-N 3.28Å; S387-D391 PolarHBondContact O-N 3.35Å |
| 388 | E | 43 | Very low | 42.4 | Very low | 155 Ų | 155 | 101.4 Ų | 101.4 | 72% | 0.724 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.6 | -32.6 | -179.9 | -68.8 | -169.4 | 160.6 | 0 | 0 | 113.4 | D386 T390 V392 | D386-E388 VanDerWaalsContact C-N 3.29Å; D386-E388 PolarHBondContact O-N 3.03Å; E388-T390 VanDerWaalsContact C-N 3.32Å; E388-V392 WeakPolarHBondContact O-CG2 3.48Å; E388-V392 PolarHBondContact O-N 3.38Å |
| 389 | L | 41.5 | Very low | 42.2 | Very low | 70 Ų | 70 | 99.6 Ų | 99.6 | 37% | 0.366 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.5 | -32.2 | 177.6 | -150.6 | 83.5 | 0 | 0 | 0 | 110.9 | H383 D386 V392 V393 | H383-L389 HydrophobicContact CB-CD2 3.74Å; D386-L389 HydrophobicContact CB-CB 4.01Å; D386-L389 PolarHBondContact O-N 3.35Å; L389-V392 PolarHBondContact O-N 3.02Å; L389-V393 WeakPolarHBondContact O-CB 3.14Å; L389-V393 WeakPolarHBondContact O-CG2 3.41Å; L389-V393 PolarHBondContact O-N 3.37Å |
| 390 | T | 43 | Very low | 42.1 | Very low | 33 Ų | 33 | 98.8 Ų | 98.8 | 20% | 0.202 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 178.4 | -41.4 | 0 | 0 | 0 | 0 | 111.1 | D386 S387 E388 V393 Q394 | D386-T390 PolarHBondContact O-N 3.34Å; D386-T390 PolarHBondContact O-OG1 3.5Å; S387-T390 PolarHBondContact O-N 3.28Å; E388-T390 VanDerWaalsContact C-N 3.32Å; T390-V393 PolarHBondContact O-N 3.38Å; T390-Q394 WeakPolarHBondContact O-CB 3.37Å; T390-Q394 WeakPolarHBondContact O-CG 3.48Å; T390-Q394 PolarHBondContact O-N 3.38Å |
| 391 | D | 43 | Very low | 41.7 | Very low | 98 Ų | 98 | 99.5 Ų | 99.5 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 177.3 | -74.6 | -21.4 | 0 | 0 | 0 | 112.6 | S387 Q394 L395 | S387-D391 PolarHBondContact O-N 3.35Å; D391-Q394 PolarHBondContact O-N 3.07Å; D391-L395 WeakPolarHBondContact O-CD1 3.36Å; D391-L395 WeakPolarHBondContact O-CG 3.45Å; D391-L395 PolarHBondContact O-N 3.19Å |
| 392 | V | 43.7 | Very low | 41.2 | Very low | 93 Ų | 93 | 105.3 Ų | 105.3 | 56% | 0.564 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.4 | -37.3 | 177.1 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | E388 L389 L395 | E388-V392 WeakPolarHBondContact O-CG2 3.48Å; E388-V392 PolarHBondContact O-N 3.38Å; L389-V392 PolarHBondContact O-N 3.02Å; V392-L395 PolarHBondContact O-N 3.02Å |
| 393 | V | 41.8 | Very low | 41.1 | Very low | 20 Ų | 20 | 101.2 Ų | 101.2 | 12% | 0.121 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -76.3 | -30.9 | 178.1 | 175.9 | 0 | 0 | 0 | 0 | 111.9 | I380 L389 T390 L395 L396 P397 | I380-V393 HydrophobicContact CD1-CG1 3.95Å; I380-V393 HydrophobicContact CG1-CG1 3.58Å; L389-V393 WeakPolarHBondContact O-CB 3.14Å; L389-V393 WeakPolarHBondContact O-CG2 3.41Å; L389-V393 PolarHBondContact O-N 3.37Å; T390-V393 PolarHBondContact O-N 3.38Å; V393-L395 PolarHBondContact O-N 3.13Å; V393-L396 WeakPolarHBondContact O-CB 3.24Å; V393-L396 PolarHBondContact O-N 3.42Å; V393-P397 WeakPolarHBondContact O-CD 3.38Å |
