| 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 | 42 | Very low | 40.8 | Very low | 238 Ų | 238 | 137.5 Ų | 137.5 | 100% | 1.172 | 77% | 0.77 | S | S | * | * | 0 | 129.2 | 0 | -67.7 | 167.7 | 179.5 | 0 | 0 | 107.2 | L3 | M1-L3 PolarHBondContact O-N 2.92Å; M1-L3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | S | 45.6 | Very low | 40.6 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -76.6 | 93.5 | 172.5 | 51.7 | 0 | 0 | 0 | 0 | 108.6 | S4 | S2-S4 VanDerWaalsContact C-N 3.3Å; S2-S4 PolarHBondContact O-N 3.44Å | ||
| 3 | L | 46.6 | Very low | 40.6 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -66.6 | 96.7 | 164.4 | -77.4 | 158.6 | 0 | 0 | 0 | 106.8 | M1 | M1-L3 PolarHBondContact O-N 2.92Å; M1-L3 VanDerWaalsContact O-N 3.1Å | ||
| 4 | S | 40.6 | Very low | 41.1 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 130.1 | 156.8 | 49 | 0 | 0 | 0 | 0 | 106.7 | S2 | S2-S4 VanDerWaalsContact C-N 3.3Å; S2-S4 PolarHBondContact O-N 3.44Å |
| 5 | P | 42.5 | Very low | 41.7 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 137.9 | 176.3 | 22.9 | -32.8 | 0 | 0 | 0 | 108.3 | ||
| 6 | P | 38.7 | Very low | 42.4 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 60% | 0.597 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 138.1 | 179.4 | 22.8 | -33 | 0 | 0 | 0 | 108.1 | L8 | P6-L8 PolarHBondContact O-N 3.15Š|
| 7 | P | 40.2 | Very low | 43.3 | Very low | 104 Ų | 104 | 124 Ų | 124 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 121.2 | -171.4 | 22 | -33.4 | 0 | 0 | 0 | 108.2 | F9 | P7-F9 VanDerWaalsContact C-N 3.33Å; P7-F9 WeakPolarHBondContact O-CA 2.96Å; P7-F9 PolarHBondContact O-N 2.79Å |
| 8 | L | 40.1 | Very low | 43.9 | Very low | 151 Ų | 151 | 122.7 Ų | 122.7 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | trans | -44.1 | 98.9 | -178.9 | -107.8 | 155 | 0 | 0 | 0 | 108.1 | P6 N10 L11 | P6-L8 PolarHBondContact O-N 3.15Å; L8-N10 PolarHBondContact O-N 2.8Å; L8-L11 HydrophobicContact CD2-CD1 4.39Å | ||
| 9 | F | 39.3 | Very low | 44.5 | Very low | 193 Ų | 193 | 119.8 Ų | 119.8 | 85% | 0.846 | 68% | 0.679 | S | S | * | * | trans | -72 | 105.3 | -155.8 | -144.2 | -84.2 | 0 | 0 | 0 | 107.4 | P7 L11 | P7-F9 VanDerWaalsContact C-N 3.33Å; P7-F9 WeakPolarHBondContact O-CA 2.96Å; P7-F9 PolarHBondContact O-N 2.79Å; F9-L11 PolarHBondContact O-N 2.78Å | ||
| 10 | N | 33.6 | Very low | 45.3 | Very low | 124 Ų | 124 | 114.2 Ų | 114.2 | 66% | 0.663 | 65% | 0.648 | S | S | * | * | trans | -10.3 | 87.3 | -168.6 | -71.2 | -24.9 | 0 | 0 | 0 | 115 | L8 D12 Q13 | L8-N10 PolarHBondContact O-N 2.8Å; N10-D12 HydrophobicContact CB-CB 4.39Å; N10-D12 PolarHBondContact O-N 2.74Å; N10-Q13 PolarHBondContact O-N 3.34Å | ||
| 11 | L | 39.3 | Very low | 46 | Very low | 125 Ų | 125 | 112.6 Ų | 112.6 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -6.7 | 164.9 | -93.1 | 158.8 | 0 | 0 | 0 | 112.2 | L8 F9 Q13 | L8-L11 HydrophobicContact CD2-CD1 4.39Å; F9-L11 PolarHBondContact O-N 2.78Å; L11-Q13 PolarHBondContact O-N 3.27Å |
| 12 | D | 38.2 | Very low | 46.6 | Very low | 150 Ų | 150 | 106.2 Ų | 106.2 | 80% | 0.802 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -7.3 | 169.9 | -77.1 | -10.2 | 0 | 0 | 0 | 115 | N10 G14 | N10-D12 HydrophobicContact CB-CB 4.39Å; N10-D12 PolarHBondContact O-N 2.74Å; D12-G14 PolarHBondContact O-N 3.27Å |
| 13 | Q | 41.8 | Very low | 47.4 | Very low | 160 Ų | 160 | 101.4 Ų | 101.4 | 75% | 0.748 | 57% | 0.571 | S | S | * | * | trans | -92.9 | 80 | 159 | -67.5 | -162.7 | 3.2 | 0 | 0 | 110.5 | N10 L11 S15 | N10-Q13 PolarHBondContact O-N 3.34Å; L11-Q13 PolarHBondContact O-N 3.27Å; Q13-S15 PolarHBondContact O-N 3.32Å; Q13-S15 PolarHBondContact O-OG 3.26Å | ||
| 14 | G | 47.1 | Very low | 48.3 | Very low | 64 Ų | 64 | 95.6 Ų | 95.6 | 66% | 0.66 | 54% | 0.541 | S | S | * | . | trans | -65 | 43 | 162.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D12 W16 | D12-G14 PolarHBondContact O-N 3.27Å; G14-W16 PolarHBondContact O-N 3.41Å | ||
| 15 | S | 49.6 | Very low | 49.2 | Very low | 93 Ų | 93 | 94.5 Ų | 94.5 | 65% | 0.65 | 53% | 0.532 | S | S | * | . | trans | -69.9 | 107.9 | 169.2 | 56.2 | 0 | 0 | 0 | 0 | 107.9 | Q13 S17 | Q13-S15 PolarHBondContact O-N 3.32Å; Q13-S15 PolarHBondContact O-OG 3.26Å; S15-S17 PolarHBondContact O-N 3.41Å | ||
| 16 | W | 53 | Low | 50 | Low | 102 Ų | 102 | 93 Ų | 93 | 39% | 0.386 | 52% | 0.518 | S | S | . | . | trans | -57.9 | 134.2 | 170.6 | -64.2 | 73.5 | 0 | 0 | 0 | 108.3 | G14 A20 I21 I24 I135 C138 | G14-W16 PolarHBondContact O-N 3.41Å; W16-A20 HydrophobicContact CE3-CB 4.15Å; W16-I21 HydrophobicContact CB-CD1 4.12Å; W16-I21 HydrophobicContact CB-CG1 3.6Å; W16-I24 HydrophobicContact CD2-CD1 4.12Å; W16-I24 HydrophobicContact CE3-CD1 3.45Å; W16-I24 VanDerWaalsContact CE3-CD1 3.45Å; W16-I24 HydrophobicContact CH2-CD1 4.05Å; W16-I24 HydrophobicContact CZ3-CD1 3.43Å; W16-I24 VanDerWaalsContact CZ3-CD1 3.43Å; W16-I135 HydrophobicContact CH2-CG2 4.38Å; W16-C138 HydrophobicContact CZ3-CB 3.99Å | ||
| 17 | S | 58.1 | Low | 51.1 | Low | 26 Ų | 26 | 88.9 Ų | 88.9 | 18% | 0.182 | 49% | 0.491 | C | S | . | . | trans | -58.5 | 146.3 | 176.2 | 71.9 | 0 | 0 | 0 | 0 | 109.3 | S15 I19 A20 I21 | S15-S17 PolarHBondContact O-N 3.41Å; S17-I19 PolarHBondContact O-N 3.34Å; S17-A20 WeakPolarHBondContact O-CA 3.29Å; S17-A20 WeakPolarHBondContact O-CB 3.21Å; S17-A20 PolarHBondContact O-N 3.37Å; S17-A20 WeakPolarHBondContact OG-CB 3.03Å; S17-A20 PolarHBondContact OG-N 2.62Å; S17-I21 PolarHBondContact O-N 3.44Å | ||
| 18 | P | 53.8 | Low | 52.1 | Low | 100 Ų | 100 | 86.1 Ų | 86.1 | 65% | 0.649 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -54.8 | -29.1 | 179 | -28 | 35.4 | 0 | 0 | 0 | 113 | N22 | P18-N22 WeakPolarHBondContact O-CB 3.05Å; P18-N22 VanDerWaalsContact O-CG 3.25Å; P18-N22 PolarHBondContact O-N 2.85Å; P18-N22 PolarHBondContact O-ND2 3.23Å |
| 19 | I | 55.5 | Low | 52.9 | Low | 68 Ų | 68 | 84 Ų | 84 | 35% | 0.349 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.7 | -47.5 | 172.7 | -60.9 | 172.1 | 0 | 0 | 0 | 111 | S17 N22 M23 V80 | S17-I19 PolarHBondContact O-N 3.34Å; I19-N22 PolarHBondContact O-N 3.42Å; I19-M23 WeakPolarHBondContact O-CB 3.05Å; I19-M23 PolarHBondContact O-N 3.47Å; I19-V80 HydrophobicContact CD1-CG1 4Å |
| 20 | A | 59.9 | Low | 53.9 | Low | 7 Ų | 7 | 75.9 Ų | 75.9 | 6% | 0.058 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | W16 S17 M23 I24 | W16-A20 HydrophobicContact CE3-CB 4.15Å; S17-A20 WeakPolarHBondContact O-CA 3.29Å; S17-A20 WeakPolarHBondContact O-CB 3.21Å; S17-A20 PolarHBondContact O-N 3.37Å; S17-A20 WeakPolarHBondContact OG-CB 3.03Å; S17-A20 PolarHBondContact OG-N 2.62Å; A20-M23 WeakPolarHBondContact O-CB 3.42Å; A20-M23 PolarHBondContact O-N 2.85Å; A20-I24 WeakPolarHBondContact O-CD1 3.39Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.1Å; A20-I24 PolarHBondContact O-N 3.24Å |
| 21 | I | 60 | Low | 55.2 | Low | 82 Ų | 82 | 71.7 Ų | 71.7 | 42% | 0.421 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -50.7 | 173.8 | -60.9 | 174.5 | 0 | 0 | 0 | 110.3 | W16 S17 M23 I24 C25 | W16-I21 HydrophobicContact CB-CD1 4.12Å; W16-I21 HydrophobicContact CB-CG1 3.6Å; S17-I21 PolarHBondContact O-N 3.44Å; I21-M23 VanDerWaalsContact C-N 3.28Å; I21-M23 PolarHBondContact O-N 3.12Å; I21-I24 PolarHBondContact O-N 3.16Å; I21-I24 VanDerWaalsContact O-N 3.14Å; I21-C25 PolarHBondContact O-N 3.19Å; I21-C25 PolarHBondContact O-SG 3.31Å; I21-C25 VanDerWaalsContact O-SG 3.35Å |
| 22 | N | 56.3 | Low | 56 | Low | 103 Ų | 103 | 73.7 Ų | 73.7 | 55% | 0.551 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58 | -40.7 | 177 | -76.6 | -22 | 0 | 0 | 0 | 112.1 | P18 I19 C25 L26 | P18-N22 WeakPolarHBondContact O-CB 3.05Å; P18-N22 VanDerWaalsContact O-CG 3.25Å; P18-N22 PolarHBondContact O-N 2.85Å; P18-N22 PolarHBondContact O-ND2 3.23Å; I19-N22 PolarHBondContact O-N 3.42Å; N22-C25 PolarHBondContact O-N 2.68Å; N22-L26 WeakPolarHBondContact O-CB 3.35Å; N22-L26 VanDerWaalsContact O-CG 3.27Å; N22-L26 WeakPolarHBondContact O-CG 3.33Å; N22-L26 PolarHBondContact O-N 2.88Å |
| 23 | M | 61.7 | Low | 56.6 | Low | 23 Ų | 23 | 69.3 Ų | 69.3 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 173.8 | -90.7 | -163.3 | -173.8 | 0 | 0 | 112.5 | I19 A20 I21 L26 E27 Y73 N84 F134 | I19-M23 WeakPolarHBondContact O-CB 3.05Å; I19-M23 PolarHBondContact O-N 3.47Å; A20-M23 WeakPolarHBondContact O-CB 3.42Å; A20-M23 PolarHBondContact O-N 2.85Å; I21-M23 VanDerWaalsContact C-N 3.28Å; I21-M23 PolarHBondContact O-N 3.12Å; M23-L26 PolarHBondContact O-N 2.79Å; M23-E27 PolarHBondContact O-N 2.94Å; M23-Y73 HydrophobicContact CE-CD1 4.41Å; M23-Y73 HydrophobicContact CE-CD2 4.15Å; M23-Y73 HydrophobicContact CE-CE1 4Å; M23-Y73 HydrophobicContact CE-CE2 3.76Å; M23-Y73 HydrophobicContact CE-CG 4.5Å; M23-N84 WeakPolarHBondContact CE-OD1 3.28Å; M23-F134 HydrophobicContact CB-CE1 3.95Å; M23-F134 HydrophobicContact CB-CZ 3.78Å; M23-F134 HydrophobicContact CG-CZ 4.18Å; M23-F134 HydrophobicContact SD-CZ 3.93Å |
| 24 | I | 64.4 | Low | 57.4 | Low | 35 Ų | 35 | 62.1 Ų | 62.1 | 18% | 0.179 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.5 | -67 | 159.4 | 0 | 0 | 0 | 111 | W16 A20 I21 L26 E27 A28 F131 F134 | W16-I24 HydrophobicContact CD2-CD1 4.12Å; W16-I24 HydrophobicContact CE3-CD1 3.45Å; W16-I24 VanDerWaalsContact CE3-CD1 3.45Å; W16-I24 HydrophobicContact CH2-CD1 4.05Å; W16-I24 HydrophobicContact CZ3-CD1 3.43Å; W16-I24 VanDerWaalsContact CZ3-CD1 3.43Å; A20-I24 WeakPolarHBondContact O-CD1 3.39Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.1Å; A20-I24 PolarHBondContact O-N 3.24Å; I21-I24 PolarHBondContact O-N 3.16Å; I21-I24 VanDerWaalsContact O-N 3.14Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.39Å; I24-E27 PolarHBondContact O-N 2.73Å; I24-A28 VanDerWaalsContact O-CB 3.26Å; I24-A28 WeakPolarHBondContact O-CB 3.13Å; I24-A28 PolarHBondContact O-N 3Å; I24-F131 HydrophobicContact CG2-CE2 4.38Å; I24-F131 HydrophobicContact CG2-CZ 4.45Å; I24-F134 HydrophobicContact CG1-CE1 4.41Å |
| 25 | C | 60.4 | Low | 57.7 | Low | 71 Ų | 71 | 62.4 Ų | 62.4 | 48% | 0.48 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 175.8 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | I21 N22 L29 | I21-C25 PolarHBondContact O-N 3.19Å; I21-C25 PolarHBondContact O-SG 3.31Å; I21-C25 VanDerWaalsContact O-SG 3.35Å; N22-C25 PolarHBondContact O-N 2.68Å; C25-L29 WeakPolarHBondContact O-CB 3.27Å; C25-L29 PolarHBondContact O-N 3.31Å |
| 26 | L | 59.7 | Low | 57.7 | Low | 81 Ų | 81 | 61.1 Ų | 61.1 | 42% | 0.424 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65 | -44 | 175.2 | -74.8 | 167.8 | 0 | 0 | 0 | 112.1 | N22 M23 I24 L29 Q30 I88 | N22-L26 WeakPolarHBondContact O-CB 3.35Å; N22-L26 VanDerWaalsContact O-CG 3.27Å; N22-L26 WeakPolarHBondContact O-CG 3.33Å; N22-L26 PolarHBondContact O-N 2.88Å; M23-L26 PolarHBondContact O-N 2.79Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.39Å; L26-L29 PolarHBondContact O-N 3.47Å; L26-Q30 WeakPolarHBondContact O-CB 3.43Å; L26-Q30 PolarHBondContact O-N 2.96Å; L26-I88 HydrophobicContact CD1-CG1 4.3Å |
| 27 | E | 61.1 | Low | 57.5 | Low | 5 Ų | 5 | 56.8 Ų | 56.8 | 2% | 0.023 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 175.7 | -101 | -76.4 | 167.4 | 0 | 0 | 112.7 | M23 I24 Q30 T31 R130 F134 | M23-E27 PolarHBondContact O-N 2.94Å; I24-E27 PolarHBondContact O-N 2.73Å; E27-Q30 PolarHBondContact O-N 3.27Å; E27-T31 WeakPolarHBondContact O-CB 3.37Å; E27-T31 PolarHBondContact O-N 3.49Å; E27-T31 PolarHBondContact O-OG1 3.39Å; E27-R130 VanDerWaalsContact CD-NE 3.32Å; E27-R130 IonicContact OE1-CZ 3.25Å; E27-R130 IonicContact OE1-NE 3Å; E27-R130 PolarHBondContact OE1-NE 3.22Å; E27-R130 IonicContact OE1-NH2 2.69Å; E27-R130 IonicContact OE2-CZ 3.27Å; E27-R130 VanDerWaalsContact OE2-CZ 3.25Å; E27-R130 IonicContact OE2-NE 2.85Å; E27-R130 PolarHBondContact OE2-NE 3.02Å; E27-R130 IonicContact OE2-NH2 3.76Å; E27-R130 PolarHBondContact OE2-NH2 3.17Å; E27-F134 HydrophobicContact CB-CD1 4.17Å; E27-F134 HydrophobicContact CB-CE1 4.15Å; E27-F134 HydrophobicContact CG-CD1 3.77Å; E27-F134 HydrophobicContact CG-CD2 4.06Å; E27-F134 HydrophobicContact CG-CE1 3.76Å; E27-F134 HydrophobicContact CG-CE2 4.08Å; E27-F134 HydrophobicContact CG-CG 3.9Å; E27-F134 HydrophobicContact CG-CZ 3.91Å |
