| 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 | 40.1 | Very low | 36.2 | Very low | 245 Ų | 245 | 143.1 Ų | 143.1 | 100% | 1.207 | 79% | 0.786 | S | S | * | * | 0 | 94.7 | 0 | -82.2 | 178.8 | 170.1 | 0 | 0 | 108.8 | |||||
| 2 | L | 34 | Very low | 36.3 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | trans | -89 | 110.5 | 176 | -78 | 160.8 | 0 | 0 | 0 | 108.4 | ||||
| 3 | K | 29 | Very low | 35.9 | Very low | 192 Ų | 192 | 145.6 Ų | 145.6 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -64.6 | 137.2 | 168.6 | -91.4 | 178.5 | 173 | 177.1 | 0 | 108.7 | V5 | K3-V5 PolarHBondContact O-N 3.38Š| ||
| 4 | P | 39.8 | Very low | 36.1 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -67.5 | 124.5 | 178.2 | 26.8 | -31.4 | 0 | 0 | 0 | 109.5 | V6 | P4-V6 PolarHBondContact O-N 2.87Š| ||
| 5 | V | 39.2 | Very low | 36.1 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -64 | 104.1 | 170.8 | 175.9 | 0 | 0 | 0 | 0 | 107.2 | K3 A7 | K3-V5 PolarHBondContact O-N 3.38Å; V5-A7 PolarHBondContact O-N 3.47Å; V5-A7 VanDerWaalsContact O-N 3.08Å | ||
| 6 | V | 37.6 | Very low | 36.4 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -72.4 | 98.2 | 168.9 | 178.3 | 0 | 0 | 0 | 0 | 106 | P4 G8 | P4-V6 PolarHBondContact O-N 2.87Å; V6-G8 PolarHBondContact O-N 2.82Å | ||
| 7 | A | 36.8 | Very low | 36.7 | Very low | 78 Ų | 78 | 136.6 Ų | 136.6 | 65% | 0.645 | 73% | 0.729 | S | S | * | * | trans | -56.6 | 112.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109 | V5 | V5-A7 PolarHBondContact O-N 3.47Å; V5-A7 VanDerWaalsContact O-N 3.08Å | ||
| 8 | G | 30.5 | Very low | 37.3 | Very low | 30 Ų | 30 | 136.9 Ų | 136.9 | 31% | 0.309 | 73% | 0.731 | S | S | . | * | trans | -66.9 | 161.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | V6 R10 D11 | V6-G8 PolarHBondContact O-N 2.82Å; G8-R10 PolarHBondContact O-N 3.28Å; G8-D11 PolarHBondContact O-N 3.1Å | ||
| 9 | P | 46.8 | Very low | 37.9 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 96% | 0.955 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -1 | -174.6 | -17.3 | 30.1 | 0 | 0 | 0 | 114.8 | ||
| 10 | R | 35.1 | Very low | 38.5 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -13.4 | -178.6 | -82.3 | -171.1 | -103.6 | -169.9 | -4.1 | 115 | G8 F12 Q13 | G8-R10 PolarHBondContact O-N 3.28Å; R10-F12 PolarHBondContact O-N 3.23Å; R10-F12 VanDerWaalsContact O-N 3.14Å; R10-Q13 WeakPolarHBondContact O-CG 3.5Å; R10-Q13 PolarHBondContact O-N 2.97Å; R10-Q13 PolarHBondContact O-OE1 3.47Å |
| 11 | D | 29.3 | Very low | 39.1 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -80.1 | 5.5 | -176.7 | -60.5 | -33.8 | 0 | 0 | 0 | 113.9 | G8 Q13 | G8-D11 PolarHBondContact O-N 3.1Å; D11-Q13 PolarHBondContact O-N 3.26Å |
| 12 | F | 37.5 | Very low | 39.8 | Very low | 173 Ų | 173 | 122 Ų | 122 | 76% | 0.759 | 65% | 0.651 | S | S | * | * | trans | -92.7 | 45.2 | 158.6 | -160.6 | -102.8 | 0 | 0 | 0 | 110.3 | R10 I14 | R10-F12 PolarHBondContact O-N 3.23Å; R10-F12 VanDerWaalsContact O-N 3.14Å; F12-I14 VanDerWaalsContact C-N 3.33Å; F12-I14 HydrophobicContact CD1-CD1 4.17Å; F12-I14 HydrophobicContact CD1-CG1 4.19Å; F12-I14 HydrophobicContact CE1-CD1 3.31Å; F12-I14 HydrophobicContact CE1-CG1 3.75Å; F12-I14 HydrophobicContact CE2-CG1 4.49Å; F12-I14 HydrophobicContact CZ-CD1 3.53Å; F12-I14 HydrophobicContact CZ-CG1 3.92Å; F12-I14 PolarHBondContact O-N 2.97Å; F12-I14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | Q | 30.6 | Very low | 41 | Very low | 146 Ų | 146 | 123.5 Ų | 123.5 | 68% | 0.682 | 64% | 0.644 | S | S | * | * | trans | -73 | 92.8 | 161.8 | -89.4 | 164.3 | -69.1 | 0 | 0 | 107.2 | R10 D11 P15 | R10-Q13 WeakPolarHBondContact O-CG 3.5Å; R10-Q13 PolarHBondContact O-N 2.97Å; R10-Q13 PolarHBondContact O-OE1 3.47Å; D11-Q13 PolarHBondContact O-N 3.26Å; Q13-P15 WeakPolarHBondContact O-CD 3.4Å; Q13-P15 WeakPolarHBondContact O-CG 3.31Å | ||
| 14 | I | 38.5 | Very low | 43.2 | Very low | 78 Ų | 78 | 117.3 Ų | 117.3 | 40% | 0.4 | 62% | 0.619 | S | S | . | * | trans | -68.2 | 106.3 | 157.3 | -62.3 | 170.4 | 0 | 0 | 0 | 105.4 | F12 E16 L17 | F12-I14 VanDerWaalsContact C-N 3.33Å; F12-I14 HydrophobicContact CD1-CD1 4.17Å; F12-I14 HydrophobicContact CD1-CG1 4.19Å; F12-I14 HydrophobicContact CE1-CD1 3.31Å; F12-I14 HydrophobicContact CE1-CG1 3.75Å; F12-I14 HydrophobicContact CE2-CG1 4.49Å; F12-I14 HydrophobicContact CZ-CD1 3.53Å; F12-I14 HydrophobicContact CZ-CG1 3.92Å; F12-I14 PolarHBondContact O-N 2.97Å; F12-I14 VanDerWaalsContact O-N 3.1Å; I14-E16 PolarHBondContact O-N 3.14Å; I14-L17 HydrophobicContact CB-CD1 3.89Å; I14-L17 HydrophobicContact CB-CG 4.28Å; I14-L17 HydrophobicContact CD1-CD1 3.54Å; I14-L17 HydrophobicContact CG1-CD1 4.3Å; I14-L17 HydrophobicContact CG2-CB 4.3Å; I14-L17 HydrophobicContact CG2-CD1 3.92Å; I14-L17 HydrophobicContact CG2-CG 3.83Å | ||
| 15 | P | 36.5 | Very low | 45.3 | Very low | 126 Ų | 126 | 116.3 Ų | 116.3 | 82% | 0.818 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 9.1 | -169.4 | -13.9 | 31.9 | 0 | 0 | 0 | 114.7 | Q13 | Q13-P15 WeakPolarHBondContact O-CD 3.4Å; Q13-P15 WeakPolarHBondContact O-CG 3.31Å |
| 16 | E | 41.2 | Very low | 47.7 | Very low | 144 Ų | 144 | 112.1 Ų | 112.1 | 67% | 0.673 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.7 | 17.9 | -174.7 | -67.4 | -174.8 | 160.1 | 0 | 0 | 114 | I14 | I14-E16 PolarHBondContact O-N 3.14Š|
| 17 | L | 41.3 | Very low | 50.2 | Low | 81 Ų | 81 | 107.4 Ų | 107.4 | 42% | 0.424 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93 | 2.1 | -170.7 | -102.2 | 178.9 | 0 | 0 | 0 | 117.6 | I14 | I14-L17 HydrophobicContact CB-CD1 3.89Å; I14-L17 HydrophobicContact CB-CG 4.28Å; I14-L17 HydrophobicContact CD1-CD1 3.54Å; I14-L17 HydrophobicContact CG1-CD1 4.3Å; I14-L17 HydrophobicContact CG2-CB 4.3Å; I14-L17 HydrophobicContact CG2-CD1 3.92Å; I14-L17 HydrophobicContact CG2-CG 3.83Å |
| 18 | N | 48.2 | Very low | 52.8 | Low | 142 Ų | 142 | 106.3 Ų | 106.3 | 76% | 0.759 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -12.8 | -171.2 | -82.2 | 6.4 | 0 | 0 | 0 | 117.4 | ||
| 19 | E | 48.8 | Very low | 55.9 | Low | 152 Ų | 152 | 108.3 Ų | 108.3 | 71% | 0.71 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.9 | -42.5 | 168.7 | -73.1 | -165.3 | 159.1 | 0 | 0 | 113.9 | G21 L22 R23 | E19-G21 VanDerWaalsContact C-N 3.3Å; E19-G21 PolarHBondContact O-N 3.09Å; E19-L22 PolarHBondContact O-N 3.25Å; E19-R23 PolarHBondContact O-N 2.97Å; E19-R23 VanDerWaalsContact O-N 3.07Å |
| 20 | Q | 48.5 | Very low | 58.2 | Low | 139 Ų | 139 | 101.3 Ų | 101.3 | 65% | 0.65 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.9 | -36.6 | 178.4 | -90.8 | 173.1 | -29.3 | 0 | 0 | 112.7 | R23 N24 | Q20-R23 PolarHBondContact O-N 3.3Å; Q20-N24 PolarHBondContact O-N 2.89Å |
| 21 | G | 51.2 | Low | 61.1 | Low | 15 Ų | 15 | 94.7 Ų | 94.7 | 16% | 0.155 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E19 R23 N24 N27 | E19-G21 VanDerWaalsContact C-N 3.3Å; E19-G21 PolarHBondContact O-N 3.09Å; G21-R23 VanDerWaalsContact C-N 3.33Å; G21-N24 PolarHBondContact O-N 2.95Å; G21-N27 PolarHBondContact O-ND2 3.47Å |
| 22 | L | 56 | Low | 64.3 | Low | 38 Ų | 38 | 95.3 Ų | 95.3 | 20% | 0.199 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -69.3 | -31.9 | 175.6 | -83.8 | 144.1 | 0 | 0 | 0 | 112.1 | E19 N24 F127 L131 A134 | E19-L22 PolarHBondContact O-N 3.25Å; L22-N24 PolarHBondContact O-N 3.37Å; L22-F127 HydrophobicContact CD2-CE2 4.35Å; L22-F127 HydrophobicContact CD2-CZ 4.19Å; L22-L131 HydrophobicContact CD2-CB 4.37Å; L22-L131 HydrophobicContact CD2-CD1 4Å; L22-A134 HydrophobicContact CD1-CB 3.42Å; L22-A134 VanDerWaalsContact CD1-CB 3.42Å |
| 23 | R | 58.1 | Low | 67.1 | Low | 213 Ų | 213 | 88.7 Ų | 88.7 | 80% | 0.804 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.3 | -17.6 | 175.9 | -85.6 | -178.7 | 166.9 | -115.2 | 0.9 | 114.3 | E19 Q20 G21 P25 | E19-R23 PolarHBondContact O-N 2.97Å; E19-R23 VanDerWaalsContact O-N 3.07Å; Q20-R23 PolarHBondContact O-N 3.3Å; G21-R23 VanDerWaalsContact C-N 3.33Å; R23-P25 VanDerWaalsContact O-CD 3.22Å; R23-P25 WeakPolarHBondContact O-CD 3.18Å |
| 24 | N | 74.9 | Confident | 70.3 | Confident | 61 Ų | 61 | 82.8 Ų | 82.8 | 33% | 0.326 | 42% | 0.42 | S | S | . | . | trans | -73.1 | 111.8 | 179.3 | -169.8 | -23.5 | 0 | 0 | 0 | 110 | Q20 G21 L22 I26 N27 | Q20-N24 PolarHBondContact O-N 2.89Å; G21-N24 PolarHBondContact O-N 2.95Å; L22-N24 PolarHBondContact O-N 3.37Å; N24-I26 PolarHBondContact O-N 2.99Å; N24-I26 WeakPolarHBondContact OD1-CB 3.34Å; N24-I26 WeakPolarHBondContact OD1-CG1 3.36Å; N24-I26 PolarHBondContact OD1-N 3.11Å; N24-N27 WeakPolarHBondContact O-CB 3.49Å; N24-N27 PolarHBondContact O-N 2.99Å | ||
| 25 | P | 85 | Confident | 73.2 | Confident | 93 Ų | 93 | 79.9 Ų | 79.9 | 60% | 0.604 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -58.9 | -26.1 | -174.5 | 24.7 | -35.4 | 0 | 0 | 0 | 112.6 | R23 N27 S28 V29 | R23-P25 VanDerWaalsContact O-CD 3.22Å; R23-P25 WeakPolarHBondContact O-CD 3.18Å; P25-N27 VanDerWaalsContact C-N 3.26Å; P25-N27 PolarHBondContact O-N 3.36Å; P25-S28 PolarHBondContact O-N 3.45Å; P25-V29 WeakPolarHBondContact O-CG2 3.32Å; P25-V29 PolarHBondContact O-N 2.9Å; P25-V29 VanDerWaalsContact O-N 3.12Å |
| 26 | I | 89.9 | Confident | 76.1 | Confident | 46 Ų | 46 | 76.1 Ų | 76.1 | 24% | 0.236 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.7 | -35 | 177.8 | -57.2 | 174.4 | 0 | 0 | 0 | 111.2 | N24 S28 V29 L30 L69 Q73 | N24-I26 PolarHBondContact O-N 2.99Å; N24-I26 WeakPolarHBondContact OD1-CB 3.34Å; N24-I26 WeakPolarHBondContact OD1-CG1 3.36Å; N24-I26 PolarHBondContact OD1-N 3.11Å; I26-S28 VanDerWaalsContact C-N 3.35Å; I26-V29 PolarHBondContact O-N 3.39Å; I26-L30 HydrophobicContact CG2-CD1 4.29Å; I26-L30 HydrophobicContact CG2-CG 4.39Å; I26-L30 WeakPolarHBondContact O-CB 3.35Å; I26-L30 WeakPolarHBondContact O-CG 3.22Å; I26-L30 PolarHBondContact O-N 3.42Å; I26-L69 HydrophobicContact CG2-CD1 3.67Å; I26-L69 HydrophobicContact CG2-CD2 3.78Å; I26-L69 HydrophobicContact CG2-CG 3.54Å; I26-Q73 HydrophobicContact CB-CG 4.46Å; I26-Q73 HydrophobicContact CD1-CG 4.28Å; I26-Q73 VanDerWaalsContact CG2-CD 3.45Å; I26-Q73 HydrophobicContact CG2-CG 3.67Å |
| 27 | N | 90.1 | Very high | 78.8 | Confident | 32 Ų | 32 | 69.3 Ų | 69.3 | 17% | 0.171 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68 | -36.9 | 179.4 | -71 | -26.7 | 0 | 0 | 0 | 111.8 | G21 N24 P25 L30 W31 Q73 F127 | G21-N27 PolarHBondContact O-ND2 3.47Å; N24-N27 WeakPolarHBondContact O-CB 3.49Å; N24-N27 PolarHBondContact O-N 2.99Å; P25-N27 VanDerWaalsContact C-N 3.26Å; P25-N27 PolarHBondContact O-N 3.36Å; N27-L30 PolarHBondContact O-N 3.38Å; N27-W31 WeakPolarHBondContact O-CB 3.29Å; N27-W31 PolarHBondContact O-N 3.17Å; N27-Q73 PolarHBondContact OD1-NE2 3.14Å; N27-F127 HydrophobicContact CB-CE2 3.83Å |
| 28 | S | 91 | Very high | 81.5 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 172.8 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | P25 I26 W31 F32 | P25-S28 PolarHBondContact O-N 3.45Å; I26-S28 VanDerWaalsContact C-N 3.35Å; S28-W31 PolarHBondContact O-N 3.37Å; S28-F32 PolarHBondContact O-N 2.9Å |
| 29 | V | 94.7 | Very high | 83.8 | Confident | 72 Ų | 72 | 63.9 Ų | 63.9 | 44% | 0.436 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 174.5 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | P25 I26 W31 F32 L33 L69 | P25-V29 WeakPolarHBondContact O-CG2 3.32Å; P25-V29 PolarHBondContact O-N 2.9Å; P25-V29 VanDerWaalsContact O-N 3.12Å; I26-V29 PolarHBondContact O-N 3.39Å; V29-W31 VanDerWaalsContact C-N 3.32Å; V29-W31 PolarHBondContact O-N 2.99Å; V29-F32 PolarHBondContact O-N 3.32Å; V29-L33 HydrophobicContact CG1-CD1 4.01Å; V29-L33 HydrophobicContact CG1-CG 4.33Å; V29-L33 WeakPolarHBondContact O-CG 3.36Å; V29-L33 PolarHBondContact O-N 2.89Å; V29-L69 HydrophobicContact CB-CD2 4.14Å; V29-L69 HydrophobicContact CG1-CD2 3.66Å |
| 30 | L | 96.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -40 | 175.6 | -74.8 | 173.3 | 0 | 0 | 0 | 112.2 | I26 N27 R34 T66 L69 R70 | I26-L30 HydrophobicContact CG2-CD1 4.29Å; I26-L30 HydrophobicContact CG2-CG 4.39Å; I26-L30 WeakPolarHBondContact O-CB 3.35Å; I26-L30 WeakPolarHBondContact O-CG 3.22Å; I26-L30 PolarHBondContact O-N 3.42Å; N27-L30 PolarHBondContact O-N 3.38Å; L30-R34 WeakPolarHBondContact O-CB 3.32Å; L30-R34 VanDerWaalsContact O-CG 3.23Å; L30-R34 WeakPolarHBondContact O-CG 3.38Å; L30-R34 PolarHBondContact O-N 3.19Å; L30-T66 HydrophobicContact CD2-CG2 3.8Å; L30-T66 VanDerWaalsContact CD2-O 3.26Å; L30-T66 WeakPolarHBondContact CD2-O 3.31Å; L30-L69 HydrophobicContact CD2-CB 3.9Å; L30-L69 HydrophobicContact CD2-CD2 3.87Å; L30-L69 HydrophobicContact CD2-CG 3.98Å; L30-L69 HydrophobicContact CG-CD2 3.95Å; L30-L69 HydrophobicContact CG-CG 4.24Å; L30-R70 HydrophobicContact CD2-CB 4.38Å |
| 31 | W | 94.8 | Very high | 88.3 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 24% | 0.242 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 175.2 | 178.5 | 73.5 | 0 | 0 | 0 | 111.3 | N27 S28 V29 R34 G35 W124 F127 | N27-W31 WeakPolarHBondContact O-CB 3.29Å; N27-W31 PolarHBondContact O-N 3.17Å; S28-W31 PolarHBondContact O-N 3.37Å; V29-W31 VanDerWaalsContact C-N 3.32Å; V29-W31 PolarHBondContact O-N 2.99Å; W31-R34 PolarHBondContact O-N 3.41Å; W31-G35 PolarHBondContact O-N 3.34Å; W31-W124 AromaticContact CD1-CD1 3.54Å; W31-W124 AromaticContact CD1-CG 3.92Å; W31-W124 AromaticContact CD1-NE1 3.82Å; W31-W124 AromaticContact CD2-NE1 3.98Å; W31-W124 AromaticContact CE2-CD1 3.88Å; W31-W124 AromaticContact CE2-CE2 3.63Å; W31-W124 AromaticContact CE2-CZ2 3.99Å; W31-W124 AromaticContact CE2-NE1 3.3Å; W31-W124 VanDerWaalsContact CE2-NE1 3.3Å; W31-W124 HydrophobicContact CH2-CZ2 4.36Å; W31-W124 AromaticContact CZ2-CE2 3.6Å; W31-W124 HydrophobicContact CZ2-CH2 4.39Å; W31-W124 AromaticContact CZ2-CZ2 3.46Å; W31-W124 HydrophobicContact CZ2-CZ2 3.46Å; W31-W124 VanDerWaalsContact CZ2-CZ2 3.46Å; W31-W124 AromaticContact CZ2-NE1 3.56Å; W31-W124 AromaticContact NE1-CD1 3.37Å; W31-W124 AromaticContact NE1-CD2 3.69Å; W31-W124 AromaticContact NE1-CE2 3.43Å; W31-W124 AromaticContact NE1-CG 3.66Å; W31-W124 AromaticContact NE1-NE1 3.22Å; W31-W124 PolarHBondContact NE1-O 3.46Å; W31-F127 HydrophobicContact CB-CD1 3.61Å; W31-F127 HydrophobicContact CB-CE1 3.85Å; W31-F127 HydrophobicContact CB-CG 3.98Å; W31-F127 HydrophobicContact CB-CZ 4.43Å; W31-F127 AromaticContact CD1-CD1 3.26Å; W31-F127 AromaticContact CD1-CG 3.72Å; W31-F127 AromaticContact CD2-CD1 3.93Å; W31-F127 HydrophobicContact CD2-CD1 3.93Å; W31-F127 HydrophobicContact CD2-CE1 4.15Å; W31-F127 HydrophobicContact CG-CB 4.32Å; W31-F127 AromaticContact CG-CD1 3.28Å; W31-F127 HydrophobicContact CG-CD1 3.28Å; W31-F127 AromaticContact CG-CE1 3.76Å; W31-F127 HydrophobicContact CG-CE1 3.76Å; W31-F127 AromaticContact CG-CG 3.96Å; W31-F127 HydrophobicContact CG-CG 3.96Å; W31-F127 AromaticContact NE1-CD1 3.76Å |
| 32 | F | 96.4 | Very high | 90.4 | Very high | 132 Ų | 132 | 54 Ų | 54 | 58% | 0.579 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.1 | -48.7 | 176.2 | 180 | -100.4 | 0 | 0 | 0 | 112.6 | S28 V29 R34 G35 V36 | S28-F32 PolarHBondContact O-N 2.9Å; V29-F32 PolarHBondContact O-N 3.32Å; F32-R34 VanDerWaalsContact C-N 3.27Å; F32-R34 PolarHBondContact O-N 2.91Å; F32-G35 WeakPolarHBondContact O-CA 3.44Å; F32-G35 PolarHBondContact O-N 3.44Å; F32-V36 HydrophobicContact CD1-CG2 4.28Å; F32-V36 HydrophobicContact CE1-CG2 3.84Å; F32-V36 HydrophobicContact CZ-CG2 4.02Å; F32-V36 PolarHBondContact O-N 3.14Å |
| 33 | L | 97.9 | Very high | 92.2 | Very high | 34 Ų | 34 | 54.8 Ų | 54.8 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -35.1 | 178.5 | -72.9 | 172.5 | 0 | 0 | 0 | 112.6 | V29 V36 T37 A65 T66 L69 | V29-L33 HydrophobicContact CG1-CD1 4.01Å; V29-L33 HydrophobicContact CG1-CG 4.33Å; V29-L33 WeakPolarHBondContact O-CG 3.36Å; V29-L33 PolarHBondContact O-N 2.89Å; L33-V36 PolarHBondContact O-N 2.78Å; L33-T37 PolarHBondContact O-N 2.87Å; L33-T37 PolarHBondContact O-OG1 3.22Å; L33-A65 HydrophobicContact CD1-CB 4.06Å; L33-A65 HydrophobicContact CD2-CB 4.31Å; L33-T66 VanDerWaalsContact CB-OG1 3.29Å; L33-T66 WeakPolarHBondContact CB-OG1 3.18Å; L33-L69 HydrophobicContact CD1-CD2 4.36Å |
| 34 | R | 98.2 | Very high | 93.9 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 8% | 0.079 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67 | -40.4 | 172.2 | -72.8 | 174.1 | -178.1 | 126.4 | 0.8 | 111.7 | L30 W31 F32 V36 T37 I38 T66 A120 H123 W124 | L30-R34 WeakPolarHBondContact O-CB 3.32Å; L30-R34 VanDerWaalsContact O-CG 3.23Å; L30-R34 WeakPolarHBondContact O-CG 3.38Å; L30-R34 PolarHBondContact O-N 3.19Å; W31-R34 PolarHBondContact O-N 3.41Å; F32-R34 VanDerWaalsContact C-N 3.27Å; F32-R34 PolarHBondContact O-N 2.91Å; R34-V36 VanDerWaalsContact C-N 3.34Å; R34-V36 PolarHBondContact O-N 2.97Å; R34-T37 WeakPolarHBondContact O-CB 3.49Å; R34-T37 PolarHBondContact O-N 3.38Å; R34-T37 VanDerWaalsContact O-N 3.17Å; R34-I38 WeakPolarHBondContact O-CD1 3.43Å; R34-I38 VanDerWaalsContact O-CG1 3.25Å; R34-I38 WeakPolarHBondContact O-CG1 3.33Å; R34-I38 PolarHBondContact O-N 2.89Å; R34-T66 HydrophobicContact CG-CG2 3.89Å; R34-A120 HydrophobicContact CB-CB 4.11Å; R34-A120 HydrophobicContact CG-CB 4.22Å; R34-H123 VanDerWaalsContact NE-CB 3.3Å; R34-W124 HydrophobicContact CB-CB 4.29Å |
| 35 | G | 97.9 | Very high | 94.8 | Very high | 17 Ų | 17 | 46 Ų | 46 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.9 | -48.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W31 F32 T37 I38 V39 | W31-G35 PolarHBondContact O-N 3.34Å; F32-G35 WeakPolarHBondContact O-CA 3.44Å; F32-G35 PolarHBondContact O-N 3.44Å; G35-T37 VanDerWaalsContact C-N 3.33Å; G35-T37 PolarHBondContact O-N 3.44Å; G35-I38 PolarHBondContact O-N 3.41Å; G35-V39 WeakPolarHBondContact O-CG2 3.34Å; G35-V39 PolarHBondContact O-N 3.48Å |