| 394 | Q | 41.8 | Very low | 41.1 | Very low | 127 Ų | 127 | 100.5 Ų | 100.5 | 59% | 0.593 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.9 | -20.2 | 170.9 | -80.7 | -172.7 | -6.5 | 0 | 0 | 113.6 | T390 D391 P397 | T390-Q394 WeakPolarHBondContact O-CB 3.37Å; T390-Q394 WeakPolarHBondContact O-CG 3.48Å; T390-Q394 PolarHBondContact O-N 3.38Å; D391-Q394 PolarHBondContact O-N 3.07Å; Q394-P397 WeakPolarHBondContact O-CD 3.23Å |
| 395 | L | 41.9 | Very low | 41.4 | Very low | 102 Ų | 102 | 97.8 Ų | 97.8 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -82 | -18.4 | 172.8 | -75.7 | 159.9 | 0 | 0 | 0 | 113.4 | D391 V392 V393 H398 I399 | D391-L395 WeakPolarHBondContact O-CD1 3.36Å; D391-L395 WeakPolarHBondContact O-CG 3.45Å; D391-L395 PolarHBondContact O-N 3.19Å; V392-L395 PolarHBondContact O-N 3.02Å; V393-L395 PolarHBondContact O-N 3.13Å; L395-H398 WeakPolarHBondContact O-CB 3.5Å; L395-H398 PolarHBondContact O-N 2.95Å; L395-H398 VanDerWaalsContact O-N 3.07Å; L395-I399 WeakPolarHBondContact O-CG1 3.31Å; L395-I399 PolarHBondContact O-N 3.31Å; L395-I399 VanDerWaalsContact O-N 3.16Å |
| 396 | L | 37.7 | Very low | 41.9 | Very low | 76 Ų | 76 | 96.8 Ų | 96.8 | 40% | 0.398 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.6 | -38.8 | -179.8 | -110.7 | 99 | 0 | 0 | 0 | 114.6 | T376 V393 H398 I399 T400 | T376-L396 HydrophobicContact CG2-CD2 4.29Å; V393-L396 WeakPolarHBondContact O-CB 3.24Å; V393-L396 PolarHBondContact O-N 3.42Å; L396-H398 VanDerWaalsContact C-N 3.3Å; L396-H398 PolarHBondContact O-N 3.22Å; L396-I399 PolarHBondContact O-N 3.21Å; L396-T400 PolarHBondContact O-N 3.34Å; L396-T400 PolarHBondContact O-OG1 2.97Å |
| 397 | P | 35.7 | Very low | 42.1 | Very low | 75 Ų | 75 | 99.2 Ų | 99.2 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -35.2 | 172 | -23.9 | 33.2 | 0 | 0 | 0 | 113.4 | V393 Q394 T400 S401 | V393-P397 WeakPolarHBondContact O-CD 3.38Å; Q394-P397 WeakPolarHBondContact O-CD 3.23Å; P397-T400 VanDerWaalsContact CA-OG1 3.26Å; P397-T400 WeakPolarHBondContact CA-OG1 3.37Å; P397-T400 PolarHBondContact O-N 3.35Å; P397-T400 PolarHBondContact O-OG1 2.92Å; P397-T400 VanDerWaalsContact O-OG1 3.07Å; P397-S401 PolarHBondContact O-N 3.45Å; P397-S401 PolarHBondContact O-OG 3.27Å |
| 398 | H | 37.7 | Very low | 42.2 | Very low | 137 Ų | 137 | 97.3 Ų | 97.3 | 63% | 0.634 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.9 | -30.3 | 177.2 | -88.7 | -69.8 | 0 | 0 | 0 | 112.7 | L395 L396 S401 | L395-H398 WeakPolarHBondContact O-CB 3.5Å; L395-H398 PolarHBondContact O-N 2.95Å; L395-H398 VanDerWaalsContact O-N 3.07Å; L396-H398 VanDerWaalsContact C-N 3.3Å; L396-H398 PolarHBondContact O-N 3.22Å; H398-S401 PolarHBondContact O-OG 3.47Å |