| 28 | A | 61.5 | Low | 57.1 | Low | 46 Ų | 46 | 57.4 Ų | 57.4 | 38% | 0.38 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I24 T31 W32 F131 | I24-A28 VanDerWaalsContact O-CB 3.26Å; I24-A28 WeakPolarHBondContact O-CB 3.13Å; I24-A28 PolarHBondContact O-N 3Å; A28-T31 PolarHBondContact O-N 2.92Å; A28-W32 WeakPolarHBondContact O-CB 3.46Å; A28-W32 PolarHBondContact O-N 3.47Å; A28-F131 HydrophobicContact CB-CE2 4.42Å |
| 29 | L | 56.6 | Low | 57 | Low | 106 Ų | 106 | 54.4 Ų | 54.4 | 56% | 0.555 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -68.3 | -37.5 | 176.8 | -166.4 | 151.9 | 0 | 0 | 0 | 111.3 | C25 L26 W32 Y33 | C25-L29 WeakPolarHBondContact O-CB 3.27Å; C25-L29 PolarHBondContact O-N 3.31Å; L26-L29 PolarHBondContact O-N 3.47Å; L29-W32 PolarHBondContact O-N 3.23Å; L29-Y33 VanDerWaalsContact O-CB 3.28Å; L29-Y33 WeakPolarHBondContact O-CB 3.25Å; L29-Y33 PolarHBondContact O-N 2.97Å |
| 30 | Q | 60 | Low | 56.7 | Low | 22 Ų | 22 | 52.8 Ų | 52.8 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -42 | 171.3 | -175.2 | 176.8 | -71.7 | 0 | 0 | 111.4 | L26 E27 Y33 Q34 | L26-Q30 WeakPolarHBondContact O-CB 3.43Å; L26-Q30 PolarHBondContact O-N 2.96Å; E27-Q30 PolarHBondContact O-N 3.27Å; Q30-Y33 PolarHBondContact O-N 3.37Å; Q30-Q34 WeakPolarHBondContact O-CB 3.35Å; Q30-Q34 VanDerWaalsContact O-CG 3.25Å; Q30-Q34 WeakPolarHBondContact O-CG 3.48Å; Q30-Q34 PolarHBondContact O-N 3.03Å |
| 31 | T | 61.3 | Low | 56.2 | Low | 37 Ų | 37 | 52.6 Ų | 52.6 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.8 | -38.5 | 178.3 | -58.1 | 0 | 0 | 0 | 0 | 112 | E27 A28 Q34 S35 Q127 R130 | E27-T31 WeakPolarHBondContact O-CB 3.37Å; E27-T31 PolarHBondContact O-N 3.49Å; E27-T31 PolarHBondContact O-OG1 3.39Å; A28-T31 PolarHBondContact O-N 2.92Å; T31-Q34 PolarHBondContact O-N 2.99Å; T31-S35 PolarHBondContact O-N 3.48Å; T31-Q127 HydrophobicContact CG2-CB 4.21Å; T31-R130 PolarHBondContact OG1-NH2 3.34Å; T31-R130 VanDerWaalsContact OG1-NH2 3.1Å |
| 32 | W | 56.6 | Low | 55.6 | Low | 166 Ų | 166 | 55.5 Ų | 55.5 | 63% | 0.629 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.8 | -45.1 | 170.9 | 177.2 | 83.4 | 0 | 0 | 0 | 111.9 | A28 L29 Q34 S35 V36 | A28-W32 WeakPolarHBondContact O-CB 3.46Å; A28-W32 PolarHBondContact O-N 3.47Å; L29-W32 PolarHBondContact O-N 3.23Å; W32-Q34 VanDerWaalsContact C-N 3.27Å; W32-Q34 PolarHBondContact O-N 3.07Å; W32-S35 PolarHBondContact O-N 3.09Å; W32-S35 PolarHBondContact O-OG 3.39Å; W32-V36 HydrophobicContact CD2-CG2 4.2Å; W32-V36 HydrophobicContact CH2-CG2 4.41Å; W32-V36 HydrophobicContact CZ2-CG2 3.93Å; W32-V36 WeakPolarHBondContact O-CG2 3.43Å; W32-V36 PolarHBondContact O-N 2.82Å |
| 33 | Y | 51.3 | Low | 55 | Low | 59 Ų | 59 | 57.5 Ų | 57.5 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 175.6 | -176 | -97.6 | 0 | 0 | 0 | 111.2 | L29 Q30 V36 Y37 M95 D98 V99 | L29-Y33 VanDerWaalsContact O-CB 3.28Å; L29-Y33 WeakPolarHBondContact O-CB 3.25Å; L29-Y33 PolarHBondContact O-N 2.97Å; Q30-Y33 PolarHBondContact O-N 3.37Å; Y33-V36 PolarHBondContact O-N 2.8Å; Y33-Y37 VanDerWaalsContact O-CB 3.25Å; Y33-Y37 WeakPolarHBondContact O-CB 3.2Å; Y33-Y37 PolarHBondContact O-N 2.88Å; Y33-M95 HydrophobicContact CE1-CG 4.43Å; Y33-D98 HydrophobicContact CE1-CB 4.11Å; Y33-V99 WeakPolarHBondContact OH-CG2 3.46Å |
| 34 | Q | 56.8 | Low | 54.1 | Low | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70 | -34.2 | 177.3 | -75 | -174 | -31.7 | 0 | 0 | 113.5 | Q30 T31 W32 Y37 L38 K94 | Q30-Q34 WeakPolarHBondContact O-CB 3.35Å; Q30-Q34 VanDerWaalsContact O-CG 3.25Å; Q30-Q34 WeakPolarHBondContact O-CG 3.48Å; Q30-Q34 PolarHBondContact O-N 3.03Å; T31-Q34 PolarHBondContact O-N 2.99Å; W32-Q34 VanDerWaalsContact C-N 3.27Å; W32-Q34 PolarHBondContact O-N 3.07Å; Q34-Y37 PolarHBondContact O-N 3.44Å; Q34-L38 WeakPolarHBondContact O-CB 2.96Å; Q34-L38 VanDerWaalsContact O-CG 3.27Å; Q34-L38 WeakPolarHBondContact O-CG 3.23Å; Q34-L38 PolarHBondContact O-N 3.25Å; Q34-K94 VanDerWaalsContact NE2-CE 3.31Å |
| 35 | S | 53.4 | Low | 53.3 | Low | 70 Ų | 70 | 59 Ų | 59 | 49% | 0.49 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.1 | -38.2 | 174 | 68.4 | 0 | 0 | 0 | 0 | 112 | T31 W32 L38 G39 | T31-S35 PolarHBondContact O-N 3.48Å; W32-S35 PolarHBondContact O-N 3.09Å; W32-S35 PolarHBondContact O-OG 3.39Å; S35-L38 PolarHBondContact O-N 3.06Å; S35-G39 PolarHBondContact O-N 3.15Å |
| 36 | V | 49.5 | Very low | 52.6 | Low | 67 Ų | 67 | 60.2 Ų | 60.2 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 170.9 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | W32 Y33 G39 S40 | W32-V36 HydrophobicContact CD2-CG2 4.2Å; W32-V36 HydrophobicContact CH2-CG2 4.41Å; W32-V36 HydrophobicContact CZ2-CG2 3.93Å; W32-V36 WeakPolarHBondContact O-CG2 3.43Å; W32-V36 PolarHBondContact O-N 2.82Å; Y33-V36 PolarHBondContact O-N 2.8Å; V36-G39 PolarHBondContact O-N 3.47Å; V36-S40 WeakPolarHBondContact O-CB 3.39Å; V36-S40 PolarHBondContact O-N 2.95Å; V36-S40 PolarHBondContact O-OG 3.39Å |
| 37 | Y | 49 | Very low | 52.2 | Low | 11 Ų | 11 | 58.1 Ų | 58.1 | 4% | 0.043 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 174.5 | 173.5 | -90.6 | 0 | 0 | 0 | 112.1 | Y33 Q34 S40 A41 D98 F102 | Y33-Y37 VanDerWaalsContact O-CB 3.25Å; Y33-Y37 WeakPolarHBondContact O-CB 3.2Å; Y33-Y37 PolarHBondContact O-N 2.88Å; Q34-Y37 PolarHBondContact O-N 3.44Å; Y37-S40 PolarHBondContact O-N 3.34Å; Y37-S40 PolarHBondContact O-OG 2.9Å; Y37-S40 VanDerWaalsContact O-OG 3.12Å; Y37-A41 WeakPolarHBondContact O-CB 3.27Å; Y37-A41 PolarHBondContact O-N 2.95Å; Y37-D98 WeakPolarHBondContact CE2-O 3.33Å; Y37-F102 HydrophobicContact CD2-CB 4.21Å; Y37-F102 HydrophobicContact CE2-CB 3.91Å |
| 38 | L | 51.4 | Low | 51.6 | Low | 38 Ų | 38 | 62.7 Ų | 62.7 | 20% | 0.199 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 176 | -74.8 | 164.6 | 0 | 0 | 0 | 111.6 | Q34 S35 Y42 N123 | Q34-L38 WeakPolarHBondContact O-CB 2.96Å; Q34-L38 VanDerWaalsContact O-CG 3.27Å; Q34-L38 WeakPolarHBondContact O-CG 3.23Å; Q34-L38 PolarHBondContact O-N 3.25Å; S35-L38 PolarHBondContact O-N 3.06Å; L38-Y42 VanDerWaalsContact O-CB 3.25Å; L38-Y42 WeakPolarHBondContact O-CB 3.39Å; L38-Y42 PolarHBondContact O-N 3.46Å; L38-N123 HydrophobicContact CD1-CB 3.53Å |
| 39 | G | 51.1 | Low | 51.3 | Low | 37 Ų | 37 | 64.5 Ų | 64.5 | 38% | 0.381 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S35 V36 Y42 F43 | S35-G39 PolarHBondContact O-N 3.15Å; V36-G39 PolarHBondContact O-N 3.47Å; G39-Y42 WeakPolarHBondContact O-CB 3.21Å; G39-F43 WeakPolarHBondContact O-CD2 3.49Å; G39-F43 PolarHBondContact O-N 2.7Å |
| 40 | S | 49.3 | Very low | 51 | Low | 34 Ų | 34 | 67.4 Ų | 67.4 | 24% | 0.238 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -78.4 | -37.5 | 178.5 | 67.1 | 0 | 0 | 0 | 0 | 112.4 | V36 Y37 Y42 F43 Y44 F102 | V36-S40 WeakPolarHBondContact O-CB 3.39Å; V36-S40 PolarHBondContact O-N 2.95Å; V36-S40 PolarHBondContact O-OG 3.39Å; Y37-S40 PolarHBondContact O-N 3.34Å; Y37-S40 PolarHBondContact O-OG 2.9Å; Y37-S40 VanDerWaalsContact O-OG 3.12Å; S40-Y42 VanDerWaalsContact C-N 3.34Å; S40-F43 PolarHBondContact O-N 3.42Å; S40-Y44 PolarHBondContact O-N 3.44Å; S40-Y44 VanDerWaalsContact O-N 3.15Å; S40-F102 VanDerWaalsContact OG-CE2 3.27Å; S40-F102 WeakPolarHBondContact OG-CE2 3.4Å |
| 41 | A | 49.3 | Very low | 50.5 | Low | 4 Ų | 4 | 68.6 Ų | 68.6 | 3% | 0.033 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y37 F43 Y44 M45 | Y37-A41 WeakPolarHBondContact O-CB 3.27Å; Y37-A41 PolarHBondContact O-N 2.95Å; A41-F43 VanDerWaalsContact C-N 3.27Å; A41-F43 PolarHBondContact O-N 2.85Å; A41-Y44 CarbonylContact O-C 3.43Å; A41-Y44 WeakPolarHBondContact O-CA 3.25Å; A41-Y44 PolarHBondContact O-N 3.3Å; A41-M45 WeakPolarHBondContact O-CA 3.12Å; A41-M45 VanDerWaalsContact O-CB 3.23Å; A41-M45 WeakPolarHBondContact O-CB 3.27Å; A41-M45 WeakPolarHBondContact O-CG 3.48Å; A41-M45 PolarHBondContact O-N 3.01Å |
| 42 | Y | 47.1 | Very low | 50 | Low | 143 Ų | 143 | 68.1 Ų | 68.1 | 56% | 0.561 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -52.4 | -42.6 | 173.1 | 169.4 | -87 | 0 | 0 | 0 | 112.6 | L38 G39 S40 Y44 I116 | L38-Y42 VanDerWaalsContact O-CB 3.25Å; L38-Y42 WeakPolarHBondContact O-CB 3.39Å; L38-Y42 PolarHBondContact O-N 3.46Å; G39-Y42 WeakPolarHBondContact O-CB 3.21Å; S40-Y42 VanDerWaalsContact C-N 3.34Å; Y42-Y44 VanDerWaalsContact C-N 3.31Å; Y42-Y44 PolarHBondContact O-N 2.82Å; Y42-I116 HydrophobicContact CD2-CG2 3.68Å; Y42-I116 HydrophobicContact CE2-CG2 4.41Å |
| 43 | F | 44.6 | Very low | 49.8 | Very low | 144 Ų | 144 | 66 Ų | 66 | 63% | 0.632 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.4 | -28.4 | 175 | -92 | -80.2 | 0 | 0 | 0 | 113.9 | G39 S40 A41 K46 | G39-F43 WeakPolarHBondContact O-CD2 3.49Å; G39-F43 PolarHBondContact O-N 2.7Å; S40-F43 PolarHBondContact O-N 3.42Å; A41-F43 VanDerWaalsContact C-N 3.27Å; A41-F43 PolarHBondContact O-N 2.85Å; F43-K46 WeakPolarHBondContact O-CE 3.12Å; F43-K46 PolarHBondContact O-NZ 3.25Å |
| 44 | Y | 41.3 | Very low | 49.7 | Very low | 67 Ų | 67 | 66.4 Ų | 66.4 | 26% | 0.263 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -101.7 | -11.2 | -175.8 | -102.1 | -79.9 | 0 | 0 | 0 | 116 | S40 A41 Y42 K46 Y52 I105 Y106 | S40-Y44 PolarHBondContact O-N 3.44Å; S40-Y44 VanDerWaalsContact O-N 3.15Å; A41-Y44 CarbonylContact O-C 3.43Å; A41-Y44 WeakPolarHBondContact O-CA 3.25Å; A41-Y44 PolarHBondContact O-N 3.3Å; Y42-Y44 VanDerWaalsContact C-N 3.31Å; Y42-Y44 PolarHBondContact O-N 2.82Å; Y44-K46 PolarHBondContact O-N 3.5Å; Y44-Y52 PolarHBondContact O-OH 3.42Å; Y44-I105 VanDerWaalsContact CB-CG2 3.41Å; Y44-I105 HydrophobicContact CD1-CG2 4.47Å; Y44-I105 HydrophobicContact CG-CG2 4.14Å; Y44-Y106 HydrophobicContact CD2-CD2 4.42Å; Y44-Y106 HydrophobicContact CE1-CD2 4.03Å; Y44-Y106 HydrophobicContact CE1-CE2 4.5Å; Y44-Y106 HydrophobicContact CE1-CG 4.09Å; Y44-Y106 WeakPolarHBondContact CE1-O 3.27Å; Y44-Y106 AromaticContact CE2-CD2 3.58Å; Y44-Y106 HydrophobicContact CE2-CD2 3.58Å; Y44-Y106 AromaticContact CE2-CE2 3.86Å; Y44-Y106 HydrophobicContact CE2-CE2 3.86Å; Y44-Y106 HydrophobicContact CE2-CG 4.41Å; Y44-Y106 AromaticContact CZ-CD2 3.35Å; Y44-Y106 AromaticContact CZ-CE2 3.54Å; Y44-Y106 AromaticContact CZ-CG 3.88Å; Y44-Y106 VanDerWaalsContact OH-CD2 3.29Å; Y44-Y106 WeakPolarHBondContact OH-CD2 3.41Å; Y44-Y106 WeakPolarHBondContact OH-CE2 3.47Å; Y44-Y106 VanDerWaalsContact OH-CZ 3.27Å |
| 45 | M | 47.6 | Very low | 49.5 | Very low | 23 Ų | 23 | 66.8 Ų | 66.8 | 11% | 0.113 | 35% | 0.351 | C | S | . | . | trans | -60.5 | 14 | -170.1 | -93.3 | -103.6 | -141.7 | 0 | 0 | 116.6 | A41 T47 Y52 I116 L119 | A41-M45 WeakPolarHBondContact O-CA 3.12Å; A41-M45 VanDerWaalsContact O-CB 3.23Å; A41-M45 WeakPolarHBondContact O-CB 3.27Å; A41-M45 WeakPolarHBondContact O-CG 3.48Å; A41-M45 PolarHBondContact O-N 3.01Å; M45-T47 VanDerWaalsContact C-N 3.3Å; M45-T47 PolarHBondContact O-N 2.78Å; M45-Y52 WeakPolarHBondContact CA-OH 3.13Å; M45-Y52 HydrophobicContact CE-CD1 4.37Å; M45-Y52 HydrophobicContact CG-CD1 4.35Å; M45-Y52 HydrophobicContact CG-CE1 3.84Å; M45-Y52 HydrophobicContact SD-CD1 3.53Å; M45-Y52 VanDerWaalsContact SD-CD1 3.53Å; M45-Y52 HydrophobicContact SD-CD2 4.27Å; M45-Y52 HydrophobicContact SD-CE1 3.62Å; M45-Y52 HydrophobicContact SD-CE2 4.38Å; M45-Y52 HydrophobicContact SD-CG 3.9Å; M45-I116 HydrophobicContact CB-CD1 3.45Å; M45-I116 VanDerWaalsContact CB-CD1 3.45Å; M45-I116 HydrophobicContact CB-CG1 4.05Å; M45-I116 HydrophobicContact CE-CB 4.43Å; M45-I116 HydrophobicContact CE-CG1 4.12Å; M45-I116 HydrophobicContact CE-CG2 4.04Å; M45-I116 HydrophobicContact CG-CD1 4.12Å; M45-I116 HydrophobicContact CG-CG1 4.23Å; M45-I116 HydrophobicContact SD-CD1 4.33Å; M45-I116 HydrophobicContact SD-CG1 3.85Å; M45-L119 HydrophobicContact CE-CD2 4.13Å | ||
| 46 | K | 46.4 | Very low | 49.7 | Very low | 96 Ų | 96 | 65.9 Ų | 65.9 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -77.9 | -5.9 | -163.9 | -65.1 | 163.4 | -177.5 | 159.1 | 0 | 112.8 | F43 Y44 S110 S111 K112 | F43-K46 WeakPolarHBondContact O-CE 3.12Å; F43-K46 PolarHBondContact O-NZ 3.25Å; Y44-K46 PolarHBondContact O-N 3.5Å; K46-S110 CarbonylContact O-C 2.66Å; K46-S111 CarbonylContact O-C 2.85Å; K46-S111 WeakPolarHBondContact O-CA 3.42Å; K46-S111 PolarHBondContact O-N 2.93Å; K46-K112 PolarHBondContact O-N 3.01Å |