| 36 | V | 97.8 | Very high | 95.1 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 29% | 0.291 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 174.5 | 177 | 0 | 0 | 0 | 0 | 111.4 | F32 L33 R34 I38 V39 C40 | F32-V36 HydrophobicContact CD1-CG2 4.28Å; F32-V36 HydrophobicContact CE1-CG2 3.84Å; F32-V36 HydrophobicContact CZ-CG2 4.02Å; F32-V36 PolarHBondContact O-N 3.14Å; L33-V36 PolarHBondContact O-N 2.78Å; R34-V36 VanDerWaalsContact C-N 3.34Å; R34-V36 PolarHBondContact O-N 2.97Å; V36-I38 VanDerWaalsContact C-N 3.32Å; V36-I38 PolarHBondContact O-N 3.43Å; V36-V39 PolarHBondContact O-N 3.27Å; V36-C40 WeakPolarHBondContact O-CB 3.33Å; V36-C40 PolarHBondContact O-N 2.89Å; V36-C40 PolarHBondContact O-SG 2.92Å |
| 37 | T | 98.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 177.2 | -54 | 0 | 0 | 0 | 0 | 111.6 | L33 R34 G35 G41 T59 S62 A63 A120 | L33-T37 PolarHBondContact O-N 2.87Å; L33-T37 PolarHBondContact O-OG1 3.22Å; R34-T37 WeakPolarHBondContact O-CB 3.49Å; R34-T37 PolarHBondContact O-N 3.38Å; R34-T37 VanDerWaalsContact O-N 3.17Å; G35-T37 VanDerWaalsContact C-N 3.33Å; G35-T37 PolarHBondContact O-N 3.44Å; T37-G41 PolarHBondContact O-N 3.46Å; T37-T59 HydrophobicContact CG2-CG2 3.87Å; T37-S62 VanDerWaalsContact CA-OG 3.24Å; T37-S62 WeakPolarHBondContact CA-OG 3.36Å; T37-S62 WeakPolarHBondContact CB-OG 3.38Å; T37-S62 PolarHBondContact N-OG 2.89Å; T37-S62 WeakPolarHBondContact OG1-CB 3.41Å; T37-S62 PolarHBondContact OG1-OG 3.49Å; T37-A63 HydrophobicContact CG2-CB 4.04Å; T37-A63 PolarHBondContact OG1-N 3.33Å; T37-A120 HydrophobicContact CG2-CB 3.91Å |
| 38 | I | 97.9 | Very high | 94.5 | Very high | 23 Ų | 23 | 54.6 Ų | 54.6 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.6 | -50.7 | 178.6 | -64.5 | 158 | 0 | 0 | 0 | 110.2 | R34 G35 V36 G41 L42 A120 L121 W124 | R34-I38 WeakPolarHBondContact O-CD1 3.43Å; R34-I38 VanDerWaalsContact O-CG1 3.25Å; R34-I38 WeakPolarHBondContact O-CG1 3.33Å; R34-I38 PolarHBondContact O-N 2.89Å; G35-I38 PolarHBondContact O-N 3.41Å; V36-I38 VanDerWaalsContact C-N 3.32Å; V36-I38 PolarHBondContact O-N 3.43Å; I38-G41 PolarHBondContact O-N 2.77Å; I38-L42 HydrophobicContact CG2-CD1 4.01Å; I38-L42 HydrophobicContact CG2-CG 4.44Å; I38-L42 WeakPolarHBondContact O-CB 3.29Å; I38-L42 WeakPolarHBondContact O-CG 3.44Å; I38-L42 PolarHBondContact O-N 3.46Å; I38-A120 HydrophobicContact CD1-CB 4.36Å; I38-A120 HydrophobicContact CG1-CB 3.85Å; I38-L121 HydrophobicContact CD1-CB 4.35Å; I38-L121 HydrophobicContact CD1-CD1 4.22Å; I38-L121 HydrophobicContact CG1-CB 4.47Å; I38-W124 HydrophobicContact CD1-CB 3.73Å; I38-W124 HydrophobicContact CD1-CD2 4.48Å; I38-W124 HydrophobicContact CD1-CG 3.87Å |
| 39 | V | 96.4 | Very high | 93.8 | Very high | 85 Ų | 85 | 55.8 Ų | 55.8 | 52% | 0.515 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | -177.7 | 173.8 | 0 | 0 | 0 | 0 | 111 | G35 V36 G41 L42 M43 | G35-V39 WeakPolarHBondContact O-CG2 3.34Å; G35-V39 PolarHBondContact O-N 3.48Å; V36-V39 PolarHBondContact O-N 3.27Å; V39-G41 VanDerWaalsContact C-N 3.34Å; V39-G41 PolarHBondContact O-N 2.9Å; V39-L42 PolarHBondContact O-N 3.36Å; V39-M43 HydrophobicContact CG1-CE 4.05Å; V39-M43 HydrophobicContact CG1-SD 4.41Å; V39-M43 VanDerWaalsContact O-CG 3.32Å; V39-M43 WeakPolarHBondContact O-CG 3.32Å; V39-M43 PolarHBondContact O-N 2.9Å |
| 40 | C | 96.3 | Very high | 93.2 | Very high | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 176 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | V36 M43 F44 K58 T59 | V36-C40 WeakPolarHBondContact O-CB 3.33Å; V36-C40 PolarHBondContact O-N 2.89Å; V36-C40 PolarHBondContact O-SG 2.92Å; C40-M43 HydrophobicContact CB-CE 4.24Å; C40-M43 PolarHBondContact O-N 3.36Å; C40-F44 PolarHBondContact O-N 2.96Å; C40-K58 HydrophobicContact CB-CB 4.12Å; C40-T59 WeakPolarHBondContact CB-OG1 3.26Å; C40-T59 PolarHBondContact O-OG1 3.37Å |
| 41 | G | 96.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | T37 I38 V39 F44 V45 T59 | T37-G41 PolarHBondContact O-N 3.46Å; I38-G41 PolarHBondContact O-N 2.77Å; V39-G41 VanDerWaalsContact C-N 3.34Å; V39-G41 PolarHBondContact O-N 2.9Å; G41-F44 WeakPolarHBondContact O-CB 3.38Å; G41-F44 PolarHBondContact O-N 2.89Å; G41-V45 PolarHBondContact O-N 2.89Å; G41-T59 WeakPolarHBondContact CA-OG1 3.48Å; G41-T59 PolarHBondContact N-OG1 3.18Å |
| 42 | L | 94.7 | Very high | 92.7 | Very high | 87 Ų | 87 | 64.2 Ų | 64.2 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 174.8 | -70.1 | 175.4 | 0 | 0 | 0 | 111.9 | I38 V39 F44 V45 F46 | I38-L42 HydrophobicContact CG2-CD1 4.01Å; I38-L42 HydrophobicContact CG2-CG 4.44Å; I38-L42 WeakPolarHBondContact O-CB 3.29Å; I38-L42 WeakPolarHBondContact O-CG 3.44Å; I38-L42 PolarHBondContact O-N 3.46Å; V39-L42 PolarHBondContact O-N 3.36Å; L42-F44 PolarHBondContact O-N 3.47Å; L42-V45 PolarHBondContact O-N 3.4Å; L42-V45 VanDerWaalsContact O-N 3.17Å; L42-F46 PolarHBondContact O-N 2.86Å |
| 43 | M | 93.6 | Very high | 92.5 | Very high | 55 Ų | 55 | 63.8 Ų | 63.8 | 27% | 0.271 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64 | -26.5 | 175.1 | -70.7 | -173.4 | -59.2 | 0 | 0 | 113.1 | V39 C40 F46 P47 L50 A55 | V39-M43 HydrophobicContact CG1-CE 4.05Å; V39-M43 HydrophobicContact CG1-SD 4.41Å; V39-M43 VanDerWaalsContact O-CG 3.32Å; V39-M43 WeakPolarHBondContact O-CG 3.32Å; V39-M43 PolarHBondContact O-N 2.9Å; C40-M43 HydrophobicContact CB-CE 4.24Å; C40-M43 PolarHBondContact O-N 3.36Å; M43-F46 CarbonylContact O-C 3.5Å; M43-P47 WeakPolarHBondContact O-CA 3.36Å; M43-L50 HydrophobicContact CG-CD1 4.18Å; M43-L50 HydrophobicContact SD-CD1 3.29Å; M43-L50 WeakPolarHBondContact SD-CD1 3.38Å; M43-A55 HydrophobicContact CB-CB 4.16Å |
| 44 | F | 94.4 | Very high | 92.3 | Very high | 19 Ų | 19 | 64 Ų | 64 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70 | -43.2 | 172.3 | 175.3 | -99.5 | 0 | 0 | 0 | 112.1 | C40 G41 L42 K52 A55 Y56 P108 L113 | C40-F44 PolarHBondContact O-N 2.96Å; G41-F44 WeakPolarHBondContact O-CB 3.38Å; G41-F44 PolarHBondContact O-N 2.89Å; L42-F44 PolarHBondContact O-N 3.47Å; F44-K52 HydrophobicContact CD2-CB 4.23Å; F44-K52 WeakPolarHBondContact CD2-O 3.35Å; F44-K52 HydrophobicContact CE2-CB 4.4Å; F44-A55 HydrophobicContact CB-CB 4.09Å; F44-Y56 HydrophobicContact CD2-CD2 4.28Å; F44-Y56 HydrophobicContact CD2-CG 4.47Å; F44-Y56 AromaticContact CE2-CD2 3.94Å; F44-Y56 HydrophobicContact CE2-CD2 3.94Å; F44-Y56 HydrophobicContact CE2-CG 4.26Å; F44-Y56 HydrophobicContact CZ-CD2 4.06Å; F44-P108 HydrophobicContact CE2-CB 3.82Å; F44-P108 HydrophobicContact CZ-CB 3.99Å; F44-L113 HydrophobicContact CB-CD1 3.89Å; F44-L113 HydrophobicContact CD1-CD1 3.45Å; F44-L113 VanDerWaalsContact CD1-CD1 3.45Å; F44-L113 HydrophobicContact CD1-CG 4.45Å; F44-L113 HydrophobicContact CD2-CD1 4.43Å; F44-L113 HydrophobicContact CE1-CD1 4.05Å; F44-L113 HydrophobicContact CG-CD1 3.65Å |
| 45 | V | 93.1 | Very high | 92.2 | Very high | 71 Ų | 71 | 63.3 Ų | 63.3 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -73.4 | -43.2 | -179.8 | 178 | 0 | 0 | 0 | 0 | 111.3 | G41 L42 P47 T110 | G41-V45 PolarHBondContact O-N 2.89Å; L42-V45 PolarHBondContact O-N 3.4Å; L42-V45 VanDerWaalsContact O-N 3.17Å; V45-P47 WeakPolarHBondContact O-CD 3.45Å; V45-T110 HydrophobicContact CG2-CG2 4.13Å |
| 46 | F | 91.6 | Very high | 92.1 | Very high | 137 Ų | 137 | 62.6 Ų | 62.6 | 60% | 0.601 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -113.4 | 82.2 | -179.8 | -58.1 | -74.2 | 0 | 0 | 0 | 109.7 | L42 M43 L48 | L42-F46 PolarHBondContact O-N 2.86Å; M43-F46 CarbonylContact O-C 3.5Å; F46-L48 PolarHBondContact O-N 3.23Å |
| 47 | P | 81.9 | Confident | 92 | Very high | 55 Ų | 55 | 63.4 Ų | 63.4 | 36% | 0.357 | 35% | 0.346 | S | S | . | . | trans | -72 | 87.8 | -177.4 | 34.5 | -42 | 0 | 0 | 0 | 110.7 | M43 V45 G49 K52 | M43-P47 WeakPolarHBondContact O-CA 3.36Å; V45-P47 WeakPolarHBondContact O-CD 3.45Å; P47-G49 PolarHBondContact O-N 2.98Å; P47-K52 HydrophobicContact CB-CD 4.34Å; P47-K52 VanDerWaalsContact CB-CE 3.44Å; P47-K52 HydrophobicContact CB-CG 3.88Å | ||
| 48 | L | 84.2 | Confident | 92 | Very high | 158 Ų | 158 | 69 Ų | 69 | 83% | 0.827 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -72.3 | 50.5 | 174.7 | -63.3 | 173.1 | 0 | 0 | 0 | 112 | F46 L50 | F46-L48 PolarHBondContact O-N 3.23Å; L48-L50 VanDerWaalsContact C-N 3.3Å; L48-L50 PolarHBondContact O-N 3.44Å |
| 49 | G | 77.9 | Confident | 92 | Very high | 81 Ų | 81 | 67.9 Ų | 67.9 | 84% | 0.835 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 81.5 | -0.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P47 | P47-G49 PolarHBondContact O-N 2.98Š|
| 50 | L | 81 | Confident | 92 | Very high | 96 Ų | 96 | 63.9 Ų | 63.9 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -86.7 | 153.9 | 179.5 | -63.6 | 175.6 | 0 | 0 | 0 | 112.8 | M43 L48 K52 | M43-L50 HydrophobicContact CG-CD1 4.18Å; M43-L50 HydrophobicContact SD-CD1 3.29Å; M43-L50 WeakPolarHBondContact SD-CD1 3.38Å; L48-L50 VanDerWaalsContact C-N 3.3Å; L48-L50 PolarHBondContact O-N 3.44Å; L50-K52 PolarHBondContact O-N 3.2Å; L50-K52 VanDerWaalsContact O-N 3.07Å |
| 51 | N | 89.7 | Confident | 92.1 | Very high | 107 Ų | 107 | 68.2 Ų | 68.2 | 57% | 0.572 | 36% | 0.362 | S | S | * | . | trans | -65.7 | 108.7 | 176.8 | -176 | -19.4 | 0 | 0 | 0 | 110.9 | Y53 S54 A55 | N51-Y53 VanDerWaalsContact C-N 3.27Å; N51-Y53 PolarHBondContact O-N 3.32Å; N51-Y53 VanDerWaalsContact OD1-CB 3.31Å; N51-Y53 WeakPolarHBondContact OD1-CB 3.37Å; N51-Y53 PolarHBondContact OD1-N 3.21Å; N51-S54 WeakPolarHBondContact O-CB 3.3Å; N51-S54 PolarHBondContact O-N 2.85Å; N51-S54 VanDerWaalsContact O-N 3.13Å; N51-S54 PolarHBondContact OD1-N 2.88Å; N51-A55 PolarHBondContact O-N 3.41Å | ||
| 52 | K | 91.3 | Very high | 92.2 | Very high | 109 Ų | 109 | 68.5 Ų | 68.5 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -53.4 | -42 | 177.4 | -71 | -173.9 | 176.5 | -176.2 | 0 | 112.9 | F44 P47 L50 S54 A55 Y56 | F44-K52 HydrophobicContact CD2-CB 4.23Å; F44-K52 WeakPolarHBondContact CD2-O 3.35Å; F44-K52 HydrophobicContact CE2-CB 4.4Å; P47-K52 HydrophobicContact CB-CD 4.34Å; P47-K52 VanDerWaalsContact CB-CE 3.44Å; P47-K52 HydrophobicContact CB-CG 3.88Å; L50-K52 PolarHBondContact O-N 3.2Å; L50-K52 VanDerWaalsContact O-N 3.07Å; K52-S54 VanDerWaalsContact C-N 3.33Å; K52-S54 PolarHBondContact O-N 3.47Å; K52-A55 PolarHBondContact O-N 3.49Å; K52-Y56 WeakPolarHBondContact O-CB 3.44Å; K52-Y56 PolarHBondContact O-N 2.99Å |
| 53 | Y | 92.1 | Very high | 92.3 | Very high | 124 Ų | 124 | 64.6 Ų | 64.6 | 49% | 0.486 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | -178.9 | -175.2 | -99.2 | 0 | 0 | 0 | 111.1 | N51 Y56 Q57 P108 | N51-Y53 VanDerWaalsContact C-N 3.27Å; N51-Y53 PolarHBondContact O-N 3.32Å; N51-Y53 VanDerWaalsContact OD1-CB 3.31Å; N51-Y53 WeakPolarHBondContact OD1-CB 3.37Å; N51-Y53 PolarHBondContact OD1-N 3.21Å; Y53-Y56 PolarHBondContact O-N 3.04Å; Y53-Q57 HydrophobicContact CD1-CG 4.34Å; Y53-Q57 HydrophobicContact CE1-CG 3.99Å; Y53-Q57 VanDerWaalsContact CE1-OE1 3.29Å; Y53-Q57 WeakPolarHBondContact O-CG 3.2Å; Y53-Q57 PolarHBondContact O-N 3.36Å; Y53-Q57 PolarHBondContact OH-NE2 2.91Å; Y53-Q57 VanDerWaalsContact OH-NE2 3.16Å; Y53-P108 HydrophobicContact CD2-CG 3.76Å; Y53-P108 HydrophobicContact CE2-CG 4.16Å |
| 54 | S | 93.7 | Very high | 92.6 | Very high | 38 Ų | 38 | 62.5 Ų | 62.5 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.9 | -170.1 | 0 | 0 | 0 | 0 | 111.9 | N51 K52 Y56 Q57 K58 | N51-S54 WeakPolarHBondContact O-CB 3.3Å; N51-S54 PolarHBondContact O-N 2.85Å; N51-S54 VanDerWaalsContact O-N 3.13Å; N51-S54 PolarHBondContact OD1-N 2.88Å; K52-S54 VanDerWaalsContact C-N 3.33Å; K52-S54 PolarHBondContact O-N 3.47Å; S54-Y56 PolarHBondContact O-N 3.33Å; S54-Q57 PolarHBondContact O-N 2.88Å; S54-K58 WeakPolarHBondContact O-CB 3.34Å; S54-K58 VanDerWaalsContact O-CG 3.24Å; S54-K58 WeakPolarHBondContact O-CG 3.49Å; S54-K58 PolarHBondContact O-N 3.26Å; S54-K58 WeakPolarHBondContact OG-CE 3.15Å |
| 55 | A | 95.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 63.6 Ų | 63.6 | 5% | 0.05 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | M43 F44 N51 K52 K58 T59 | M43-A55 HydrophobicContact CB-CB 4.16Å; F44-A55 HydrophobicContact CB-CB 4.09Å; N51-A55 PolarHBondContact O-N 3.41Å; K52-A55 PolarHBondContact O-N 3.49Å; A55-K58 PolarHBondContact O-N 3.11Å; A55-T59 WeakPolarHBondContact O-CB 3.32Å; A55-T59 PolarHBondContact O-N 3.42Å; A55-T59 PolarHBondContact O-OG1 3.41Å |
| 56 | Y | 96.1 | Very high | 93 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.4 | -52.6 | 175 | -179 | -97.7 | 0 | 0 | 0 | 111.8 | F44 K52 Y53 S54 K58 T59 L60 L103 P108 L113 | F44-Y56 HydrophobicContact CD2-CD2 4.28Å; F44-Y56 HydrophobicContact CD2-CG 4.47Å; F44-Y56 AromaticContact CE2-CD2 3.94Å; F44-Y56 HydrophobicContact CE2-CD2 3.94Å; F44-Y56 HydrophobicContact CE2-CG 4.26Å; F44-Y56 HydrophobicContact CZ-CD2 4.06Å; K52-Y56 WeakPolarHBondContact O-CB 3.44Å; K52-Y56 PolarHBondContact O-N 2.99Å; Y53-Y56 PolarHBondContact O-N 3.04Å; S54-Y56 PolarHBondContact O-N 3.33Å; Y56-K58 PolarHBondContact O-N 3.04Å; Y56-T59 WeakPolarHBondContact O-CB 3.27Å; Y56-T59 PolarHBondContact O-N 3.02Å; Y56-L60 HydrophobicContact CD1-CD1 3.95Å; Y56-L60 HydrophobicContact CE1-CD1 3.31Å; Y56-L60 HydrophobicContact CE1-CG 4.37Å; Y56-L60 HydrophobicContact CE2-CD1 4.19Å; Y56-L60 VanDerWaalsContact CZ-CD1 3.44Å; Y56-L60 PolarHBondContact O-N 3.34Å; Y56-L103 WeakPolarHBondContact CE1-O 3.21Å; Y56-L103 PolarHBondContact OH-O 2.83Å; Y56-P108 HydrophobicContact CD1-CB 3.96Å; Y56-P108 HydrophobicContact CD1-CG 3.94Å; Y56-P108 HydrophobicContact CD2-CB 3.73Å; Y56-P108 HydrophobicContact CE1-CB 4.21Å; Y56-P108 HydrophobicContact CE1-CG 4.29Å; Y56-P108 HydrophobicContact CE2-CB 4.05Å; Y56-P108 HydrophobicContact CG-CB 3.71Å; Y56-P108 HydrophobicContact CG-CG 4.1Å; Y56-L113 HydrophobicContact CD2-CD1 3.72Å; Y56-L113 HydrophobicContact CD2-CD2 3.68Å; Y56-L113 HydrophobicContact CD2-CG 3.67Å; Y56-L113 HydrophobicContact CE2-CD1 4.3Å; Y56-L113 HydrophobicContact CE2-CD2 3.6Å; Y56-L113 HydrophobicContact CE2-CG 3.73Å |
| 57 | Q | 96.4 | Very high | 93.2 | Very high | 65 Ų | 65 | 55.3 Ų | 55.3 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 179.3 | -71.8 | -174.9 | -45.1 | 0 | 0 | 111.8 | Y53 S54 T59 L60 L61 L104 | Y53-Q57 HydrophobicContact CD1-CG 4.34Å; Y53-Q57 HydrophobicContact CE1-CG 3.99Å; Y53-Q57 VanDerWaalsContact CE1-OE1 3.29Å; Y53-Q57 WeakPolarHBondContact O-CG 3.2Å; Y53-Q57 PolarHBondContact O-N 3.36Å; Y53-Q57 PolarHBondContact OH-NE2 2.91Å; Y53-Q57 VanDerWaalsContact OH-NE2 3.16Å; S54-Q57 PolarHBondContact O-N 2.88Å; Q57-T59 VanDerWaalsContact C-N 3.31Å; Q57-T59 PolarHBondContact O-N 3.06Å; Q57-L60 PolarHBondContact O-N 3.38Å; Q57-L61 WeakPolarHBondContact O-CB 3.36Å; Q57-L61 VanDerWaalsContact O-CG 3.24Å; Q57-L61 WeakPolarHBondContact O-CG 3.44Å; Q57-L61 PolarHBondContact O-N 3.4Å; Q57-L104 HydrophobicContact CB-CD2 4.45Å; Q57-L104 HydrophobicContact CG-CD2 4.35Å |
| 58 | K | 97 | Very high | 93.9 | Very high | 118 Ų | 118 | 54.7 Ų | 54.7 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 178.2 | -73.4 | 176.3 | -179.8 | -175.1 | 0 | 111.9 | C40 S54 A55 Y56 L61 S62 | C40-K58 HydrophobicContact CB-CB 4.12Å; S54-K58 WeakPolarHBondContact O-CB 3.34Å; S54-K58 VanDerWaalsContact O-CG 3.24Å; S54-K58 WeakPolarHBondContact O-CG 3.49Å; S54-K58 PolarHBondContact O-N 3.26Å; S54-K58 WeakPolarHBondContact OG-CE 3.15Å; A55-K58 PolarHBondContact O-N 3.11Å; Y56-K58 PolarHBondContact O-N 3.04Å; K58-L61 PolarHBondContact O-N 3.3Å; K58-S62 WeakPolarHBondContact O-CB 3.01Å; K58-S62 PolarHBondContact O-N 3.15Å; K58-S62 PolarHBondContact O-OG 3.44Å |
| 59 | T | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -47 | 175.7 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | T37 C40 G41 A55 Y56 Q57 S62 A63 L113 V116 V117 | T37-T59 HydrophobicContact CG2-CG2 3.87Å; C40-T59 WeakPolarHBondContact CB-OG1 3.26Å; C40-T59 PolarHBondContact O-OG1 3.37Å; G41-T59 WeakPolarHBondContact CA-OG1 3.48Å; G41-T59 PolarHBondContact N-OG1 3.18Å; A55-T59 WeakPolarHBondContact O-CB 3.32Å; A55-T59 PolarHBondContact O-N 3.42Å; A55-T59 PolarHBondContact O-OG1 3.41Å; Y56-T59 WeakPolarHBondContact O-CB 3.27Å; Y56-T59 PolarHBondContact O-N 3.02Å; Q57-T59 VanDerWaalsContact C-N 3.31Å; Q57-T59 PolarHBondContact O-N 3.06Å; T59-S62 PolarHBondContact O-OG 3.03Å; T59-A63 VanDerWaalsContact O-CB 3.27Å; T59-A63 WeakPolarHBondContact O-CB 3.33Å; T59-A63 PolarHBondContact O-N 2.98Å; T59-L113 HydrophobicContact CG2-CD1 4.21Å; T59-L113 HydrophobicContact CG2-CD2 3.89Å; T59-V116 HydrophobicContact CG2-CG2 4.27Å; T59-V117 HydrophobicContact CG2-CG2 4.27Å |
| 60 | L | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.2 | -37.5 | -179.9 | -69.6 | 179.6 | 0 | 0 | 0 | 112.6 | Y56 Q57 A63 A64 L103 L104 L113 V116 | Y56-L60 HydrophobicContact CD1-CD1 3.95Å; Y56-L60 HydrophobicContact CE1-CD1 3.31Å; Y56-L60 HydrophobicContact CE1-CG 4.37Å; Y56-L60 HydrophobicContact CE2-CD1 4.19Å; Y56-L60 VanDerWaalsContact CZ-CD1 3.44Å; Y56-L60 PolarHBondContact O-N 3.34Å; Q57-L60 PolarHBondContact O-N 3.38Å; L60-A63 PolarHBondContact O-N 3.3Å; L60-A64 VanDerWaalsContact O-CB 3.22Å; L60-A64 WeakPolarHBondContact O-CB 3.42Å; L60-A64 PolarHBondContact O-N 3.32Å; L60-L103 HydrophobicContact CD1-CB 3.57Å; L60-L103 HydrophobicContact CD2-CB 3.95Å; L60-L103 HydrophobicContact CD2-CD1 3.95Å; L60-L103 HydrophobicContact CG-CB 4.44Å; L60-L104 HydrophobicContact CB-CD1 4.47Å; L60-L104 HydrophobicContact CB-CD2 3.82Å; L60-L104 HydrophobicContact CB-CG 3.93Å; L60-L104 HydrophobicContact CD1-CD2 3.91Å; L60-L104 HydrophobicContact CD1-CG 3.89Å; L60-L113 HydrophobicContact CD2-CD2 3.67Å; L60-L113 HydrophobicContact CG-CD2 3.84Å; L60-V116 HydrophobicContact CD2-CG2 4.5Å |