| 399 | I | 37.9 | Very low | 42.2 | Very low | 104 Ų | 104 | 96.5 Ų | 96.5 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.3 | -35 | 173.7 | -62 | 168.1 | 0 | 0 | 0 | 110.7 | L395 L396 | L395-I399 WeakPolarHBondContact O-CG1 3.31Å; L395-I399 PolarHBondContact O-N 3.31Å; L395-I399 VanDerWaalsContact O-N 3.16Å; L396-I399 PolarHBondContact O-N 3.21Å |
| 400 | T | 36.6 | Very low | 42.5 | Very low | 73 Ų | 73 | 98.5 Ų | 98.5 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -79.2 | -32.1 | -177.4 | 45.8 | 0 | 0 | 0 | 0 | 113.9 | L396 P397 R402 N403 | L396-T400 PolarHBondContact O-N 3.34Å; L396-T400 PolarHBondContact O-OG1 2.97Å; P397-T400 VanDerWaalsContact CA-OG1 3.26Å; P397-T400 WeakPolarHBondContact CA-OG1 3.37Å; P397-T400 PolarHBondContact O-N 3.35Å; P397-T400 PolarHBondContact O-OG1 2.92Å; P397-T400 VanDerWaalsContact O-OG1 3.07Å; T400-R402 VanDerWaalsContact C-N 3.28Å; T400-R402 PolarHBondContact O-N 3.13Å; T400-N403 WeakPolarHBondContact CA-ND2 3.46Å; T400-N403 WeakPolarHBondContact O-CB 3.48Å; T400-N403 PolarHBondContact O-N 3.45Å; T400-N403 PolarHBondContact O-ND2 3.33Å |
| 401 | S | 37.4 | Very low | 42.7 | Very low | 89 Ų | 89 | 99 Ų | 99 | 62% | 0.622 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.4 | -19.9 | 176.9 | 68.7 | 0 | 0 | 0 | 0 | 114.3 | P397 H398 N403 | P397-S401 PolarHBondContact O-N 3.45Å; P397-S401 PolarHBondContact O-OG 3.27Å; H398-S401 PolarHBondContact O-OG 3.47Å; S401-N403 VanDerWaalsContact C-N 3.26Å; S401-N403 PolarHBondContact O-N 3.11Å |
| 402 | R | 38 | Very low | 43 | Very low | 210 Ų | 210 | 98.5 Ų | 98.5 | 79% | 0.792 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 11.7 | 177.1 | -109.1 | 179.9 | 179.9 | 178.4 | 1.4 | 114.7 | T400 S404 | T400-R402 VanDerWaalsContact C-N 3.28Å; T400-R402 PolarHBondContact O-N 3.13Å; R402-S404 VanDerWaalsContact C-N 3.27Å; R402-S404 PolarHBondContact O-N 2.96Å |
| 403 | N | 43.6 | Very low | 42.9 | Very low | 28 Ų | 28 | 96.7 Ų | 96.7 | 15% | 0.15 | 53% | 0.533 | C | S | . | . | trans | -84.5 | 11.2 | -176.2 | -79.6 | -49.4 | 0 | 0 | 0 | 115.7 | T400 S401 M411 R416 | T400-N403 WeakPolarHBondContact CA-ND2 3.46Å; T400-N403 WeakPolarHBondContact O-CB 3.48Å; T400-N403 PolarHBondContact O-N 3.45Å; T400-N403 PolarHBondContact O-ND2 3.33Å; S401-N403 VanDerWaalsContact C-N 3.26Å; S401-N403 PolarHBondContact O-N 3.11Å; N403-M411 PolarHBondContact O-N 3.13Å; N403-R416 PolarHBondContact ND2-NE 3.11Å; N403-R416 VanDerWaalsContact ND2-NE 3.13Å; N403-R416 PolarHBondContact ND2-NH2 3.26Å; N403-R416 VanDerWaalsContact ND2-NH2 3.19Å; N403-R416 PolarHBondContact OD1-NE 3.47Å | ||