| 47 | T | 51.1 | Low | 49.7 | Very low | 37 Ų | 37 | 70.5 Ų | 70.5 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -116.9 | -94.8 | -170.7 | -13.6 | 0 | 0 | 0 | 0 | 114.4 | M45 S49 V108 G109 S110 | M45-T47 VanDerWaalsContact C-N 3.3Å; M45-T47 PolarHBondContact O-N 2.78Å; T47-S49 PolarHBondContact O-N 2.87Å; T47-V108 WeakPolarHBondContact CB-O 3.32Å; T47-V108 HydrophobicContact CG2-CG1 3.91Å; T47-V108 WeakPolarHBondContact CG2-O 3.47Å; T47-V108 PolarHBondContact OG1-O 3.02Å; T47-G109 VanDerWaalsContact OG1-C 3.32Å; T47-G109 WeakPolarHBondContact OG1-CA 3.35Å; T47-G109 PolarHBondContact OG1-N 2.85Å; T47-S110 WeakPolarHBondContact CG2-O 3.48Å; T47-S110 PolarHBondContact OG1-N 3.06Å |
| 48 | E | 48.1 | Very low | 49.8 | Very low | 101 Ų | 101 | 73 Ų | 73 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | trans | -107.2 | 97.6 | -147.7 | -74.8 | -176.6 | 178.6 | 0 | 0 | 110.8 | F50 V51 Y52 V108 | E48-F50 PolarHBondContact O-N 3.37Å; E48-F50 VanDerWaalsContact O-N 3.09Å; E48-V51 HydrophobicContact CB-CG2 4.13Å; E48-V51 PolarHBondContact O-N 2.9Å; E48-V51 VanDerWaalsContact O-N 3.07Å; E48-Y52 WeakPolarHBondContact O-CD2 3.23Å; E48-Y52 PolarHBondContact O-N 3.13Å; E48-V108 HydrophobicContact CB-CG1 4.38Å; E48-V108 HydrophobicContact CG-CG1 3.89Å | ||
| 49 | S | 56.6 | Low | 50.3 | Low | 84 Ų | 84 | 72.2 Ų | 72.2 | 59% | 0.587 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -51.1 | -33.2 | -177.1 | 50.5 | 0 | 0 | 0 | 0 | 114.8 | T47 Y52 L53 | T47-S49 PolarHBondContact O-N 2.87Å; S49-Y52 PolarHBondContact O-N 3.07Å; S49-L53 PolarHBondContact O-N 2.94Å |
| 50 | F | 50.5 | Low | 50.5 | Low | 167 Ų | 167 | 75.6 Ų | 75.6 | 73% | 0.732 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.1 | -38.1 | 179 | -95.5 | -82.2 | 0 | 0 | 0 | 113.7 | E48 L53 S54 | E48-F50 PolarHBondContact O-N 3.37Å; E48-F50 VanDerWaalsContact O-N 3.09Å; F50-L53 PolarHBondContact O-N 3.49Å; F50-S54 PolarHBondContact O-N 3.33Å; F50-S54 PolarHBondContact O-OG 2.87Å; F50-S54 VanDerWaalsContact O-OG 3.13Å |
| 51 | V | 49.5 | Very low | 50.5 | Low | 47 Ų | 47 | 76.3 Ų | 76.3 | 29% | 0.285 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 174.3 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | E48 L53 S54 L55 | E48-V51 HydrophobicContact CB-CG2 4.13Å; E48-V51 PolarHBondContact O-N 2.9Å; E48-V51 VanDerWaalsContact O-N 3.07Å; V51-L53 PolarHBondContact O-N 3.19Å; V51-S54 WeakPolarHBondContact O-CB 3.48Å; V51-S54 PolarHBondContact O-N 3.44Å; V51-S54 VanDerWaalsContact O-N 3.07Å; V51-L55 HydrophobicContact CG1-CD1 4.25Å; V51-L55 HydrophobicContact CG1-CG 4.34Å; V51-L55 WeakPolarHBondContact O-CG 3.41Å; V51-L55 PolarHBondContact O-N 3.29Å |
| 52 | Y | 50 | Low | 50.9 | Low | 28 Ų | 28 | 77 Ų | 77 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 177.2 | -68.1 | -69.4 | 0 | 0 | 0 | 114 | Y44 M45 E48 S49 S54 L55 V56 I105 | Y44-Y52 PolarHBondContact O-OH 3.42Å; M45-Y52 WeakPolarHBondContact CA-OH 3.13Å; M45-Y52 HydrophobicContact CE-CD1 4.37Å; M45-Y52 HydrophobicContact CG-CD1 4.35Å; M45-Y52 HydrophobicContact CG-CE1 3.84Å; M45-Y52 HydrophobicContact SD-CD1 3.53Å; M45-Y52 VanDerWaalsContact SD-CD1 3.53Å; M45-Y52 HydrophobicContact SD-CD2 4.27Å; M45-Y52 HydrophobicContact SD-CE1 3.62Å; M45-Y52 HydrophobicContact SD-CE2 4.38Å; M45-Y52 HydrophobicContact SD-CG 3.9Å; E48-Y52 WeakPolarHBondContact O-CD2 3.23Å; E48-Y52 PolarHBondContact O-N 3.13Å; S49-Y52 PolarHBondContact O-N 3.07Å; Y52-S54 VanDerWaalsContact C-N 3.3Å; Y52-S54 PolarHBondContact O-N 2.9Å; Y52-L55 HydrophobicContact CD1-CD1 4.38Å; Y52-L55 WeakPolarHBondContact O-CB 3.34Å; Y52-L55 PolarHBondContact O-N 2.85Å; Y52-V56 WeakPolarHBondContact O-CG2 3.47Å; Y52-V56 PolarHBondContact O-N 3.42Å; Y52-I105 HydrophobicContact CD1-CD1 4.39Å; Y52-I105 HydrophobicContact CE1-CD1 3.74Å; Y52-I105 HydrophobicContact CE1-CG1 3.67Å; Y52-I105 HydrophobicContact CE1-CG2 4.41Å |
| 53 | L | 51.7 | Low | 51.5 | Low | 122 Ų | 122 | 72.9 Ų | 72.9 | 64% | 0.639 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.2 | -41.7 | 175.8 | -166.1 | 81.6 | 0 | 0 | 0 | 111.6 | S49 F50 V51 L55 V56 Y57 | S49-L53 PolarHBondContact O-N 2.94Å; F50-L53 PolarHBondContact O-N 3.49Å; V51-L53 PolarHBondContact O-N 3.19Å; L53-L55 VanDerWaalsContact C-N 3.33Å; L53-L55 PolarHBondContact O-N 2.84Å; L53-V56 PolarHBondContact O-N 3.37Å; L53-Y57 PolarHBondContact O-N 3.23Å |
| 54 | S | 49.5 | Very low | 51.9 | Low | 66 Ų | 66 | 72 Ų | 72 | 46% | 0.462 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 176.3 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | F50 V51 Y52 Y57 I58 | F50-S54 PolarHBondContact O-N 3.33Å; F50-S54 PolarHBondContact O-OG 2.87Å; F50-S54 VanDerWaalsContact O-OG 3.13Å; V51-S54 WeakPolarHBondContact O-CB 3.48Å; V51-S54 PolarHBondContact O-N 3.44Å; V51-S54 VanDerWaalsContact O-N 3.07Å; Y52-S54 VanDerWaalsContact C-N 3.3Å; Y52-S54 PolarHBondContact O-N 2.9Å; S54-Y57 PolarHBondContact O-N 3.49Å; S54-I58 WeakPolarHBondContact O-CB 3.33Å; S54-I58 WeakPolarHBondContact O-CD1 3.39Å; S54-I58 WeakPolarHBondContact O-CG1 3.48Å; S54-I58 PolarHBondContact O-N 2.97Å |
| 55 | L | 52.4 | Low | 52.5 | Low | 16 Ų | 16 | 72.8 Ų | 72.8 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65 | -43 | 175.3 | -64.4 | -175.8 | 0 | 0 | 0 | 112.6 | V51 Y52 L53 Y57 I58 Q59 C101 I105 | V51-L55 HydrophobicContact CG1-CD1 4.25Å; V51-L55 HydrophobicContact CG1-CG 4.34Å; V51-L55 WeakPolarHBondContact O-CG 3.41Å; V51-L55 PolarHBondContact O-N 3.29Å; Y52-L55 HydrophobicContact CD1-CD1 4.38Å; Y52-L55 WeakPolarHBondContact O-CB 3.34Å; Y52-L55 PolarHBondContact O-N 2.85Å; L53-L55 VanDerWaalsContact C-N 3.33Å; L53-L55 PolarHBondContact O-N 2.84Å; L55-Y57 VanDerWaalsContact C-N 3.34Å; L55-I58 PolarHBondContact O-N 3.43Å; L55-Q59 WeakPolarHBondContact O-CB 3.34Å; L55-Q59 WeakPolarHBondContact O-CG 3.21Å; L55-Q59 PolarHBondContact O-N 3.46Å; L55-C101 HydrophobicContact CD1-CB 4.21Å; L55-C101 HydrophobicContact CD2-CB 3.46Å; L55-C101 VanDerWaalsContact CD2-CB 3.46Å; L55-C101 WeakPolarHBondContact CD2-SG 3.37Å; L55-C101 HydrophobicContact CG-CB 4.44Å; L55-I105 HydrophobicContact CD1-CD1 3.36Å; L55-I105 HydrophobicContact CD1-CG1 3.64Å |
| 56 | V | 57.1 | Low | 53.2 | Low | 51 Ų | 51 | 71.9 Ų | 71.9 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 173.7 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | Y52 L53 Q59 F60 L119 | Y52-V56 WeakPolarHBondContact O-CG2 3.47Å; Y52-V56 PolarHBondContact O-N 3.42Å; L53-V56 PolarHBondContact O-N 3.37Å; V56-Q59 PolarHBondContact O-N 3.07Å; V56-F60 WeakPolarHBondContact O-CB 3.28Å; V56-F60 PolarHBondContact O-N 3.43Å; V56-L119 HydrophobicContact CG1-CD1 4.01Å; V56-L119 HydrophobicContact CG2-CD1 3.65Å; V56-L119 HydrophobicContact CG2-CD2 3.49Å; V56-L119 VanDerWaalsContact CG2-CD2 3.49Å; V56-L119 HydrophobicContact CG2-CG 4.22Å |
| 57 | Y | 49.4 | Very low | 53.8 | Low | 165 Ų | 165 | 69.5 Ų | 69.5 | 65% | 0.647 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.3 | -47.9 | 176.7 | -174.1 | -94.5 | 0 | 0 | 0 | 111.7 | L53 S54 L55 Q59 F60 S61 | L53-Y57 PolarHBondContact O-N 3.23Å; S54-Y57 PolarHBondContact O-N 3.49Å; L55-Y57 VanDerWaalsContact C-N 3.34Å; Y57-Q59 PolarHBondContact O-N 3.04Å; Y57-F60 WeakPolarHBondContact O-CB 3.25Å; Y57-F60 PolarHBondContact O-N 3Å; Y57-F60 VanDerWaalsContact O-N 3.16Å; Y57-S61 WeakPolarHBondContact CE1-OG 3.34Å; Y57-S61 PolarHBondContact O-N 2.92Å; Y57-S61 PolarHBondContact O-OG 3.26Å; Y57-S61 VanDerWaalsContact O-OG 3.11Å |
| 58 | I | 53 | Low | 54 | Low | 63 Ų | 63 | 71.3 Ų | 71.3 | 32% | 0.323 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 176.8 | -72.8 | 164.2 | 0 | 0 | 0 | 111.3 | S54 L55 F60 S61 L62 V97 | S54-I58 WeakPolarHBondContact O-CB 3.33Å; S54-I58 WeakPolarHBondContact O-CD1 3.39Å; S54-I58 WeakPolarHBondContact O-CG1 3.48Å; S54-I58 PolarHBondContact O-N 2.97Å; L55-I58 PolarHBondContact O-N 3.43Å; I58-F60 VanDerWaalsContact C-N 3.3Å; I58-F60 PolarHBondContact O-N 2.88Å; I58-S61 PolarHBondContact O-N 2.83Å; I58-L62 HydrophobicContact CG2-CD1 3.7Å; I58-L62 WeakPolarHBondContact O-CB 3.49Å; I58-L62 WeakPolarHBondContact O-CD1 3.39Å; I58-L62 VanDerWaalsContact O-CG 3.28Å; I58-L62 WeakPolarHBondContact O-CG 3.42Å; I58-L62 PolarHBondContact O-N 3.1Å; I58-V97 HydrophobicContact CG2-CG1 3.42Å; I58-V97 VanDerWaalsContact CG2-CG1 3.42Å |
| 59 | Q | 60.7 | Low | 54.4 | Low | 21 Ų | 21 | 67.7 Ų | 67.7 | 10% | 0.098 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.1 | -37.8 | 176.7 | -76.5 | -168.4 | -23.9 | 0 | 0 | 112.6 | L55 V56 Y57 F63 K94 D98 | L55-Q59 WeakPolarHBondContact O-CB 3.34Å; L55-Q59 WeakPolarHBondContact O-CG 3.21Å; L55-Q59 PolarHBondContact O-N 3.46Å; V56-Q59 PolarHBondContact O-N 3.07Å; Y57-Q59 PolarHBondContact O-N 3.04Å; Q59-F63 WeakPolarHBondContact O-CB 3.16Å; Q59-F63 PolarHBondContact O-N 3.19Å; Q59-K94 PolarHBondContact O-NZ 3.5Å; Q59-D98 WeakPolarHBondContact CG-OD1 3.4Å; Q59-D98 PolarHBondContact NE2-OD1 3.48Å |
| 60 | F | 55.1 | Low | 54.6 | Low | 109 Ų | 109 | 65 Ų | 65 | 48% | 0.478 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.3 | -44.7 | 176.6 | -161 | -89.5 | 0 | 0 | 0 | 112.2 | V56 Y57 I58 L62 F63 F64 | V56-F60 WeakPolarHBondContact O-CB 3.28Å; V56-F60 PolarHBondContact O-N 3.43Å; Y57-F60 WeakPolarHBondContact O-CB 3.25Å; Y57-F60 PolarHBondContact O-N 3Å; Y57-F60 VanDerWaalsContact O-N 3.16Å; I58-F60 VanDerWaalsContact C-N 3.3Å; I58-F60 PolarHBondContact O-N 2.88Å; F60-L62 VanDerWaalsContact C-N 3.34Å; F60-L62 PolarHBondContact O-N 2.92Å; F60-F63 WeakPolarHBondContact O-CB 3.26Å; F60-F63 PolarHBondContact O-N 2.87Å; F60-F64 PolarHBondContact O-N 2.88Å |
| 61 | S | 49.4 | Very low | 54.9 | Low | 49 Ų | 49 | 60.3 Ų | 60.3 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 173.3 | -61 | 0 | 0 | 0 | 0 | 111.6 | Y57 I58 F63 F64 L65 | Y57-S61 WeakPolarHBondContact CE1-OG 3.34Å; Y57-S61 PolarHBondContact O-N 2.92Å; Y57-S61 PolarHBondContact O-OG 3.26Å; Y57-S61 VanDerWaalsContact O-OG 3.11Å; I58-S61 PolarHBondContact O-N 2.83Å; S61-F63 PolarHBondContact O-N 3.3Å; S61-F64 PolarHBondContact O-N 3.19Å; S61-L65 WeakPolarHBondContact O-CB 3.35Å; S61-L65 PolarHBondContact O-N 3.11Å |
| 62 | L | 57.3 | Low | 54.9 | Low | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.089 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.1 | -37.4 | 176.6 | -73.3 | 162.8 | 0 | 0 | 0 | 112 | I58 F60 L65 T66 I93 K94 V97 | I58-L62 HydrophobicContact CG2-CD1 3.7Å; I58-L62 WeakPolarHBondContact O-CB 3.49Å; I58-L62 WeakPolarHBondContact O-CD1 3.39Å; I58-L62 VanDerWaalsContact O-CG 3.28Å; I58-L62 WeakPolarHBondContact O-CG 3.42Å; I58-L62 PolarHBondContact O-N 3.1Å; F60-L62 VanDerWaalsContact C-N 3.34Å; F60-L62 PolarHBondContact O-N 2.92Å; L62-L65 PolarHBondContact O-N 3.4Å; L62-T66 WeakPolarHBondContact O-CG2 2.95Å; L62-T66 PolarHBondContact O-N 2.98Å; L62-T66 PolarHBondContact O-OG1 3.39Å; L62-T66 VanDerWaalsContact O-OG1 3.08Å; L62-I93 HydrophobicContact CD2-CG2 4.46Å; L62-K94 HydrophobicContact CB-CB 4.45Å; L62-K94 HydrophobicContact CB-CD 4.14Å; L62-K94 HydrophobicContact CB-CG 4.01Å; L62-K94 HydrophobicContact CD1-CB 4.39Å; L62-K94 HydrophobicContact CD1-CG 4.14Å; L62-K94 HydrophobicContact CD2-CB 4.27Å; L62-V97 HydrophobicContact CD1-CB 4.02Å; L62-V97 HydrophobicContact CD1-CG1 3.82Å; L62-V97 HydrophobicContact CD1-CG2 4.48Å |
| 63 | F | 59.8 | Low | 55 | Low | 57 Ų | 57 | 61.6 Ų | 61.6 | 25% | 0.25 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 173.3 | 166.6 | -92.3 | 0 | 0 | 0 | 112.2 | Q59 F60 S61 T66 S67 I126 R130 | Q59-F63 WeakPolarHBondContact O-CB 3.16Å; Q59-F63 PolarHBondContact O-N 3.19Å; F60-F63 WeakPolarHBondContact O-CB 3.26Å; F60-F63 PolarHBondContact O-N 2.87Å; S61-F63 PolarHBondContact O-N 3.3Å; F63-T66 PolarHBondContact O-OG1 3.39Å; F63-S67 WeakPolarHBondContact O-CB 3.38Å; F63-S67 PolarHBondContact O-N 2.83Å; F63-S67 VanDerWaalsContact O-N 3.07Å; F63-S67 PolarHBondContact O-OG 3.48Å; F63-I126 HydrophobicContact CE2-CG2 4.38Å; F63-R130 HydrophobicContact CE2-CB 4.29Å; F63-R130 HydrophobicContact CE2-CG 3.95Å |