| 61 | L | 98 | Very high | 95.7 | Very high | 101 Ų | 101 | 45 Ų | 45 | 53% | 0.529 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.2 | -41.9 | 177.3 | -72.1 | 171.6 | 0 | 0 | 0 | 111.5 | Q57 K58 A64 A65 L104 | Q57-L61 WeakPolarHBondContact O-CB 3.36Å; Q57-L61 VanDerWaalsContact O-CG 3.24Å; Q57-L61 WeakPolarHBondContact O-CG 3.44Å; Q57-L61 PolarHBondContact O-N 3.4Å; K58-L61 PolarHBondContact O-N 3.3Å; L61-A64 PolarHBondContact O-N 3.3Å; L61-A65 WeakPolarHBondContact O-CB 3.5Å; L61-A65 PolarHBondContact O-N 3.46Å; L61-L104 HydrophobicContact CD2-CD1 3.92Å; L61-L104 HydrophobicContact CG-CD1 4.48Å; L61-L104 HydrophobicContact CG-CD2 4.49Å |
| 62 | S | 98 | Very high | 95.7 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -37.2 | 175.3 | 63.1 | 0 | 0 | 0 | 0 | 112 | T37 K58 T59 T66 | T37-S62 VanDerWaalsContact CA-OG 3.24Å; T37-S62 WeakPolarHBondContact CA-OG 3.36Å; T37-S62 WeakPolarHBondContact CB-OG 3.38Å; T37-S62 PolarHBondContact N-OG 2.89Å; T37-S62 WeakPolarHBondContact OG1-CB 3.41Å; T37-S62 PolarHBondContact OG1-OG 3.49Å; K58-S62 WeakPolarHBondContact O-CB 3.01Å; K58-S62 PolarHBondContact O-N 3.15Å; K58-S62 PolarHBondContact O-OG 3.44Å; T59-S62 PolarHBondContact O-OG 3.03Å; S62-T66 WeakPolarHBondContact O-CB 3.39Å; S62-T66 PolarHBondContact O-N 3.48Å; S62-T66 PolarHBondContact O-OG1 2.98Å |
| 63 | A | 98.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.033 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T37 T59 L60 A65 T66 N67 V116 | T37-A63 HydrophobicContact CG2-CB 4.04Å; T37-A63 PolarHBondContact OG1-N 3.33Å; T59-A63 VanDerWaalsContact O-CB 3.27Å; T59-A63 WeakPolarHBondContact O-CB 3.33Å; T59-A63 PolarHBondContact O-N 2.98Å; L60-A63 PolarHBondContact O-N 3.3Å; A63-A65 PolarHBondContact O-N 2.88Å; A63-T66 WeakPolarHBondContact O-CB 3.17Å; A63-T66 PolarHBondContact O-N 3.35Å; A63-N67 WeakPolarHBondContact O-CB 3.28Å; A63-N67 PolarHBondContact O-N 3.48Å; A63-N67 PolarHBondContact O-ND2 2.89Å; A63-V116 HydrophobicContact CB-CB 3.96Å; A63-V116 HydrophobicContact CB-CG1 4Å; A63-V116 HydrophobicContact CB-CG2 4.48Å |
| 64 | A | 98.1 | Very high | 95.6 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 10% | 0.099 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | L60 L61 T66 N67 A68 L97 C100 | L60-A64 VanDerWaalsContact O-CB 3.22Å; L60-A64 WeakPolarHBondContact O-CB 3.42Å; L60-A64 PolarHBondContact O-N 3.32Å; L61-A64 PolarHBondContact O-N 3.3Å; A64-T66 VanDerWaalsContact C-N 3.35Å; A64-T66 PolarHBondContact O-N 3.37Å; A64-N67 PolarHBondContact O-N 3.26Å; A64-A68 WeakPolarHBondContact O-CB 3.39Å; A64-A68 PolarHBondContact O-N 3.4Å; A64-L97 HydrophobicContact CB-CD1 3.98Å; A64-L97 WeakPolarHBondContact O-CD1 2.99Å; A64-C100 HydrophobicContact CB-CB 3.83Å |
| 65 | A | 98 | Very high | 95.3 | Very high | 42 Ų | 42 | 39.6 Ų | 39.6 | 35% | 0.347 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L33 L61 A63 N67 A68 L69 | L33-A65 HydrophobicContact CD1-CB 4.06Å; L33-A65 HydrophobicContact CD2-CB 4.31Å; L61-A65 WeakPolarHBondContact O-CB 3.5Å; L61-A65 PolarHBondContact O-N 3.46Å; A63-A65 PolarHBondContact O-N 2.88Å; A65-N67 VanDerWaalsContact C-N 3.32Å; A65-N67 PolarHBondContact O-N 3.35Å; A65-A68 PolarHBondContact O-N 2.92Å; A65-L69 VanDerWaalsContact O-CB 3.31Å; A65-L69 WeakPolarHBondContact O-CB 3.26Å; A65-L69 PolarHBondContact O-N 3.19Å |
| 66 | T | 97.9 | Very high | 94.8 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 6% | 0.055 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.7 | -46.6 | 174.9 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | L30 L33 R34 S62 A63 A64 R70 | L30-T66 HydrophobicContact CD2-CG2 3.8Å; L30-T66 VanDerWaalsContact CD2-O 3.26Å; L30-T66 WeakPolarHBondContact CD2-O 3.31Å; L33-T66 VanDerWaalsContact CB-OG1 3.29Å; L33-T66 WeakPolarHBondContact CB-OG1 3.18Å; R34-T66 HydrophobicContact CG-CG2 3.89Å; S62-T66 WeakPolarHBondContact O-CB 3.39Å; S62-T66 PolarHBondContact O-N 3.48Å; S62-T66 PolarHBondContact O-OG1 2.98Å; A63-T66 WeakPolarHBondContact O-CB 3.17Å; A63-T66 PolarHBondContact O-N 3.35Å; A64-T66 VanDerWaalsContact C-N 3.35Å; A64-T66 PolarHBondContact O-N 3.37Å; T66-R70 WeakPolarHBondContact O-CB 3.48Å; T66-R70 PolarHBondContact O-N 2.92Å |
| 67 | N | 96.3 | Very high | 94.3 | Very high | 25 Ų | 25 | 51.3 Ų | 51.3 | 13% | 0.134 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.4 | -38 | -177.8 | -74.5 | -45.9 | 0 | 0 | 0 | 112.8 | A63 A64 A65 R70 L71 S93 Y96 L97 | A63-N67 WeakPolarHBondContact O-CB 3.28Å; A63-N67 PolarHBondContact O-N 3.48Å; A63-N67 PolarHBondContact O-ND2 2.89Å; A64-N67 PolarHBondContact O-N 3.26Å; A65-N67 VanDerWaalsContact C-N 3.32Å; A65-N67 PolarHBondContact O-N 3.35Å; N67-R70 PolarHBondContact O-N 3.4Å; N67-L71 WeakPolarHBondContact O-CB 3.5Å; N67-L71 PolarHBondContact O-N 3.14Å; N67-S93 WeakPolarHBondContact CB-O 3.48Å; N67-S93 WeakPolarHBondContact O-CB 3.34Å; N67-Y96 VanDerWaalsContact ND2-CB 3.28Å; N67-Y96 WeakPolarHBondContact ND2-CB 3.18Å; N67-L97 HydrophobicContact CB-CB 4.28Å |
| 68 | A | 96 | Very high | 93.8 | Very high | 42 Ų | 42 | 53.6 Ų | 53.6 | 35% | 0.347 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A64 A65 L71 H72 L97 | A64-A68 WeakPolarHBondContact O-CB 3.39Å; A64-A68 PolarHBondContact O-N 3.4Å; A65-A68 PolarHBondContact O-N 2.92Å; A68-L71 WeakPolarHBondContact O-CB 3.47Å; A68-L71 PolarHBondContact O-N 3.35Å; A68-H72 PolarHBondContact O-N 3.14Å; A68-L97 HydrophobicContact CB-CD1 4.18Å; A68-L97 HydrophobicContact CB-CD2 4.48Å |
| 69 | L | 95.1 | Very high | 93.4 | Very high | 44 Ų | 44 | 53.1 Ų | 53.1 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 178.2 | -174.2 | 58.5 | 0 | 0 | 0 | 111.7 | I26 V29 L30 L33 A65 L71 H72 Q73 | I26-L69 HydrophobicContact CG2-CD1 3.67Å; I26-L69 HydrophobicContact CG2-CD2 3.78Å; I26-L69 HydrophobicContact CG2-CG 3.54Å; V29-L69 HydrophobicContact CB-CD2 4.14Å; V29-L69 HydrophobicContact CG1-CD2 3.66Å; L30-L69 HydrophobicContact CD2-CB 3.9Å; L30-L69 HydrophobicContact CD2-CD2 3.87Å; L30-L69 HydrophobicContact CD2-CG 3.98Å; L30-L69 HydrophobicContact CG-CD2 3.95Å; L30-L69 HydrophobicContact CG-CG 4.24Å; L33-L69 HydrophobicContact CD1-CD2 4.36Å; A65-L69 VanDerWaalsContact O-CB 3.31Å; A65-L69 WeakPolarHBondContact O-CB 3.26Å; A65-L69 PolarHBondContact O-N 3.19Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 3.44Å; L69-H72 PolarHBondContact O-N 3.24Å; L69-Q73 PolarHBondContact O-N 3.22Å |
| 70 | R | 93.7 | Very high | 92.8 | Very high | 70 Ų | 70 | 63 Ų | 63 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | 173.6 | -178 | 61.9 | 170.5 | -157.2 | 0.2 | 111.9 | L30 T66 N67 Q73 R74 S93 | L30-R70 HydrophobicContact CD2-CB 4.38Å; T66-R70 WeakPolarHBondContact O-CB 3.48Å; T66-R70 PolarHBondContact O-N 2.92Å; N67-R70 PolarHBondContact O-N 3.4Å; R70-Q73 PolarHBondContact O-N 3.3Å; R70-R74 WeakPolarHBondContact O-CG 3.48Å; R70-R74 PolarHBondContact O-N 3.08Å; R70-R74 VanDerWaalsContact O-N 3.14Å; R70-S93 VanDerWaalsContact CG-OG 3.28Å; R70-S93 WeakPolarHBondContact CG-OG 3.31Å |
| 71 | L | 92.8 | Very high | 92.5 | Very high | 18 Ų | 18 | 66.1 Ų | 66.1 | 9% | 0.094 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.1 | -49 | 174.9 | -176.9 | 63.9 | 0 | 0 | 0 | 110.1 | N67 A68 L69 Q73 R74 V75 T88 E91 F94 | N67-L71 WeakPolarHBondContact O-CB 3.5Å; N67-L71 PolarHBondContact O-N 3.14Å; A68-L71 WeakPolarHBondContact O-CB 3.47Å; A68-L71 PolarHBondContact O-N 3.35Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 3.44Å; L71-Q73 VanDerWaalsContact C-N 3.33Å; L71-Q73 PolarHBondContact O-N 3.38Å; L71-R74 PolarHBondContact O-N 3.46Å; L71-V75 HydrophobicContact CD1-CG1 3.76Å; L71-V75 HydrophobicContact CG-CG1 4.27Å; L71-V75 VanDerWaalsContact O-CG2 3.25Å; L71-V75 WeakPolarHBondContact O-CG2 3.49Å; L71-V75 PolarHBondContact O-N 2.95Å; L71-T88 HydrophobicContact CD1-CG2 4.17Å; L71-T88 HydrophobicContact CD2-CG2 4Å; L71-T88 HydrophobicContact CG-CG2 4.45Å; L71-E91 HydrophobicContact CD1-CB 3.7Å; L71-E91 HydrophobicContact CD1-CG 4.23Å; L71-F94 HydrophobicContact CD1-CB 3.93Å; L71-F94 HydrophobicContact CD2-CB 3.96Å; L71-F94 HydrophobicContact CD2-CD2 3.8Å; L71-F94 HydrophobicContact CD2-CG 4.38Å |
| 72 | H | 91 | Very high | 92.1 | Very high | 98 Ų | 98 | 67.4 Ų | 67.4 | 45% | 0.454 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.9 | -44.6 | 176.5 | -178.9 | 63.4 | 0 | 0 | 0 | 112.4 | A68 L69 R74 G76 | A68-H72 PolarHBondContact O-N 3.14Å; L69-H72 PolarHBondContact O-N 3.24Å; H72-R74 VanDerWaalsContact C-N 3.28Å; H72-R74 PolarHBondContact O-N 3.36Å; H72-G76 PolarHBondContact O-N 2.88Å |
| 73 | Q | 90.6 | Very high | 91.7 | Very high | 54 Ų | 54 | 71 Ų | 71 | 25% | 0.252 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.5 | -34.4 | 175.1 | -73.9 | -173.3 | -41.8 | 0 | 0 | 113.5 | I26 N27 L69 R70 L71 | I26-Q73 HydrophobicContact CB-CG 4.46Å; I26-Q73 HydrophobicContact CD1-CG 4.28Å; I26-Q73 VanDerWaalsContact CG2-CD 3.45Å; I26-Q73 HydrophobicContact CG2-CG 3.67Å; N27-Q73 PolarHBondContact OD1-NE2 3.14Å; L69-Q73 PolarHBondContact O-N 3.22Å; R70-Q73 PolarHBondContact O-N 3.3Å; L71-Q73 VanDerWaalsContact C-N 3.33Å; L71-Q73 PolarHBondContact O-N 3.38Å |
| 74 | R | 89.3 | Confident | 91.2 | Very high | 86 Ų | 86 | 72.2 Ų | 72.2 | 33% | 0.325 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -84.6 | -40.1 | -175.5 | -74.9 | -169.3 | 179.1 | -174.3 | 3.4 | 113.5 | R70 L71 H72 E91 | R70-R74 WeakPolarHBondContact O-CG 3.48Å; R70-R74 PolarHBondContact O-N 3.08Å; R70-R74 VanDerWaalsContact O-N 3.14Å; L71-R74 PolarHBondContact O-N 3.46Å; H72-R74 VanDerWaalsContact C-N 3.28Å; H72-R74 PolarHBondContact O-N 3.36Å; R74-E91 WeakPolarHBondContact CD-OE2 3.36Å; R74-E91 IonicContact CZ-OE2 2.68Å; R74-E91 IonicContact NE-OE2 3.22Å; R74-E91 IonicContact NH1-OE2 2.79Å; R74-E91 PolarHBondContact NH1-OE2 3.32Å |
| 75 | V | 87.6 | Confident | 90.8 | Very high | 26 Ų | 26 | 75.6 Ų | 75.6 | 16% | 0.158 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -82.9 | -22.7 | -179.4 | -57.5 | 0 | 0 | 0 | 0 | 112 | L71 F84 E91 | L71-V75 HydrophobicContact CD1-CG1 3.76Å; L71-V75 HydrophobicContact CG-CG1 4.27Å; L71-V75 VanDerWaalsContact O-CG2 3.25Å; L71-V75 WeakPolarHBondContact O-CG2 3.49Å; L71-V75 PolarHBondContact O-N 2.95Å; V75-F84 HydrophobicContact CB-CE2 3.83Å; V75-F84 HydrophobicContact CB-CZ 4.01Å; V75-F84 HydrophobicContact CG2-CE2 4.09Å; V75-F84 HydrophobicContact CG2-CZ 3.87Å; V75-E91 HydrophobicContact CG1-CG 4.41Å |
| 76 | G | 84.6 | Confident | 90.3 | Very high | 32 Ų | 32 | 79 Ų | 79 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | trans | 70.8 | -132.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | H72 | H72-G76 PolarHBondContact O-N 2.88Š| ||
| 77 | R | 85.7 | Confident | 89.8 | Confident | 222 Ų | 222 | 82.6 Ų | 82.6 | 84% | 0.838 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -69.1 | 132.4 | -178.3 | -67.3 | -177.3 | 179.3 | 176.9 | -0.3 | 110.5 | Q79 F84 | R77-Q79 PolarHBondContact O-N 3.49Å; R77-F84 WeakPolarHBondContact O-CE2 3.46Å |
| 78 | I | 86.2 | Confident | 89.4 | Confident | 113 Ų | 113 | 82 Ų | 82 | 58% | 0.579 | 40% | 0.404 | S | S | * | . | trans | -65 | 123.7 | 177.7 | -60.3 | 173.5 | 0 | 0 | 0 | 108.9 | F80 F84 | I78-F80 HydrophobicContact CG2-CE1 4.4Å; I78-F80 HydrophobicContact CG2-CE2 4.16Å; I78-F80 HydrophobicContact CG2-CZ 4.06Å; I78-F84 HydrophobicContact CB-CZ 4.44Å; I78-F84 HydrophobicContact CG2-CE1 4.28Å; I78-F84 HydrophobicContact CG2-CZ 4.46Å | ||
| 79 | Q | 87.6 | Confident | 89 | Confident | 109 Ų | 109 | 84.3 Ų | 84.3 | 51% | 0.509 | 41% | 0.406 | S | S | . | . | trans | -118 | 127.5 | 172.9 | -62.4 | -179.1 | -10.2 | 0 | 0 | 108.8 | R77 N81 F84 | R77-Q79 PolarHBondContact O-N 3.49Å; Q79-N81 PolarHBondContact O-N 2.81Å; Q79-N81 PolarHBondContact OE1-ND2 3.1Å; Q79-F84 HydrophobicContact CB-CB 3.94Å; Q79-F84 HydrophobicContact CB-CD2 3.96Å; Q79-F84 HydrophobicContact CB-CG 3.96Å; Q79-F84 HydrophobicContact CG-CD2 4.41Å; Q79-F84 VanDerWaalsContact O-CB 3.3Å; Q79-F84 WeakPolarHBondContact O-CB 3.49Å; Q79-F84 WeakPolarHBondContact O-CD1 3.48Å; Q79-F84 WeakPolarHBondContact O-CG 3.45Å | ||
| 80 | F | 86.2 | Confident | 88.7 | Confident | 206 Ų | 206 | 86 Ų | 86 | 90% | 0.904 | 42% | 0.421 | S | S | * | . | trans | -84.8 | 61.7 | 178 | -66.7 | -78.9 | 0 | 0 | 0 | 111.1 | I78 | I78-F80 HydrophobicContact CG2-CE1 4.4Å; I78-F80 HydrophobicContact CG2-CE2 4.16Å; I78-F80 HydrophobicContact CG2-CZ 4.06Å | ||
| 81 | N | 91.3 | Very high | 88.5 | Confident | 66 Ų | 66 | 83.1 Ų | 83.1 | 35% | 0.353 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -130.4 | 157.2 | 174 | 66.4 | 42.5 | 0 | 0 | 0 | 111.1 | Q79 S83 F84 L85 | Q79-N81 PolarHBondContact O-N 2.81Å; Q79-N81 PolarHBondContact OE1-ND2 3.1Å; N81-S83 PolarHBondContact O-N 3.1Å; N81-S83 PolarHBondContact OD1-N 3.08Å; N81-F84 PolarHBondContact O-N 3.18Å; N81-F84 WeakPolarHBondContact OD1-CA 3.31Å; N81-F84 WeakPolarHBondContact OD1-CB 3.47Å; N81-F84 PolarHBondContact OD1-N 3.17Å; N81-L85 PolarHBondContact O-N 3.05Å; N81-L85 VanDerWaalsContact O-N 3.12Å |
| 82 | M | 90.1 | Very high | 88.4 | Confident | 128 Ų | 128 | 83 Ų | 83 | 63% | 0.631 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.3 | -34.2 | -177.8 | -174.3 | 59.1 | 118 | 0 | 0 | 111.7 | F84 L85 Q86 | M82-F84 PolarHBondContact O-N 3.48Å; M82-L85 PolarHBondContact O-N 3.38Å; M82-L85 HydrophobicContact SD-CD2 4.18Å; M82-Q86 HydrophobicContact CG-CG 4.31Å; M82-Q86 WeakPolarHBondContact O-CB 3.35Å; M82-Q86 VanDerWaalsContact O-CG 3.27Å; M82-Q86 WeakPolarHBondContact O-CG 3.3Å; M82-Q86 PolarHBondContact O-N 3.43Å; M82-Q86 HydrophobicContact SD-CG 4.41Å |
| 83 | S | 89.1 | Confident | 88.5 | Confident | 84 Ų | 84 | 78.6 Ų | 78.6 | 59% | 0.587 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 178.2 | -50 | 0 | 0 | 0 | 0 | 112.4 | N81 N87 | N81-S83 PolarHBondContact O-N 3.1Å; N81-S83 PolarHBondContact OD1-N 3.08Å; S83-N87 VanDerWaalsContact O-CB 3.31Å; S83-N87 WeakPolarHBondContact O-CB 3.49Å; S83-N87 PolarHBondContact O-N 3.25Å |
| 84 | F | 88.8 | Confident | 88.6 | Confident | 31 Ų | 31 | 77.5 Ų | 77.5 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 175.8 | 175.7 | -91 | 0 | 0 | 0 | 110.7 | V75 R77 I78 Q79 N81 M82 N87 T88 | V75-F84 HydrophobicContact CB-CE2 3.83Å; V75-F84 HydrophobicContact CB-CZ 4.01Å; V75-F84 HydrophobicContact CG2-CE2 4.09Å; V75-F84 HydrophobicContact CG2-CZ 3.87Å; R77-F84 WeakPolarHBondContact O-CE2 3.46Å; I78-F84 HydrophobicContact CB-CZ 4.44Å; I78-F84 HydrophobicContact CG2-CE1 4.28Å; I78-F84 HydrophobicContact CG2-CZ 4.46Å; Q79-F84 HydrophobicContact CB-CB 3.94Å; Q79-F84 HydrophobicContact CB-CD2 3.96Å; Q79-F84 HydrophobicContact CB-CG 3.96Å; Q79-F84 HydrophobicContact CG-CD2 4.41Å; Q79-F84 VanDerWaalsContact O-CB 3.3Å; Q79-F84 WeakPolarHBondContact O-CB 3.49Å; Q79-F84 WeakPolarHBondContact O-CD1 3.48Å; Q79-F84 WeakPolarHBondContact O-CG 3.45Å; N81-F84 PolarHBondContact O-N 3.18Å; N81-F84 WeakPolarHBondContact OD1-CA 3.31Å; N81-F84 WeakPolarHBondContact OD1-CB 3.47Å; N81-F84 PolarHBondContact OD1-N 3.17Å; M82-F84 PolarHBondContact O-N 3.48Å; F84-N87 PolarHBondContact O-N 3.18Å; F84-T88 WeakPolarHBondContact O-CB 3.39Å; F84-T88 PolarHBondContact O-N 3.19Å; F84-T88 PolarHBondContact O-OG1 3.37Å |
| 85 | L | 88 | Confident | 88.8 | Confident | 82 Ų | 82 | 73.5 Ų | 73.5 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 176.8 | -174 | 61.4 | 0 | 0 | 0 | 111.1 | N81 M82 N87 T88 F89 | N81-L85 PolarHBondContact O-N 3.05Å; N81-L85 VanDerWaalsContact O-N 3.12Å; M82-L85 PolarHBondContact O-N 3.38Å; M82-L85 HydrophobicContact SD-CD2 4.18Å; L85-N87 PolarHBondContact O-N 3.39Å; L85-T88 WeakPolarHBondContact O-CB 3.44Å; L85-T88 PolarHBondContact O-N 3.05Å; L85-F89 HydrophobicContact CD1-CD2 3.84Å; L85-F89 HydrophobicContact CD1-CE2 3.37Å; L85-F89 HydrophobicContact CD1-CZ 4.24Å; L85-F89 HydrophobicContact CD2-CE2 4.01Å; L85-F89 HydrophobicContact CG-CD2 3.72Å; L85-F89 HydrophobicContact CG-CE2 3.48Å; L85-F89 VanDerWaalsContact CG-CE2 3.48Å; L85-F89 WeakPolarHBondContact O-CD2 3.44Å; L85-F89 PolarHBondContact O-N 3.03Å |
| 86 | Q | 87.7 | Confident | 89.2 | Confident | 113 Ų | 113 | 73 Ų | 73 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 175.2 | -74 | 174.4 | -9.3 | 0 | 0 | 112 | M82 T88 F89 C90 | M82-Q86 HydrophobicContact CG-CG 4.31Å; M82-Q86 WeakPolarHBondContact O-CB 3.35Å; M82-Q86 VanDerWaalsContact O-CG 3.27Å; M82-Q86 WeakPolarHBondContact O-CG 3.3Å; M82-Q86 PolarHBondContact O-N 3.43Å; M82-Q86 HydrophobicContact SD-CG 4.41Å; Q86-T88 VanDerWaalsContact C-N 3.33Å; Q86-T88 PolarHBondContact O-N 2.79Å; Q86-F89 PolarHBondContact O-N 3.28Å; Q86-C90 PolarHBondContact O-N 3.08Å; Q86-C90 PolarHBondContact O-SG 3.28Å |
| 87 | N | 87.1 | Confident | 89.7 | Confident | 85 Ų | 85 | 73 Ų | 73 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.4 | -171.3 | 44.5 | 0 | 0 | 0 | 111.7 | S83 F84 L85 C90 E91 | S83-N87 VanDerWaalsContact O-CB 3.31Å; S83-N87 WeakPolarHBondContact O-CB 3.49Å; S83-N87 PolarHBondContact O-N 3.25Å; F84-N87 PolarHBondContact O-N 3.18Å; L85-N87 PolarHBondContact O-N 3.39Å; N87-C90 WeakPolarHBondContact O-CB 3.35Å; N87-C90 PolarHBondContact O-N 3.24Å; N87-C90 VanDerWaalsContact O-N 3.15Å; N87-E91 PolarHBondContact O-N 2.9Å |
| 88 | T | 89 | Confident | 90.1 | Very high | 14 Ų | 14 | 64.6 Ų | 64.6 | 9% | 0.086 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 176 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | L71 F84 L85 Q86 C90 E91 F94 | L71-T88 HydrophobicContact CD1-CG2 4.17Å; L71-T88 HydrophobicContact CD2-CG2 4Å; L71-T88 HydrophobicContact CG-CG2 4.45Å; F84-T88 WeakPolarHBondContact O-CB 3.39Å; F84-T88 PolarHBondContact O-N 3.19Å; F84-T88 PolarHBondContact O-OG1 3.37Å; L85-T88 WeakPolarHBondContact O-CB 3.44Å; L85-T88 PolarHBondContact O-N 3.05Å; Q86-T88 VanDerWaalsContact C-N 3.33Å; Q86-T88 PolarHBondContact O-N 2.79Å; T88-C90 PolarHBondContact O-N 3.39Å; T88-E91 WeakPolarHBondContact O-CB 3.36Å; T88-E91 PolarHBondContact O-N 3.45Å; T88-E91 VanDerWaalsContact O-N 3.11Å; T88-F94 HydrophobicContact CG2-CD2 4Å; T88-F94 HydrophobicContact CG2-CG 4.34Å; T88-F94 WeakPolarHBondContact O-CB 3.3Å |