| 404 | S | 46.7 | Very low | 42.8 | Very low | 61 Ų | 61 | 104.4 Ų | 104.4 | 43% | 0.427 | 56% | 0.564 | S | S | . | * | B | Isolated β-bridge | trans | -86.8 | 132.1 | 163.6 | -109.1 | 0 | 0 | 0 | 0 | 109.5 | R402 G408 H409 | R402-S404 VanDerWaalsContact C-N 3.27Å; R402-S404 PolarHBondContact O-N 2.96Å; S404-G408 WeakPolarHBondContact OG-CA 3.33Å; S404-G408 PolarHBondContact OG-O 3.32Å; S404-G408 VanDerWaalsContact OG-O 3.07Å; S404-H409 WeakPolarHBondContact CA-O 3.38Å |
| 405 | N | 50.4 | Low | 42.8 | Very low | 91 Ų | 91 | 100.4 Ų | 100.4 | 49% | 0.487 | 55% | 0.553 | S | S | . | * | trans | -63.4 | 167.8 | 165.7 | -151.5 | 0.4 | 0 | 0 | 0 | 109.5 | N407 G408 H409 M411 | N405-N407 PolarHBondContact O-N 3.37Å; N405-G408 PolarHBondContact O-N 3.22Å; N405-H409 PolarHBondContact N-O 3.33Å; N405-H409 VanDerWaalsContact N-O 3.08Å; N405-M411 HydrophobicContact CB-CE 4.48Å | ||
| 406 | K | 51 | Low | 42.6 | Very low | 209 Ų | 209 | 100.3 Ų | 100.3 | 91% | 0.909 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -15 | -178.2 | -76.6 | -174.1 | 176.3 | -177.7 | 0 | 115.1 | ||
| 407 | N | 48.6 | Very low | 42.6 | Very low | 140 Ų | 140 | 102.2 Ų | 102.2 | 75% | 0.749 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 16.4 | 179.8 | -58.1 | -3.2 | 0 | 0 | 0 | 114.1 | N405 H409 | N405-N407 PolarHBondContact O-N 3.37Å; N407-H409 VanDerWaalsContact C-N 3.33Å; N407-H409 PolarHBondContact O-N 3.49Å |
| 408 | G | 45.1 | Very low | 42.8 | Very low | 52 Ų | 52 | 103 Ų | 103 | 54% | 0.536 | 56% | 0.558 | S | S | . | * | S | Bend | trans | 78.4 | 3.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S404 N405 | S404-G408 WeakPolarHBondContact OG-CA 3.33Å; S404-G408 PolarHBondContact OG-O 3.32Å; S404-G408 VanDerWaalsContact OG-O 3.07Å; N405-G408 PolarHBondContact O-N 3.22Å |
| 409 | H | 43.3 | Very low | 42.7 | Very low | 138 Ų | 138 | 103.3 Ų | 103.3 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 143.1 | 176.7 | -74.6 | -62.6 | 0 | 0 | 0 | 113.5 | S404 N405 N407 | S404-H409 WeakPolarHBondContact CA-O 3.38Å; N405-H409 PolarHBondContact N-O 3.33Å; N405-H409 VanDerWaalsContact N-O 3.08Å; N407-H409 VanDerWaalsContact C-N 3.33Å; N407-H409 PolarHBondContact O-N 3.49Å |
| 410 | P | 47.5 | Very low | 42.8 | Very low | 112 Ų | 112 | 103.5 Ų | 103.5 | 73% | 0.727 | 55% | 0.554 | S | S | * | * | B | Isolated β-bridge | trans | -67.9 | 131.2 | 176.8 | 26 | -31.6 | 0 | 0 | 0 | 111.5 | ||
| 411 | M | 47 | Very low | 42.8 | Very low | 45 Ų | 45 | 106.2 Ų | 106.2 | 22% | 0.222 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -68.3 | 140.9 | 176.9 | -72.9 | -109.6 | -155.1 | 0 | 0 | 112.6 | N403 N405 A415 | N403-M411 PolarHBondContact O-N 3.13Å; N405-M411 HydrophobicContact CB-CE 4.48Å; M411-A415 HydrophobicContact SD-CB 4.2Å |