| 64 | F | 53.9 | Low | 54.8 | Low | 126 Ų | 126 | 58.7 Ų | 58.7 | 55% | 0.553 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.9 | -42.6 | 176.7 | -152.9 | -100.8 | 0 | 0 | 0 | 111.1 | F60 S61 S67 I68 | F60-F64 PolarHBondContact O-N 2.88Å; S61-F64 PolarHBondContact O-N 3.19Å; F64-S67 PolarHBondContact O-N 2.85Å; F64-I68 HydrophobicContact CD1-CD1 3.61Å; F64-I68 HydrophobicContact CD1-CG1 4.38Å; F64-I68 HydrophobicContact CE1-CD1 3.71Å; F64-I68 HydrophobicContact CE1-CG1 4.44Å; F64-I68 WeakPolarHBondContact O-CG1 3.06Å; F64-I68 PolarHBondContact O-N 3.43Å |
| 65 | L | 54.1 | Low | 54.8 | Low | 84 Ų | 84 | 61.9 Ų | 61.9 | 44% | 0.44 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 176.8 | -167 | 76.8 | 0 | 0 | 0 | 112.2 | S61 L62 S67 I68 L69 T90 | S61-L65 WeakPolarHBondContact O-CB 3.35Å; S61-L65 PolarHBondContact O-N 3.11Å; L62-L65 PolarHBondContact O-N 3.4Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 3.47Å; L65-I68 PolarHBondContact O-N 2.84Å; L65-L69 HydrophobicContact CG-CD1 4.38Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 3.4Å; L65-T90 HydrophobicContact CD2-CG2 3.65Å; L65-T90 HydrophobicContact CG-CG2 4.17Å |
| 66 | T | 63 | Low | 54.6 | Low | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.025 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62 | -38.1 | 177.3 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | L62 F63 L69 I70 T90 N91 K94 | L62-T66 WeakPolarHBondContact O-CG2 2.95Å; L62-T66 PolarHBondContact O-N 2.98Å; L62-T66 PolarHBondContact O-OG1 3.39Å; L62-T66 VanDerWaalsContact O-OG1 3.08Å; F63-T66 PolarHBondContact O-OG1 3.39Å; T66-L69 PolarHBondContact O-N 2.91Å; T66-I70 WeakPolarHBondContact O-CD1 3.29Å; T66-I70 WeakPolarHBondContact O-CG1 3.48Å; T66-I70 PolarHBondContact O-N 3.35Å; T66-T90 HydrophobicContact CG2-CG2 3.86Å; T66-N91 WeakPolarHBondContact CG2-OD1 3.24Å; T66-K94 HydrophobicContact CG2-CD 4.26Å |
| 67 | S | 58 | Low | 54.3 | Low | 45 Ų | 45 | 64.7 Ų | 64.7 | 32% | 0.315 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 177.5 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | F63 F64 L65 L69 I70 V71 | F63-S67 WeakPolarHBondContact O-CB 3.38Å; F63-S67 PolarHBondContact O-N 2.83Å; F63-S67 VanDerWaalsContact O-N 3.07Å; F63-S67 PolarHBondContact O-OG 3.48Å; F64-S67 PolarHBondContact O-N 2.85Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 3.47Å; S67-L69 VanDerWaalsContact C-N 3.34Å; S67-L69 PolarHBondContact O-N 2.88Å; S67-I70 PolarHBondContact O-N 3.33Å; S67-V71 WeakPolarHBondContact O-CG2 3.23Å; S67-V71 PolarHBondContact O-N 2.9Å |
| 68 | I | 55.2 | Low | 54.2 | Low | 76 Ų | 76 | 64.3 Ų | 64.3 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 175 | -71.4 | 167.7 | 0 | 0 | 0 | 110.9 | F64 L65 I70 V71 I72 | F64-I68 HydrophobicContact CD1-CD1 3.61Å; F64-I68 HydrophobicContact CD1-CG1 4.38Å; F64-I68 HydrophobicContact CE1-CD1 3.71Å; F64-I68 HydrophobicContact CE1-CG1 4.44Å; F64-I68 WeakPolarHBondContact O-CG1 3.06Å; F64-I68 PolarHBondContact O-N 3.43Å; L65-I68 PolarHBondContact O-N 2.84Å; I68-I70 PolarHBondContact O-N 3.14Å; I68-V71 WeakPolarHBondContact O-CB 3.41Å; I68-V71 PolarHBondContact O-N 3.39Å; I68-V71 VanDerWaalsContact O-N 3.14Å; I68-I72 HydrophobicContact CG2-CD1 3.68Å; I68-I72 HydrophobicContact CG2-CG1 4.3Å; I68-I72 WeakPolarHBondContact O-CG1 3.37Å; I68-I72 PolarHBondContact O-N 2.87Å |
| 69 | L | 57.5 | Low | 53.8 | Low | 25 Ų | 25 | 62.2 Ų | 62.2 | 13% | 0.131 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.4 | -34.2 | -178.2 | -69.7 | 172.5 | 0 | 0 | 0 | 113.2 | L65 T66 S67 V71 I72 Y73 I86 T90 | L65-L69 HydrophobicContact CG-CD1 4.38Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 3.4Å; T66-L69 PolarHBondContact O-N 2.91Å; S67-L69 VanDerWaalsContact C-N 3.34Å; S67-L69 PolarHBondContact O-N 2.88Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-I72 HydrophobicContact CD2-CD1 4.41Å; L69-I72 PolarHBondContact O-N 3.36Å; L69-Y73 WeakPolarHBondContact O-CB 3.28Å; L69-Y73 PolarHBondContact O-N 2.95Å; L69-I86 HydrophobicContact CD1-CG2 3.96Å; L69-I86 HydrophobicContact CD2-CG2 3.61Å; L69-I86 HydrophobicContact CG-CG2 4.29Å; L69-T90 HydrophobicContact CD1-CG2 3.64Å; L69-T90 WeakPolarHBondContact CD1-OG1 3.49Å |
| 70 | I | 60.3 | Low | 53.3 | Low | 26 Ų | 26 | 64.5 Ų | 64.5 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.6 | -37 | 171.6 | -67.6 | 160.9 | 0 | 0 | 0 | 111 | T66 S67 I68 Y73 F74 T87 F134 | T66-I70 WeakPolarHBondContact O-CD1 3.29Å; T66-I70 WeakPolarHBondContact O-CG1 3.48Å; T66-I70 PolarHBondContact O-N 3.35Å; S67-I70 PolarHBondContact O-N 3.33Å; I68-I70 PolarHBondContact O-N 3.14Å; I70-Y73 WeakPolarHBondContact O-CB 3.44Å; I70-Y73 PolarHBondContact O-N 3.35Å; I70-F74 WeakPolarHBondContact O-CD2 3.27Å; I70-F74 PolarHBondContact O-N 3.31Å; I70-T87 HydrophobicContact CG1-CG2 4.32Å; I70-F134 HydrophobicContact CD1-CD2 4.12Å; I70-F134 HydrophobicContact CD1-CE2 3.86Å; I70-F134 HydrophobicContact CG1-CE2 4.48Å |
| 71 | V | 55.4 | Low | 53.1 | Low | 69 Ų | 69 | 67.1 Ų | 67.1 | 42% | 0.418 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 172.7 | 173.7 | 0 | 0 | 0 | 0 | 111 | S67 I68 L69 Y73 F74 I75 | S67-V71 WeakPolarHBondContact O-CG2 3.23Å; S67-V71 PolarHBondContact O-N 2.9Å; I68-V71 WeakPolarHBondContact O-CB 3.41Å; I68-V71 PolarHBondContact O-N 3.39Å; I68-V71 VanDerWaalsContact O-N 3.14Å; L69-V71 VanDerWaalsContact C-N 3.33Å; V71-Y73 VanDerWaalsContact C-N 3.3Å; V71-Y73 PolarHBondContact O-N 2.91Å; V71-F74 PolarHBondContact O-N 3.48Å; V71-I75 HydrophobicContact CG1-CD1 3.93Å; V71-I75 WeakPolarHBondContact O-CG1 3.26Å; V71-I75 PolarHBondContact O-N 3.18Å; V71-I75 VanDerWaalsContact O-N 3.1Å |
| 72 | I | 51.4 | Low | 53 | Low | 73 Ų | 73 | 74.8 Ų | 74.8 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.2 | -35.2 | 176.8 | -64.6 | 170.2 | 0 | 0 | 0 | 111.2 | I68 L69 F74 I75 S76 L83 | I68-I72 HydrophobicContact CG2-CD1 3.68Å; I68-I72 HydrophobicContact CG2-CG1 4.3Å; I68-I72 WeakPolarHBondContact O-CG1 3.37Å; I68-I72 PolarHBondContact O-N 2.87Å; L69-I72 HydrophobicContact CD2-CD1 4.41Å; L69-I72 PolarHBondContact O-N 3.36Å; I72-F74 VanDerWaalsContact C-N 3.28Å; I72-F74 PolarHBondContact O-N 3.42Å; I72-I75 PolarHBondContact O-N 2.99Å; I72-S76 WeakPolarHBondContact O-CB 3.45Å; I72-S76 PolarHBondContact O-N 3.16Å; I72-L83 HydrophobicContact CB-CD2 4.19Å; I72-L83 HydrophobicContact CG2-CD1 3.81Å; I72-L83 HydrophobicContact CG2-CD2 3.74Å; I72-L83 HydrophobicContact CG2-CG 4.42Å |
| 73 | Y | 50.5 | Low | 52.7 | Low | 30 Ų | 30 | 74.5 Ų | 74.5 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -54.5 | -43.3 | 174.3 | 176.1 | -83.9 | 0 | 0 | 0 | 111.7 | M23 L69 I70 V71 L83 N84 | M23-Y73 HydrophobicContact CE-CD1 4.41Å; M23-Y73 HydrophobicContact CE-CD2 4.15Å; M23-Y73 HydrophobicContact CE-CE1 4Å; M23-Y73 HydrophobicContact CE-CE2 3.76Å; M23-Y73 HydrophobicContact CE-CG 4.5Å; L69-Y73 WeakPolarHBondContact O-CB 3.28Å; L69-Y73 PolarHBondContact O-N 2.95Å; I70-Y73 WeakPolarHBondContact O-CB 3.44Å; I70-Y73 PolarHBondContact O-N 3.35Å; V71-Y73 VanDerWaalsContact C-N 3.3Å; V71-Y73 PolarHBondContact O-N 2.91Å; Y73-L83 HydrophobicContact CD2-CB 3.64Å; Y73-L83 HydrophobicContact CE2-CB 4.49Å; Y73-L83 HydrophobicContact CG-CB 4.26Å; Y73-N84 HydrophobicContact CE2-CB 4.21Å; Y73-N84 VanDerWaalsContact CE2-CG 3.5Å; Y73-N84 WeakPolarHBondContact CE2-ND2 3.2Å; Y73-N84 PolarHBondContact OH-ND2 2.96Å; Y73-N84 VanDerWaalsContact OH-ND2 3.12Å |
| 74 | F | 48.1 | Very low | 52.5 | Low | 60 Ų | 60 | 72.9 Ų | 72.9 | 26% | 0.263 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -77.3 | -33.7 | 177.5 | -81.7 | -67.4 | 0 | 0 | 0 | 114.3 | I70 V71 I72 S76 | I70-F74 WeakPolarHBondContact O-CD2 3.27Å; I70-F74 PolarHBondContact O-N 3.31Å; V71-F74 PolarHBondContact O-N 3.48Å; I72-F74 VanDerWaalsContact C-N 3.28Å; I72-F74 PolarHBondContact O-N 3.42Å; F74-S76 VanDerWaalsContact C-N 3.34Å |
| 75 | I | 50.4 | Low | 52.4 | Low | 134 Ų | 134 | 71.2 Ų | 71.2 | 69% | 0.687 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.6 | -36.7 | 175.2 | -65.9 | 170.5 | 0 | 0 | 0 | 110.8 | V71 I72 Y77 | V71-I75 HydrophobicContact CG1-CD1 3.93Å; V71-I75 WeakPolarHBondContact O-CG1 3.26Å; V71-I75 PolarHBondContact O-N 3.18Å; V71-I75 VanDerWaalsContact O-N 3.1Å; I72-I75 PolarHBondContact O-N 2.99Å; I75-Y77 PolarHBondContact O-N 2.97Å |
| 76 | S | 47.5 | Very low | 52.5 | Low | 54 Ų | 54 | 70.7 Ų | 70.7 | 38% | 0.378 | 36% | 0.363 | S | S | . | . | trans | -84.3 | 50.4 | -180 | -155.3 | 0 | 0 | 0 | 0 | 112.5 | I72 F74 N78 G79 | I72-S76 WeakPolarHBondContact O-CB 3.45Å; I72-S76 PolarHBondContact O-N 3.16Å; F74-S76 VanDerWaalsContact C-N 3.34Å; S76-N78 PolarHBondContact O-N 3.44Å; S76-G79 WeakPolarHBondContact O-CA 3.31Å; S76-G79 PolarHBondContact O-N 3.35Å | ||
| 77 | Y | 49.7 | Very low | 52.4 | Low | 71 Ų | 71 | 70.9 Ų | 70.9 | 28% | 0.278 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -53.3 | -31.7 | -172.3 | -149.2 | -91.7 | 0 | 0 | 0 | 113.9 | I75 G79 C144 D145 H148 | I75-Y77 PolarHBondContact O-N 2.97Å; Y77-G79 PolarHBondContact O-N 2.82Å; Y77-G79 VanDerWaalsContact O-N 3.1Å; Y77-C144 HydrophobicContact CE2-CB 3.89Å; Y77-C144 WeakPolarHBondContact OH-CB 3.5Å; Y77-C144 PolarHBondContact OH-O 3.25Å; Y77-D145 VanDerWaalsContact OH-CA 3.25Å; Y77-D145 WeakPolarHBondContact OH-CA 3.35Å; Y77-D145 PolarHBondContact OH-N 2.87Å; Y77-H148 HydrophobicContact CE1-CB 3.55Å; Y77-H148 AromaticContact CE1-CD2 3.56Å; Y77-H148 AromaticContact CE1-CG 3.61Å |
| 78 | N | 47.2 | Very low | 52.5 | Low | 158 Ų | 158 | 73 Ų | 73 | 85% | 0.845 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -76.9 | 19 | 175.1 | -68 | -6.8 | 0 | 0 | 0 | 114.6 | S76 | S76-N78 PolarHBondContact O-N 3.44Š|
| 79 | G | 45.1 | Very low | 52.5 | Low | 18 Ų | 18 | 72.5 Ų | 72.5 | 19% | 0.186 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -149.9 | 27 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | S76 Y77 Q81 R82 L83 | S76-G79 WeakPolarHBondContact O-CA 3.31Å; S76-G79 PolarHBondContact O-N 3.35Å; Y77-G79 PolarHBondContact O-N 2.82Å; Y77-G79 VanDerWaalsContact O-N 3.1Å; G79-Q81 PolarHBondContact O-N 2.84Å; G79-R82 PolarHBondContact O-N 2.69Å; G79-L83 PolarHBondContact O-N 2.82Å |
| 80 | V | 51.4 | Low | 52.5 | Low | 70 Ų | 70 | 71.9 Ų | 71.9 | 42% | 0.424 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -40.8 | -38.6 | -173.1 | 178.1 | 0 | 0 | 0 | 0 | 115 | I19 N84 | I19-V80 HydrophobicContact CD1-CG1 4Å; V80-N84 WeakPolarHBondContact O-CB 3.42Å; V80-N84 PolarHBondContact O-ND2 3.28Å |
| 81 | Q | 50.6 | Low | 52.7 | Low | 164 Ų | 164 | 71.8 Ų | 71.8 | 77% | 0.766 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -76.2 | -42.4 | 178.4 | -69.7 | -176.3 | -9.4 | 0 | 0 | 113.9 | G79 L83 N84 V85 | G79-Q81 PolarHBondContact O-N 2.84Å; Q81-L83 PolarHBondContact O-N 2.85Å; Q81-N84 PolarHBondContact O-N 3.42Å; Q81-V85 WeakPolarHBondContact O-CG2 3.36Å; Q81-V85 PolarHBondContact O-N 2.81Å; Q81-V85 VanDerWaalsContact O-N 3.12Å |
| 82 | R | 47.5 | Very low | 52.7 | Low | 209 Ų | 209 | 74.2 Ų | 74.2 | 79% | 0.789 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.6 | -40.2 | -171.7 | -68.6 | -174.7 | 179.9 | -176.3 | 1.2 | 112.1 | G79 V85 I86 | G79-R82 PolarHBondContact O-N 2.69Å; R82-V85 PolarHBondContact O-N 3Å; R82-I86 WeakPolarHBondContact O-CG1 3.43Å; R82-I86 PolarHBondContact O-N 3.39Å; R82-I86 VanDerWaalsContact O-N 3.16Å |
| 83 | L | 49.5 | Very low | 52.8 | Low | 11 Ų | 11 | 74.6 Ų | 74.6 | 6% | 0.058 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -83.2 | -21.2 | 178.1 | -93.6 | 143.3 | 0 | 0 | 0 | 114 | I72 Y73 G79 Q81 V85 I86 T87 | I72-L83 HydrophobicContact CB-CD2 4.19Å; I72-L83 HydrophobicContact CG2-CD1 3.81Å; I72-L83 HydrophobicContact CG2-CD2 3.74Å; I72-L83 HydrophobicContact CG2-CG 4.42Å; Y73-L83 HydrophobicContact CD2-CB 3.64Å; Y73-L83 HydrophobicContact CE2-CB 4.49Å; Y73-L83 HydrophobicContact CG-CB 4.26Å; G79-L83 PolarHBondContact O-N 2.82Å; Q81-L83 PolarHBondContact O-N 2.85Å; L83-V85 VanDerWaalsContact C-N 3.34Å; L83-I86 HydrophobicContact CD2-CB 4.22Å; L83-I86 HydrophobicContact CD2-CD1 4.16Å; L83-I86 HydrophobicContact CD2-CG2 4.31Å; L83-I86 HydrophobicContact CG-CD1 4.13Å; L83-I86 PolarHBondContact O-N 3.26Å; L83-T87 WeakPolarHBondContact O-CB 3.4Å; L83-T87 PolarHBondContact O-N 3.41Å; L83-T87 PolarHBondContact O-OG1 3.47Å |