| 89 | F | 88 | Confident | 90.5 | Very high | 89 Ų | 89 | 59.2 Ų | 59.2 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.6 | -20.3 | 175.5 | -83.1 | -65.7 | 0 | 0 | 0 | 113.5 | L85 Q86 F94 H95 | L85-F89 HydrophobicContact CD1-CD2 3.84Å; L85-F89 HydrophobicContact CD1-CE2 3.37Å; L85-F89 HydrophobicContact CD1-CZ 4.24Å; L85-F89 HydrophobicContact CD2-CE2 4.01Å; L85-F89 HydrophobicContact CG-CD2 3.72Å; L85-F89 HydrophobicContact CG-CE2 3.48Å; L85-F89 VanDerWaalsContact CG-CE2 3.48Å; L85-F89 WeakPolarHBondContact O-CD2 3.44Å; L85-F89 PolarHBondContact O-N 3.03Å; Q86-F89 PolarHBondContact O-N 3.28Å; F89-F94 AromaticContact CD1-CD1 3.81Å; F89-F94 HydrophobicContact CD1-CD1 3.81Å; F89-F94 AromaticContact CD1-CE1 3.13Å; F89-F94 HydrophobicContact CD1-CE1 3.13Å; F89-F94 AromaticContact CD1-CZ 3.7Å; F89-F94 HydrophobicContact CD1-CZ 3.7Å; F89-F94 HydrophobicContact CE1-CD1 4.31Å; F89-F94 AromaticContact CE1-CE1 3.24Å; F89-F94 HydrophobicContact CE1-CE1 3.24Å; F89-F94 HydrophobicContact CE1-CE2 4.49Å; F89-F94 AromaticContact CE1-CZ 3.34Å; F89-F94 HydrophobicContact CE1-CZ 3.34Å; F89-F94 HydrophobicContact CG-CE1 4.2Å; F89-F94 HydrophobicContact CZ-CE1 4.39Å; F89-F94 HydrophobicContact CZ-CZ 4.15Å; F89-H95 PolarHBondContact O-CD2 2.87Å; F89-H95 PolarHBondContact O-NE2 3.31Å |
| 90 | C | 87.6 | Confident | 91 | Very high | 81 Ų | 81 | 54 Ų | 54 | 55% | 0.547 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -86.2 | -11.8 | 175 | -72.2 | 0 | 0 | 0 | 0 | 113.3 | Q86 N87 T88 | Q86-C90 PolarHBondContact O-N 3.08Å; Q86-C90 PolarHBondContact O-SG 3.28Å; N87-C90 WeakPolarHBondContact O-CB 3.35Å; N87-C90 PolarHBondContact O-N 3.24Å; N87-C90 VanDerWaalsContact O-N 3.15Å; T88-C90 PolarHBondContact O-N 3.39Å |
| 91 | E | 90.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | trans | -79.3 | 130.3 | -178.3 | -84.1 | -64.8 | 153.8 | 0 | 0 | 112.4 | L71 R74 V75 N87 T88 S93 F94 H95 R201 | L71-E91 HydrophobicContact CD1-CB 3.7Å; L71-E91 HydrophobicContact CD1-CG 4.23Å; R74-E91 WeakPolarHBondContact CD-OE2 3.36Å; R74-E91 IonicContact CZ-OE2 2.68Å; R74-E91 IonicContact NE-OE2 3.22Å; R74-E91 IonicContact NH1-OE2 2.79Å; R74-E91 PolarHBondContact NH1-OE2 3.32Å; V75-E91 HydrophobicContact CG1-CG 4.41Å; N87-E91 PolarHBondContact O-N 2.9Å; T88-E91 WeakPolarHBondContact O-CB 3.36Å; T88-E91 PolarHBondContact O-N 3.45Å; T88-E91 VanDerWaalsContact O-N 3.11Å; E91-S93 PolarHBondContact O-N 3Å; E91-S93 VanDerWaalsContact O-N 3.14Å; E91-F94 WeakPolarHBondContact O-CB 3.39Å; E91-F94 PolarHBondContact O-N 3.5Å; E91-H95 PolarHBondContact O-N 3.14Å; E91-R201 IonicContact OE1-CZ 3.14Å; E91-R201 IonicContact OE1-NH1 2.78Å; E91-R201 PolarHBondContact OE1-NH1 3.24Å | ||
| 92 | D | 90.8 | Very high | 91.4 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 9% | 0.086 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.1 | -35.5 | 179.3 | -62.7 | -39.2 | 0 | 0 | 0 | 111.7 | F94 H95 Y96 R196 S199 | D92-F94 VanDerWaalsContact C-N 3.26Å; D92-F94 PolarHBondContact O-N 2.85Å; D92-H95 WeakPolarHBondContact O-CB 3.23Å; D92-H95 PolarHBondContact O-N 2.88Å; D92-H95 VanDerWaalsContact O-N 3.08Å; D92-Y96 HydrophobicContact CB-CE2 4.42Å; D92-Y96 WeakPolarHBondContact O-CD2 3.26Å; D92-Y96 PolarHBondContact O-N 3.07Å; D92-R196 IonicContact OD1-NH1 3.42Å; D92-R196 PolarHBondContact OD1-NH1 3.43Å; D92-S199 PolarHBondContact OD1-OG 3.29Å |
| 93 | S | 92.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -35.3 | 178.8 | -40.5 | 0 | 0 | 0 | 0 | 111.4 | N67 R70 E91 L97 | N67-S93 WeakPolarHBondContact CB-O 3.48Å; N67-S93 WeakPolarHBondContact O-CB 3.34Å; R70-S93 VanDerWaalsContact CG-OG 3.28Å; R70-S93 WeakPolarHBondContact CG-OG 3.31Å; E91-S93 PolarHBondContact O-N 3Å; E91-S93 VanDerWaalsContact O-N 3.14Å; S93-L97 WeakPolarHBondContact O-CB 3.25Å; S93-L97 PolarHBondContact O-N 2.94Å |
| 94 | F | 92.8 | Very high | 91.8 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 13% | 0.132 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.5 | -39.7 | 173.5 | -178.9 | -94.7 | 0 | 0 | 0 | 111.2 | L71 T88 F89 E91 D92 Y96 L97 L98 | L71-F94 HydrophobicContact CD1-CB 3.93Å; L71-F94 HydrophobicContact CD2-CB 3.96Å; L71-F94 HydrophobicContact CD2-CD2 3.8Å; L71-F94 HydrophobicContact CD2-CG 4.38Å; T88-F94 HydrophobicContact CG2-CD2 4Å; T88-F94 HydrophobicContact CG2-CG 4.34Å; T88-F94 WeakPolarHBondContact O-CB 3.3Å; F89-F94 AromaticContact CD1-CD1 3.81Å; F89-F94 HydrophobicContact CD1-CD1 3.81Å; F89-F94 AromaticContact CD1-CE1 3.13Å; F89-F94 HydrophobicContact CD1-CE1 3.13Å; F89-F94 AromaticContact CD1-CZ 3.7Å; F89-F94 HydrophobicContact CD1-CZ 3.7Å; F89-F94 HydrophobicContact CE1-CD1 4.31Å; F89-F94 AromaticContact CE1-CE1 3.24Å; F89-F94 HydrophobicContact CE1-CE1 3.24Å; F89-F94 HydrophobicContact CE1-CE2 4.49Å; F89-F94 AromaticContact CE1-CZ 3.34Å; F89-F94 HydrophobicContact CE1-CZ 3.34Å; F89-F94 HydrophobicContact CG-CE1 4.2Å; F89-F94 HydrophobicContact CZ-CE1 4.39Å; F89-F94 HydrophobicContact CZ-CZ 4.15Å; E91-F94 WeakPolarHBondContact O-CB 3.39Å; E91-F94 PolarHBondContact O-N 3.5Å; D92-F94 VanDerWaalsContact C-N 3.26Å; D92-F94 PolarHBondContact O-N 2.85Å; F94-Y96 VanDerWaalsContact C-N 3.35Å; F94-Y96 PolarHBondContact O-N 3.46Å; F94-L97 WeakPolarHBondContact O-CB 3.38Å; F94-L97 PolarHBondContact O-N 3.32Å; F94-L98 HydrophobicContact CD1-CD1 4.12Å; F94-L98 HydrophobicContact CD1-CG 4.29Å; F94-L98 HydrophobicContact CE1-CD1 3.41Å; F94-L98 VanDerWaalsContact CE1-CD1 3.41Å; F94-L98 HydrophobicContact CE1-CD2 4.24Å; F94-L98 HydrophobicContact CE1-CG 3.71Å; F94-L98 HydrophobicContact CZ-CD1 4.02Å; F94-L98 HydrophobicContact CZ-CD2 4.01Å; F94-L98 HydrophobicContact CZ-CG 3.96Å; F94-L98 PolarHBondContact O-N 2.86Å |
| 95 | H | 93.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -45.6 | 174.8 | -55.2 | 163.8 | 0 | 0 | 0 | 111.4 | F89 E91 D92 L97 L98 Y99 F192 R196 | F89-H95 PolarHBondContact O-CD2 2.87Å; F89-H95 PolarHBondContact O-NE2 3.31Å; E91-H95 PolarHBondContact O-N 3.14Å; D92-H95 WeakPolarHBondContact O-CB 3.23Å; D92-H95 PolarHBondContact O-N 2.88Å; D92-H95 VanDerWaalsContact O-N 3.08Å; H95-L97 VanDerWaalsContact C-N 3.32Å; H95-L97 PolarHBondContact O-N 3.16Å; H95-L98 WeakPolarHBondContact O-CB 3.33Å; H95-L98 PolarHBondContact O-N 3.24Å; H95-Y99 WeakPolarHBondContact O-CB 3.37Å; H95-Y99 PolarHBondContact O-N 3.49Å; H95-F192 HydrophobicContact CB-CD2 4.1Å; H95-F192 HydrophobicContact CB-CE2 3.86Å; H95-F192 VanDerWaalsContact O-CD2 3.32Å; H95-F192 WeakPolarHBondContact O-CD2 3.24Å; H95-F192 VanDerWaalsContact O-CE2 3.29Å; H95-F192 WeakPolarHBondContact O-CE2 3.27Å; H95-R196 HydrophobicContact CB-CG 4.3Å; H95-R196 WeakPolarHBondContact ND1-CD 3.33Å |
| 96 | Y | 95.2 | Very high | 91.9 | Very high | 15 Ų | 15 | 38 Ų | 38 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.4 | -24.2 | 177.8 | -71.7 | -73 | 0 | 0 | 0 | 113.5 | N67 D92 F94 Y99 C100 F119 E165 F192 R196 | N67-Y96 VanDerWaalsContact ND2-CB 3.28Å; N67-Y96 WeakPolarHBondContact ND2-CB 3.18Å; D92-Y96 HydrophobicContact CB-CE2 4.42Å; D92-Y96 WeakPolarHBondContact O-CD2 3.26Å; D92-Y96 PolarHBondContact O-N 3.07Å; F94-Y96 VanDerWaalsContact C-N 3.35Å; F94-Y96 PolarHBondContact O-N 3.46Å; Y96-Y99 WeakPolarHBondContact O-CB 3.42Å; Y96-Y99 PolarHBondContact O-N 3.41Å; Y96-C100 PolarHBondContact O-N 2.93Å; Y96-C100 PolarHBondContact O-SG 3.04Å; Y96-F119 AromaticContact CE1-CD2 3.92Å; Y96-F119 HydrophobicContact CE1-CD2 3.92Å; Y96-F119 AromaticContact CE1-CE2 3.53Å; Y96-F119 HydrophobicContact CE1-CE2 3.53Å; Y96-F119 HydrophobicContact CE1-CZ 4.4Å; Y96-F119 HydrophobicContact CE2-CE2 4.19Å; Y96-F119 HydrophobicContact CE2-CZ 4.39Å; Y96-F119 AromaticContact CZ-CD2 3.93Å; Y96-F119 AromaticContact CZ-CE2 3.29Å; Y96-F119 AromaticContact CZ-CZ 3.72Å; Y96-F119 WeakPolarHBondContact OH-CE2 3.4Å; Y96-F119 WeakPolarHBondContact OH-CZ 3.32Å; Y96-E165 WeakPolarHBondContact CE1-OE1 3.44Å; Y96-E165 VanDerWaalsContact CZ-OE1 3.27Å; Y96-E165 PolarHBondContact OH-OE1 3.12Å; Y96-F192 HydrophobicContact CE1-CZ 4.47Å; Y96-R196 PolarHBondContact OH-NE 3.47Å; Y96-R196 PolarHBondContact OH-NH2 3.23Å |
| 97 | L | 95.5 | Very high | 92 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 17% | 0.173 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.3 | -49.2 | 168.8 | -177.5 | 64.5 | 0 | 0 | 0 | 110.4 | A64 N67 A68 S93 F94 H95 Y99 C100 M101 | A64-L97 HydrophobicContact CB-CD1 3.98Å; A64-L97 WeakPolarHBondContact O-CD1 2.99Å; N67-L97 HydrophobicContact CB-CB 4.28Å; A68-L97 HydrophobicContact CB-CD1 4.18Å; A68-L97 HydrophobicContact CB-CD2 4.48Å; S93-L97 WeakPolarHBondContact O-CB 3.25Å; S93-L97 PolarHBondContact O-N 2.94Å; F94-L97 WeakPolarHBondContact O-CB 3.38Å; F94-L97 PolarHBondContact O-N 3.32Å; H95-L97 VanDerWaalsContact C-N 3.32Å; H95-L97 PolarHBondContact O-N 3.16Å; L97-Y99 VanDerWaalsContact C-N 3.32Å; L97-Y99 PolarHBondContact O-N 2.96Å; L97-C100 PolarHBondContact O-N 3.48Å; L97-M101 HydrophobicContact CG-CE 4.23Å; L97-M101 WeakPolarHBondContact O-CG 3.49Å; L97-M101 PolarHBondContact O-N 2.95Å; L97-M101 VanDerWaalsContact O-N 3.09Å |
| 98 | L | 93.5 | Very high | 92.3 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 24% | 0.236 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59 | -44 | 173.4 | -70.2 | -176.2 | 0 | 0 | 0 | 111.5 | F94 H95 C100 M101 I102 M195 | F94-L98 HydrophobicContact CD1-CD1 4.12Å; F94-L98 HydrophobicContact CD1-CG 4.29Å; F94-L98 HydrophobicContact CE1-CD1 3.41Å; F94-L98 VanDerWaalsContact CE1-CD1 3.41Å; F94-L98 HydrophobicContact CE1-CD2 4.24Å; F94-L98 HydrophobicContact CE1-CG 3.71Å; F94-L98 HydrophobicContact CZ-CD1 4.02Å; F94-L98 HydrophobicContact CZ-CD2 4.01Å; F94-L98 HydrophobicContact CZ-CG 3.96Å; F94-L98 PolarHBondContact O-N 2.86Å; H95-L98 WeakPolarHBondContact O-CB 3.33Å; H95-L98 PolarHBondContact O-N 3.24Å; L98-C100 VanDerWaalsContact C-N 3.33Å; L98-C100 PolarHBondContact O-N 3.48Å; L98-M101 HydrophobicContact CD2-CE 3.54Å; L98-M101 PolarHBondContact O-N 3.35Å; L98-M101 VanDerWaalsContact O-N 3.14Å; L98-I102 WeakPolarHBondContact O-CD1 3.32Å; L98-I102 VanDerWaalsContact O-CG1 3.22Å; L98-I102 WeakPolarHBondContact O-CG1 3.29Å; L98-I102 PolarHBondContact O-N 2.83Å; L98-M195 HydrophobicContact CD1-CE 3.62Å |
| 99 | Y | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -52.8 | -49.8 | 175.9 | -179.3 | -95 | 0 | 0 | 0 | 111.8 | H95 Y96 L97 M101 I102 L103 G112 T115 V116 L168 Y189 F192 | H95-Y99 WeakPolarHBondContact O-CB 3.37Å; H95-Y99 PolarHBondContact O-N 3.49Å; Y96-Y99 WeakPolarHBondContact O-CB 3.42Å; Y96-Y99 PolarHBondContact O-N 3.41Å; L97-Y99 VanDerWaalsContact C-N 3.32Å; L97-Y99 PolarHBondContact O-N 2.96Å; Y99-M101 VanDerWaalsContact C-N 3.34Å; Y99-M101 PolarHBondContact O-N 3.23Å; Y99-I102 PolarHBondContact O-N 2.89Å; Y99-L103 HydrophobicContact CD1-CD1 3.91Å; Y99-L103 HydrophobicContact CD1-CG 4.31Å; Y99-L103 HydrophobicContact CE1-CD1 3.22Å; Y99-L103 HydrophobicContact CE1-CG 4.03Å; Y99-L103 HydrophobicContact CE2-CD1 4.29Å; Y99-L103 VanDerWaalsContact CZ-CD1 3.45Å; Y99-L103 WeakPolarHBondContact O-CB 3.49Å; Y99-L103 WeakPolarHBondContact O-CG 3.46Å; Y99-L103 PolarHBondContact O-N 3.32Å; Y99-G112 WeakPolarHBondContact CE1-O 3.43Å; Y99-G112 WeakPolarHBondContact OH-CA 3.24Å; Y99-G112 PolarHBondContact OH-O 3.02Å; Y99-T115 WeakPolarHBondContact CE1-OG1 3.13Å; Y99-T115 PolarHBondContact OH-OG1 3.45Å; Y99-V116 HydrophobicContact CD1-CG1 4.03Å; Y99-V116 HydrophobicContact CE1-CG1 3.87Å; Y99-L168 HydrophobicContact CE2-CD2 3.69Å; Y99-L168 VanDerWaalsContact OH-CD2 3.25Å; Y99-L168 WeakPolarHBondContact OH-CD2 3.4Å; Y99-Y189 AromaticContact CD2-CE2 3.64Å; Y99-Y189 HydrophobicContact CD2-CE2 3.64Å; Y99-Y189 AromaticContact CE2-CE2 3.53Å; Y99-Y189 HydrophobicContact CE2-CE2 3.53Å; Y99-Y189 AromaticContact CE2-CZ 3.97Å; Y99-Y189 WeakPolarHBondContact CE2-OH 3.09Å; Y99-F192 AromaticContact CD2-CD1 3.99Å; Y99-F192 HydrophobicContact CD2-CD1 3.99Å; Y99-F192 HydrophobicContact CD2-CD2 4.43Å; Y99-F192 AromaticContact CD2-CE1 3.47Å; Y99-F192 HydrophobicContact CD2-CE1 3.47Å; Y99-F192 VanDerWaalsContact CD2-CE1 3.47Å; Y99-F192 AromaticContact CD2-CE2 3.96Å; Y99-F192 HydrophobicContact CD2-CE2 3.96Å; Y99-F192 HydrophobicContact CD2-CG 4.45Å; Y99-F192 AromaticContact CD2-CZ 3.45Å; Y99-F192 HydrophobicContact CD2-CZ 3.45Å; Y99-F192 VanDerWaalsContact CD2-CZ 3.45Å; Y99-F192 AromaticContact CE2-CE1 4Å; Y99-F192 HydrophobicContact CE2-CE1 4Å; Y99-F192 HydrophobicContact CE2-CZ 4.21Å; Y99-F192 HydrophobicContact CG-CE1 4.47Å; Y99-F192 HydrophobicContact CG-CE2 4.23Å; Y99-F192 HydrophobicContact CG-CZ 4.06Å |
| 100 | C | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 178.6 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | A64 Y96 L97 L98 L103 L104 | A64-C100 HydrophobicContact CB-CB 3.83Å; Y96-C100 PolarHBondContact O-N 2.93Å; Y96-C100 PolarHBondContact O-SG 3.04Å; L97-C100 PolarHBondContact O-N 3.48Å; L98-C100 VanDerWaalsContact C-N 3.33Å; L98-C100 PolarHBondContact O-N 3.48Å; C100-L103 PolarHBondContact O-N 3.06Å; C100-L104 VanDerWaalsContact O-CG 3.31Å; C100-L104 WeakPolarHBondContact O-CG 3.41Å; C100-L104 PolarHBondContact O-N 3.16Å |
| 101 | M | 93.2 | Very high | 93 | Very high | 98 Ų | 98 | 34.1 Ų | 34.1 | 48% | 0.483 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.9 | -41.9 | 177.7 | -68.9 | -168.4 | -67.6 | 0 | 0 | 112.5 | L97 L98 Y99 L103 L104 S105 | L97-M101 HydrophobicContact CG-CE 4.23Å; L97-M101 WeakPolarHBondContact O-CG 3.49Å; L97-M101 PolarHBondContact O-N 2.95Å; L97-M101 VanDerWaalsContact O-N 3.09Å; L98-M101 HydrophobicContact CD2-CE 3.54Å; L98-M101 PolarHBondContact O-N 3.35Å; L98-M101 VanDerWaalsContact O-N 3.14Å; Y99-M101 VanDerWaalsContact C-N 3.34Å; Y99-M101 PolarHBondContact O-N 3.23Å; M101-L103 VanDerWaalsContact C-N 3.34Å; M101-L104 PolarHBondContact O-N 3.11Å; M101-S105 PolarHBondContact O-N 2.48Å |
| 102 | I | 92.7 | Very high | 93.2 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 172.9 | -64.2 | 159.1 | 0 | 0 | 0 | 109.5 | L98 Y99 L104 S105 V106 I188 Y189 F192 | L98-I102 WeakPolarHBondContact O-CD1 3.32Å; L98-I102 VanDerWaalsContact O-CG1 3.22Å; L98-I102 WeakPolarHBondContact O-CG1 3.29Å; L98-I102 PolarHBondContact O-N 2.83Å; Y99-I102 PolarHBondContact O-N 2.89Å; I102-L104 VanDerWaalsContact C-N 3.27Å; I102-L104 PolarHBondContact O-N 2.75Å; I102-S105 PolarHBondContact O-N 2.96Å; I102-S105 PolarHBondContact O-OG 3.43Å; I102-V106 PolarHBondContact O-N 3.42Å; I102-I188 HydrophobicContact CD1-CB 4.41Å; I102-I188 HydrophobicContact CD1-CG2 3.55Å; I102-I188 HydrophobicContact CG1-CB 4.38Å; I102-I188 HydrophobicContact CG1-CG2 3.58Å; I102-Y189 HydrophobicContact CG2-CD2 4.31Å; I102-F192 HydrophobicContact CD1-CB 4.2Å |
| 103 | L | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66 | -25.6 | -177.9 | -73.1 | -162.8 | 0 | 0 | 0 | 114.6 | Y56 L60 Y99 C100 M101 S105 V106 M109 G112 L168 | Y56-L103 WeakPolarHBondContact CE1-O 3.21Å; Y56-L103 PolarHBondContact OH-O 2.83Å; L60-L103 HydrophobicContact CD1-CB 3.57Å; L60-L103 HydrophobicContact CD2-CB 3.95Å; L60-L103 HydrophobicContact CD2-CD1 3.95Å; L60-L103 HydrophobicContact CG-CB 4.44Å; Y99-L103 HydrophobicContact CD1-CD1 3.91Å; Y99-L103 HydrophobicContact CD1-CG 4.31Å; Y99-L103 HydrophobicContact CE1-CD1 3.22Å; Y99-L103 HydrophobicContact CE1-CG 4.03Å; Y99-L103 HydrophobicContact CE2-CD1 4.29Å; Y99-L103 VanDerWaalsContact CZ-CD1 3.45Å; Y99-L103 WeakPolarHBondContact O-CB 3.49Å; Y99-L103 WeakPolarHBondContact O-CG 3.46Å; Y99-L103 PolarHBondContact O-N 3.32Å; C100-L103 PolarHBondContact O-N 3.06Å; M101-L103 VanDerWaalsContact C-N 3.34Å; L103-S105 VanDerWaalsContact C-N 3.3Å; L103-V106 HydrophobicContact CD2-CG2 3.98Å; L103-V106 WeakPolarHBondContact O-CG2 3.48Å; L103-M109 HydrophobicContact CD2-SD 4.22Å; L103-G112 WeakPolarHBondContact CD1-O 3.37Å; L103-L168 HydrophobicContact CD2-CD2 4.05Å |
| 104 | L | 93.8 | Very high | 93.6 | Very high | 54 Ų | 54 | 34.3 Ų | 34.3 | 28% | 0.283 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -72.6 | -24.2 | 172.6 | -77.4 | 167.4 | 0 | 0 | 0 | 112.5 | Q57 L60 L61 C100 M101 I102 | Q57-L104 HydrophobicContact CB-CD2 4.45Å; Q57-L104 HydrophobicContact CG-CD2 4.35Å; L60-L104 HydrophobicContact CB-CD1 4.47Å; L60-L104 HydrophobicContact CB-CD2 3.82Å; L60-L104 HydrophobicContact CB-CG 3.93Å; L60-L104 HydrophobicContact CD1-CD2 3.91Å; L60-L104 HydrophobicContact CD1-CG 3.89Å; L61-L104 HydrophobicContact CD2-CD1 3.92Å; L61-L104 HydrophobicContact CG-CD1 4.48Å; L61-L104 HydrophobicContact CG-CD2 4.49Å; C100-L104 VanDerWaalsContact O-CG 3.31Å; C100-L104 WeakPolarHBondContact O-CG 3.41Å; C100-L104 PolarHBondContact O-N 3.16Å; M101-L104 PolarHBondContact O-N 3.11Å; I102-L104 VanDerWaalsContact C-N 3.27Å; I102-L104 PolarHBondContact O-N 2.75Å |
| 105 | S | 89.2 | Confident | 93.7 | Very high | 86 Ų | 86 | 32.9 Ų | 32.9 | 60% | 0.601 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -89.4 | -6.2 | -179.8 | 75.3 | 0 | 0 | 0 | 0 | 114.6 | M101 I102 L103 | M101-S105 PolarHBondContact O-N 2.48Å; I102-S105 PolarHBondContact O-N 2.96Å; I102-S105 PolarHBondContact O-OG 3.43Å; L103-S105 VanDerWaalsContact C-N 3.3Å |