| 412 | S | 49.7 | Very low | 42.8 | Very low | 87 Ų | 87 | 105.1 Ų | 105.1 | 61% | 0.608 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 143 | 171.3 | 167.9 | 0 | 0 | 0 | 0 | 112 | K414 A415 R416 | S412-K414 PolarHBondContact O-N 3.4Å; S412-K414 VanDerWaalsContact O-N 3.09Å; S412-A415 WeakPolarHBondContact O-CB 3.48Å; S412-A415 PolarHBondContact O-N 3.08Å; S412-R416 PolarHBondContact O-N 3.33Å |
| 413 | G | 42.5 | Very low | 42.8 | Very low | 55 Ų | 55 | 102 Ų | 102 | 57% | 0.567 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -56 | -29.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | M417 | G413-M417 PolarHBondContact O-N 3.23Å |
| 414 | K | 39.1 | Very low | 42.5 | Very low | 182 Ų | 182 | 104.6 Ų | 104.6 | 79% | 0.791 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.3 | -38.2 | 175.4 | -122.1 | 176.2 | -178.9 | 179.9 | 0 | 112.3 | S412 T418 | S412-K414 PolarHBondContact O-N 3.4Å; S412-K414 VanDerWaalsContact O-N 3.09Å; K414-T418 PolarHBondContact O-N 2.92Å; K414-T418 PolarHBondContact O-OG1 2.75Å; K414-T418 VanDerWaalsContact O-OG1 3.07Å |
| 415 | A | 41.1 | Very low | 42 | Very low | 43 Ų | 43 | 108 Ų | 108 | 36% | 0.355 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.8 | -29.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M411 S412 R419 | M411-A415 HydrophobicContact SD-CB 4.2Å; S412-A415 WeakPolarHBondContact O-CB 3.48Å; S412-A415 PolarHBondContact O-N 3.08Å; A415-R419 PolarHBondContact O-N 3.28Å |
| 416 | R | 38.2 | Very low | 41.2 | Very low | 100 Ų | 100 | 106.7 Ų | 106.7 | 38% | 0.377 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62 | -47 | 172.6 | -98.2 | -179.5 | 175.6 | 180 | 0.6 | 112.2 | N403 S412 R419 I420 | N403-R416 PolarHBondContact ND2-NE 3.11Å; N403-R416 VanDerWaalsContact ND2-NE 3.13Å; N403-R416 PolarHBondContact ND2-NH2 3.26Å; N403-R416 VanDerWaalsContact ND2-NH2 3.19Å; N403-R416 PolarHBondContact OD1-NE 3.47Å; S412-R416 PolarHBondContact O-N 3.33Å; R416-R419 PolarHBondContact O-N 2.87Å; R416-I420 WeakPolarHBondContact O-CG1 3.31Å; R416-I420 PolarHBondContact O-N 3.22Å |
| 417 | M | 37.5 | Very low | 40.7 | Very low | 115 Ų | 115 | 102.8 Ų | 102.8 | 57% | 0.567 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.9 | -42.3 | -179 | -90.4 | -169.4 | 177.5 | 0 | 0 | 112.9 | P356 G413 R419 I420 Q421 | P356-M417 HydrophobicContact CG-CE 4.17Å; G413-M417 PolarHBondContact O-N 3.23Å; M417-R419 VanDerWaalsContact C-N 3.28Å; M417-R419 PolarHBondContact O-N 3.11Å; M417-I420 PolarHBondContact O-N 3.04Å; M417-Q421 PolarHBondContact O-N 2.95Å |
| 418 | T | 40.6 | Very low | 40.2 | Very low | 93 Ų | 93 | 99.7 Ų | 99.7 | 57% | 0.571 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.8 | -34.1 | -179.1 | -43.8 | 0 | 0 | 0 | 0 | 112.3 | K414 S422 | K414-T418 PolarHBondContact O-N 2.92Å; K414-T418 PolarHBondContact O-OG1 2.75Å; K414-T418 VanDerWaalsContact O-OG1 3.07Å; T418-S422 PolarHBondContact O-N 2.87Å; T418-S422 VanDerWaalsContact O-N 3.1Å |