| 84 | N | 56.2 | Low | 53.2 | Low | 24 Ų | 24 | 73.3 Ų | 73.3 | 13% | 0.128 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 162.9 | -95.6 | -50.7 | 0 | 0 | 0 | 110.5 | M23 Y73 V80 Q81 I86 T87 I88 | M23-N84 WeakPolarHBondContact CE-OD1 3.28Å; Y73-N84 HydrophobicContact CE2-CB 4.21Å; Y73-N84 VanDerWaalsContact CE2-CG 3.5Å; Y73-N84 WeakPolarHBondContact CE2-ND2 3.2Å; Y73-N84 PolarHBondContact OH-ND2 2.96Å; Y73-N84 VanDerWaalsContact OH-ND2 3.12Å; V80-N84 WeakPolarHBondContact O-CB 3.42Å; V80-N84 PolarHBondContact O-ND2 3.28Å; Q81-N84 PolarHBondContact O-N 3.42Å; N84-I86 VanDerWaalsContact C-N 3.33Å; N84-I86 PolarHBondContact O-N 3.2Å; N84-T87 PolarHBondContact O-N 3.34Å; N84-I88 WeakPolarHBondContact O-CB 3.42Å; N84-I88 WeakPolarHBondContact O-CD1 3.43Å; N84-I88 VanDerWaalsContact O-CG1 3.22Å; N84-I88 WeakPolarHBondContact O-CG1 3.2Å; N84-I88 PolarHBondContact O-N 2.83Å |
| 85 | V | 53.1 | Low | 53.7 | Low | 90 Ų | 90 | 74.1 Ų | 74.1 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59 | -43 | 175.7 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | Q81 R82 L83 T89 | Q81-V85 WeakPolarHBondContact O-CG2 3.36Å; Q81-V85 PolarHBondContact O-N 2.81Å; Q81-V85 VanDerWaalsContact O-N 3.12Å; R82-V85 PolarHBondContact O-N 3Å; L83-V85 VanDerWaalsContact C-N 3.34Å; V85-T89 WeakPolarHBondContact O-CB 3.49Å; V85-T89 PolarHBondContact O-N 3.35Å; V85-T89 PolarHBondContact O-OG1 2.89Å |
| 86 | I | 55.7 | Low | 53.7 | Low | 73 Ų | 73 | 70.7 Ų | 70.7 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 179 | -68 | 165.1 | 0 | 0 | 0 | 112.2 | L69 R82 L83 N84 T89 T90 | L69-I86 HydrophobicContact CD1-CG2 3.96Å; L69-I86 HydrophobicContact CD2-CG2 3.61Å; L69-I86 HydrophobicContact CG-CG2 4.29Å; R82-I86 WeakPolarHBondContact O-CG1 3.43Å; R82-I86 PolarHBondContact O-N 3.39Å; R82-I86 VanDerWaalsContact O-N 3.16Å; L83-I86 HydrophobicContact CD2-CB 4.22Å; L83-I86 HydrophobicContact CD2-CD1 4.16Å; L83-I86 HydrophobicContact CD2-CG2 4.31Å; L83-I86 HydrophobicContact CG-CD1 4.13Å; L83-I86 PolarHBondContact O-N 3.26Å; N84-I86 VanDerWaalsContact C-N 3.33Å; N84-I86 PolarHBondContact O-N 3.2Å; I86-T89 PolarHBondContact O-N 3.43Å; I86-T90 WeakPolarHBondContact O-CB 3.4Å; I86-T90 PolarHBondContact O-N 3.37Å; I86-T90 PolarHBondContact O-OG1 2.82Å |
| 87 | T | 61.2 | Low | 54 | Low | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.055 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 175.9 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | I70 L83 N84 T89 T90 N91 | I70-T87 HydrophobicContact CG1-CG2 4.32Å; L83-T87 WeakPolarHBondContact O-CB 3.4Å; L83-T87 PolarHBondContact O-N 3.41Å; L83-T87 PolarHBondContact O-OG1 3.47Å; N84-T87 PolarHBondContact O-N 3.34Å; T87-T89 PolarHBondContact O-N 3.33Å; T87-T90 PolarHBondContact O-N 3.22Å; T87-N91 WeakPolarHBondContact O-CB 3.38Å; T87-N91 PolarHBondContact O-N 2.88Å |
| 88 | I | 60 | Low | 54.2 | Low | 88 Ų | 88 | 66.7 Ų | 66.7 | 45% | 0.451 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 175.3 | -68.4 | 165.2 | 0 | 0 | 0 | 110.6 | L26 N84 T90 N91 F92 | L26-I88 HydrophobicContact CD1-CG1 4.3Å; N84-I88 WeakPolarHBondContact O-CB 3.42Å; N84-I88 WeakPolarHBondContact O-CD1 3.43Å; N84-I88 VanDerWaalsContact O-CG1 3.22Å; N84-I88 WeakPolarHBondContact O-CG1 3.2Å; N84-I88 PolarHBondContact O-N 2.83Å; I88-T90 VanDerWaalsContact C-N 3.28Å; I88-T90 PolarHBondContact O-N 2.91Å; I88-N91 PolarHBondContact O-N 3.11Å; I88-F92 VanDerWaalsContact O-CB 3.26Å; I88-F92 WeakPolarHBondContact O-CB 3.48Å; I88-F92 PolarHBondContact O-N 2.96Å |
| 89 | T | 53.6 | Low | 54.3 | Low | 66 Ų | 66 | 62.4 Ų | 62.4 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 177.9 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | V85 I86 T87 F92 I93 | V85-T89 WeakPolarHBondContact O-CB 3.49Å; V85-T89 PolarHBondContact O-N 3.35Å; V85-T89 PolarHBondContact O-OG1 2.89Å; I86-T89 PolarHBondContact O-N 3.43Å; T87-T89 PolarHBondContact O-N 3.33Å; T89-F92 PolarHBondContact O-N 3.43Å; T89-I93 HydrophobicContact CG2-CD1 3.97Å; T89-I93 VanDerWaalsContact O-CG1 3.24Å; T89-I93 WeakPolarHBondContact O-CG1 3.48Å; T89-I93 PolarHBondContact O-N 3.01Å |
| 90 | T | 58.7 | Low | 54.4 | Low | 12 Ų | 12 | 64.9 Ų | 64.9 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -78.1 | -37.7 | -178.3 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | L65 T66 L69 I86 T87 I88 F92 I93 K94 | L65-T90 HydrophobicContact CD2-CG2 3.65Å; L65-T90 HydrophobicContact CG-CG2 4.17Å; T66-T90 HydrophobicContact CG2-CG2 3.86Å; L69-T90 HydrophobicContact CD1-CG2 3.64Å; L69-T90 WeakPolarHBondContact CD1-OG1 3.49Å; I86-T90 WeakPolarHBondContact O-CB 3.4Å; I86-T90 PolarHBondContact O-N 3.37Å; I86-T90 PolarHBondContact O-OG1 2.82Å; T87-T90 PolarHBondContact O-N 3.22Å; I88-T90 VanDerWaalsContact C-N 3.28Å; I88-T90 PolarHBondContact O-N 2.91Å; T90-F92 VanDerWaalsContact C-N 3.27Å; T90-F92 PolarHBondContact O-N 2.88Å; T90-I93 PolarHBondContact O-N 3.08Å; T90-K94 VanDerWaalsContact O-CB 3.31Å; T90-K94 WeakPolarHBondContact O-CB 3.43Å; T90-K94 PolarHBondContact O-N 3.07Å |
| 91 | N | 63.6 | Low | 54.2 | Low | 24 Ų | 24 | 62.2 Ų | 62.2 | 13% | 0.128 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.2 | -35.5 | 170.1 | -70.5 | -2.5 | 0 | 0 | 0 | 110.8 | T66 T87 I88 K94 M95 | T66-N91 WeakPolarHBondContact CG2-OD1 3.24Å; T87-N91 WeakPolarHBondContact O-CB 3.38Å; T87-N91 PolarHBondContact O-N 2.88Å; I88-N91 PolarHBondContact O-N 3.11Å; N91-K94 WeakPolarHBondContact O-CB 3.44Å; N91-K94 PolarHBondContact O-N 2.72Å; N91-M95 WeakPolarHBondContact O-CB 3.39Å; N91-M95 PolarHBondContact O-N 3.21Å |
| 92 | F | 57 | Low | 54.1 | Low | 121 Ų | 121 | 57.4 Ų | 57.4 | 53% | 0.531 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.9 | -46.3 | 172.4 | 179.7 | -99.4 | 0 | 0 | 0 | 112.4 | I88 T89 T90 K94 M95 V96 | I88-F92 VanDerWaalsContact O-CB 3.26Å; I88-F92 WeakPolarHBondContact O-CB 3.48Å; I88-F92 PolarHBondContact O-N 2.96Å; T89-F92 PolarHBondContact O-N 3.43Å; T90-F92 VanDerWaalsContact C-N 3.27Å; T90-F92 PolarHBondContact O-N 2.88Å; F92-K94 VanDerWaalsContact C-N 3.28Å; F92-K94 PolarHBondContact O-N 3.37Å; F92-M95 HydrophobicContact CD2-CE 3.81Å; F92-M95 HydrophobicContact CE2-CE 3.84Å; F92-M95 PolarHBondContact O-N 3.36Å; F92-V96 HydrophobicContact CD1-CG2 4.11Å; F92-V96 HydrophobicContact CD2-CG2 4.49Å; F92-V96 HydrophobicContact CE1-CG2 3.65Å; F92-V96 HydrophobicContact CE2-CG2 4.08Å; F92-V96 HydrophobicContact CZ-CG2 3.63Å; F92-V96 WeakPolarHBondContact O-CG2 3.38Å; F92-V96 PolarHBondContact O-N 3.45Å |
| 93 | I | 52.4 | Low | 53.9 | Low | 80 Ų | 80 | 49.3 Ų | 49.3 | 41% | 0.41 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 172.9 | -72 | 163.1 | 0 | 0 | 0 | 110.1 | L62 T89 T90 M95 V96 V97 | L62-I93 HydrophobicContact CD2-CG2 4.46Å; T89-I93 HydrophobicContact CG2-CD1 3.97Å; T89-I93 VanDerWaalsContact O-CG1 3.24Å; T89-I93 WeakPolarHBondContact O-CG1 3.48Å; T89-I93 PolarHBondContact O-N 3.01Å; T90-I93 PolarHBondContact O-N 3.08Å; I93-M95 PolarHBondContact O-N 3.29Å; I93-V96 PolarHBondContact O-N 2.92Å; I93-V97 HydrophobicContact CG2-CG2 4.4Å; I93-V97 WeakPolarHBondContact O-CB 3.22Å; I93-V97 VanDerWaalsContact O-CG2 3.28Å; I93-V97 WeakPolarHBondContact O-CG2 3.37Å; I93-V97 PolarHBondContact O-N 2.96Å |
| 94 | K | 59.5 | Low | 53.6 | Low | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.017 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 175.9 | -177.7 | 175.5 | -177.6 | 65.9 | 0 | 111.7 | Q34 Q59 L62 T66 T90 N91 F92 V97 D98 | Q34-K94 VanDerWaalsContact NE2-CE 3.31Å; Q59-K94 PolarHBondContact O-NZ 3.5Å; L62-K94 HydrophobicContact CB-CB 4.45Å; L62-K94 HydrophobicContact CB-CD 4.14Å; L62-K94 HydrophobicContact CB-CG 4.01Å; L62-K94 HydrophobicContact CD1-CB 4.39Å; L62-K94 HydrophobicContact CD1-CG 4.14Å; L62-K94 HydrophobicContact CD2-CB 4.27Å; T66-K94 HydrophobicContact CG2-CD 4.26Å; T90-K94 VanDerWaalsContact O-CB 3.31Å; T90-K94 WeakPolarHBondContact O-CB 3.43Å; T90-K94 PolarHBondContact O-N 3.07Å; N91-K94 WeakPolarHBondContact O-CB 3.44Å; N91-K94 PolarHBondContact O-N 2.72Å; F92-K94 VanDerWaalsContact C-N 3.28Å; F92-K94 PolarHBondContact O-N 3.37Å; K94-V97 PolarHBondContact O-N 2.95Å; K94-D98 WeakPolarHBondContact O-CB 3.21Å; K94-D98 PolarHBondContact O-N 3.2Å |
| 95 | M | 57.9 | Low | 53.1 | Low | 77 Ų | 77 | 51.5 Ų | 51.5 | 38% | 0.379 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 175.5 | -173.2 | -170.2 | 74.8 | 0 | 0 | 112.3 | Y33 N91 F92 I93 V97 D98 V99 | Y33-M95 HydrophobicContact CE1-CG 4.43Å; N91-M95 WeakPolarHBondContact O-CB 3.39Å; N91-M95 PolarHBondContact O-N 3.21Å; F92-M95 HydrophobicContact CD2-CE 3.81Å; F92-M95 HydrophobicContact CE2-CE 3.84Å; F92-M95 PolarHBondContact O-N 3.36Å; I93-M95 PolarHBondContact O-N 3.29Å; M95-V97 VanDerWaalsContact C-N 3.31Å; M95-V97 PolarHBondContact O-N 3.45Å; M95-D98 PolarHBondContact O-N 2.95Å; M95-V99 HydrophobicContact CG-CG2 4.48Å; M95-V99 WeakPolarHBondContact O-CB 3.39Å; M95-V99 VanDerWaalsContact O-CG2 3.23Å; M95-V99 WeakPolarHBondContact O-CG2 3.44Å; M95-V99 PolarHBondContact O-N 3.16Å |
| 96 | V | 50.6 | Low | 52.6 | Low | 61 Ų | 61 | 53.6 Ų | 53.6 | 37% | 0.37 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 177.6 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | F92 I93 S100 | F92-V96 HydrophobicContact CD1-CG2 4.11Å; F92-V96 HydrophobicContact CD2-CG2 4.49Å; F92-V96 HydrophobicContact CE1-CG2 3.65Å; F92-V96 HydrophobicContact CE2-CG2 4.08Å; F92-V96 HydrophobicContact CZ-CG2 3.63Å; F92-V96 WeakPolarHBondContact O-CG2 3.38Å; F92-V96 PolarHBondContact O-N 3.45Å; I93-V96 PolarHBondContact O-N 2.92Å; V96-S100 WeakPolarHBondContact O-CB 3.43Å; V96-S100 PolarHBondContact O-N 3.44Å; V96-S100 PolarHBondContact O-OG 2.87Å |
| 97 | V | 52.9 | Low | 52 | Low | 40 Ų | 40 | 59 Ų | 59 | 24% | 0.242 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.6 | -53.1 | 173.3 | 172.2 | 0 | 0 | 0 | 0 | 110 | I58 L62 I93 K94 M95 V99 S100 C101 | I58-V97 HydrophobicContact CG2-CG1 3.42Å; I58-V97 VanDerWaalsContact CG2-CG1 3.42Å; L62-V97 HydrophobicContact CD1-CB 4.02Å; L62-V97 HydrophobicContact CD1-CG1 3.82Å; L62-V97 HydrophobicContact CD1-CG2 4.48Å; I93-V97 HydrophobicContact CG2-CG2 4.4Å; I93-V97 WeakPolarHBondContact O-CB 3.22Å; I93-V97 VanDerWaalsContact O-CG2 3.28Å; I93-V97 WeakPolarHBondContact O-CG2 3.37Å; I93-V97 PolarHBondContact O-N 2.96Å; K94-V97 PolarHBondContact O-N 2.95Å; M95-V97 VanDerWaalsContact C-N 3.31Å; M95-V97 PolarHBondContact O-N 3.45Å; V97-V99 VanDerWaalsContact C-N 3.29Å; V97-V99 PolarHBondContact O-N 3.01Å; V97-S100 PolarHBondContact O-N 3.47Å; V97-C101 WeakPolarHBondContact O-CB 3.45Å; V97-C101 PolarHBondContact O-N 2.8Å; V97-C101 PolarHBondContact O-SG 2.95Å |
| 98 | D | 55.1 | Low | 51.2 | Low | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.011 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.3 | -42 | 177.4 | -74.9 | -28.9 | 0 | 0 | 0 | 111.9 | Y33 Y37 Q59 K94 M95 C101 F102 | Y33-D98 HydrophobicContact CE1-CB 4.11Å; Y37-D98 WeakPolarHBondContact CE2-O 3.33Å; Q59-D98 WeakPolarHBondContact CG-OD1 3.4Å; Q59-D98 PolarHBondContact NE2-OD1 3.48Å; K94-D98 WeakPolarHBondContact O-CB 3.21Å; K94-D98 PolarHBondContact O-N 3.2Å; M95-D98 PolarHBondContact O-N 2.95Å; D98-C101 PolarHBondContact O-N 3.31Å; D98-F102 PolarHBondContact O-N 3.48Å |
| 99 | V | 50 | Low | 50.4 | Low | 68 Ų | 68 | 58.2 Ų | 58.2 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 173.3 | 172.4 | 0 | 0 | 0 | 0 | 112.3 | Y33 M95 V97 C101 F102 G103 | Y33-V99 WeakPolarHBondContact OH-CG2 3.46Å; M95-V99 HydrophobicContact CG-CG2 4.48Å; M95-V99 WeakPolarHBondContact O-CB 3.39Å; M95-V99 VanDerWaalsContact O-CG2 3.23Å; M95-V99 WeakPolarHBondContact O-CG2 3.44Å; M95-V99 PolarHBondContact O-N 3.16Å; V97-V99 VanDerWaalsContact C-N 3.29Å; V97-V99 PolarHBondContact O-N 3.01Å; V99-C101 VanDerWaalsContact C-N 3.32Å; V99-C101 PolarHBondContact O-N 2.94Å; V99-F102 WeakPolarHBondContact O-CB 3.28Å; V99-F102 PolarHBondContact O-N 3.36Å; V99-G103 PolarHBondContact O-N 2.92Å |
| 100 | S | 46.1 | Very low | 50 | Low | 69 Ų | 69 | 58.9 Ų | 58.9 | 48% | 0.483 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | -179.6 | -57.9 | 0 | 0 | 0 | 0 | 111 | V96 V97 F102 G103 T104 | V96-S100 WeakPolarHBondContact O-CB 3.43Å; V96-S100 PolarHBondContact O-N 3.44Å; V96-S100 PolarHBondContact O-OG 2.87Å; V97-S100 PolarHBondContact O-N 3.47Å; S100-F102 VanDerWaalsContact C-N 3.35Å; S100-G103 PolarHBondContact O-N 2.66Å; S100-T104 PolarHBondContact O-N 3.39Å; S100-T104 PolarHBondContact O-OG1 3.39Å |