| 106 | V | 89.3 | Confident | 93.8 | Very high | 12 Ų | 12 | 33 Ų | 33 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -115.2 | 166 | -178 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | I102 L103 M109 C181 A185 | I102-V106 PolarHBondContact O-N 3.42Å; L103-V106 HydrophobicContact CD2-CG2 3.98Å; L103-V106 WeakPolarHBondContact O-CG2 3.48Å; V106-M109 HydrophobicContact CB-CE 4.09Å; V106-M109 HydrophobicContact CG2-CE 3.61Å; V106-C181 HydrophobicContact CG1-CB 4.4Å; V106-A185 HydrophobicContact CG1-CB 3.71Å |
| 107 | Q | 90 | Very high | 93.9 | Very high | 96 Ų | 96 | 33.7 Ų | 33.7 | 45% | 0.449 | 19% | 0.192 | S | C | . | . | trans | -62.7 | 147.5 | 176.7 | -78.4 | -171.4 | 1.4 | 0 | 0 | 112.1 | M109 K180 | Q107-M109 VanDerWaalsContact O-CE 3.24Å; Q107-M109 WeakPolarHBondContact O-CE 3.41Å; Q107-M109 PolarHBondContact O-N 2.98Å; Q107-K180 VanDerWaalsContact CD-O 3.31Å; Q107-K180 VanDerWaalsContact CG-O 3.24Å; Q107-K180 WeakPolarHBondContact CG-O 3.27Å | ||
| 108 | P | 92.6 | Very high | 93.9 | Very high | 53 Ų | 53 | 33.7 Ų | 33.7 | 34% | 0.344 | 19% | 0.192 | S | C | . | . | trans | -55.6 | 129.8 | 179.3 | -26.6 | 34.4 | 0 | 0 | 0 | 113.3 | F44 Y53 Y56 | F44-P108 HydrophobicContact CE2-CB 3.82Å; F44-P108 HydrophobicContact CZ-CB 3.99Å; Y53-P108 HydrophobicContact CD2-CG 3.76Å; Y53-P108 HydrophobicContact CE2-CG 4.16Å; Y56-P108 HydrophobicContact CD1-CB 3.96Å; Y56-P108 HydrophobicContact CD1-CG 3.94Å; Y56-P108 HydrophobicContact CD2-CB 3.73Å; Y56-P108 HydrophobicContact CE1-CB 4.21Å; Y56-P108 HydrophobicContact CE1-CG 4.29Å; Y56-P108 HydrophobicContact CE2-CB 4.05Å; Y56-P108 HydrophobicContact CG-CB 3.71Å; Y56-P108 HydrophobicContact CG-CG 4.1Å | ||
| 109 | M | 91.1 | Very high | 94 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 6% | 0.064 | 19% | 0.187 | C | C | . | . | trans | -139.8 | 129.4 | -179.6 | 59.1 | -172.7 | 77.8 | 0 | 0 | 111.8 | L103 V106 Q107 L111 G112 L113 L168 I172 L175 | L103-M109 HydrophobicContact CD2-SD 4.22Å; V106-M109 HydrophobicContact CB-CE 4.09Å; V106-M109 HydrophobicContact CG2-CE 3.61Å; Q107-M109 VanDerWaalsContact O-CE 3.24Å; Q107-M109 WeakPolarHBondContact O-CE 3.41Å; Q107-M109 PolarHBondContact O-N 2.98Å; M109-L111 VanDerWaalsContact C-N 3.35Å; M109-L111 PolarHBondContact O-N 3.19Å; M109-G112 PolarHBondContact O-N 3.44Å; M109-G112 VanDerWaalsContact O-N 3.12Å; M109-L113 PolarHBondContact O-N 3.2Å; M109-L168 HydrophobicContact CG-CD1 4.32Å; M109-L168 HydrophobicContact SD-CD1 3.49Å; M109-L168 WeakPolarHBondContact SD-CD1 3.47Å; M109-L168 HydrophobicContact SD-CG 4.27Å; M109-I172 HydrophobicContact CE-CG1 4.32Å; M109-I172 HydrophobicContact SD-CG1 4.26Å; M109-L175 HydrophobicContact CE-CD1 3.54Å; M109-L175 HydrophobicContact SD-CD1 4.4Å | ||
| 110 | T | 93.7 | Very high | 94.1 | Very high | 84 Ų | 84 | 33.1 Ų | 33.1 | 52% | 0.515 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.1 | -40.8 | -177.7 | -47 | 0 | 0 | 0 | 0 | 112.4 | V45 G112 L113 A114 | V45-T110 HydrophobicContact CG2-CG2 4.13Å; T110-G112 PolarHBondContact O-N 3.19Å; T110-L113 PolarHBondContact O-N 3.14Å; T110-L113 VanDerWaalsContact O-N 3.11Å; T110-A114 PolarHBondContact O-N 3.06Å |
| 111 | L | 95.5 | Very high | 94.1 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 28% | 0.277 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.9 | -33.7 | 177.4 | -172.9 | 65.3 | 0 | 0 | 0 | 111.8 | M109 L113 A114 C164 F167 L168 V171 | M109-L111 VanDerWaalsContact C-N 3.35Å; M109-L111 PolarHBondContact O-N 3.19Å; L111-L113 VanDerWaalsContact C-N 3.35Å; L111-A114 WeakPolarHBondContact O-CB 3.27Å; L111-A114 PolarHBondContact O-N 3.23Å; L111-C164 HydrophobicContact CD1-CB 3.92Å; L111-F167 HydrophobicContact CD2-CB 4.17Å; L111-L168 HydrophobicContact CB-CD1 3.95Å; L111-L168 HydrophobicContact CD2-CB 4.38Å; L111-L168 HydrophobicContact CD2-CD1 3.92Å; L111-L168 HydrophobicContact CG-CD1 3.91Å; L111-V171 HydrophobicContact CD2-CG2 3.96Å |
| 112 | G | 93.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.3 | -37.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y99 L103 M109 T110 T115 | Y99-G112 WeakPolarHBondContact CE1-O 3.43Å; Y99-G112 WeakPolarHBondContact OH-CA 3.24Å; Y99-G112 PolarHBondContact OH-O 3.02Å; L103-G112 WeakPolarHBondContact CD1-O 3.37Å; M109-G112 PolarHBondContact O-N 3.44Å; M109-G112 VanDerWaalsContact O-N 3.12Å; T110-G112 PolarHBondContact O-N 3.19Å; G112-T115 PolarHBondContact O-OG1 3.25Å |
| 113 | L | 96.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -76.5 | -26.3 | 175.5 | -64.6 | -166.8 | 0 | 0 | 0 | 113.5 | F44 Y56 T59 L60 M109 T110 L111 T115 V116 V117 | F44-L113 HydrophobicContact CB-CD1 3.89Å; F44-L113 HydrophobicContact CD1-CD1 3.45Å; F44-L113 VanDerWaalsContact CD1-CD1 3.45Å; F44-L113 HydrophobicContact CD1-CG 4.45Å; F44-L113 HydrophobicContact CD2-CD1 4.43Å; F44-L113 HydrophobicContact CE1-CD1 4.05Å; F44-L113 HydrophobicContact CG-CD1 3.65Å; Y56-L113 HydrophobicContact CD2-CD1 3.72Å; Y56-L113 HydrophobicContact CD2-CD2 3.68Å; Y56-L113 HydrophobicContact CD2-CG 3.67Å; Y56-L113 HydrophobicContact CE2-CD1 4.3Å; Y56-L113 HydrophobicContact CE2-CD2 3.6Å; Y56-L113 HydrophobicContact CE2-CG 3.73Å; T59-L113 HydrophobicContact CG2-CD1 4.21Å; T59-L113 HydrophobicContact CG2-CD2 3.89Å; L60-L113 HydrophobicContact CD2-CD2 3.67Å; L60-L113 HydrophobicContact CG-CD2 3.84Å; M109-L113 PolarHBondContact O-N 3.2Å; T110-L113 PolarHBondContact O-N 3.14Å; T110-L113 VanDerWaalsContact O-N 3.11Å; L111-L113 VanDerWaalsContact C-N 3.35Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 2.91Å; L113-V116 HydrophobicContact CD2-CG2 4.3Å; L113-V116 WeakPolarHBondContact O-CG2 3.24Å; L113-V116 PolarHBondContact O-N 2.73Å; L113-V117 WeakPolarHBondContact O-CB 3.42Å; L113-V117 WeakPolarHBondContact O-CG2 3.44Å; L113-V117 PolarHBondContact O-N 2.98Å |
| 114 | A | 95.9 | Very high | 94.4 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 25% | 0.248 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.1 | -44.8 | -175 | 0 | 0 | 0 | 0 | 0 | 111.9 | T110 L111 L118 | T110-A114 PolarHBondContact O-N 3.06Å; L111-A114 WeakPolarHBondContact O-CB 3.27Å; L111-A114 PolarHBondContact O-N 3.23Å; A114-L118 VanDerWaalsContact O-CB 3.3Å; A114-L118 WeakPolarHBondContact O-CB 3.11Å; A114-L118 WeakPolarHBondContact O-CD1 3.21Å; A114-L118 WeakPolarHBondContact O-CG 3.07Å; A114-L118 PolarHBondContact O-N 2.82Å |
| 115 | T | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -53.7 | 179.5 | 58.6 | 0 | 0 | 0 | 0 | 111.7 | Y99 G112 L113 V117 L118 F119 C164 E165 | Y99-T115 WeakPolarHBondContact CE1-OG1 3.13Å; Y99-T115 PolarHBondContact OH-OG1 3.45Å; G112-T115 PolarHBondContact O-OG1 3.25Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 2.91Å; T115-V117 VanDerWaalsContact C-N 3.33Å; T115-V117 PolarHBondContact O-N 3.5Å; T115-L118 PolarHBondContact O-N 2.71Å; T115-F119 WeakPolarHBondContact O-CD2 3.41Å; T115-F119 PolarHBondContact O-N 3.41Å; T115-C164 HydrophobicContact CG2-CB 3.5Å; T115-C164 VanDerWaalsContact CG2-CB 3.5Å; T115-E165 HydrophobicContact CG2-CG 3.78Å |
| 116 | V | 96.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 4% | 0.036 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.7 | -35.9 | -177.1 | -66 | 0 | 0 | 0 | 0 | 112.1 | T59 L60 A63 Y99 L113 A120 | T59-V116 HydrophobicContact CG2-CG2 4.27Å; L60-V116 HydrophobicContact CD2-CG2 4.5Å; A63-V116 HydrophobicContact CB-CB 3.96Å; A63-V116 HydrophobicContact CB-CG1 4Å; A63-V116 HydrophobicContact CB-CG2 4.48Å; Y99-V116 HydrophobicContact CD1-CG1 4.03Å; Y99-V116 HydrophobicContact CE1-CG1 3.87Å; L113-V116 HydrophobicContact CD2-CG2 4.3Å; L113-V116 WeakPolarHBondContact O-CG2 3.24Å; L113-V116 PolarHBondContact O-N 2.73Å; V116-A120 WeakPolarHBondContact O-CB 3.36Å; V116-A120 PolarHBondContact O-N 3.15Å |
| 117 | V | 97.4 | Very high | 95 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 18% | 0.176 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.2 | -42.2 | 176.2 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | T59 L113 T115 A120 L121 | T59-V117 HydrophobicContact CG2-CG2 4.27Å; L113-V117 WeakPolarHBondContact O-CB 3.42Å; L113-V117 WeakPolarHBondContact O-CG2 3.44Å; L113-V117 PolarHBondContact O-N 2.98Å; T115-V117 VanDerWaalsContact C-N 3.33Å; T115-V117 PolarHBondContact O-N 3.5Å; V117-A120 PolarHBondContact O-N 3.07Å; V117-L121 VanDerWaalsContact O-CB 3.28Å; V117-L121 WeakPolarHBondContact O-CB 3.43Å; V117-L121 PolarHBondContact O-N 3.44Å |
| 118 | L | 96.3 | Very high | 95.2 | Very high | 33 Ų | 33 | 33.4 Ų | 33.4 | 17% | 0.173 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 176.4 | -73.5 | 168.9 | 0 | 0 | 0 | 111.6 | A114 T115 L122 I157 L160 A161 | A114-L118 VanDerWaalsContact O-CB 3.3Å; A114-L118 WeakPolarHBondContact O-CB 3.11Å; A114-L118 WeakPolarHBondContact O-CD1 3.21Å; A114-L118 WeakPolarHBondContact O-CG 3.07Å; A114-L118 PolarHBondContact O-N 2.82Å; T115-L118 PolarHBondContact O-N 2.71Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 PolarHBondContact O-N 3.31Å; L118-I157 HydrophobicContact CB-CG2 4.18Å; L118-I157 HydrophobicContact CD2-CG2 4.23Å; L118-L160 HydrophobicContact CD1-CB 4.35Å; L118-L160 HydrophobicContact CD1-CD2 3.82Å; L118-L160 HydrophobicContact CD1-CG 3.85Å; L118-L160 HydrophobicContact CD2-CD2 4.13Å; L118-A161 HydrophobicContact CB-CB 4.48Å; L118-A161 HydrophobicContact CD1-CB 4.21Å |
| 119 | F | 95.3 | Very high | 95.3 | Very high | 27 Ų | 27 | 31 Ų | 31 | 12% | 0.118 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.8 | -42.9 | 175.4 | -75.1 | -62.5 | 0 | 0 | 0 | 112.4 | Y96 T115 L122 H123 L158 A161 | Y96-F119 AromaticContact CE1-CD2 3.92Å; Y96-F119 HydrophobicContact CE1-CD2 3.92Å; Y96-F119 AromaticContact CE1-CE2 3.53Å; Y96-F119 HydrophobicContact CE1-CE2 3.53Å; Y96-F119 HydrophobicContact CE1-CZ 4.4Å; Y96-F119 HydrophobicContact CE2-CE2 4.19Å; Y96-F119 HydrophobicContact CE2-CZ 4.39Å; Y96-F119 AromaticContact CZ-CD2 3.93Å; Y96-F119 AromaticContact CZ-CE2 3.29Å; Y96-F119 AromaticContact CZ-CZ 3.72Å; Y96-F119 WeakPolarHBondContact OH-CE2 3.4Å; Y96-F119 WeakPolarHBondContact OH-CZ 3.32Å; T115-F119 WeakPolarHBondContact O-CD2 3.41Å; T115-F119 PolarHBondContact O-N 3.41Å; F119-L122 PolarHBondContact O-N 3.12Å; F119-H123 WeakPolarHBondContact O-CB 3.35Å; F119-H123 PolarHBondContact O-CD2 2.9Å; F119-H123 PolarHBondContact O-N 3.35Å; F119-L158 HydrophobicContact CD1-CD2 4.15Å; F119-L158 HydrophobicContact CE1-CD2 3.51Å; F119-L158 HydrophobicContact CZ-CD2 4.45Å; F119-A161 HydrophobicContact CD2-CB 4.39Å; F119-A161 HydrophobicContact CE1-CB 4.45Å; F119-A161 HydrophobicContact CE2-CB 3.65Å; F119-A161 HydrophobicContact CZ-CB 3.68Å |
| 120 | A | 97.4 | Very high | 95.4 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 5% | 0.05 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R34 T37 I38 V116 V117 H123 W124 | R34-A120 HydrophobicContact CB-CB 4.11Å; R34-A120 HydrophobicContact CG-CB 4.22Å; T37-A120 HydrophobicContact CG2-CB 3.91Å; I38-A120 HydrophobicContact CD1-CB 4.36Å; I38-A120 HydrophobicContact CG1-CB 3.85Å; V116-A120 WeakPolarHBondContact O-CB 3.36Å; V116-A120 PolarHBondContact O-N 3.15Å; V117-A120 PolarHBondContact O-N 3.07Å; A120-H123 PolarHBondContact O-N 3.33Å; A120-W124 WeakPolarHBondContact O-CB 3.46Å; A120-W124 PolarHBondContact O-N 3.48Å |
| 121 | L | 96.9 | Very high | 95.3 | Very high | 77 Ų | 77 | 32.8 Ų | 32.8 | 40% | 0.403 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.2 | -51 | 178.7 | -176.1 | 64.2 | 0 | 0 | 0 | 111.6 | I38 V117 H123 W124 C125 | I38-L121 HydrophobicContact CD1-CB 4.35Å; I38-L121 HydrophobicContact CD1-CD1 4.22Å; I38-L121 HydrophobicContact CG1-CB 4.47Å; V117-L121 VanDerWaalsContact O-CB 3.28Å; V117-L121 WeakPolarHBondContact O-CB 3.43Å; V117-L121 PolarHBondContact O-N 3.44Å; L121-H123 VanDerWaalsContact C-N 3.34Å; L121-H123 PolarHBondContact O-N 3.32Å; L121-W124 PolarHBondContact O-N 3.03Å; L121-C125 WeakPolarHBondContact O-CB 3.09Å; L121-C125 PolarHBondContact O-N 3.11Å; L121-C125 PolarHBondContact O-SG 3.32Å |
| 122 | L | 95.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -48.8 | 179.8 | 180 | 64.6 | 0 | 0 | 0 | 111.5 | L118 F119 N126 I150 M154 I157 L158 | L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 PolarHBondContact O-N 3.31Å; F119-L122 PolarHBondContact O-N 3.12Å; L122-N126 PolarHBondContact O-N 3.41Å; L122-N126 VanDerWaalsContact O-N 3.08Å; L122-N126 PolarHBondContact O-ND2 3.24Å; L122-I150 HydrophobicContact CD1-CG2 4.02Å; L122-M154 HydrophobicContact CD1-CB 4.3Å; L122-M154 HydrophobicContact CD1-CG 4.17Å; L122-M154 HydrophobicContact CD2-CG 4.16Å; L122-I157 HydrophobicContact CB-CG2 4.34Å; L122-I157 HydrophobicContact CD1-CD1 4.35Å; L122-I157 HydrophobicContact CD2-CG2 4.41Å; L122-L158 HydrophobicContact CD2-CD2 3.75Å; L122-L158 HydrophobicContact CD2-CG 4.04Å |
| 123 | H | 94.6 | Very high | 95.1 | Very high | 72 Ų | 72 | 36.2 Ų | 36.2 | 33% | 0.333 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -74.7 | -29.4 | -178.5 | -73 | -56.9 | 0 | 0 | 0 | 113.5 | R34 F119 A120 L121 F127 | R34-H123 VanDerWaalsContact NE-CB 3.3Å; F119-H123 WeakPolarHBondContact O-CB 3.35Å; F119-H123 PolarHBondContact O-CD2 2.9Å; F119-H123 PolarHBondContact O-N 3.35Å; A120-H123 PolarHBondContact O-N 3.33Å; L121-H123 VanDerWaalsContact C-N 3.34Å; L121-H123 PolarHBondContact O-N 3.32Å; H123-F127 PolarHBondContact O-N 2.89Å; H123-F127 VanDerWaalsContact O-N 3.13Å |
| 124 | W | 97 | Very high | 94.8 | Very high | 70 Ų | 70 | 38.3 Ų | 38.3 | 27% | 0.265 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66 | -47.7 | 174 | -172.7 | 94.9 | 0 | 0 | 0 | 110.7 | W31 R34 I38 A120 L121 F127 F128 | W31-W124 AromaticContact CD1-CD1 3.54Å; W31-W124 AromaticContact CD1-CG 3.92Å; W31-W124 AromaticContact CD1-NE1 3.82Å; W31-W124 AromaticContact CD2-NE1 3.98Å; W31-W124 AromaticContact CE2-CD1 3.88Å; W31-W124 AromaticContact CE2-CE2 3.63Å; W31-W124 AromaticContact CE2-CZ2 3.99Å; W31-W124 AromaticContact CE2-NE1 3.3Å; W31-W124 VanDerWaalsContact CE2-NE1 3.3Å; W31-W124 HydrophobicContact CH2-CZ2 4.36Å; W31-W124 AromaticContact CZ2-CE2 3.6Å; W31-W124 HydrophobicContact CZ2-CH2 4.39Å; W31-W124 AromaticContact CZ2-CZ2 3.46Å; W31-W124 HydrophobicContact CZ2-CZ2 3.46Å; W31-W124 VanDerWaalsContact CZ2-CZ2 3.46Å; W31-W124 AromaticContact CZ2-NE1 3.56Å; W31-W124 AromaticContact NE1-CD1 3.37Å; W31-W124 AromaticContact NE1-CD2 3.69Å; W31-W124 AromaticContact NE1-CE2 3.43Å; W31-W124 AromaticContact NE1-CG 3.66Å; W31-W124 AromaticContact NE1-NE1 3.22Å; W31-W124 PolarHBondContact NE1-O 3.46Å; R34-W124 HydrophobicContact CB-CB 4.29Å; I38-W124 HydrophobicContact CD1-CB 3.73Å; I38-W124 HydrophobicContact CD1-CD2 4.48Å; I38-W124 HydrophobicContact CD1-CG 3.87Å; A120-W124 WeakPolarHBondContact O-CB 3.46Å; A120-W124 PolarHBondContact O-N 3.48Å; L121-W124 PolarHBondContact O-N 3.03Å; W124-F127 PolarHBondContact O-N 3.26Å; W124-F128 HydrophobicContact CE3-CB 4.35Å; W124-F128 HydrophobicContact CH2-CD2 4.14Å; W124-F128 HydrophobicContact CH2-CG 4.33Å; W124-F128 HydrophobicContact CZ3-CB 4.14Å; W124-F128 HydrophobicContact CZ3-CD2 4.46Å; W124-F128 HydrophobicContact CZ3-CG 4.19Å; W124-F128 WeakPolarHBondContact O-CB 3.35Å; W124-F128 PolarHBondContact O-N 3.34Å |
| 125 | C | 96.4 | Very high | 94.6 | Very high | 23 Ų | 23 | 39.6 Ų | 39.6 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.6 | -41 | 177.9 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | L121 F127 F128 V129 T146 I150 | L121-C125 WeakPolarHBondContact O-CB 3.09Å; L121-C125 PolarHBondContact O-N 3.11Å; L121-C125 PolarHBondContact O-SG 3.32Å; C125-F127 PolarHBondContact O-N 3.26Å; C125-F128 WeakPolarHBondContact O-CB 3.44Å; C125-F128 PolarHBondContact O-N 3.45Å; C125-V129 WeakPolarHBondContact O-CG2 2.99Å; C125-V129 PolarHBondContact O-N 2.77Å; C125-T146 HydrophobicContact CB-CG2 3.99Å; C125-I150 HydrophobicContact CB-CD1 3.6Å; C125-I150 HydrophobicContact CB-CG1 4.03Å |
| 126 | N | 94.3 | Very high | 94.4 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.8 | -47.3 | 176.2 | -87.9 | -73 | 0 | 0 | 0 | 111.9 | L122 F128 V129 N130 | L122-N126 PolarHBondContact O-N 3.41Å; L122-N126 VanDerWaalsContact O-N 3.08Å; L122-N126 PolarHBondContact O-ND2 3.24Å; N126-F128 VanDerWaalsContact C-N 3.34Å; N126-V129 PolarHBondContact O-N 2.93Å; N126-N130 VanDerWaalsContact O-CG 3.28Å; N126-N130 PolarHBondContact O-N 2.91Å; N126-N130 VanDerWaalsContact O-N 3.1Å; N126-N130 PolarHBondContact O-OD1 2.98Å |
| 127 | F | 93.7 | Very high | 94.2 | Very high | 27 Ų | 27 | 52.3 Ų | 52.3 | 12% | 0.118 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 177.6 | -175.2 | -86.1 | 0 | 0 | 0 | 111.7 | L22 N27 W31 H123 W124 C125 V129 N130 L131 | L22-F127 HydrophobicContact CD2-CE2 4.35Å; L22-F127 HydrophobicContact CD2-CZ 4.19Å; N27-F127 HydrophobicContact CB-CE2 3.83Å; W31-F127 HydrophobicContact CB-CD1 3.61Å; W31-F127 HydrophobicContact CB-CE1 3.85Å; W31-F127 HydrophobicContact CB-CG 3.98Å; W31-F127 HydrophobicContact CB-CZ 4.43Å; W31-F127 AromaticContact CD1-CD1 3.26Å; W31-F127 AromaticContact CD1-CG 3.72Å; W31-F127 AromaticContact CD2-CD1 3.93Å; W31-F127 HydrophobicContact CD2-CD1 3.93Å; W31-F127 HydrophobicContact CD2-CE1 4.15Å; W31-F127 HydrophobicContact CG-CB 4.32Å; W31-F127 AromaticContact CG-CD1 3.28Å; W31-F127 HydrophobicContact CG-CD1 3.28Å; W31-F127 AromaticContact CG-CE1 3.76Å; W31-F127 HydrophobicContact CG-CE1 3.76Å; W31-F127 AromaticContact CG-CG 3.96Å; W31-F127 HydrophobicContact CG-CG 3.96Å; W31-F127 AromaticContact NE1-CD1 3.76Å; H123-F127 PolarHBondContact O-N 2.89Å; H123-F127 VanDerWaalsContact O-N 3.13Å; W124-F127 PolarHBondContact O-N 3.26Å; C125-F127 PolarHBondContact O-N 3.26Å; F127-V129 PolarHBondContact O-N 3.37Å; F127-N130 PolarHBondContact O-N 3.28Å; F127-L131 HydrophobicContact CE1-CB 4.42Å; F127-L131 HydrophobicContact CE1-CD2 4.45Å; F127-L131 WeakPolarHBondContact O-CB 3.28Å; F127-L131 PolarHBondContact O-N 2.79Å |