| 419 | R | 36.1 | Very low | 39.6 | Very low | 142 Ų | 142 | 100.9 Ų | 100.9 | 54% | 0.536 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -78.1 | -31.6 | 179.2 | -171.3 | 179 | -92.4 | -178.1 | -6.6 | 113.3 | A415 R416 M417 Q421 S422 F423 | A415-R419 PolarHBondContact O-N 3.28Å; R416-R419 PolarHBondContact O-N 2.87Å; M417-R419 VanDerWaalsContact C-N 3.28Å; M417-R419 PolarHBondContact O-N 3.11Å; R419-Q421 VanDerWaalsContact C-N 3.34Å; R419-S422 WeakPolarHBondContact CA-OG 3.25Å; R419-S422 PolarHBondContact O-N 3.18Å; R419-S422 PolarHBondContact O-OG 3.45Å; R419-F423 PolarHBondContact O-N 3.25Å |
| 420 | I | 39 | Very low | 39.4 | Very low | 109 Ų | 109 | 101 Ų | 101 | 56% | 0.559 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.2 | -39.6 | 171.3 | -67.1 | 167.8 | 0 | 0 | 0 | 109.9 | R416 M417 F423 A424 | R416-I420 WeakPolarHBondContact O-CG1 3.31Å; R416-I420 PolarHBondContact O-N 3.22Å; M417-I420 PolarHBondContact O-N 3.04Å; I420-F423 PolarHBondContact O-N 3.04Å; I420-A424 PolarHBondContact O-N 3.46Å; I420-A424 VanDerWaalsContact O-N 3.13Å |
| 421 | Q | 36.2 | Very low | 38.7 | Very low | 130 Ų | 130 | 99.6 Ų | 99.6 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.5 | -37.7 | 174.1 | -98.3 | 175.7 | -34 | 0 | 0 | 113.6 | M417 R419 F423 A424 N425 | M417-Q421 PolarHBondContact O-N 2.95Å; R419-Q421 VanDerWaalsContact C-N 3.34Å; Q421-F423 VanDerWaalsContact C-N 3.31Å; Q421-F423 PolarHBondContact O-N 3.09Å; Q421-A424 PolarHBondContact O-N 3.28Å; Q421-N425 PolarHBondContact O-N 3.43Å |
| 422 | S | 38.2 | Very low | 38.1 | Very low | 65 Ų | 65 | 102 Ų | 102 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.8 | -31.2 | 176 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | T418 R419 N425 S426 | T418-S422 PolarHBondContact O-N 2.87Å; T418-S422 VanDerWaalsContact O-N 3.1Å; R419-S422 WeakPolarHBondContact CA-OG 3.25Å; R419-S422 PolarHBondContact O-N 3.18Å; R419-S422 PolarHBondContact O-OG 3.45Å; S422-N425 PolarHBondContact O-N 3.48Å; S422-S426 PolarHBondContact O-OG 3.05Å |
| 423 | F | 36.6 | Very low | 37.4 | Very low | 145 Ų | 145 | 102.5 Ų | 102.5 | 64% | 0.636 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.9 | -37 | 176 | -121.8 | -87.2 | 0 | 0 | 0 | 112.1 | R419 I420 Q421 N425 | R419-F423 PolarHBondContact O-N 3.25Å; I420-F423 PolarHBondContact O-N 3.04Å; Q421-F423 VanDerWaalsContact C-N 3.31Å; Q421-F423 PolarHBondContact O-N 3.09Å; F423-N425 VanDerWaalsContact C-N 3.27Å; F423-N425 PolarHBondContact O-N 3.41Å |