| 101 | C | 48.3 | Very low | 49.5 | Very low | 14 Ų | 14 | 62.6 Ų | 62.6 | 10% | 0.095 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 173.7 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | L55 V97 D98 V99 T104 I105 | L55-C101 HydrophobicContact CD1-CB 4.21Å; L55-C101 HydrophobicContact CD2-CB 3.46Å; L55-C101 VanDerWaalsContact CD2-CB 3.46Å; L55-C101 WeakPolarHBondContact CD2-SG 3.37Å; L55-C101 HydrophobicContact CG-CB 4.44Å; V97-C101 WeakPolarHBondContact O-CB 3.45Å; V97-C101 PolarHBondContact O-N 2.8Å; V97-C101 PolarHBondContact O-SG 2.95Å; D98-C101 PolarHBondContact O-N 3.31Å; V99-C101 VanDerWaalsContact C-N 3.32Å; V99-C101 PolarHBondContact O-N 2.94Å; C101-T104 PolarHBondContact O-N 3.38Å; C101-I105 WeakPolarHBondContact O-CB 3.41Å; C101-I105 VanDerWaalsContact O-CG1 3.27Å; C101-I105 WeakPolarHBondContact O-CG1 3.26Å; C101-I105 PolarHBondContact O-N 3.16Å |
| 102 | F | 47.2 | Very low | 48.6 | Very low | 63 Ų | 63 | 69.6 Ų | 69.6 | 28% | 0.276 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 170.9 | -177.8 | -101.6 | 0 | 0 | 0 | 112.2 | Y37 S40 D98 V99 S100 T104 I105 Y106 | Y37-F102 HydrophobicContact CD2-CB 4.21Å; Y37-F102 HydrophobicContact CE2-CB 3.91Å; S40-F102 VanDerWaalsContact OG-CE2 3.27Å; S40-F102 WeakPolarHBondContact OG-CE2 3.4Å; D98-F102 PolarHBondContact O-N 3.48Å; V99-F102 WeakPolarHBondContact O-CB 3.28Å; V99-F102 PolarHBondContact O-N 3.36Å; S100-F102 VanDerWaalsContact C-N 3.35Å; F102-T104 PolarHBondContact O-N 2.81Å; F102-I105 PolarHBondContact O-N 3.41Å; F102-Y106 HydrophobicContact CE1-CD2 4.45Å; F102-Y106 HydrophobicContact CZ-CD2 4.43Å; F102-Y106 WeakPolarHBondContact O-CB 3.3Å; F102-Y106 PolarHBondContact O-N 2.83Å |
| 103 | G | 43 | Very low | 48.2 | Very low | 40 Ų | 40 | 69.8 Ų | 69.8 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V99 S100 Y106 F107 | V99-G103 PolarHBondContact O-N 2.92Å; S100-G103 PolarHBondContact O-N 2.66Å; G103-Y106 PolarHBondContact O-N 3.12Å; G103-F107 PolarHBondContact O-N 3.03Å |
| 104 | T | 43.2 | Very low | 47.6 | Very low | 76 Ų | 76 | 73.5 Ų | 73.5 | 47% | 0.466 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 175.4 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | S100 C101 F102 Y106 F107 V108 | S100-T104 PolarHBondContact O-N 3.39Å; S100-T104 PolarHBondContact O-OG1 3.39Å; C101-T104 PolarHBondContact O-N 3.38Å; F102-T104 PolarHBondContact O-N 2.81Å; T104-Y106 VanDerWaalsContact C-N 3.32Å; T104-Y106 PolarHBondContact O-N 3.12Å; T104-F107 PolarHBondContact O-N 2.93Å; T104-V108 WeakPolarHBondContact O-CG2 3.2Å |
| 105 | I | 47.1 | Very low | 46.7 | Very low | 4 Ų | 4 | 78 Ų | 78 | 2% | 0.021 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -57.7 | -45 | 174.3 | -77.2 | 166 | 0 | 0 | 0 | 111.1 | Y44 Y52 L55 C101 F102 F107 V108 | Y44-I105 VanDerWaalsContact CB-CG2 3.41Å; Y44-I105 HydrophobicContact CD1-CG2 4.47Å; Y44-I105 HydrophobicContact CG-CG2 4.14Å; Y52-I105 HydrophobicContact CD1-CD1 4.39Å; Y52-I105 HydrophobicContact CE1-CD1 3.74Å; Y52-I105 HydrophobicContact CE1-CG1 3.67Å; Y52-I105 HydrophobicContact CE1-CG2 4.41Å; L55-I105 HydrophobicContact CD1-CD1 3.36Å; L55-I105 HydrophobicContact CD1-CG1 3.64Å; C101-I105 WeakPolarHBondContact O-CB 3.41Å; C101-I105 VanDerWaalsContact O-CG1 3.27Å; C101-I105 WeakPolarHBondContact O-CG1 3.26Å; C101-I105 PolarHBondContact O-N 3.16Å; F102-I105 PolarHBondContact O-N 3.41Å; I105-F107 VanDerWaalsContact C-N 3.26Å; I105-F107 PolarHBondContact O-N 2.81Å; I105-V108 PolarHBondContact O-N 3.4Å |
| 106 | Y | 41.2 | Very low | 46.2 | Very low | 134 Ų | 134 | 74.9 Ų | 74.9 | 53% | 0.525 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.9 | -39.9 | 179.8 | -174.5 | -78.6 | 0 | 0 | 0 | 111.7 | Y44 F102 G103 T104 V108 | Y44-Y106 HydrophobicContact CD2-CD2 4.42Å; Y44-Y106 HydrophobicContact CE1-CD2 4.03Å; Y44-Y106 HydrophobicContact CE1-CE2 4.5Å; Y44-Y106 HydrophobicContact CE1-CG 4.09Å; Y44-Y106 WeakPolarHBondContact CE1-O 3.27Å; Y44-Y106 AromaticContact CE2-CD2 3.58Å; Y44-Y106 HydrophobicContact CE2-CD2 3.58Å; Y44-Y106 AromaticContact CE2-CE2 3.86Å; Y44-Y106 HydrophobicContact CE2-CE2 3.86Å; Y44-Y106 HydrophobicContact CE2-CG 4.41Å; Y44-Y106 AromaticContact CZ-CD2 3.35Å; Y44-Y106 AromaticContact CZ-CE2 3.54Å; Y44-Y106 AromaticContact CZ-CG 3.88Å; Y44-Y106 VanDerWaalsContact OH-CD2 3.29Å; Y44-Y106 WeakPolarHBondContact OH-CD2 3.41Å; Y44-Y106 WeakPolarHBondContact OH-CE2 3.47Å; Y44-Y106 VanDerWaalsContact OH-CZ 3.27Å; F102-Y106 HydrophobicContact CE1-CD2 4.45Å; F102-Y106 HydrophobicContact CZ-CD2 4.43Å; F102-Y106 WeakPolarHBondContact O-CB 3.3Å; F102-Y106 PolarHBondContact O-N 2.83Å; G103-Y106 PolarHBondContact O-N 3.12Å; T104-Y106 VanDerWaalsContact C-N 3.32Å; T104-Y106 PolarHBondContact O-N 3.12Å; Y106-V108 VanDerWaalsContact C-N 3.33Å; Y106-V108 PolarHBondContact O-N 3.34Å |
| 107 | F | 43.2 | Very low | 45.8 | Very low | 186 Ų | 186 | 77 Ų | 77 | 82% | 0.816 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -73.8 | -20.6 | -173.8 | -150.7 | -92 | 0 | 0 | 0 | 114.2 | G103 T104 I105 | G103-F107 PolarHBondContact O-N 3.03Å; T104-F107 PolarHBondContact O-N 2.93Å; I105-F107 VanDerWaalsContact C-N 3.26Å; I105-F107 PolarHBondContact O-N 2.81Å |
| 108 | V | 44.1 | Very low | 45.4 | Very low | 50 Ų | 50 | 80.9 Ų | 80.9 | 30% | 0.303 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -105.9 | -8.8 | -166.1 | -178.3 | 0 | 0 | 0 | 0 | 113.4 | T47 E48 T104 I105 Y106 S110 | T47-V108 WeakPolarHBondContact CB-O 3.32Å; T47-V108 HydrophobicContact CG2-CG1 3.91Å; T47-V108 WeakPolarHBondContact CG2-O 3.47Å; T47-V108 PolarHBondContact OG1-O 3.02Å; E48-V108 HydrophobicContact CB-CG1 4.38Å; E48-V108 HydrophobicContact CG-CG1 3.89Å; T104-V108 WeakPolarHBondContact O-CG2 3.2Å; I105-V108 PolarHBondContact O-N 3.4Å; Y106-V108 VanDerWaalsContact C-N 3.33Å; Y106-V108 PolarHBondContact O-N 3.34Å; V108-S110 PolarHBondContact O-N 3.19Å |
| 109 | G | 43.2 | Very low | 45 | Very low | 31 Ų | 31 | 82.5 Ų | 82.5 | 32% | 0.32 | 46% | 0.462 | S | S | . | . | trans | -52.2 | 105.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | T47 | T47-G109 VanDerWaalsContact OG1-C 3.32Å; T47-G109 WeakPolarHBondContact OG1-CA 3.35Å; T47-G109 PolarHBondContact OG1-N 2.85Å | ||
| 110 | S | 46.9 | Very low | 44.8 | Very low | 80 Ų | 80 | 81.5 Ų | 81.5 | 56% | 0.559 | 46% | 0.461 | S | S | * | . | trans | -173.6 | 123.4 | 165.3 | -85.1 | 0 | 0 | 0 | 0 | 116.7 | K46 T47 V108 | K46-S110 CarbonylContact O-C 2.66Å; T47-S110 WeakPolarHBondContact CG2-O 3.48Å; T47-S110 PolarHBondContact OG1-N 3.06Å; V108-S110 PolarHBondContact O-N 3.19Å | ||
| 111 | S | 46.9 | Very low | 44.8 | Very low | 91 Ų | 91 | 86.2 Ų | 86.2 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 73.6 | 77.7 | 168 | 74.7 | 0 | 0 | 0 | 0 | 125.9 | K46 | K46-S111 CarbonylContact O-C 2.85Å; K46-S111 WeakPolarHBondContact O-CA 3.42Å; K46-S111 PolarHBondContact O-N 2.93Å |
| 112 | K | 46 | Very low | 44.8 | Very low | 171 Ų | 171 | 91 Ų | 91 | 74% | 0.743 | 49% | 0.489 | S | S | * | . | trans | 149.2 | 158.2 | 142 | -78.5 | 153.1 | -166.8 | 173.8 | 0 | 114.9 | K46 | K46-K112 PolarHBondContact O-N 3.01Š| ||
| 113 | I | 48 | Very low | 44.9 | Very low | 125 Ų | 125 | 89 Ų | 89 | 64% | 0.641 | 48% | 0.481 | S | S | * | . | trans | -131.2 | -15.6 | -152.1 | -71.3 | 170 | 0 | 0 | 0 | 116.6 | I116 | I113-I116 WeakPolarHBondContact O-CD1 3.41Å; I113-I116 WeakPolarHBondContact O-CG1 3.2Å | ||
| 114 | L | 38.5 | Very low | 45.2 | Very low | 157 Ų | 157 | 91.5 Ų | 91.5 | 82% | 0.822 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -45.5 | -158.1 | -154.4 | 67.8 | 0 | 0 | 0 | 118.3 | I116 | L114-I116 PolarHBondContact O-N 3.46Š|
| 115 | P | 42.3 | Very low | 45.4 | Very low | 98 Ų | 98 | 91.3 Ų | 91.3 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 17.1 | -170.7 | 32.8 | -36.4 | 0 | 0 | 0 | 115 | ||
| 116 | I | 46.2 | Very low | 45.5 | Very low | 12 Ų | 12 | 93.3 Ų | 93.3 | 6% | 0.062 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -84.1 | -36.1 | -171.7 | -58.1 | 172.6 | 0 | 0 | 0 | 112.1 | Y42 M45 I113 L114 L119 A120 | Y42-I116 HydrophobicContact CD2-CG2 3.68Å; Y42-I116 HydrophobicContact CE2-CG2 4.41Å; M45-I116 HydrophobicContact CB-CD1 3.45Å; M45-I116 VanDerWaalsContact CB-CD1 3.45Å; M45-I116 HydrophobicContact CB-CG1 4.05Å; M45-I116 HydrophobicContact CE-CB 4.43Å; M45-I116 HydrophobicContact CE-CG1 4.12Å; M45-I116 HydrophobicContact CE-CG2 4.04Å; M45-I116 HydrophobicContact CG-CD1 4.12Å; M45-I116 HydrophobicContact CG-CG1 4.23Å; M45-I116 HydrophobicContact SD-CD1 4.33Å; M45-I116 HydrophobicContact SD-CG1 3.85Å; I113-I116 WeakPolarHBondContact O-CD1 3.41Å; I113-I116 WeakPolarHBondContact O-CG1 3.2Å; L114-I116 PolarHBondContact O-N 3.46Å; I116-L119 PolarHBondContact O-N 3.41Å; I116-A120 PolarHBondContact O-N 3.47Å; I116-A120 VanDerWaalsContact O-N 3.15Å |
| 117 | V | 43.2 | Very low | 46.1 | Very low | 106 Ų | 106 | 87.9 Ų | 87.9 | 64% | 0.642 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.5 | -43.5 | -172.8 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | L119 A120 Y121 | V117-L119 VanDerWaalsContact C-N 3.33Å; V117-L119 PolarHBondContact O-N 3.33Å; V117-A120 PolarHBondContact O-N 3.31Å; V117-Y121 WeakPolarHBondContact O-CB 3.15Å; V117-Y121 PolarHBondContact O-N 3.39Å |
| 118 | D | 43.4 | Very low | 46.5 | Very low | 122 Ų | 122 | 82.5 Ų | 82.5 | 65% | 0.652 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.3 | -39.5 | -179.2 | -58.9 | -33 | 0 | 0 | 0 | 111.8 | Y121 F122 | D118-Y121 PolarHBondContact O-N 3.34Å; D118-F122 VanDerWaalsContact O-CB 3.29Å; D118-F122 WeakPolarHBondContact O-CB 3.45Å; D118-F122 PolarHBondContact O-N 3.4Å |
| 119 | L | 46.7 | Very low | 46.8 | Very low | 35 Ų | 35 | 83.3 Ų | 83.3 | 18% | 0.183 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -73.3 | -37.3 | 179.8 | -174.1 | 68.2 | 0 | 0 | 0 | 112.7 | M45 V56 I116 V117 Y121 N123 | M45-L119 HydrophobicContact CE-CD2 4.13Å; V56-L119 HydrophobicContact CG1-CD1 4.01Å; V56-L119 HydrophobicContact CG2-CD1 3.65Å; V56-L119 HydrophobicContact CG2-CD2 3.49Å; V56-L119 VanDerWaalsContact CG2-CD2 3.49Å; V56-L119 HydrophobicContact CG2-CG 4.22Å; I116-L119 PolarHBondContact O-N 3.41Å; V117-L119 VanDerWaalsContact C-N 3.33Å; V117-L119 PolarHBondContact O-N 3.33Å; L119-Y121 VanDerWaalsContact C-N 3.34Å; L119-N123 PolarHBondContact O-N 3.05Å; L119-N123 PolarHBondContact O-ND2 3.26Å |
| 120 | A | 46.9 | Very low | 47.3 | Very low | 47 Ų | 47 | 82.8 Ų | 82.8 | 39% | 0.388 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I116 V117 C124 | I116-A120 PolarHBondContact O-N 3.47Å; I116-A120 VanDerWaalsContact O-N 3.15Å; V117-A120 PolarHBondContact O-N 3.31Å; A120-C124 VanDerWaalsContact O-CB 3.27Å; A120-C124 WeakPolarHBondContact O-CB 3.41Å; A120-C124 PolarHBondContact O-N 3Å |
| 121 | Y | 46.1 | Very low | 47.8 | Very low | 168 Ų | 168 | 82.1 Ų | 82.1 | 66% | 0.659 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.9 | -46.7 | 175 | -168.6 | -95.9 | 0 | 0 | 0 | 111.9 | V117 D118 L119 N123 C124 V125 | V117-Y121 WeakPolarHBondContact O-CB 3.15Å; V117-Y121 PolarHBondContact O-N 3.39Å; D118-Y121 PolarHBondContact O-N 3.34Å; L119-Y121 VanDerWaalsContact C-N 3.34Å; Y121-N123 PolarHBondContact O-N 3.18Å; Y121-C124 WeakPolarHBondContact O-CB 3.47Å; Y121-C124 PolarHBondContact O-N 2.88Å; Y121-C124 VanDerWaalsContact O-N 3.11Å; Y121-V125 HydrophobicContact CD1-CG2 4.3Å; Y121-V125 HydrophobicContact CE1-CG2 3.99Å; Y121-V125 WeakPolarHBondContact O-CG2 3.44Å; Y121-V125 PolarHBondContact O-N 3.28Å |
| 122 | F | 48.1 | Very low | 48.1 | Very low | 114 Ų | 114 | 83.1 Ų | 83.1 | 50% | 0.5 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 178.7 | -163.3 | -110.1 | 0 | 0 | 0 | 112.1 | D118 V125 I126 | D118-F122 VanDerWaalsContact O-CB 3.29Å; D118-F122 WeakPolarHBondContact O-CB 3.45Å; D118-F122 PolarHBondContact O-N 3.4Å; F122-V125 PolarHBondContact O-N 3.38Å; F122-I126 HydrophobicContact CD1-CD1 3.64Å; F122-I126 HydrophobicContact CD2-CD1 4.5Å; F122-I126 HydrophobicContact CE1-CD1 3.25Å; F122-I126 HydrophobicContact CE2-CD1 4.18Å; F122-I126 HydrophobicContact CG-CD1 4.26Å; F122-I126 HydrophobicContact CZ-CD1 3.57Å; F122-I126 WeakPolarHBondContact O-CB 3Å; F122-I126 WeakPolarHBondContact O-CG1 3.34Å; F122-I126 PolarHBondContact O-N 3.47Å |