| 128 | F | 94.4 | Very high | 93.9 | Very high | 39 Ų | 39 | 51.9 Ų | 51.9 | 17% | 0.171 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 175.5 | 176.4 | -100.2 | 0 | 0 | 0 | 112 | W124 C125 N126 L131 M132 L142 | W124-F128 HydrophobicContact CE3-CB 4.35Å; W124-F128 HydrophobicContact CH2-CD2 4.14Å; W124-F128 HydrophobicContact CH2-CG 4.33Å; W124-F128 HydrophobicContact CZ3-CB 4.14Å; W124-F128 HydrophobicContact CZ3-CD2 4.46Å; W124-F128 HydrophobicContact CZ3-CG 4.19Å; W124-F128 WeakPolarHBondContact O-CB 3.35Å; W124-F128 PolarHBondContact O-N 3.34Å; C125-F128 WeakPolarHBondContact O-CB 3.44Å; C125-F128 PolarHBondContact O-N 3.45Å; N126-F128 VanDerWaalsContact C-N 3.34Å; F128-L131 PolarHBondContact O-N 2.66Å; F128-M132 HydrophobicContact CD1-CG 4.33Å; F128-M132 HydrophobicContact CD2-CG 4.47Å; F128-M132 HydrophobicContact CE1-CG 3.93Å; F128-M132 HydrophobicContact CE2-CG 4.07Å; F128-M132 HydrophobicContact CE2-SD 4.31Å; F128-M132 HydrophobicContact CZ-CG 3.78Å; F128-M132 HydrophobicContact CZ-SD 4.1Å; F128-M132 WeakPolarHBondContact O-CB 3.43Å; F128-M132 VanDerWaalsContact O-CG 3.29Å; F128-M132 WeakPolarHBondContact O-CG 3.45Å; F128-M132 PolarHBondContact O-N 3.01Å; F128-L142 HydrophobicContact CE1-CD2 4.18Å; F128-L142 HydrophobicContact CE1-CG 4.35Å; F128-L142 HydrophobicContact CZ-CD2 3.96Å |
| 129 | V | 95 | Very high | 93.7 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 175 | 168.3 | 0 | 0 | 0 | 0 | 111 | C125 N126 F127 L131 M132 Q133 T146 D147 I150 | C125-V129 WeakPolarHBondContact O-CG2 2.99Å; C125-V129 PolarHBondContact O-N 2.77Å; N126-V129 PolarHBondContact O-N 2.93Å; F127-V129 PolarHBondContact O-N 3.37Å; V129-L131 VanDerWaalsContact C-N 3.3Å; V129-L131 PolarHBondContact O-N 3.29Å; V129-M132 PolarHBondContact O-N 3.4Å; V129-Q133 HydrophobicContact CG1-CG 4.44Å; V129-Q133 WeakPolarHBondContact O-CB 3.05Å; V129-Q133 WeakPolarHBondContact O-CG 3.22Å; V129-Q133 PolarHBondContact O-N 3.01Å; V129-T146 HydrophobicContact CG2-CG2 3.73Å; V129-D147 HydrophobicContact CG1-CB 3.83Å; V129-D147 HydrophobicContact CG2-CB 4.13Å; V129-I150 HydrophobicContact CG2-CD1 4.11Å |
| 130 | N | 92.4 | Very high | 93.7 | Very high | 73 Ų | 73 | 57.1 Ų | 57.1 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 178.9 | -66.8 | -10.2 | 0 | 0 | 0 | 111.9 | N126 F127 Q133 A134 | N126-N130 VanDerWaalsContact O-CG 3.28Å; N126-N130 PolarHBondContact O-N 2.91Å; N126-N130 VanDerWaalsContact O-N 3.1Å; N126-N130 PolarHBondContact O-OD1 2.98Å; F127-N130 PolarHBondContact O-N 3.28Å; N130-Q133 PolarHBondContact O-N 2.94Å; N130-A134 WeakPolarHBondContact O-CB 3.15Å; N130-A134 PolarHBondContact O-N 3.45Å |
| 131 | L | 91.1 | Very high | 93.6 | Very high | 61 Ų | 61 | 60.6 Ų | 60.6 | 32% | 0.319 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 176.2 | -177.8 | 66.1 | 0 | 0 | 0 | 111 | L22 F127 F128 V129 Q133 A134 S135 | L22-L131 HydrophobicContact CD2-CB 4.37Å; L22-L131 HydrophobicContact CD2-CD1 4Å; F127-L131 HydrophobicContact CE1-CB 4.42Å; F127-L131 HydrophobicContact CE1-CD2 4.45Å; F127-L131 WeakPolarHBondContact O-CB 3.28Å; F127-L131 PolarHBondContact O-N 2.79Å; F128-L131 PolarHBondContact O-N 2.66Å; V129-L131 VanDerWaalsContact C-N 3.3Å; V129-L131 PolarHBondContact O-N 3.29Å; L131-Q133 VanDerWaalsContact C-N 3.32Å; L131-Q133 PolarHBondContact O-N 3.45Å; L131-A134 PolarHBondContact O-N 3.49Å; L131-S135 WeakPolarHBondContact O-CB 3.45Å; L131-S135 PolarHBondContact O-N 3.29Å; L131-S135 PolarHBondContact O-OG 2.93Å |
| 132 | M | 92.5 | Very high | 93.5 | Very high | 35 Ų | 35 | 62 Ų | 62 | 17% | 0.172 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 178 | -72.2 | -67.4 | -75.8 | 0 | 0 | 111.9 | F128 V129 S135 H136 F137 G138 T140 C143 | F128-M132 HydrophobicContact CD1-CG 4.33Å; F128-M132 HydrophobicContact CD2-CG 4.47Å; F128-M132 HydrophobicContact CE1-CG 3.93Å; F128-M132 HydrophobicContact CE2-CG 4.07Å; F128-M132 HydrophobicContact CE2-SD 4.31Å; F128-M132 HydrophobicContact CZ-CG 3.78Å; F128-M132 HydrophobicContact CZ-SD 4.1Å; F128-M132 WeakPolarHBondContact O-CB 3.43Å; F128-M132 VanDerWaalsContact O-CG 3.29Å; F128-M132 WeakPolarHBondContact O-CG 3.45Å; F128-M132 PolarHBondContact O-N 3.01Å; V129-M132 PolarHBondContact O-N 3.4Å; M132-S135 PolarHBondContact O-N 3.31Å; M132-H136 PolarHBondContact O-N 2.68Å; M132-F137 HydrophobicContact CE-CB 3.45Å; M132-F137 VanDerWaalsContact CE-CB 3.45Å; M132-F137 HydrophobicContact CE-CG 4.32Å; M132-F137 CarbonylContact O-C 3.27Å; M132-F137 VanDerWaalsContact O-C 3.27Å; M132-F137 WeakPolarHBondContact O-CA 3.39Å; M132-F137 PolarHBondContact O-N 3.45Å; M132-F137 HydrophobicContact SD-CB 4.01Å; M132-G138 PolarHBondContact O-N 3.49Å; M132-T140 HydrophobicContact CE-CG2 4.32Å; M132-T140 WeakPolarHBondContact CE-OG1 3.03Å; M132-C143 HydrophobicContact CB-CB 4.09Å |
| 133 | Q | 93.3 | Very high | 93.5 | Very high | 90 Ų | 90 | 61.7 Ų | 61.7 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176 | -72.6 | 175.7 | -4.2 | 0 | 0 | 112 | V129 N130 L131 H136 | V129-Q133 HydrophobicContact CG1-CG 4.44Å; V129-Q133 WeakPolarHBondContact O-CB 3.05Å; V129-Q133 WeakPolarHBondContact O-CG 3.22Å; V129-Q133 PolarHBondContact O-N 3.01Å; N130-Q133 PolarHBondContact O-N 2.94Å; L131-Q133 VanDerWaalsContact C-N 3.32Å; L131-Q133 PolarHBondContact O-N 3.45Å; Q133-H136 PolarHBondContact O-N 3.37Å |
| 134 | A | 90.6 | Very high | 93.5 | Very high | 48 Ų | 48 | 63.3 Ų | 63.3 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69 | -32.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L22 N130 L131 H136 | L22-A134 HydrophobicContact CD1-CB 3.42Å; L22-A134 VanDerWaalsContact CD1-CB 3.42Å; N130-A134 WeakPolarHBondContact O-CB 3.15Å; N130-A134 PolarHBondContact O-N 3.45Å; L131-A134 PolarHBondContact O-N 3.49Å; A134-H136 PolarHBondContact O-N 3.36Å |
| 135 | S | 90.4 | Very high | 93.5 | Very high | 57 Ų | 57 | 62.8 Ų | 62.8 | 40% | 0.399 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 15.8 | 174.2 | -58 | 0 | 0 | 0 | 0 | 113.6 | L131 M132 F137 | L131-S135 WeakPolarHBondContact O-CB 3.45Å; L131-S135 PolarHBondContact O-N 3.29Å; L131-S135 PolarHBondContact O-OG 2.93Å; M132-S135 PolarHBondContact O-N 3.31Å; S135-F137 WeakPolarHBondContact O-CD2 3.49Å; S135-F137 PolarHBondContact O-N 2.85Å |
| 136 | H | 90.1 | Very high | 93.5 | Very high | 162 Ų | 162 | 63 Ų | 63 | 75% | 0.75 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 5.8 | -176.8 | -54.6 | -75 | 0 | 0 | 0 | 116 | M132 Q133 A134 G138 H139 | M132-H136 PolarHBondContact O-N 2.68Å; Q133-H136 PolarHBondContact O-N 3.37Å; A134-H136 PolarHBondContact O-N 3.36Å; H136-G138 VanDerWaalsContact C-N 3.27Å; H136-G138 PolarHBondContact O-N 3.14Å; H136-H139 PolarHBondContact O-CE1 2.93Å; H136-H139 VanDerWaalsContact O-CE1 3.23Å; H136-H139 PolarHBondContact O-ND1 2.86Å |
| 137 | F | 93.2 | Very high | 93.5 | Very high | 112 Ų | 112 | 62.1 Ų | 62.1 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -88.1 | 13.2 | 173.3 | -63.4 | -71.1 | 0 | 0 | 0 | 113.4 | M132 S135 H139 T140 | M132-F137 HydrophobicContact CE-CB 3.45Å; M132-F137 VanDerWaalsContact CE-CB 3.45Å; M132-F137 HydrophobicContact CE-CG 4.32Å; M132-F137 CarbonylContact O-C 3.27Å; M132-F137 VanDerWaalsContact O-C 3.27Å; M132-F137 WeakPolarHBondContact O-CA 3.39Å; M132-F137 PolarHBondContact O-N 3.45Å; M132-F137 HydrophobicContact SD-CB 4.01Å; S135-F137 WeakPolarHBondContact O-CD2 3.49Å; S135-F137 PolarHBondContact O-N 2.85Å; F137-H139 PolarHBondContact O-N 3.38Å; F137-H139 VanDerWaalsContact O-N 3.15Å; F137-T140 HydrophobicContact CB-CG2 4.05Å; F137-T140 HydrophobicContact CD1-CG2 4.28Å; F137-T140 WeakPolarHBondContact O-CB 3.4Å; F137-T140 VanDerWaalsContact O-CG2 3.32Å; F137-T140 WeakPolarHBondContact O-CG2 3.4Å; F137-T140 PolarHBondContact O-N 3.44Å; F137-T140 PolarHBondContact O-OG1 3.14Å |
| 138 | G | 90.5 | Very high | 93.7 | Very high | 20 Ų | 20 | 65 Ų | 65 | 21% | 0.206 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -61.4 | -22.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | M132 H136 T140 | M132-G138 PolarHBondContact O-N 3.49Å; H136-G138 VanDerWaalsContact C-N 3.27Å; H136-G138 PolarHBondContact O-N 3.14Å; G138-T140 VanDerWaalsContact C-N 3.31Å |
| 139 | H | 92.4 | Very high | 93.7 | Very high | 133 Ų | 133 | 68.6 Ų | 68.6 | 62% | 0.616 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -79.8 | -10.9 | 177.4 | 65.8 | -86 | 0 | 0 | 0 | 113.5 | H136 F137 | H136-H139 PolarHBondContact O-CE1 2.93Å; H136-H139 VanDerWaalsContact O-CE1 3.23Å; H136-H139 PolarHBondContact O-ND1 2.86Å; F137-H139 PolarHBondContact O-N 3.38Å; F137-H139 VanDerWaalsContact O-N 3.15Å |
| 140 | T | 95.6 | Very high | 93.7 | Very high | 37 Ų | 37 | 68.8 Ų | 68.8 | 23% | 0.227 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -64.4 | 141.7 | 179.8 | 59.4 | 0 | 0 | 0 | 0 | 111 | M132 F137 G138 L142 C143 Q144 | M132-T140 HydrophobicContact CE-CG2 4.32Å; M132-T140 WeakPolarHBondContact CE-OG1 3.03Å; F137-T140 HydrophobicContact CB-CG2 4.05Å; F137-T140 HydrophobicContact CD1-CG2 4.28Å; F137-T140 WeakPolarHBondContact O-CB 3.4Å; F137-T140 VanDerWaalsContact O-CG2 3.32Å; F137-T140 WeakPolarHBondContact O-CG2 3.4Å; F137-T140 PolarHBondContact O-N 3.44Å; F137-T140 PolarHBondContact O-OG1 3.14Å; G138-T140 VanDerWaalsContact C-N 3.31Å; T140-L142 PolarHBondContact O-N 3.48Å; T140-C143 PolarHBondContact O-N 3.08Å; T140-C143 WeakPolarHBondContact OG1-CB 3.2Å; T140-C143 PolarHBondContact OG1-N 3.18Å; T140-Q144 PolarHBondContact O-N 3.18Å; T140-Q144 VanDerWaalsContact O-N 3.07Å |
| 141 | A | 95.3 | Very high | 93.8 | Very high | 78 Ų | 78 | 72.3 Ų | 72.3 | 65% | 0.645 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -55.9 | -37.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q144 A145 | A141-Q144 PolarHBondContact O-N 3.35Å; A141-A145 WeakPolarHBondContact O-CB 3.04Å; A141-A145 PolarHBondContact O-N 3.3Å |
| 142 | L | 94.9 | Very high | 94 | Very high | 107 Ų | 107 | 76.8 Ų | 76.8 | 56% | 0.56 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.6 | -45.9 | 176.1 | -177.9 | 67.1 | 0 | 0 | 0 | 112 | F128 T140 T146 | F128-L142 HydrophobicContact CE1-CD2 4.18Å; F128-L142 HydrophobicContact CE1-CG 4.35Å; F128-L142 HydrophobicContact CZ-CD2 3.96Å; T140-L142 PolarHBondContact O-N 3.48Å; L142-T146 VanDerWaalsContact O-CB 3.32Å; L142-T146 WeakPolarHBondContact O-CB 3.37Å; L142-T146 PolarHBondContact O-N 3.29Å; L142-T146 PolarHBondContact O-OG1 2.99Å |
| 143 | C | 95.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.007 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 179.3 | -175.7 | 0 | 0 | 0 | 0 | 111 | M132 T140 T146 D147 | M132-C143 HydrophobicContact CB-CB 4.09Å; T140-C143 PolarHBondContact O-N 3.08Å; T140-C143 WeakPolarHBondContact OG1-CB 3.2Å; T140-C143 PolarHBondContact OG1-N 3.18Å; C143-T146 PolarHBondContact O-N 3.18Å; C143-D147 WeakPolarHBondContact O-CB 3.49Å; C143-D147 PolarHBondContact O-N 3.14Å |
| 144 | Q | 95.9 | Very high | 94.2 | Very high | 106 Ų | 106 | 77.6 Ų | 77.6 | 50% | 0.495 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | -179.5 | -66.4 | -177.3 | -13.8 | 0 | 0 | 112.5 | T140 A141 T148 | T140-Q144 PolarHBondContact O-N 3.18Å; T140-Q144 VanDerWaalsContact O-N 3.07Å; A141-Q144 PolarHBondContact O-N 3.35Å; Q144-T148 VanDerWaalsContact O-CB 3.3Å; Q144-T148 WeakPolarHBondContact O-CB 3.16Å; Q144-T148 PolarHBondContact O-N 3.1Å; Q144-T148 PolarHBondContact O-OG1 3.27Å |
| 145 | A | 96.7 | Very high | 94.3 | Very high | 60 Ų | 60 | 78.9 Ų | 78.9 | 50% | 0.496 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A141 T148 F149 | A141-A145 WeakPolarHBondContact O-CB 3.04Å; A141-A145 PolarHBondContact O-N 3.3Å; A145-T148 PolarHBondContact O-N 2.78Å; A145-F149 VanDerWaalsContact O-CB 3.31Å; A145-F149 WeakPolarHBondContact O-CB 3.41Å; A145-F149 PolarHBondContact O-N 2.79Å |
| 146 | T | 95.2 | Very high | 94.4 | Very high | 26 Ų | 26 | 80.3 Ų | 80.3 | 16% | 0.16 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 178.1 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | C125 V129 L142 C143 T148 F149 I150 | C125-T146 HydrophobicContact CB-CG2 3.99Å; V129-T146 HydrophobicContact CG2-CG2 3.73Å; L142-T146 VanDerWaalsContact O-CB 3.32Å; L142-T146 WeakPolarHBondContact O-CB 3.37Å; L142-T146 PolarHBondContact O-N 3.29Å; L142-T146 PolarHBondContact O-OG1 2.99Å; C143-T146 PolarHBondContact O-N 3.18Å; T146-T148 PolarHBondContact O-N 2.95Å; T146-F149 PolarHBondContact O-N 2.85Å; T146-I150 HydrophobicContact CG2-CD1 4.05Å; T146-I150 HydrophobicContact CG2-CG1 4.49Å; T146-I150 VanDerWaalsContact O-CG1 3.27Å; T146-I150 WeakPolarHBondContact O-CG1 3.31Å; T146-I150 PolarHBondContact O-N 3.37Å |
| 147 | D | 96 | Very high | 94.6 | Very high | 31 Ų | 31 | 73.8 Ų | 73.8 | 17% | 0.166 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 177.4 | -177.6 | 40.5 | 0 | 0 | 0 | 111.6 | V129 C143 F149 I150 K151 | V129-D147 HydrophobicContact CG1-CB 3.83Å; V129-D147 HydrophobicContact CG2-CB 4.13Å; C143-D147 WeakPolarHBondContact O-CB 3.49Å; C143-D147 PolarHBondContact O-N 3.14Å; D147-F149 PolarHBondContact O-N 3.22Å; D147-I150 PolarHBondContact O-N 2.91Å; D147-K151 VanDerWaalsContact CG-NZ 3.32Å; D147-K151 WeakPolarHBondContact O-CB 3.49Å; D147-K151 WeakPolarHBondContact O-CG 3.2Å; D147-K151 PolarHBondContact O-N 2.87Å; D147-K151 WeakPolarHBondContact OD1-CE 3.37Å; D147-K151 IonicContact OD1-NZ 2.85Å; D147-K151 PolarHBondContact OD1-NZ 2.84Å; D147-K151 WeakPolarHBondContact OD2-CE 3.16Å; D147-K151 IonicContact OD2-NZ 3.56Å; D147-K151 PolarHBondContact OD2-NZ 3.28Å |
| 148 | T | 96.5 | Very high | 94.6 | Very high | 88 Ų | 88 | 70 Ų | 70 | 54% | 0.54 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 176.5 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | Q144 A145 T146 K151 K152 | Q144-T148 VanDerWaalsContact O-CB 3.3Å; Q144-T148 WeakPolarHBondContact O-CB 3.16Å; Q144-T148 PolarHBondContact O-N 3.1Å; Q144-T148 PolarHBondContact O-OG1 3.27Å; A145-T148 PolarHBondContact O-N 2.78Å; T146-T148 PolarHBondContact O-N 2.95Å; T148-K151 PolarHBondContact O-N 3.11Å; T148-K152 VanDerWaalsContact O-CB 3.27Å; T148-K152 WeakPolarHBondContact O-CB 3.35Å; T148-K152 PolarHBondContact O-N 3.31Å |
| 149 | F | 95.2 | Very high | 94.8 | Very high | 113 Ų | 113 | 71.1 Ų | 71.1 | 50% | 0.496 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.3 | -48 | 177.6 | -179.7 | -90.2 | 0 | 0 | 0 | 111.7 | A145 T146 D147 K152 H153 I157 | A145-F149 VanDerWaalsContact O-CB 3.31Å; A145-F149 WeakPolarHBondContact O-CB 3.41Å; A145-F149 PolarHBondContact O-N 2.79Å; T146-F149 PolarHBondContact O-N 2.85Å; D147-F149 PolarHBondContact O-N 3.22Å; F149-K152 PolarHBondContact O-N 3.12Å; F149-H153 AromaticContact CD2-CD2 3.55Å; F149-H153 HydrophobicContact CE1-CB 4.4Å; F149-H153 AromaticContact CE2-CD2 3.5Å; F149-H153 HydrophobicContact CZ-CB 4.38Å; F149-H153 WeakPolarHBondContact O-CB 3.47Å; F149-H153 PolarHBondContact O-CD2 3.37Å; F149-H153 PolarHBondContact O-N 3.27Å; F149-I157 HydrophobicContact CE1-CD1 4.38Å |
| 150 | I | 95.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.1 | -52.3 | 177.5 | -65.9 | 165.2 | 0 | 0 | 0 | 109.8 | L122 C125 V129 T146 D147 K152 H153 M154 | L122-I150 HydrophobicContact CD1-CG2 4.02Å; C125-I150 HydrophobicContact CB-CD1 3.6Å; C125-I150 HydrophobicContact CB-CG1 4.03Å; V129-I150 HydrophobicContact CG2-CD1 4.11Å; T146-I150 HydrophobicContact CG2-CD1 4.05Å; T146-I150 HydrophobicContact CG2-CG1 4.49Å; T146-I150 VanDerWaalsContact O-CG1 3.27Å; T146-I150 WeakPolarHBondContact O-CG1 3.31Å; T146-I150 PolarHBondContact O-N 3.37Å; D147-I150 PolarHBondContact O-N 2.91Å; I150-K152 PolarHBondContact O-N 3.48Å; I150-H153 PolarHBondContact O-N 2.7Å; I150-M154 WeakPolarHBondContact O-CA 3.44Å; I150-M154 WeakPolarHBondContact O-CB 3.33Å; I150-M154 PolarHBondContact O-N 3.46Å |
| 151 | K | 94.7 | Very high | 94.9 | Very high | 148 Ų | 148 | 67.1 Ų | 67.1 | 64% | 0.643 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.8 | -39.3 | -178.3 | -75.5 | 170.5 | 175.7 | 165.2 | 0 | 112 | D147 T148 | D147-K151 VanDerWaalsContact CG-NZ 3.32Å; D147-K151 WeakPolarHBondContact O-CB 3.49Å; D147-K151 WeakPolarHBondContact O-CG 3.2Å; D147-K151 PolarHBondContact O-N 2.87Å; D147-K151 WeakPolarHBondContact OD1-CE 3.37Å; D147-K151 IonicContact OD1-NZ 2.85Å; D147-K151 PolarHBondContact OD1-NZ 2.84Å; D147-K151 WeakPolarHBondContact OD2-CE 3.16Å; D147-K151 IonicContact OD2-NZ 3.56Å; D147-K151 PolarHBondContact OD2-NZ 3.28Å; T148-K151 PolarHBondContact O-N 3.11Å |
| 152 | K | 95.4 | Very high | 94.9 | Very high | 155 Ų | 155 | 63.5 Ų | 63.5 | 67% | 0.674 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -72.2 | -41.7 | 178.9 | -174.5 | 177 | 177.6 | -177 | 0 | 113.1 | T148 F149 I150 | T148-K152 VanDerWaalsContact O-CB 3.27Å; T148-K152 WeakPolarHBondContact O-CB 3.35Å; T148-K152 PolarHBondContact O-N 3.31Å; F149-K152 PolarHBondContact O-N 3.12Å; I150-K152 PolarHBondContact O-N 3.48Å |
| 153 | H | 94.5 | Very high | 94.9 | Very high | 58 Ų | 58 | 59.2 Ų | 59.2 | 27% | 0.269 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -108.8 | -4.2 | -168.1 | -67.3 | -71.2 | 0 | 0 | 0 | 115.1 | F149 I150 Q155 T156 I157 | F149-H153 AromaticContact CD2-CD2 3.55Å; F149-H153 HydrophobicContact CE1-CB 4.4Å; F149-H153 AromaticContact CE2-CD2 3.5Å; F149-H153 HydrophobicContact CZ-CB 4.38Å; F149-H153 WeakPolarHBondContact O-CB 3.47Å; F149-H153 PolarHBondContact O-CD2 3.37Å; F149-H153 PolarHBondContact O-N 3.27Å; I150-H153 PolarHBondContact O-N 2.7Å; H153-Q155 VanDerWaalsContact C-N 3.27Å; H153-Q155 PolarHBondContact O-N 3.32Å; H153-T156 WeakPolarHBondContact O-CB 3.31Å; H153-T156 PolarHBondContact O-N 2.95Å; H153-T156 VanDerWaalsContact O-N 3.07Å; H153-I157 HydrophobicContact CB-CD1 4.2Å; H153-I157 HydrophobicContact CB-CG1 4.5Å; H153-I157 WeakPolarHBondContact O-CG1 3.15Å; H153-I157 PolarHBondContact O-N 3.24Å |