| 424 | A | 38.4 | Very low | 36.9 | Very low | 82 Ų | 82 | 107.6 Ų | 107.6 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.9 | -27.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | I420 Q421 | I420-A424 PolarHBondContact O-N 3.46Å; I420-A424 VanDerWaalsContact O-N 3.13Å; Q421-A424 PolarHBondContact O-N 3.28Å |
| 425 | N | 35.9 | Very low | 36.5 | Very low | 134 Ų | 134 | 102.4 Ų | 102.4 | 72% | 0.717 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 1 | -177.3 | -71.5 | -9.9 | 0 | 0 | 0 | 114.4 | Q421 S422 F423 | Q421-N425 PolarHBondContact O-N 3.43Å; S422-N425 PolarHBondContact O-N 3.48Å; F423-N425 VanDerWaalsContact C-N 3.27Å; F423-N425 PolarHBondContact O-N 3.41Å |
| 426 | S | 34.7 | Very low | 35.9 | Very low | 63 Ų | 63 | 106.4 Ų | 106.4 | 44% | 0.441 | 59% | 0.588 | S | S | . | * | trans | -129.8 | 94.1 | 177.4 | 47.6 | 0 | 0 | 0 | 0 | 110.2 | S422 Q428 | S422-S426 PolarHBondContact O-OG 3.05Å; S426-Q428 PolarHBondContact O-N 3.34Å | ||
| 427 | P | 38.5 | Very low | 35.7 | Very low | 126 Ų | 126 | 106 Ų | 106 | 82% | 0.818 | 60% | 0.596 | S | S | * | * | trans | -74.5 | 96.3 | 176.8 | 30.5 | -28.9 | 0 | 0 | 0 | 107.5 | S429 | P427-S429 PolarHBondContact O-N 3.22Š| ||
| 428 | Q | 38.5 | Very low | 35.5 | Very low | 76 Ų | 76 | 103.4 Ų | 103.4 | 36% | 0.355 | 59% | 0.59 | S | S | . | * | trans | -65.1 | 119.5 | 164.1 | -72.3 | -161.2 | -43.8 | 0 | 0 | 107.8 | S426 Y430 V439 | S426-Q428 PolarHBondContact O-N 3.34Å; Q428-Y430 WeakPolarHBondContact O-CD2 3.49Å; Q428-Y430 VanDerWaalsContact O-CE2 3.23Å; Q428-Y430 WeakPolarHBondContact O-CE2 3.46Å; Q428-Y430 PolarHBondContact O-N 3.1Å; Q428-V439 HydrophobicContact CB-CG1 4.4Å | ||
| 429 | S | 33.8 | Very low | 35.4 | Very low | 77 Ų | 77 | 102.6 Ų | 102.6 | 54% | 0.538 | 59% | 0.585 | S | S | . | * | trans | -68.2 | 112.8 | 173.9 | 42 | 0 | 0 | 0 | 0 | 109.1 | P427 S440 | P427-S429 PolarHBondContact O-N 3.22Å; S429-S440 PolarHBondContact OG-OG 3.47Å | ||
| 430 | Y | 38.5 | Very low | 35.6 | Very low | 141 Ų | 141 | 98.7 Ų | 98.7 | 55% | 0.553 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87 | 125.9 | 171.9 | -60.5 | -88.1 | 0 | 0 | 0 | 108.9 | Q428 V437 V439 | Q428-Y430 WeakPolarHBondContact O-CD2 3.49Å; Q428-Y430 VanDerWaalsContact O-CE2 3.23Å; Q428-Y430 WeakPolarHBondContact O-CE2 3.46Å; Q428-Y430 PolarHBondContact O-N 3.1Å; Y430-V437 HydrophobicContact CD1-CG1 3.99Å; Y430-V439 HydrophobicContact CD1-CG2 4.03Å; Y430-V439 HydrophobicContact CE1-CG2 3.76Å |
| 431 | T | 32.7 | Very low | 35.7 | Very low | 81 Ų | 81 | 101.6 Ų | 101.6 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.2 | 171.7 | 10.4 | 0 | 0 | 0 | 0 | 109.1 | S438 | T431-S438 PolarHBondContact O-N 2.86Å |
| 432 | V | 34.6 | Very low | 35.6 | Very low | 96 Ų | 96 | 100.2 Ų | 100.2 | 58% | 0.582 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 115.1 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | V437 | V432-V437 HydrophobicContact CG2-CG2 3.85Å |