| 123 | N | 49.6 | Very low | 48.5 | Very low | 22 Ų | 22 | 79.8 Ų | 79.8 | 12% | 0.118 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 172.1 | -83.8 | -69 | 0 | 0 | 0 | 112.4 | L38 L119 Y121 V125 I126 Q127 | L38-N123 HydrophobicContact CD1-CB 3.53Å; L119-N123 PolarHBondContact O-N 3.05Å; L119-N123 PolarHBondContact O-ND2 3.26Å; Y121-N123 PolarHBondContact O-N 3.18Å; N123-V125 PolarHBondContact O-N 2.96Å; N123-I126 PolarHBondContact O-N 3.47Å; N123-Q127 WeakPolarHBondContact O-CB 3.33Å; N123-Q127 WeakPolarHBondContact O-CG 3.39Å; N123-Q127 PolarHBondContact O-N 2.78Å |
| 124 | C | 47.5 | Very low | 48.8 | Very low | 92 Ų | 92 | 74.5 Ų | 74.5 | 62% | 0.622 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.9 | -28 | 178.1 | -165 | 0 | 0 | 0 | 0 | 112.8 | A120 Y121 P128 | A120-C124 VanDerWaalsContact O-CB 3.27Å; A120-C124 WeakPolarHBondContact O-CB 3.41Å; A120-C124 PolarHBondContact O-N 3Å; Y121-C124 WeakPolarHBondContact O-CB 3.47Å; Y121-C124 PolarHBondContact O-N 2.88Å; Y121-C124 VanDerWaalsContact O-N 3.11Å; C124-P128 WeakPolarHBondContact O-CD 3.5Å; C124-P128 VanDerWaalsContact O-CG 3.23Å; C124-P128 WeakPolarHBondContact O-CG 3.39Å |
| 125 | V | 47.8 | Very low | 49.6 | Very low | 72 Ų | 72 | 69.7 Ų | 69.7 | 44% | 0.436 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -84.4 | -44 | 174 | 175.7 | 0 | 0 | 0 | 0 | 112.5 | Y121 F122 N123 C129 | Y121-V125 HydrophobicContact CD1-CG2 4.3Å; Y121-V125 HydrophobicContact CE1-CG2 3.99Å; Y121-V125 WeakPolarHBondContact O-CG2 3.44Å; Y121-V125 PolarHBondContact O-N 3.28Å; F122-V125 PolarHBondContact O-N 3.38Å; N123-V125 PolarHBondContact O-N 2.96Å; V125-C129 PolarHBondContact O-SG 3.49Å |
| 126 | I | 50.2 | Low | 50.1 | Low | 46 Ų | 46 | 68.3 Ų | 68.3 | 24% | 0.236 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.8 | -35.9 | -176.9 | -72.4 | -179.8 | 0 | 0 | 0 | 112.6 | F63 F122 N123 C129 R130 | F63-I126 HydrophobicContact CE2-CG2 4.38Å; F122-I126 HydrophobicContact CD1-CD1 3.64Å; F122-I126 HydrophobicContact CD2-CD1 4.5Å; F122-I126 HydrophobicContact CE1-CD1 3.25Å; F122-I126 HydrophobicContact CE2-CD1 4.18Å; F122-I126 HydrophobicContact CG-CD1 4.26Å; F122-I126 HydrophobicContact CZ-CD1 3.57Å; F122-I126 WeakPolarHBondContact O-CB 3Å; F122-I126 WeakPolarHBondContact O-CG1 3.34Å; F122-I126 PolarHBondContact O-N 3.47Å; N123-I126 PolarHBondContact O-N 3.47Å; I126-C129 PolarHBondContact O-N 2.84Å; I126-R130 PolarHBondContact O-N 2.84Å |
| 127 | Q | 54.2 | Low | 50.5 | Low | 21 Ų | 21 | 73.4 Ų | 73.4 | 10% | 0.098 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.7 | -47.2 | -174 | -62.6 | -77.8 | -11.7 | 0 | 0 | 112.8 | T31 N123 C129 R130 F131 | T31-Q127 HydrophobicContact CG2-CB 4.21Å; N123-Q127 WeakPolarHBondContact O-CB 3.33Å; N123-Q127 WeakPolarHBondContact O-CG 3.39Å; N123-Q127 PolarHBondContact O-N 2.78Å; Q127-C129 VanDerWaalsContact C-N 3.29Å; Q127-C129 PolarHBondContact O-N 3.39Å; Q127-R130 PolarHBondContact O-N 3.39Å; Q127-R130 VanDerWaalsContact OE1-CZ 3.28Å; Q127-F131 WeakPolarHBondContact O-CB 3.45Å; Q127-F131 PolarHBondContact O-N 3.25Å |
| 128 | P | 51.1 | Low | 51 | Low | 72 Ų | 72 | 68.8 Ų | 68.8 | 47% | 0.468 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 171.2 | -23.5 | 34.5 | 0 | 0 | 0 | 112.5 | C124 F131 L132 | C124-P128 WeakPolarHBondContact O-CD 3.5Å; C124-P128 VanDerWaalsContact O-CG 3.23Å; C124-P128 WeakPolarHBondContact O-CG 3.39Å; P128-F131 PolarHBondContact O-N 2.98Å; P128-L132 WeakPolarHBondContact O-CB 3.46Å; P128-L132 PolarHBondContact O-N 3.37Å |
| 129 | C | 50.8 | Low | 51.5 | Low | 67 Ų | 67 | 66.7 Ų | 66.7 | 45% | 0.453 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 176.9 | -66.4 | 0 | 0 | 0 | 0 | 111.8 | V125 I126 Q127 L132 I133 | V125-C129 PolarHBondContact O-SG 3.49Å; I126-C129 PolarHBondContact O-N 2.84Å; Q127-C129 VanDerWaalsContact C-N 3.29Å; Q127-C129 PolarHBondContact O-N 3.39Å; C129-L132 PolarHBondContact O-N 3.29Å; C129-I133 WeakPolarHBondContact O-CB 3.22Å; C129-I133 WeakPolarHBondContact O-CD1 3.45Å; C129-I133 WeakPolarHBondContact O-CG1 3.43Å; C129-I133 PolarHBondContact O-N 3.3Å |
| 130 | R | 53.2 | Low | 51.8 | Low | 20 Ų | 20 | 70.4 Ų | 70.4 | 8% | 0.075 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 173.5 | -169.9 | -179.5 | 87.7 | -129.5 | -8.1 | 110.8 | E27 T31 F63 I126 Q127 I133 F134 | E27-R130 VanDerWaalsContact CD-NE 3.32Å; E27-R130 IonicContact OE1-CZ 3.25Å; E27-R130 IonicContact OE1-NE 3Å; E27-R130 PolarHBondContact OE1-NE 3.22Å; E27-R130 IonicContact OE1-NH2 2.69Å; E27-R130 IonicContact OE2-CZ 3.27Å; E27-R130 VanDerWaalsContact OE2-CZ 3.25Å; E27-R130 IonicContact OE2-NE 2.85Å; E27-R130 PolarHBondContact OE2-NE 3.02Å; E27-R130 IonicContact OE2-NH2 3.76Å; E27-R130 PolarHBondContact OE2-NH2 3.17Å; T31-R130 PolarHBondContact OG1-NH2 3.34Å; T31-R130 VanDerWaalsContact OG1-NH2 3.1Å; F63-R130 HydrophobicContact CE2-CB 4.29Å; F63-R130 HydrophobicContact CE2-CG 3.95Å; I126-R130 PolarHBondContact O-N 2.84Å; Q127-R130 PolarHBondContact O-N 3.39Å; Q127-R130 VanDerWaalsContact OE1-CZ 3.28Å; R130-I133 PolarHBondContact O-N 3.19Å; R130-F134 VanDerWaalsContact O-CB 3.28Å; R130-F134 WeakPolarHBondContact O-CB 3.42Å; R130-F134 PolarHBondContact O-N 3.43Å |
| 131 | F | 56.7 | Low | 52.2 | Low | 66 Ų | 66 | 68.6 Ų | 68.6 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | -179.7 | -170.3 | -110.2 | 0 | 0 | 0 | 112.5 | I24 A28 Q127 P128 F134 I135 | I24-F131 HydrophobicContact CG2-CE2 4.38Å; I24-F131 HydrophobicContact CG2-CZ 4.45Å; A28-F131 HydrophobicContact CB-CE2 4.42Å; Q127-F131 WeakPolarHBondContact O-CB 3.45Å; Q127-F131 PolarHBondContact O-N 3.25Å; P128-F131 PolarHBondContact O-N 2.98Å; F131-F134 PolarHBondContact O-N 2.92Å; F131-I135 HydrophobicContact CD1-CD1 3.73Å; F131-I135 HydrophobicContact CE1-CD1 3.36Å; F131-I135 HydrophobicContact CE1-CG1 4.35Å; F131-I135 HydrophobicContact CG-CD1 4.47Å; F131-I135 HydrophobicContact CZ-CD1 3.8Å; F131-I135 HydrophobicContact CZ-CG1 4.44Å; F131-I135 WeakPolarHBondContact O-CB 3.37Å; F131-I135 WeakPolarHBondContact O-CG1 3.46Å; F131-I135 PolarHBondContact O-N 2.9Å |
| 132 | L | 53.7 | Low | 52.5 | Low | 113 Ų | 113 | 62.3 Ų | 62.3 | 59% | 0.592 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.9 | -47.5 | 174.2 | -114 | 163.7 | 0 | 0 | 0 | 112 | P128 C129 F134 I135 V136 | P128-L132 WeakPolarHBondContact O-CB 3.46Å; P128-L132 PolarHBondContact O-N 3.37Å; C129-L132 PolarHBondContact O-N 3.29Å; L132-F134 VanDerWaalsContact C-N 3.32Å; L132-F134 PolarHBondContact O-N 3.37Å; L132-I135 PolarHBondContact O-N 3.34Å; L132-V136 WeakPolarHBondContact O-CG2 3.44Å; L132-V136 PolarHBondContact O-N 3.42Å |
| 133 | I | 54.3 | Low | 52.8 | Low | 100 Ų | 100 | 63.1 Ų | 63.1 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.3 | -50.8 | 173.3 | -72 | 167.5 | 0 | 0 | 0 | 108.8 | C129 R130 I135 V136 Y137 | C129-I133 WeakPolarHBondContact O-CB 3.22Å; C129-I133 WeakPolarHBondContact O-CD1 3.45Å; C129-I133 WeakPolarHBondContact O-CG1 3.43Å; C129-I133 PolarHBondContact O-N 3.3Å; R130-I133 PolarHBondContact O-N 3.19Å; I133-I135 PolarHBondContact O-N 3.23Å; I133-V136 PolarHBondContact O-N 3.33Å; I133-V136 VanDerWaalsContact O-N 3.16Å; I133-Y137 HydrophobicContact CG2-CD2 3.64Å; I133-Y137 HydrophobicContact CG2-CE2 3.69Å; I133-Y137 WeakPolarHBondContact O-CB 3.48Å; I133-Y137 WeakPolarHBondContact O-CD2 3.47Å; I133-Y137 PolarHBondContact O-N 2.74Å |
| 134 | F | 54.1 | Low | 52.9 | Low | 15 Ų | 15 | 64.8 Ų | 64.8 | 7% | 0.066 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | -179.2 | -165.7 | -99.7 | 0 | 0 | 0 | 113.1 | M23 I24 E27 I70 R130 F131 L132 V136 Y137 C138 | M23-F134 HydrophobicContact CB-CE1 3.95Å; M23-F134 HydrophobicContact CB-CZ 3.78Å; M23-F134 HydrophobicContact CG-CZ 4.18Å; M23-F134 HydrophobicContact SD-CZ 3.93Å; I24-F134 HydrophobicContact CG1-CE1 4.41Å; E27-F134 HydrophobicContact CB-CD1 4.17Å; E27-F134 HydrophobicContact CB-CE1 4.15Å; E27-F134 HydrophobicContact CG-CD1 3.77Å; E27-F134 HydrophobicContact CG-CD2 4.06Å; E27-F134 HydrophobicContact CG-CE1 3.76Å; E27-F134 HydrophobicContact CG-CE2 4.08Å; E27-F134 HydrophobicContact CG-CG 3.9Å; E27-F134 HydrophobicContact CG-CZ 3.91Å; I70-F134 HydrophobicContact CD1-CD2 4.12Å; I70-F134 HydrophobicContact CD1-CE2 3.86Å; I70-F134 HydrophobicContact CG1-CE2 4.48Å; R130-F134 VanDerWaalsContact O-CB 3.28Å; R130-F134 WeakPolarHBondContact O-CB 3.42Å; R130-F134 PolarHBondContact O-N 3.43Å; F131-F134 PolarHBondContact O-N 2.92Å; L132-F134 VanDerWaalsContact C-N 3.32Å; L132-F134 PolarHBondContact O-N 3.37Å; F134-V136 PolarHBondContact O-N 2.9Å; F134-Y137 PolarHBondContact O-N 3.47Å; F134-C138 WeakPolarHBondContact CE1-SG 3.39Å; F134-C138 WeakPolarHBondContact O-CB 3.44Å; F134-C138 PolarHBondContact O-N 3.49Å; F134-C138 PolarHBondContact O-SG 3.21Å |
| 135 | I | 54.5 | Low | 53.1 | Low | 56 Ų | 56 | 62.6 Ų | 62.6 | 29% | 0.287 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.8 | -48.9 | 173.7 | -79 | 173.1 | 0 | 0 | 0 | 111.2 | W16 F131 L132 I133 Y137 C138 H139 | W16-I135 HydrophobicContact CH2-CG2 4.38Å; F131-I135 HydrophobicContact CD1-CD1 3.73Å; F131-I135 HydrophobicContact CE1-CD1 3.36Å; F131-I135 HydrophobicContact CE1-CG1 4.35Å; F131-I135 HydrophobicContact CG-CD1 4.47Å; F131-I135 HydrophobicContact CZ-CD1 3.8Å; F131-I135 HydrophobicContact CZ-CG1 4.44Å; F131-I135 WeakPolarHBondContact O-CB 3.37Å; F131-I135 WeakPolarHBondContact O-CG1 3.46Å; F131-I135 PolarHBondContact O-N 2.9Å; L132-I135 PolarHBondContact O-N 3.34Å; I133-I135 PolarHBondContact O-N 3.23Å; I135-Y137 VanDerWaalsContact C-N 3.33Å; I135-Y137 PolarHBondContact O-N 3.4Å; I135-C138 PolarHBondContact O-N 2.82Å; I135-H139 VanDerWaalsContact O-CB 3.3Å; I135-H139 WeakPolarHBondContact O-CB 3.46Å; I135-H139 PolarHBondContact O-N 3.41Å |
| 136 | V | 54.3 | Low | 53.6 | Low | 69 Ų | 69 | 61.6 Ų | 61.6 | 42% | 0.418 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 179.4 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | L132 I133 F134 H139 H140 | L132-V136 WeakPolarHBondContact O-CG2 3.44Å; L132-V136 PolarHBondContact O-N 3.42Å; I133-V136 PolarHBondContact O-N 3.33Å; I133-V136 VanDerWaalsContact O-N 3.16Å; F134-V136 PolarHBondContact O-N 2.9Å; V136-H139 PolarHBondContact O-N 3.46Å; V136-H140 PolarHBondContact O-CD2 3.14Å; V136-H140 PolarHBondContact O-N 3.1Å |
| 137 | Y | 53.6 | Low | 53.8 | Low | 119 Ų | 119 | 67.4 Ų | 67.4 | 47% | 0.467 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.4 | -42.7 | 177.8 | -89 | -105.8 | 0 | 0 | 0 | 112.7 | I133 F134 I135 H140 G141 | I133-Y137 HydrophobicContact CG2-CD2 3.64Å; I133-Y137 HydrophobicContact CG2-CE2 3.69Å; I133-Y137 WeakPolarHBondContact O-CB 3.48Å; I133-Y137 WeakPolarHBondContact O-CD2 3.47Å; I133-Y137 PolarHBondContact O-N 2.74Å; F134-Y137 PolarHBondContact O-N 3.47Å; I135-Y137 VanDerWaalsContact C-N 3.33Å; I135-Y137 PolarHBondContact O-N 3.4Å; Y137-H140 PolarHBondContact O-N 2.92Å; Y137-G141 PolarHBondContact O-N 3.27Å |
| 138 | C | 54.4 | Low | 53.9 | Low | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.054 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 174.1 | -76.9 | 0 | 0 | 0 | 0 | 112.1 | W16 F134 I135 G141 A142 | W16-C138 HydrophobicContact CZ3-CB 3.99Å; F134-C138 WeakPolarHBondContact CE1-SG 3.39Å; F134-C138 WeakPolarHBondContact O-CB 3.44Å; F134-C138 PolarHBondContact O-N 3.49Å; F134-C138 PolarHBondContact O-SG 3.21Å; I135-C138 PolarHBondContact O-N 2.82Å; C138-G141 PolarHBondContact O-N 2.85Å; C138-A142 WeakPolarHBondContact O-CB 3.44Å; C138-A142 PolarHBondContact O-N 2.96Å |
| 139 | H | 53.6 | Low | 54.3 | Low | 79 Ų | 79 | 73 Ų | 73 | 37% | 0.366 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 175.7 | 171.9 | -104.1 | 0 | 0 | 0 | 112 | I135 V136 R143 | I135-H139 VanDerWaalsContact O-CB 3.3Å; I135-H139 WeakPolarHBondContact O-CB 3.46Å; I135-H139 PolarHBondContact O-N 3.41Å; V136-H139 PolarHBondContact O-N 3.46Å; H139-R143 PolarHBondContact CE1-NE 3.23Å; H139-R143 PolarHBondContact CE1-NH2 3.4Å; H139-R143 VanDerWaalsContact CE1-NH2 3.3Å; H139-R143 PolarHBondContact NE2-NE 2.9Å; H139-R143 PolarHBondContact NE2-NH2 2.93Å; H139-R143 WeakPolarHBondContact O-CG 3.44Å; H139-R143 PolarHBondContact O-N 3.01Å |