| 154 | M | 94.1 | Very high | 95 | Very high | 84 Ų | 84 | 59.8 Ų | 59.8 | 41% | 0.414 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -52.1 | -47.7 | -178.3 | 176.5 | 174.1 | 77.8 | 0 | 0 | 111.6 | L122 I150 T156 I157 L158 | L122-M154 HydrophobicContact CD1-CB 4.3Å; L122-M154 HydrophobicContact CD1-CG 4.17Å; L122-M154 HydrophobicContact CD2-CG 4.16Å; I150-M154 WeakPolarHBondContact O-CA 3.44Å; I150-M154 WeakPolarHBondContact O-CB 3.33Å; I150-M154 PolarHBondContact O-N 3.46Å; M154-T156 PolarHBondContact O-N 3.24Å; M154-I157 PolarHBondContact O-N 2.85Å; M154-L158 HydrophobicContact CG-CD1 3.93Å; M154-L158 HydrophobicContact CG-CG 4.39Å; M154-L158 WeakPolarHBondContact O-CB 3.41Å; M154-L158 VanDerWaalsContact O-CG 3.26Å; M154-L158 WeakPolarHBondContact O-CG 3.3Å; M154-L158 PolarHBondContact O-N 2.75Å |
| 155 | Q | 92.9 | Very high | 94.9 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 35% | 0.346 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | -178.9 | -178.9 | 56.1 | 16.6 | 0 | 0 | 112.2 | H153 L158 H159 R204 | H153-Q155 VanDerWaalsContact C-N 3.27Å; H153-Q155 PolarHBondContact O-N 3.32Å; Q155-L158 PolarHBondContact O-N 3.17Å; Q155-H159 VanDerWaalsContact O-CB 3.28Å; Q155-H159 WeakPolarHBondContact O-CB 3.27Å; Q155-H159 PolarHBondContact O-N 3.29Å; Q155-R204 VanDerWaalsContact CD-CZ 3.41Å |
| 156 | T | 93.5 | Very high | 94.9 | Very high | 87 Ų | 87 | 52.7 Ų | 52.7 | 53% | 0.534 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.5 | -49.7 | 0 | 0 | 0 | 0 | 111.5 | H153 M154 H159 L160 | H153-T156 WeakPolarHBondContact O-CB 3.31Å; H153-T156 PolarHBondContact O-N 2.95Å; H153-T156 VanDerWaalsContact O-N 3.07Å; M154-T156 PolarHBondContact O-N 3.24Å; T156-H159 PolarHBondContact O-N 3.49Å; T156-L160 VanDerWaalsContact O-CB 3.3Å; T156-L160 WeakPolarHBondContact O-CB 3.28Å; T156-L160 PolarHBondContact O-N 3.26Å |
| 157 | I | 94 | Very high | 95 | Very high | 26 Ų | 26 | 56.2 Ų | 56.2 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 178.6 | -68.6 | 166.2 | 0 | 0 | 0 | 110.8 | L118 L122 F149 H153 M154 H159 L160 A161 | L118-I157 HydrophobicContact CB-CG2 4.18Å; L118-I157 HydrophobicContact CD2-CG2 4.23Å; L122-I157 HydrophobicContact CB-CG2 4.34Å; L122-I157 HydrophobicContact CD1-CD1 4.35Å; L122-I157 HydrophobicContact CD2-CG2 4.41Å; F149-I157 HydrophobicContact CE1-CD1 4.38Å; H153-I157 HydrophobicContact CB-CD1 4.2Å; H153-I157 HydrophobicContact CB-CG1 4.5Å; H153-I157 WeakPolarHBondContact O-CG1 3.15Å; H153-I157 PolarHBondContact O-N 3.24Å; M154-I157 PolarHBondContact O-N 2.85Å; I157-H159 VanDerWaalsContact C-N 3.34Å; I157-H159 PolarHBondContact O-N 2.93Å; I157-L160 PolarHBondContact O-N 2.92Å; I157-A161 PolarHBondContact O-N 3.25Å |
| 158 | L | 93.8 | Very high | 95 | Very high | 31 Ų | 31 | 54.7 Ų | 54.7 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 177.8 | -69.1 | 174.9 | 0 | 0 | 0 | 111.9 | F119 L122 M154 Q155 A161 A162 R204 | F119-L158 HydrophobicContact CD1-CD2 4.15Å; F119-L158 HydrophobicContact CE1-CD2 3.51Å; F119-L158 HydrophobicContact CZ-CD2 4.45Å; L122-L158 HydrophobicContact CD2-CD2 3.75Å; L122-L158 HydrophobicContact CD2-CG 4.04Å; M154-L158 HydrophobicContact CG-CD1 3.93Å; M154-L158 HydrophobicContact CG-CG 4.39Å; M154-L158 WeakPolarHBondContact O-CB 3.41Å; M154-L158 VanDerWaalsContact O-CG 3.26Å; M154-L158 WeakPolarHBondContact O-CG 3.3Å; M154-L158 PolarHBondContact O-N 2.75Å; Q155-L158 PolarHBondContact O-N 3.17Å; L158-A161 PolarHBondContact O-N 3.36Å; L158-A162 PolarHBondContact O-N 3.5Å; L158-R204 HydrophobicContact CB-CG 4.43Å |
| 159 | H | 93.7 | Very high | 94.9 | Very high | 45 Ų | 45 | 52.1 Ų | 52.1 | 21% | 0.208 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.1 | -43.1 | 175.8 | -178.4 | 85.3 | 0 | 0 | 0 | 111.4 | Q155 T156 I157 A161 A162 C163 E211 | Q155-H159 VanDerWaalsContact O-CB 3.28Å; Q155-H159 WeakPolarHBondContact O-CB 3.27Å; Q155-H159 PolarHBondContact O-N 3.29Å; T156-H159 PolarHBondContact O-N 3.49Å; I157-H159 VanDerWaalsContact C-N 3.34Å; I157-H159 PolarHBondContact O-N 2.93Å; H159-A161 VanDerWaalsContact C-N 3.31Å; H159-A161 PolarHBondContact O-N 3.47Å; H159-A162 WeakPolarHBondContact O-CB 3.49Å; H159-A162 PolarHBondContact O-N 2.89Å; H159-A162 VanDerWaalsContact O-N 3.14Å; H159-C163 PolarHBondContact NE2-SG 3Å; H159-C163 PolarHBondContact O-N 3.36Å; H159-E211 IonicContact CE1-OE2 2.91Å; H159-E211 PolarHBondContact CE1-OE2 3.25Å; H159-E211 IonicContact ND1-OE2 2.78Å; H159-E211 IonicContact NE2-OE2 3.64Å |
| 160 | L | 94.6 | Very high | 94.9 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 45% | 0.45 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.3 | -44.3 | 174.6 | -179.6 | 63.7 | 0 | 0 | 0 | 111.4 | L118 T156 I157 A162 C163 C164 | L118-L160 HydrophobicContact CD1-CB 4.35Å; L118-L160 HydrophobicContact CD1-CD2 3.82Å; L118-L160 HydrophobicContact CD1-CG 3.85Å; L118-L160 HydrophobicContact CD2-CD2 4.13Å; T156-L160 VanDerWaalsContact O-CB 3.3Å; T156-L160 WeakPolarHBondContact O-CB 3.28Å; T156-L160 PolarHBondContact O-N 3.26Å; I157-L160 PolarHBondContact O-N 2.92Å; L160-A162 PolarHBondContact O-N 2.84Å; L160-C163 PolarHBondContact O-N 3.4Å; L160-C164 PolarHBondContact O-N 2.79Å; L160-C164 PolarHBondContact O-SG 3.17Å; L160-C164 VanDerWaalsContact O-SG 3.32Å |
| 161 | A | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L118 F119 I157 L158 H159 C163 C164 E165 | L118-A161 HydrophobicContact CB-CB 4.48Å; L118-A161 HydrophobicContact CD1-CB 4.21Å; F119-A161 HydrophobicContact CD2-CB 4.39Å; F119-A161 HydrophobicContact CE1-CB 4.45Å; F119-A161 HydrophobicContact CE2-CB 3.65Å; F119-A161 HydrophobicContact CZ-CB 3.68Å; I157-A161 PolarHBondContact O-N 3.25Å; L158-A161 PolarHBondContact O-N 3.36Å; H159-A161 VanDerWaalsContact C-N 3.31Å; H159-A161 PolarHBondContact O-N 3.47Å; A161-C163 VanDerWaalsContact C-N 3.34Å; A161-C163 PolarHBondContact O-N 3.37Å; A161-C164 WeakPolarHBondContact O-CB 3.45Å; A161-C164 PolarHBondContact O-N 3.08Å; A161-E165 WeakPolarHBondContact O-CG 3.37Å; A161-E165 PolarHBondContact O-N 2.99Å |
| 162 | A | 95.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L158 H159 L160 E165 I166 R204 A208 | L158-A162 PolarHBondContact O-N 3.5Å; H159-A162 WeakPolarHBondContact O-CB 3.49Å; H159-A162 PolarHBondContact O-N 2.89Å; H159-A162 VanDerWaalsContact O-N 3.14Å; L160-A162 PolarHBondContact O-N 2.84Å; A162-E165 WeakPolarHBondContact O-CB 3.17Å; A162-E165 PolarHBondContact O-N 3.32Å; A162-I166 VanDerWaalsContact O-CG1 3.26Å; A162-I166 WeakPolarHBondContact O-CG1 3.31Å; A162-I166 PolarHBondContact O-N 2.89Å; A162-I166 VanDerWaalsContact O-N 3.08Å; A162-R204 HydrophobicContact CB-CB 4.25Å; A162-A208 HydrophobicContact CB-CB 4.03Å |
| 163 | C | 95.7 | Very high | 94.9 | Very high | 17 Ų | 17 | 40.6 Ų | 40.6 | 12% | 0.115 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 174.5 | -73.2 | 0 | 0 | 0 | 0 | 112 | H159 L160 A161 E165 I166 F167 | H159-C163 PolarHBondContact NE2-SG 3Å; H159-C163 PolarHBondContact O-N 3.36Å; L160-C163 PolarHBondContact O-N 3.4Å; A161-C163 VanDerWaalsContact C-N 3.34Å; A161-C163 PolarHBondContact O-N 3.37Å; C163-E165 VanDerWaalsContact C-N 3.3Å; C163-E165 PolarHBondContact O-N 2.94Å; C163-I166 PolarHBondContact O-N 2.68Å; C163-F167 HydrophobicContact CB-CD2 4.35Å; C163-F167 HydrophobicContact CB-CE2 4.37Å; C163-F167 WeakPolarHBondContact O-CD2 3.47Å; C163-F167 PolarHBondContact O-N 3.22Å |
| 164 | C | 96.2 | Very high | 94.9 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 10% | 0.095 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.2 | -42.4 | 174.1 | -69 | 0 | 0 | 0 | 0 | 111.7 | L111 T115 L160 A161 I166 L168 | L111-C164 HydrophobicContact CD1-CB 3.92Å; T115-C164 HydrophobicContact CG2-CB 3.5Å; T115-C164 VanDerWaalsContact CG2-CB 3.5Å; L160-C164 PolarHBondContact O-N 2.79Å; L160-C164 PolarHBondContact O-SG 3.17Å; L160-C164 VanDerWaalsContact O-SG 3.32Å; A161-C164 WeakPolarHBondContact O-CB 3.45Å; A161-C164 PolarHBondContact O-N 3.08Å; C164-I166 VanDerWaalsContact C-N 3.35Å; C164-I166 PolarHBondContact O-N 2.91Å; C164-L168 WeakPolarHBondContact O-CB 3.46Å; C164-L168 PolarHBondContact O-N 2.98Å |
| 165 | E | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.7 | -46.9 | 175.1 | -70.6 | 164.7 | -163.3 | 0 | 0 | 111.8 | Y96 T115 A161 A162 C163 L168 Y189 F192 R196 T205 | Y96-E165 WeakPolarHBondContact CE1-OE1 3.44Å; Y96-E165 VanDerWaalsContact CZ-OE1 3.27Å; Y96-E165 PolarHBondContact OH-OE1 3.12Å; T115-E165 HydrophobicContact CG2-CG 3.78Å; A161-E165 WeakPolarHBondContact O-CG 3.37Å; A161-E165 PolarHBondContact O-N 2.99Å; A162-E165 WeakPolarHBondContact O-CB 3.17Å; A162-E165 PolarHBondContact O-N 3.32Å; C163-E165 VanDerWaalsContact C-N 3.3Å; C163-E165 PolarHBondContact O-N 2.94Å; E165-L168 PolarHBondContact O-N 2.82Å; E165-Y189 WeakPolarHBondContact CA-OH 3.28Å; E165-Y189 WeakPolarHBondContact O-CE1 3.45Å; E165-Y189 PolarHBondContact O-OH 3.04Å; E165-F192 HydrophobicContact CB-CE1 4.47Å; E165-F192 HydrophobicContact CG-CE1 4.27Å; E165-F192 HydrophobicContact CG-CZ 4.38Å; E165-R196 IonicContact OE2-CZ 3.78Å; E165-R196 IonicContact OE2-NE 3.68Å; E165-R196 PolarHBondContact OE2-NE 3.01Å; E165-R196 IonicContact OE2-NH2 3.81Å; E165-T205 PolarHBondContact OE2-OG1 3.38Å |
| 166 | I | 96.1 | Very high | 94.8 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 8% | 0.082 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.9 | -50.2 | -178.1 | -66.3 | 169.5 | 0 | 0 | 0 | 110.8 | A162 C163 C164 L168 L169 P170 T205 A208 F209 L212 | A162-I166 VanDerWaalsContact O-CG1 3.26Å; A162-I166 WeakPolarHBondContact O-CG1 3.31Å; A162-I166 PolarHBondContact O-N 2.89Å; A162-I166 VanDerWaalsContact O-N 3.08Å; C163-I166 PolarHBondContact O-N 2.68Å; C164-I166 VanDerWaalsContact C-N 3.35Å; C164-I166 PolarHBondContact O-N 2.91Å; I166-L168 PolarHBondContact O-N 3.5Å; I166-L169 PolarHBondContact O-N 3.09Å; I166-P170 WeakPolarHBondContact O-CD 3.25Å; I166-T205 HydrophobicContact CG1-CG2 4.38Å; I166-A208 HydrophobicContact CD1-CB 3.65Å; I166-F209 HydrophobicContact CB-CZ 4.28Å; I166-F209 HydrophobicContact CD1-CD1 4.19Å; I166-F209 HydrophobicContact CD1-CD2 3.65Å; I166-F209 HydrophobicContact CD1-CE1 4.25Å; I166-F209 HydrophobicContact CD1-CE2 3.75Å; I166-F209 HydrophobicContact CD1-CG 3.9Å; I166-F209 HydrophobicContact CD1-CZ 4.05Å; I166-F209 HydrophobicContact CG1-CD2 4.04Å; I166-F209 HydrophobicContact CG1-CE1 4.15Å; I166-F209 HydrophobicContact CG1-CE2 3.57Å; I166-F209 HydrophobicContact CG1-CZ 3.63Å; I166-F209 HydrophobicContact CG2-CD1 4.33Å; I166-F209 HydrophobicContact CG2-CE1 3.68Å; I166-F209 HydrophobicContact CG2-CZ 3.85Å; I166-L212 HydrophobicContact CD1-CD1 4.02Å; I166-L212 HydrophobicContact CG2-CD1 3.97Å |
| 167 | F | 96.1 | Very high | 94.9 | Very high | 100 Ų | 100 | 38.5 Ų | 38.5 | 44% | 0.439 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71.7 | -14.9 | -178.2 | -72.7 | -62.1 | 0 | 0 | 0 | 113.6 | L111 C163 L169 P170 V171 L212 | L111-F167 HydrophobicContact CD2-CB 4.17Å; C163-F167 HydrophobicContact CB-CD2 4.35Å; C163-F167 HydrophobicContact CB-CE2 4.37Å; C163-F167 WeakPolarHBondContact O-CD2 3.47Å; C163-F167 PolarHBondContact O-N 3.22Å; F167-L169 VanDerWaalsContact C-N 3.3Å; F167-L169 PolarHBondContact O-N 3.28Å; F167-P170 VanDerWaalsContact O-CD 3.27Å; F167-P170 WeakPolarHBondContact O-CD 3.38Å; F167-P170 VanDerWaalsContact O-CG 3.26Å; F167-P170 WeakPolarHBondContact O-CG 3.42Å; F167-V171 VanDerWaalsContact O-CG2 3.32Å; F167-V171 WeakPolarHBondContact O-CG2 3.17Å; F167-V171 PolarHBondContact O-N 3.14Å; F167-L212 HydrophobicContact CE2-CD1 4.49Å; F167-L212 HydrophobicContact CE2-CD2 4.26Å; F167-L212 HydrophobicContact CZ-CD1 4.34Å; F167-L212 HydrophobicContact CZ-CD2 3.87Å |
| 168 | L | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.2 | -28.9 | 175.5 | -162.7 | 63.4 | 0 | 0 | 0 | 112.7 | Y99 L103 M109 L111 C164 E165 I166 V171 I172 Y189 | Y99-L168 HydrophobicContact CE2-CD2 3.69Å; Y99-L168 VanDerWaalsContact OH-CD2 3.25Å; Y99-L168 WeakPolarHBondContact OH-CD2 3.4Å; L103-L168 HydrophobicContact CD2-CD2 4.05Å; M109-L168 HydrophobicContact CG-CD1 4.32Å; M109-L168 HydrophobicContact SD-CD1 3.49Å; M109-L168 WeakPolarHBondContact SD-CD1 3.47Å; M109-L168 HydrophobicContact SD-CG 4.27Å; L111-L168 HydrophobicContact CB-CD1 3.95Å; L111-L168 HydrophobicContact CD2-CB 4.38Å; L111-L168 HydrophobicContact CD2-CD1 3.92Å; L111-L168 HydrophobicContact CG-CD1 3.91Å; C164-L168 WeakPolarHBondContact O-CB 3.46Å; C164-L168 PolarHBondContact O-N 2.98Å; E165-L168 PolarHBondContact O-N 2.82Å; I166-L168 PolarHBondContact O-N 3.5Å; L168-V171 WeakPolarHBondContact O-CB 3Å; L168-V171 PolarHBondContact O-N 3.04Å; L168-I172 HydrophobicContact CD2-CD1 4.36Å; L168-I172 HydrophobicContact CG-CD1 3.93Å; L168-I172 HydrophobicContact CG-CG1 4.32Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.21Å; L168-I172 PolarHBondContact O-N 3.44Å; L168-Y189 HydrophobicContact CB-CE1 3.79Å; L168-Y189 WeakPolarHBondContact CB-OH 3.45Å; L168-Y189 HydrophobicContact CD2-CE1 4.35Å; L168-Y189 HydrophobicContact CD2-CE2 3.69Å; L168-Y189 WeakPolarHBondContact CD2-OH 3.25Å; L168-Y189 HydrophobicContact CG-CE1 4.23Å; L168-Y189 HydrophobicContact CG-CE2 4.36Å |
| 169 | L | 95.8 | Very high | 94.6 | Very high | 34 Ų | 34 | 47.7 Ų | 47.7 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -54.5 | 178 | 178.6 | 63.8 | 0 | 0 | 0 | 112.8 | I166 F167 V171 I172 V173 Y189 Y190 I193 | I166-L169 PolarHBondContact O-N 3.09Å; F167-L169 VanDerWaalsContact C-N 3.3Å; F167-L169 PolarHBondContact O-N 3.28Å; L169-V171 PolarHBondContact O-N 2.91Å; L169-I172 PolarHBondContact O-N 3Å; L169-I172 VanDerWaalsContact O-N 3.16Å; L169-V173 HydrophobicContact CD1-CG2 4.39Å; L169-V173 WeakPolarHBondContact O-CG2 3.49Å; L169-V173 PolarHBondContact O-N 3.21Å; L169-Y189 HydrophobicContact CB-CD1 3.84Å; L169-Y189 HydrophobicContact CB-CE1 3.95Å; L169-Y189 HydrophobicContact CD1-CD1 3.92Å; L169-Y189 HydrophobicContact CG-CD1 4.48Å; L169-Y190 HydrophobicContact CD2-CD2 4.49Å; L169-I193 HydrophobicContact CB-CD1 3.62Å; L169-I193 HydrophobicContact CD2-CD1 4.09Å; L169-I193 HydrophobicContact CG-CD1 4.39Å |
| 170 | P | 95 | Very high | 94.4 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.8 | -33.4 | 176.4 | 21.5 | -31.3 | 0 | 0 | 0 | 112 | I166 F167 V173 S174 | I166-P170 WeakPolarHBondContact O-CD 3.25Å; F167-P170 VanDerWaalsContact O-CD 3.27Å; F167-P170 WeakPolarHBondContact O-CD 3.38Å; F167-P170 VanDerWaalsContact O-CG 3.26Å; F167-P170 WeakPolarHBondContact O-CG 3.42Å; P170-V173 PolarHBondContact O-N 2.9Å; P170-S174 WeakPolarHBondContact O-CB 3.32Å; P170-S174 PolarHBondContact O-N 2.78Å; P170-S174 PolarHBondContact O-OG 2.87Å; P170-S174 VanDerWaalsContact O-OG 3.06Å |
| 171 | V | 94.8 | Very high | 94 | Very high | 54 Ų | 54 | 47.5 Ų | 47.5 | 33% | 0.327 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 174.3 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | L111 F167 L168 L169 S174 L175 | L111-V171 HydrophobicContact CD2-CG2 3.96Å; F167-V171 VanDerWaalsContact O-CG2 3.32Å; F167-V171 WeakPolarHBondContact O-CG2 3.17Å; F167-V171 PolarHBondContact O-N 3.14Å; L168-V171 WeakPolarHBondContact O-CB 3Å; L168-V171 PolarHBondContact O-N 3.04Å; L169-V171 PolarHBondContact O-N 2.91Å; V171-S174 PolarHBondContact O-N 2.97Å; V171-L175 HydrophobicContact CG1-CD1 4.07Å; V171-L175 WeakPolarHBondContact O-CB 3.5Å; V171-L175 VanDerWaalsContact O-CG 3.31Å; V171-L175 WeakPolarHBondContact O-CG 3.44Å; V171-L175 PolarHBondContact O-N 3.3Å |
| 172 | I | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 176.6 | -70.9 | 167.3 | 0 | 0 | 0 | 110.5 | M109 L168 L169 S174 L175 T176 A185 P186 Y189 | M109-I172 HydrophobicContact CE-CG1 4.32Å; M109-I172 HydrophobicContact SD-CG1 4.26Å; L168-I172 HydrophobicContact CD2-CD1 4.36Å; L168-I172 HydrophobicContact CG-CD1 3.93Å; L168-I172 HydrophobicContact CG-CG1 4.32Å; L168-I172 VanDerWaalsContact O-CG1 3.31Å; L168-I172 WeakPolarHBondContact O-CG1 3.21Å; L168-I172 PolarHBondContact O-N 3.44Å; L169-I172 PolarHBondContact O-N 3Å; L169-I172 VanDerWaalsContact O-N 3.16Å; I172-S174 PolarHBondContact O-N 3.32Å; I172-L175 PolarHBondContact O-N 3.04Å; I172-T176 WeakPolarHBondContact O-CB 3.3Å; I172-T176 PolarHBondContact O-N 2.77Å; I172-T176 PolarHBondContact O-OG1 2.99Å; I172-A185 HydrophobicContact CG2-CB 3.94Å; I172-P186 HydrophobicContact CG2-CB 4.39Å; I172-P186 HydrophobicContact CG2-CG 3.97Å; I172-Y189 HydrophobicContact CD1-CD1 3.71Å; I172-Y189 HydrophobicContact CD1-CD2 3.62Å; I172-Y189 HydrophobicContact CD1-CE1 4.19Å; I172-Y189 HydrophobicContact CD1-CE2 4.15Å; I172-Y189 HydrophobicContact CD1-CG 3.41Å; I172-Y189 VanDerWaalsContact CD1-CG 3.41Å |
| 173 | V | 94.9 | Very high | 93.5 | Very high | 59 Ų | 59 | 57.8 Ų | 57.8 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58 | -49.3 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | L169 P170 L175 T176 L177 P186 | L169-V173 HydrophobicContact CD1-CG2 4.39Å; L169-V173 WeakPolarHBondContact O-CG2 3.49Å; L169-V173 PolarHBondContact O-N 3.21Å; P170-V173 PolarHBondContact O-N 2.9Å; V173-L175 PolarHBondContact O-N 3.45Å; V173-T176 WeakPolarHBondContact O-CB 3.12Å; V173-T176 PolarHBondContact O-N 2.8Å; V173-L177 HydrophobicContact CG1-CD1 4.24Å; V173-L177 WeakPolarHBondContact O-CG 3.39Å; V173-L177 PolarHBondContact O-N 3.29Å; V173-P186 HydrophobicContact CG2-CB 3.9Å; V173-P186 HydrophobicContact CG2-CG 4.25Å |