| 433 | T | 34 | Very low | 35.5 | Very low | 97 Ų | 97 | 102.1 Ų | 102.1 | 60% | 0.595 | 62% | 0.618 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.7 | 173.2 | -36.1 | 0 | 0 | 0 | 0 | 108.3 | G435 I436 | T433-G435 VanDerWaalsContact C-N 3.31Å; T433-G435 PolarHBondContact O-N 3.43Å; T433-I436 PolarHBondContact O-N 3.46Å |
| 434 | N | 32.9 | Very low | 35.4 | Very low | 163 Ų | 163 | 99.7 Ų | 99.7 | 87% | 0.872 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.9 | 38.1 | -177.8 | -63.2 | -15 | 0 | 0 | 0 | 115.3 | I436 | N434-I436 VanDerWaalsContact C-N 3.27Å; N434-I436 PolarHBondContact O-N 2.97Å |
| 435 | G | 31 | Very low | 35.3 | Very low | 73 Ų | 73 | 100.7 Ų | 100.7 | 75% | 0.753 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.5 | 8.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T433 | T433-G435 VanDerWaalsContact C-N 3.31Å; T433-G435 PolarHBondContact O-N 3.43Å |
| 436 | I | 27.2 | Very low | 35.2 | Very low | 126 Ų | 126 | 98.6 Ų | 98.6 | 65% | 0.646 | 61% | 0.606 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.7 | 171.9 | -57.2 | 177.7 | 0 | 0 | 0 | 108.2 | T433 N434 | T433-I436 PolarHBondContact O-N 3.46Å; N434-I436 VanDerWaalsContact C-N 3.27Å; N434-I436 PolarHBondContact O-N 2.97Å |
| 437 | V | 35.4 | Very low | 35.2 | Very low | 91 Ų | 91 | 101 Ų | 101 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.3 | 173.9 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | Y430 V432 | Y430-V437 HydrophobicContact CD1-CG1 3.99Å; V432-V437 HydrophobicContact CG2-CG2 3.85Å |
| 438 | S | 31.9 | Very low | 35 | Very low | 62 Ų | 62 | 99.2 Ų | 99.2 | 43% | 0.434 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 143.2 | 172.2 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | T431 | T431-S438 PolarHBondContact O-N 2.86Å |
| 439 | V | 39.7 | Very low | 34.7 | Very low | 76 Ų | 76 | 101 Ų | 101 | 46% | 0.461 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.8 | 116.3 | 176.5 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | Q428 Y430 S441 | Q428-V439 HydrophobicContact CB-CG1 4.4Å; Y430-V439 HydrophobicContact CD1-CG2 4.03Å; Y430-V439 HydrophobicContact CE1-CG2 3.76Å; V439-S441 PolarHBondContact O-N 3.07Å |
| 440 | S | 40.2 | Very low | 34.8 | Very low | 60 Ų | 60 | 103 Ų | 103 | 42% | 0.42 | 63% | 0.629 | S | S | . | * | trans | -73.8 | 115.1 | 168.5 | 61.8 | 0 | 0 | 0 | 0 | 108.6 | S429 | S429-S440 PolarHBondContact OG-OG 3.47Š| ||
| 441 | S | 40 | Very low | 34.5 | Very low | 170 Ų | 170 | 99.5 Ų | 99.5 | 100% | 1.189 | 64% | 0.636 | S | S | * | * | trans | -67.1 | 0 | 174.3 | 57.2 | 0 | 0 | 0 | 0 | 112.4 | V439 | V439-S441 PolarHBondContact O-N 3.07Š|
Retrieved 441 of 441 residues in 189.2 ms
(Link to these results)