| 140 | H | 53.8 | Low | 54.8 | Low | 112 Ų | 112 | 75 Ų | 75 | 52% | 0.519 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 170.3 | -93.1 | -81.5 | 0 | 0 | 0 | 112.3 | V136 Y137 R143 C144 | V136-H140 PolarHBondContact O-CD2 3.14Å; V136-H140 PolarHBondContact O-N 3.1Å; Y137-H140 PolarHBondContact O-N 2.92Å; H140-R143 WeakPolarHBondContact O-CB 3.25Å; H140-R143 PolarHBondContact O-N 3.1Å; H140-C144 PolarHBondContact O-N 3.02Å; H140-C144 PolarHBondContact O-SG 3.03Å; H140-C144 VanDerWaalsContact O-SG 3.4Å |
| 141 | G | 53.7 | Low | 55.4 | Low | 10 Ų | 10 | 78.5 Ų | 78.5 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y137 C138 R143 C144 D145 | Y137-G141 PolarHBondContact O-N 3.27Å; C138-G141 PolarHBondContact O-N 2.85Å; G141-R143 VanDerWaalsContact C-N 3.3Å; G141-R143 PolarHBondContact O-N 2.97Å; G141-C144 WeakPolarHBondContact O-CB 3.39Å; G141-C144 PolarHBondContact O-N 2.9Å; G141-D145 PolarHBondContact O-N 3.23Å |
| 142 | A | 54 | Low | 56 | Low | 35 Ų | 35 | 77.8 Ų | 77.8 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.1 | -35.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C138 D145 A146 | C138-A142 WeakPolarHBondContact O-CB 3.44Å; C138-A142 PolarHBondContact O-N 2.96Å; A142-D145 PolarHBondContact O-N 3.42Å; A142-A146 PolarHBondContact O-N 3.42Å; A142-A146 VanDerWaalsContact O-N 3.13Å |
| 143 | R | 53.2 | Low | 56.8 | Low | 132 Ų | 132 | 78.4 Ų | 78.4 | 50% | 0.498 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.3 | -43 | 171.6 | -72 | 177.7 | 176.8 | -151.1 | -4.7 | 111.8 | H139 H140 G141 D145 A146 Y147 | H139-R143 PolarHBondContact CE1-NE 3.23Å; H139-R143 PolarHBondContact CE1-NH2 3.4Å; H139-R143 VanDerWaalsContact CE1-NH2 3.3Å; H139-R143 PolarHBondContact NE2-NE 2.9Å; H139-R143 PolarHBondContact NE2-NH2 2.93Å; H139-R143 WeakPolarHBondContact O-CG 3.44Å; H139-R143 PolarHBondContact O-N 3.01Å; H140-R143 WeakPolarHBondContact O-CB 3.25Å; H140-R143 PolarHBondContact O-N 3.1Å; G141-R143 VanDerWaalsContact C-N 3.3Å; G141-R143 PolarHBondContact O-N 2.97Å; R143-D145 VanDerWaalsContact C-N 3.33Å; R143-D145 PolarHBondContact O-N 3.13Å; R143-A146 PolarHBondContact O-N 2.99Å; R143-Y147 WeakPolarHBondContact O-CD2 3.35Å; R143-Y147 PolarHBondContact O-N 3.39Å |
| 144 | C | 52.1 | Low | 57.7 | Low | 56 Ų | 56 | 78.9 Ų | 78.9 | 38% | 0.378 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59 | -44.7 | 173.7 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | Y77 H140 G141 A146 Y147 H148 | Y77-C144 HydrophobicContact CE2-CB 3.89Å; Y77-C144 WeakPolarHBondContact OH-CB 3.5Å; Y77-C144 PolarHBondContact OH-O 3.25Å; H140-C144 PolarHBondContact O-N 3.02Å; H140-C144 PolarHBondContact O-SG 3.03Å; H140-C144 VanDerWaalsContact O-SG 3.4Å; G141-C144 WeakPolarHBondContact O-CB 3.39Å; G141-C144 PolarHBondContact O-N 2.9Å; C144-A146 VanDerWaalsContact C-N 3.35Å; C144-A146 PolarHBondContact O-N 3.48Å; C144-Y147 PolarHBondContact O-N 3.5Å; C144-Y147 VanDerWaalsContact O-N 3.1Å; C144-H148 PolarHBondContact O-N 2.85Å |
| 145 | D | 52.8 | Low | 58.6 | Low | 47 Ų | 47 | 84.1 Ų | 84.1 | 25% | 0.251 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.7 | -47.7 | 179.8 | -176.7 | 14.4 | 0 | 0 | 0 | 110.7 | Y77 G141 A142 R143 Y147 H148 R149 | Y77-D145 VanDerWaalsContact OH-CA 3.25Å; Y77-D145 WeakPolarHBondContact OH-CA 3.35Å; Y77-D145 PolarHBondContact OH-N 2.87Å; G141-D145 PolarHBondContact O-N 3.23Å; A142-D145 PolarHBondContact O-N 3.42Å; R143-D145 VanDerWaalsContact C-N 3.33Å; R143-D145 PolarHBondContact O-N 3.13Å; D145-Y147 PolarHBondContact O-N 3.43Å; D145-H148 PolarHBondContact O-N 3.1Å; D145-R149 WeakPolarHBondContact O-CG 3.21Å; D145-R149 PolarHBondContact O-N 2.75Å; D145-R149 IonicContact OD1-CZ 3.58Å; D145-R149 IonicContact OD1-NE 2.74Å; D145-R149 PolarHBondContact OD1-NE 3.37Å; D145-R149 IonicContact OD1-NH2 3.64Å; D145-R149 PolarHBondContact OD1-NH2 2.94Å; D145-R149 IonicContact OD2-CZ 3.57Å; D145-R149 IonicContact OD2-NE 3.49Å; D145-R149 IonicContact OD2-NH2 2.82Å; D145-R149 PolarHBondContact OD2-NH2 3.09Å |
| 146 | A | 57 | Low | 59.5 | Low | 50 Ų | 50 | 87.2 Ų | 87.2 | 41% | 0.413 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A142 R143 C144 H148 F150 | A142-A146 PolarHBondContact O-N 3.42Å; A142-A146 VanDerWaalsContact O-N 3.13Å; R143-A146 PolarHBondContact O-N 2.99Å; C144-A146 VanDerWaalsContact C-N 3.35Å; C144-A146 PolarHBondContact O-N 3.48Å; A146-H148 PolarHBondContact O-N 3.01Å; A146-F150 WeakPolarHBondContact O-CB 3.45Å; A146-F150 PolarHBondContact O-N 3.12Å; A146-F150 VanDerWaalsContact O-N 3.12Å |
| 147 | Y | 54.8 | Low | 60.4 | Low | 169 Ų | 169 | 89.4 Ų | 89.4 | 66% | 0.663 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65 | -36.2 | 177 | -94.6 | -72.8 | 0 | 0 | 0 | 113.5 | R143 C144 D145 L151 | R143-Y147 WeakPolarHBondContact O-CD2 3.35Å; R143-Y147 PolarHBondContact O-N 3.39Å; C144-Y147 PolarHBondContact O-N 3.5Å; C144-Y147 VanDerWaalsContact O-N 3.1Å; D145-Y147 PolarHBondContact O-N 3.43Å; Y147-L151 PolarHBondContact O-N 3.12Å; Y147-L151 VanDerWaalsContact O-N 3.12Å |
| 148 | H | 56.2 | Low | 61.3 | Low | 75 Ų | 75 | 88.8 Ų | 88.8 | 35% | 0.347 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -76.4 | -39.5 | -179.7 | -175.3 | 47.9 | 0 | 0 | 0 | 112.3 | Y77 C144 D145 A146 F150 L151 V152 | Y77-H148 HydrophobicContact CE1-CB 3.55Å; Y77-H148 AromaticContact CE1-CD2 3.56Å; Y77-H148 AromaticContact CE1-CG 3.61Å; C144-H148 PolarHBondContact O-N 2.85Å; D145-H148 PolarHBondContact O-N 3.1Å; A146-H148 PolarHBondContact O-N 3.01Å; H148-F150 VanDerWaalsContact C-N 3.28Å; H148-F150 PolarHBondContact O-N 3.43Å; H148-L151 WeakPolarHBondContact O-CB 3.36Å; H148-L151 PolarHBondContact O-N 3.01Å; H148-L151 VanDerWaalsContact O-N 3.09Å; H148-V152 WeakPolarHBondContact O-CG2 3.38Å; H148-V152 PolarHBondContact O-N 3.5Å |
| 149 | R | 58.8 | Low | 62.2 | Low | 136 Ų | 136 | 95.4 Ų | 95.4 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 172.1 | -66.2 | -176 | -153.2 | -169.2 | 8.8 | 111.3 | D145 L151 V152 E153 | D145-R149 WeakPolarHBondContact O-CG 3.21Å; D145-R149 PolarHBondContact O-N 2.75Å; D145-R149 IonicContact OD1-CZ 3.58Å; D145-R149 IonicContact OD1-NE 2.74Å; D145-R149 PolarHBondContact OD1-NE 3.37Å; D145-R149 IonicContact OD1-NH2 3.64Å; D145-R149 PolarHBondContact OD1-NH2 2.94Å; D145-R149 IonicContact OD2-CZ 3.57Å; D145-R149 IonicContact OD2-NE 3.49Å; D145-R149 IonicContact OD2-NH2 2.82Å; D145-R149 PolarHBondContact OD2-NH2 3.09Å; R149-L151 VanDerWaalsContact C-N 3.3Å; R149-L151 PolarHBondContact O-N 2.84Å; R149-V152 PolarHBondContact O-N 3.21Å; R149-E153 WeakPolarHBondContact O-CB 3.43Å; R149-E153 WeakPolarHBondContact O-CG 3.13Å; R149-E153 PolarHBondContact O-N 3.35Å |
| 150 | F | 62.7 | Low | 63.1 | Low | 108 Ų | 108 | 99.9 Ų | 99.9 | 47% | 0.474 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.3 | -40 | 173.2 | -178.8 | -91.8 | 0 | 0 | 0 | 112.7 | A146 H148 Y154 | A146-F150 WeakPolarHBondContact O-CB 3.45Å; A146-F150 PolarHBondContact O-N 3.12Å; A146-F150 VanDerWaalsContact O-N 3.12Å; H148-F150 VanDerWaalsContact C-N 3.28Å; H148-F150 PolarHBondContact O-N 3.43Å; F150-Y154 WeakPolarHBondContact O-CB 3.48Å; F150-Y154 PolarHBondContact O-N 3.03Å |
| 151 | L | 66 | Low | 63.6 | Low | 93 Ų | 93 | 103.6 Ų | 103.6 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 174.9 | -87.6 | 159.1 | 0 | 0 | 0 | 112.6 | Y147 H148 R149 Y154 E155 | Y147-L151 PolarHBondContact O-N 3.12Å; Y147-L151 VanDerWaalsContact O-N 3.12Å; H148-L151 WeakPolarHBondContact O-CB 3.36Å; H148-L151 PolarHBondContact O-N 3.01Å; H148-L151 VanDerWaalsContact O-N 3.09Å; R149-L151 VanDerWaalsContact C-N 3.3Å; R149-L151 PolarHBondContact O-N 2.84Å; L151-Y154 PolarHBondContact O-N 3.49Å; L151-E155 WeakPolarHBondContact O-CG 3.24Å; L151-E155 PolarHBondContact O-N 3.22Å |
| 152 | V | 68.3 | Low | 64.1 | Low | 52 Ų | 52 | 108.3 Ų | 108.3 | 32% | 0.315 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.4 | -46.4 | 178.6 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | H148 R149 Y154 E155 E156 | H148-V152 WeakPolarHBondContact O-CG2 3.38Å; H148-V152 PolarHBondContact O-N 3.5Å; R149-V152 PolarHBondContact O-N 3.21Å; V152-Y154 PolarHBondContact O-N 3.21Å; V152-E155 PolarHBondContact O-N 2.91Å; V152-E156 WeakPolarHBondContact O-CG 3.46Å; V152-E156 PolarHBondContact O-N 2.94Å |
| 153 | E | 71.4 | Confident | 64.7 | Low | 126 Ų | 126 | 112.2 Ų | 112.2 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.3 | -33.2 | 174.8 | -71.6 | 172.4 | -168.7 | 0 | 0 | 111.7 | R149 F157 | R149-E153 WeakPolarHBondContact O-CB 3.43Å; R149-E153 WeakPolarHBondContact O-CG 3.13Å; R149-E153 PolarHBondContact O-N 3.35Å; E153-F157 VanDerWaalsContact O-CB 3.24Å; E153-F157 WeakPolarHBondContact O-CB 3.24Å; E153-F157 PolarHBondContact O-N 3.35Å |
| 154 | Y | 71.9 | Confident | 65.3 | Low | 109 Ų | 109 | 111.1 Ų | 111.1 | 43% | 0.427 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.3 | -42.8 | 174.4 | -172.7 | -83.6 | 0 | 0 | 0 | 112.4 | F150 L151 V152 F157 E158 | F150-Y154 WeakPolarHBondContact O-CB 3.48Å; F150-Y154 PolarHBondContact O-N 3.03Å; L151-Y154 PolarHBondContact O-N 3.49Å; V152-Y154 PolarHBondContact O-N 3.21Å; Y154-F157 PolarHBondContact O-N 2.96Å; Y154-E158 HydrophobicContact CD1-CG 4.3Å; Y154-E158 HydrophobicContact CE1-CG 3.71Å; Y154-E158 VanDerWaalsContact CE1-OE1 3.24Å; Y154-E158 WeakPolarHBondContact CE1-OE1 3.45Å; Y154-E158 VanDerWaalsContact CZ-OE1 3.24Å; Y154-E158 PolarHBondContact O-N 2.89Å; Y154-E158 PolarHBondContact OH-OE1 3.04Å |
| 155 | E | 73.6 | Confident | 66.1 | Low | 126 Ų | 126 | 114.3 Ų | 114.3 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.9 | -42.8 | 174.9 | -76.5 | -177.9 | 164 | 0 | 0 | 111.7 | L151 V152 F157 E158 L159 | L151-E155 WeakPolarHBondContact O-CG 3.24Å; L151-E155 PolarHBondContact O-N 3.22Å; V152-E155 PolarHBondContact O-N 2.91Å; E155-F157 PolarHBondContact O-N 3.18Å; E155-E158 PolarHBondContact O-N 3.37Å; E155-L159 WeakPolarHBondContact O-CG 3.33Å; E155-L159 PolarHBondContact O-N 2.6Å |
| 156 | E | 74 | Confident | 66.9 | Low | 121 Ų | 121 | 118.5 Ų | 118.5 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.1 | -43.1 | 173.6 | -72.2 | -179.2 | 171 | 0 | 0 | 111.4 | V152 E158 L159 E160 | V152-E156 WeakPolarHBondContact O-CG 3.46Å; V152-E156 PolarHBondContact O-N 2.94Å; E156-E158 PolarHBondContact O-N 3.33Å; E156-L159 PolarHBondContact O-N 2.95Å; E156-E160 PolarHBondContact O-N 3.1Å |
| 157 | F | 73.8 | Confident | 67.6 | Low | 114 Ų | 114 | 123.1 Ų | 123.1 | 50% | 0.5 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71.9 | -24.9 | 178.5 | -176.6 | -110.2 | 0 | 0 | 0 | 114.8 | E153 Y154 E155 | E153-F157 VanDerWaalsContact O-CB 3.24Å; E153-F157 WeakPolarHBondContact O-CB 3.24Å; E153-F157 PolarHBondContact O-N 3.35Å; Y154-F157 PolarHBondContact O-N 2.96Å; E155-F157 PolarHBondContact O-N 3.18Å |
| 158 | E | 72 | Confident | 68.5 | Low | 106 Ų | 106 | 119.8 Ų | 119.8 | 50% | 0.495 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -77.7 | -29 | 168.2 | -78.3 | -159 | 167 | 0 | 0 | 112.6 | Y154 E155 E156 | Y154-E158 HydrophobicContact CD1-CG 4.3Å; Y154-E158 HydrophobicContact CE1-CG 3.71Å; Y154-E158 VanDerWaalsContact CE1-OE1 3.24Å; Y154-E158 WeakPolarHBondContact CE1-OE1 3.45Å; Y154-E158 VanDerWaalsContact CZ-OE1 3.24Å; Y154-E158 PolarHBondContact O-N 2.89Å; Y154-E158 PolarHBondContact OH-OE1 3.04Å; E155-E158 PolarHBondContact O-N 3.37Å; E156-E158 PolarHBondContact O-N 3.33Å |
| 159 | L | 72.6 | Confident | 69.4 | Low | 147 Ų | 147 | 123.2 Ų | 123.2 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.3 | -22.1 | 176 | -75.8 | 166.4 | 0 | 0 | 0 | 114.1 | E155 E156 K161 | E155-L159 WeakPolarHBondContact O-CG 3.33Å; E155-L159 PolarHBondContact O-N 2.6Å; E156-L159 PolarHBondContact O-N 2.95Å; L159-K161 VanDerWaalsContact C-N 3.34Å |
| 160 | E | 72.4 | Confident | 70.3 | Confident | 173 Ų | 173 | 122.2 Ų | 122.2 | 81% | 0.808 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 1.4 | 175.7 | -72 | -165.6 | 152.4 | 0 | 0 | 114.8 | E156 | E156-E160 PolarHBondContact O-N 3.1Š|
| 161 | K | 65 | Low | 71 | Confident | 191 Ų | 191 | 123.5 Ų | 123.5 | 83% | 0.83 | 58% | 0.58 | S | S | * | * | trans | -103.3 | 0 | -177.7 | -76.8 | 178.1 | -177.3 | 159.2 | 0 | 115 | L159 | L159-K161 VanDerWaalsContact C-N 3.34Š|
Retrieved 161 of 161 residues in 46.3 ms
(Link to these results)