| 174 | S | 94.2 | Very high | 93.3 | Very high | 57 Ų | 57 | 61.2 Ų | 61.2 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 176.9 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | P170 V171 I172 T176 L177 Y178 | P170-S174 WeakPolarHBondContact O-CB 3.32Å; P170-S174 PolarHBondContact O-N 2.78Å; P170-S174 PolarHBondContact O-OG 2.87Å; P170-S174 VanDerWaalsContact O-OG 3.06Å; V171-S174 PolarHBondContact O-N 2.97Å; I172-S174 PolarHBondContact O-N 3.32Å; S174-T176 VanDerWaalsContact C-N 3.31Å; S174-T176 PolarHBondContact O-N 3.31Å; S174-L177 PolarHBondContact O-N 3.35Å; S174-L177 VanDerWaalsContact O-N 3.15Å; S174-Y178 WeakPolarHBondContact O-CD2 3.21Å; S174-Y178 PolarHBondContact O-N 3.24Å |
| 175 | L | 92.4 | Very high | 93.1 | Very high | 34 Ų | 34 | 60.8 Ų | 60.8 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 177.7 | -73.3 | 171.9 | 0 | 0 | 0 | 112.6 | M109 V171 I172 V173 Y178 G179 K180 C181 | M109-L175 HydrophobicContact CE-CD1 3.54Å; M109-L175 HydrophobicContact SD-CD1 4.4Å; V171-L175 HydrophobicContact CG1-CD1 4.07Å; V171-L175 WeakPolarHBondContact O-CB 3.5Å; V171-L175 VanDerWaalsContact O-CG 3.31Å; V171-L175 WeakPolarHBondContact O-CG 3.44Å; V171-L175 PolarHBondContact O-N 3.3Å; I172-L175 PolarHBondContact O-N 3.04Å; V173-L175 PolarHBondContact O-N 3.45Å; L175-Y178 PolarHBondContact O-N 2.89Å; L175-G179 PolarHBondContact O-N 3.46Å; L175-K180 HydrophobicContact CB-CB 4.34Å; L175-K180 HydrophobicContact CD2-CB 4.04Å; L175-K180 HydrophobicContact CD2-CD 3.89Å; L175-K180 WeakPolarHBondContact O-CB 3.43Å; L175-K180 PolarHBondContact O-N 3.46Å; L175-C181 HydrophobicContact CB-CB 4.3Å; L175-C181 PolarHBondContact O-N 3.13Å |
| 176 | T | 93.9 | Very high | 93.1 | Very high | 25 Ų | 25 | 61.6 Ų | 61.6 | 15% | 0.153 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.3 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | I172 V173 S174 Y178 G179 N182 I183 P186 | I172-T176 WeakPolarHBondContact O-CB 3.3Å; I172-T176 PolarHBondContact O-N 2.77Å; I172-T176 PolarHBondContact O-OG1 2.99Å; V173-T176 WeakPolarHBondContact O-CB 3.12Å; V173-T176 PolarHBondContact O-N 2.8Å; S174-T176 VanDerWaalsContact C-N 3.31Å; S174-T176 PolarHBondContact O-N 3.31Å; T176-Y178 VanDerWaalsContact C-N 3.3Å; T176-Y178 PolarHBondContact O-N 3.2Å; T176-G179 PolarHBondContact O-N 2.86Å; T176-N182 PolarHBondContact OG1-O 3.41Å; T176-I183 HydrophobicContact CG2-CB 4.4Å; T176-I183 HydrophobicContact CG2-CG1 4.4Å; T176-P186 HydrophobicContact CG2-CG 4.23Å; T176-P186 WeakPolarHBondContact OG1-CD 3.31Å; T176-P186 WeakPolarHBondContact OG1-CG 3.47Å |
| 177 | L | 94.6 | Very high | 93 | Very high | 143 Ų | 143 | 67.6 Ų | 67.6 | 75% | 0.749 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.6 | -32.9 | 176.8 | -66.8 | 175.1 | 0 | 0 | 0 | 112.8 | V173 S174 G179 | V173-L177 HydrophobicContact CG1-CD1 4.24Å; V173-L177 WeakPolarHBondContact O-CG 3.39Å; V173-L177 PolarHBondContact O-N 3.29Å; S174-L177 PolarHBondContact O-N 3.35Å; S174-L177 VanDerWaalsContact O-N 3.15Å; L177-G179 PolarHBondContact O-N 2.91Å |
| 178 | Y | 93.3 | Very high | 92.8 | Very high | 184 Ų | 184 | 67 Ų | 67 | 72% | 0.722 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 3.8 | 172.3 | -70.3 | -65 | 0 | 0 | 0 | 113.9 | S174 L175 T176 K180 | S174-Y178 WeakPolarHBondContact O-CD2 3.21Å; S174-Y178 PolarHBondContact O-N 3.24Å; L175-Y178 PolarHBondContact O-N 2.89Å; T176-Y178 VanDerWaalsContact C-N 3.3Å; T176-Y178 PolarHBondContact O-N 3.2Å; Y178-K180 PolarHBondContact O-N 3.23Å |
| 179 | G | 89.3 | Confident | 92.8 | Very high | 67 Ų | 67 | 67 Ų | 67 | 69% | 0.691 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 16.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L175 T176 L177 | L175-G179 PolarHBondContact O-N 3.46Å; T176-G179 PolarHBondContact O-N 2.86Å; L177-G179 PolarHBondContact O-N 2.91Å |
| 180 | K | 88.1 | Confident | 92.8 | Very high | 110 Ų | 110 | 69.3 Ų | 69.3 | 48% | 0.478 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -90.7 | -10 | -179.7 | -69.6 | -169.7 | 177.4 | -175.4 | 0 | 113.7 | Q107 L175 Y178 | Q107-K180 VanDerWaalsContact CD-O 3.31Å; Q107-K180 VanDerWaalsContact CG-O 3.24Å; Q107-K180 WeakPolarHBondContact CG-O 3.27Å; L175-K180 HydrophobicContact CB-CB 4.34Å; L175-K180 HydrophobicContact CD2-CB 4.04Å; L175-K180 HydrophobicContact CD2-CD 3.89Å; L175-K180 WeakPolarHBondContact O-CB 3.43Å; L175-K180 PolarHBondContact O-N 3.46Å; Y178-K180 PolarHBondContact O-N 3.23Å |
| 181 | C | 86.4 | Confident | 92.7 | Very high | 17 Ų | 17 | 73.8 Ų | 73.8 | 12% | 0.115 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -141 | 154.5 | 179.9 | -73 | 0 | 0 | 0 | 0 | 110.3 | V106 L175 | V106-C181 HydrophobicContact CG1-CB 4.4Å; L175-C181 HydrophobicContact CB-CB 4.3Å; L175-C181 PolarHBondContact O-N 3.13Å |
| 182 | N | 88.5 | Confident | 92.7 | Very high | 96 Ų | 96 | 71.2 Ų | 71.2 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | trans | -59.5 | 144.2 | 174.3 | -171.7 | -18.6 | 0 | 0 | 0 | 110.6 | T176 I184 A185 | T176-N182 PolarHBondContact OG1-O 3.41Å; N182-I184 PolarHBondContact O-N 2.9Å; N182-I184 VanDerWaalsContact O-N 3.16Å; N182-I184 PolarHBondContact OD1-N 3Å; N182-I184 VanDerWaalsContact OD1-N 3.11Å; N182-A185 WeakPolarHBondContact O-CB 3.33Å; N182-A185 PolarHBondContact O-N 3.36Å | ||
| 183 | I | 91.6 | Very high | 92.7 | Very high | 120 Ų | 120 | 71.8 Ų | 71.8 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -24.6 | 174.4 | -163.2 | 165.3 | 0 | 0 | 0 | 113 | T176 P186 F187 | T176-I183 HydrophobicContact CG2-CB 4.4Å; T176-I183 HydrophobicContact CG2-CG1 4.4Å; I183-P186 WeakPolarHBondContact O-CD 3.32Å; I183-F187 WeakPolarHBondContact O-CD2 3.44Å; I183-F187 VanDerWaalsContact O-CE2 3.23Å; I183-F187 WeakPolarHBondContact O-CE2 3.44Å |
| 184 | I | 92.5 | Very high | 92.6 | Very high | 89 Ų | 89 | 69.7 Ų | 69.7 | 46% | 0.456 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -24.3 | 178.7 | -61.4 | 174.8 | 0 | 0 | 0 | 112.2 | N182 F187 I188 | N182-I184 PolarHBondContact O-N 2.9Å; N182-I184 VanDerWaalsContact O-N 3.16Å; N182-I184 PolarHBondContact OD1-N 3Å; N182-I184 VanDerWaalsContact OD1-N 3.11Å; I184-F187 WeakPolarHBondContact O-CB 3.48Å; I184-F187 PolarHBondContact O-N 2.97Å; I184-F187 VanDerWaalsContact O-N 3.1Å; I184-I188 HydrophobicContact CG2-CD1 3.53Å; I184-I188 HydrophobicContact CG2-CG1 3.73Å; I184-I188 PolarHBondContact O-N 3.45Å |
| 185 | A | 92.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 68.6 Ų | 68.6 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V106 I172 N182 F187 I188 Y189 | V106-A185 HydrophobicContact CG1-CB 3.71Å; I172-A185 HydrophobicContact CG2-CB 3.94Å; N182-A185 WeakPolarHBondContact O-CB 3.33Å; N182-A185 PolarHBondContact O-N 3.36Å; A185-F187 VanDerWaalsContact C-N 3.28Å; A185-F187 PolarHBondContact O-N 2.95Å; A185-I188 PolarHBondContact O-N 2.68Å; A185-Y189 VanDerWaalsContact O-CB 3.3Å; A185-Y189 WeakPolarHBondContact O-CB 3.33Å; A185-Y189 PolarHBondContact O-N 3.32Å |
| 186 | P | 94.2 | Very high | 92.4 | Very high | 18 Ų | 18 | 67.1 Ų | 67.1 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.6 | -36.6 | 175 | -21.9 | 30.5 | 0 | 0 | 0 | 113.6 | I172 V173 T176 I183 Y190 | I172-P186 HydrophobicContact CG2-CB 4.39Å; I172-P186 HydrophobicContact CG2-CG 3.97Å; V173-P186 HydrophobicContact CG2-CB 3.9Å; V173-P186 HydrophobicContact CG2-CG 4.25Å; T176-P186 HydrophobicContact CG2-CG 4.23Å; T176-P186 WeakPolarHBondContact OG1-CD 3.31Å; T176-P186 WeakPolarHBondContact OG1-CG 3.47Å; I183-P186 WeakPolarHBondContact O-CD 3.32Å; P186-Y190 WeakPolarHBondContact O-CB 3.38Å; P186-Y190 PolarHBondContact O-N 3.26Å |
| 187 | F | 93.9 | Very high | 92.3 | Very high | 141 Ų | 141 | 68.1 Ų | 68.1 | 62% | 0.618 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -70 | -44.9 | -178.1 | -62.5 | -84.1 | 0 | 0 | 0 | 111.9 | I183 I184 A185 Y189 Y190 R191 | I183-F187 WeakPolarHBondContact O-CD2 3.44Å; I183-F187 VanDerWaalsContact O-CE2 3.23Å; I183-F187 WeakPolarHBondContact O-CE2 3.44Å; I184-F187 WeakPolarHBondContact O-CB 3.48Å; I184-F187 PolarHBondContact O-N 2.97Å; I184-F187 VanDerWaalsContact O-N 3.1Å; A185-F187 VanDerWaalsContact C-N 3.28Å; A185-F187 PolarHBondContact O-N 2.95Å; F187-Y189 VanDerWaalsContact C-N 3.34Å; F187-Y190 PolarHBondContact O-N 3.35Å; F187-R191 PolarHBondContact O-N 3.49Å; F187-R191 VanDerWaalsContact O-N 3.1Å |
| 188 | I | 93.5 | Very high | 91.9 | Very high | 87 Ų | 87 | 63.1 Ų | 63.1 | 45% | 0.446 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 177.1 | -54.4 | 177.5 | 0 | 0 | 0 | 109.8 | I102 I184 A185 R191 F192 | I102-I188 HydrophobicContact CD1-CB 4.41Å; I102-I188 HydrophobicContact CD1-CG2 3.55Å; I102-I188 HydrophobicContact CG1-CB 4.38Å; I102-I188 HydrophobicContact CG1-CG2 3.58Å; I184-I188 HydrophobicContact CG2-CD1 3.53Å; I184-I188 HydrophobicContact CG2-CG1 3.73Å; I184-I188 PolarHBondContact O-N 3.45Å; A185-I188 PolarHBondContact O-N 2.68Å; I188-R191 WeakPolarHBondContact O-CB 3.35Å; I188-R191 PolarHBondContact O-N 2.9Å; I188-F192 PolarHBondContact O-N 3.01Å |
| 189 | Y | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 179 | -165.2 | -100.7 | 0 | 0 | 0 | 112.9 | Y99 I102 E165 L168 L169 I172 A185 F187 R191 F192 I193 | Y99-Y189 AromaticContact CD2-CE2 3.64Å; Y99-Y189 HydrophobicContact CD2-CE2 3.64Å; Y99-Y189 AromaticContact CE2-CE2 3.53Å; Y99-Y189 HydrophobicContact CE2-CE2 3.53Å; Y99-Y189 AromaticContact CE2-CZ 3.97Å; Y99-Y189 WeakPolarHBondContact CE2-OH 3.09Å; I102-Y189 HydrophobicContact CG2-CD2 4.31Å; E165-Y189 WeakPolarHBondContact CA-OH 3.28Å; E165-Y189 WeakPolarHBondContact O-CE1 3.45Å; E165-Y189 PolarHBondContact O-OH 3.04Å; L168-Y189 HydrophobicContact CB-CE1 3.79Å; L168-Y189 WeakPolarHBondContact CB-OH 3.45Å; L168-Y189 HydrophobicContact CD2-CE1 4.35Å; L168-Y189 HydrophobicContact CD2-CE2 3.69Å; L168-Y189 WeakPolarHBondContact CD2-OH 3.25Å; L168-Y189 HydrophobicContact CG-CE1 4.23Å; L168-Y189 HydrophobicContact CG-CE2 4.36Å; L169-Y189 HydrophobicContact CB-CD1 3.84Å; L169-Y189 HydrophobicContact CB-CE1 3.95Å; L169-Y189 HydrophobicContact CD1-CD1 3.92Å; L169-Y189 HydrophobicContact CG-CD1 4.48Å; I172-Y189 HydrophobicContact CD1-CD1 3.71Å; I172-Y189 HydrophobicContact CD1-CD2 3.62Å; I172-Y189 HydrophobicContact CD1-CE1 4.19Å; I172-Y189 HydrophobicContact CD1-CE2 4.15Å; I172-Y189 HydrophobicContact CD1-CG 3.41Å; I172-Y189 VanDerWaalsContact CD1-CG 3.41Å; A185-Y189 VanDerWaalsContact O-CB 3.3Å; A185-Y189 WeakPolarHBondContact O-CB 3.33Å; A185-Y189 PolarHBondContact O-N 3.32Å; F187-Y189 VanDerWaalsContact C-N 3.34Å; Y189-R191 VanDerWaalsContact C-N 3.3Å; Y189-R191 PolarHBondContact O-N 3.4Å; Y189-F192 HydrophobicContact CD2-CD1 4.13Å; Y189-F192 AromaticContact CE2-CD1 3.62Å; Y189-F192 HydrophobicContact CE2-CD1 3.62Å; Y189-F192 AromaticContact CE2-CE1 3.99Å; Y189-F192 HydrophobicContact CE2-CE1 3.99Å; Y189-F192 HydrophobicContact CE2-CG 4.5Å; Y189-F192 AromaticContact CZ-CD1 3.84Å; Y189-F192 WeakPolarHBondContact O-CB 3.43Å; Y189-F192 PolarHBondContact O-N 3.07Å; Y189-I193 HydrophobicContact CD1-CD1 3.93Å; Y189-I193 HydrophobicContact CD1-CG1 4.33Å; Y189-I193 HydrophobicContact CE1-CD1 3.49Å; Y189-I193 VanDerWaalsContact CE1-CD1 3.49Å; Y189-I193 HydrophobicContact CE1-CG1 3.88Å; Y189-I193 PolarHBondContact O-N 3.49Å |
| 190 | Y | 95.2 | Very high | 90.9 | Very high | 84 Ų | 84 | 61.5 Ų | 61.5 | 33% | 0.329 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.6 | -46.3 | 169.9 | 169 | -109.4 | 0 | 0 | 0 | 110.8 | L169 P186 F187 F192 I193 T194 L243 | L169-Y190 HydrophobicContact CD2-CD2 4.49Å; P186-Y190 WeakPolarHBondContact O-CB 3.38Å; P186-Y190 PolarHBondContact O-N 3.26Å; F187-Y190 PolarHBondContact O-N 3.35Å; Y190-F192 VanDerWaalsContact C-N 3.31Å; Y190-F192 PolarHBondContact O-N 3.47Å; Y190-I193 PolarHBondContact O-N 3.16Å; Y190-I193 VanDerWaalsContact O-N 3.14Å; Y190-T194 PolarHBondContact O-N 3.07Å; Y190-T194 PolarHBondContact O-OG1 3.03Å; Y190-L243 HydrophobicContact CE2-CB 4.11Å; Y190-L243 HydrophobicContact CE2-CD2 4.31Å; Y190-L243 PolarHBondContact OH-O 3.02Å |
| 191 | R | 93.2 | Very high | 90.4 | Very high | 159 Ų | 159 | 63.9 Ų | 63.9 | 60% | 0.6 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.5 | -39.8 | 176.6 | -171.4 | 57.5 | 170.9 | -176 | -1.2 | 112.4 | F187 I188 Y189 T194 M195 | F187-R191 PolarHBondContact O-N 3.49Å; F187-R191 VanDerWaalsContact O-N 3.1Å; I188-R191 WeakPolarHBondContact O-CB 3.35Å; I188-R191 PolarHBondContact O-N 2.9Å; Y189-R191 VanDerWaalsContact C-N 3.3Å; Y189-R191 PolarHBondContact O-N 3.4Å; R191-T194 PolarHBondContact O-N 3.44Å; R191-M195 HydrophobicContact CG-CE 4.31Å; R191-M195 WeakPolarHBondContact O-CG 3.37Å; R191-M195 PolarHBondContact O-N 3.22Å |
| 192 | F | 94.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.7 | -50.8 | 172.3 | 162 | -96.7 | 0 | 0 | 0 | 111.7 | H95 Y96 Y99 I102 E165 I188 Y189 Y190 T194 M195 R196 | H95-F192 HydrophobicContact CB-CD2 4.1Å; H95-F192 HydrophobicContact CB-CE2 3.86Å; H95-F192 VanDerWaalsContact O-CD2 3.32Å; H95-F192 WeakPolarHBondContact O-CD2 3.24Å; H95-F192 VanDerWaalsContact O-CE2 3.29Å; H95-F192 WeakPolarHBondContact O-CE2 3.27Å; Y96-F192 HydrophobicContact CE1-CZ 4.47Å; Y99-F192 AromaticContact CD2-CD1 3.99Å; Y99-F192 HydrophobicContact CD2-CD1 3.99Å; Y99-F192 HydrophobicContact CD2-CD2 4.43Å; Y99-F192 AromaticContact CD2-CE1 3.47Å; Y99-F192 HydrophobicContact CD2-CE1 3.47Å; Y99-F192 VanDerWaalsContact CD2-CE1 3.47Å; Y99-F192 AromaticContact CD2-CE2 3.96Å; Y99-F192 HydrophobicContact CD2-CE2 3.96Å; Y99-F192 HydrophobicContact CD2-CG 4.45Å; Y99-F192 AromaticContact CD2-CZ 3.45Å; Y99-F192 HydrophobicContact CD2-CZ 3.45Å; Y99-F192 VanDerWaalsContact CD2-CZ 3.45Å; Y99-F192 AromaticContact CE2-CE1 4Å; Y99-F192 HydrophobicContact CE2-CE1 4Å; Y99-F192 HydrophobicContact CE2-CZ 4.21Å; Y99-F192 HydrophobicContact CG-CE1 4.47Å; Y99-F192 HydrophobicContact CG-CE2 4.23Å; Y99-F192 HydrophobicContact CG-CZ 4.06Å; I102-F192 HydrophobicContact CD1-CB 4.2Å; E165-F192 HydrophobicContact CB-CE1 4.47Å; E165-F192 HydrophobicContact CG-CE1 4.27Å; E165-F192 HydrophobicContact CG-CZ 4.38Å; I188-F192 PolarHBondContact O-N 3.01Å; Y189-F192 HydrophobicContact CD2-CD1 4.13Å; Y189-F192 AromaticContact CE2-CD1 3.62Å; Y189-F192 HydrophobicContact CE2-CD1 3.62Å; Y189-F192 AromaticContact CE2-CE1 3.99Å; Y189-F192 HydrophobicContact CE2-CE1 3.99Å; Y189-F192 HydrophobicContact CE2-CG 4.5Å; Y189-F192 AromaticContact CZ-CD1 3.84Å; Y189-F192 WeakPolarHBondContact O-CB 3.43Å; Y189-F192 PolarHBondContact O-N 3.07Å; Y190-F192 VanDerWaalsContact C-N 3.31Å; Y190-F192 PolarHBondContact O-N 3.47Å; F192-T194 VanDerWaalsContact C-N 3.32Å; F192-T194 PolarHBondContact O-N 2.9Å; F192-M195 PolarHBondContact O-N 2.76Å; F192-R196 HydrophobicContact CD2-CG 4.15Å; F192-R196 HydrophobicContact CE1-CG 4.06Å; F192-R196 HydrophobicContact CE2-CG 3.61Å; F192-R196 HydrophobicContact CZ-CG 3.56Å; F192-R196 WeakPolarHBondContact O-CG 3.36Å; F192-R196 PolarHBondContact O-N 2.72Å |
| 193 | I | 94.5 | Very high | 90.2 | Very high | 11 Ų | 11 | 61.5 Ų | 61.5 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 177.6 | -74.7 | 175.4 | 0 | 0 | 0 | 111.2 | L169 Y189 Y190 M195 R196 Y197 F209 | L169-I193 HydrophobicContact CB-CD1 3.62Å; L169-I193 HydrophobicContact CD2-CD1 4.09Å; L169-I193 HydrophobicContact CG-CD1 4.39Å; Y189-I193 HydrophobicContact CD1-CD1 3.93Å; Y189-I193 HydrophobicContact CD1-CG1 4.33Å; Y189-I193 HydrophobicContact CE1-CD1 3.49Å; Y189-I193 VanDerWaalsContact CE1-CD1 3.49Å; Y189-I193 HydrophobicContact CE1-CG1 3.88Å; Y189-I193 PolarHBondContact O-N 3.49Å; Y190-I193 PolarHBondContact O-N 3.16Å; Y190-I193 VanDerWaalsContact O-N 3.14Å; I193-M195 VanDerWaalsContact C-N 3.3Å; I193-M195 PolarHBondContact O-N 2.72Å; I193-R196 PolarHBondContact O-N 2.81Å; I193-Y197 WeakPolarHBondContact O-CB 3.48Å; I193-Y197 PolarHBondContact O-N 2.93Å; I193-F209 HydrophobicContact CG2-CE2 3.87Å; I193-F209 HydrophobicContact CG2-CZ 3.84Å |
| 194 | T | 92.8 | Very high | 90.2 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 177.9 | -49.5 | 0 | 0 | 0 | 0 | 111.2 | Y190 R191 F192 Y197 S198 P245 | Y190-T194 PolarHBondContact O-N 3.07Å; Y190-T194 PolarHBondContact O-OG1 3.03Å; R191-T194 PolarHBondContact O-N 3.44Å; F192-T194 VanDerWaalsContact C-N 3.32Å; F192-T194 PolarHBondContact O-N 2.9Å; T194-Y197 PolarHBondContact O-N 3.44Å; T194-S198 WeakPolarHBondContact O-CB 3.4Å; T194-S198 PolarHBondContact O-N 3.47Å; T194-S198 PolarHBondContact O-OG 3.41Å; T194-P245 HydrophobicContact CG2-CB 3.72Å; T194-P245 HydrophobicContact CG2-CG 3.84Å |
| 195 | M | 90.4 | Very high | 90.1 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 17% | 0.167 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | 176.5 | -70.7 | -176.8 | -65.8 | 0 | 0 | 112.2 | L98 R191 F192 I193 S198 S199 | L98-M195 HydrophobicContact CD1-CE 3.62Å; R191-M195 HydrophobicContact CG-CE 4.31Å; R191-M195 WeakPolarHBondContact O-CG 3.37Å; R191-M195 PolarHBondContact O-N 3.22Å; F192-M195 PolarHBondContact O-N 2.76Å; I193-M195 VanDerWaalsContact C-N 3.3Å; I193-M195 PolarHBondContact O-N 2.72Å; M195-S198 PolarHBondContact O-N 2.98Å; M195-S199 PolarHBondContact O-N 3.45Å |
| 196 | R | 92.2 | Very high | 90.2 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 176.2 | -71.5 | -67.3 | -61.5 | 115.3 | 10.9 | 112.5 | D92 H95 Y96 E165 F192 I193 S198 S199 N202 T205 | D92-R196 IonicContact OD1-NH1 3.42Å; D92-R196 PolarHBondContact OD1-NH1 3.43Å; H95-R196 HydrophobicContact CB-CG 4.3Å; H95-R196 WeakPolarHBondContact ND1-CD 3.33Å; Y96-R196 PolarHBondContact OH-NE 3.47Å; Y96-R196 PolarHBondContact OH-NH2 3.23Å; E165-R196 IonicContact OE2-CZ 3.78Å; E165-R196 IonicContact OE2-NE 3.68Å; E165-R196 PolarHBondContact OE2-NE 3.01Å; E165-R196 IonicContact OE2-NH2 3.81Å; F192-R196 HydrophobicContact CD2-CG 4.15Å; F192-R196 HydrophobicContact CE1-CG 4.06Å; F192-R196 HydrophobicContact CE2-CG 3.61Å; F192-R196 HydrophobicContact CZ-CG 3.56Å; F192-R196 WeakPolarHBondContact O-CG 3.36Å; F192-R196 PolarHBondContact O-N 2.72Å; I193-R196 PolarHBondContact O-N 2.81Å; R196-S198 VanDerWaalsContact C-N 3.32Å; R196-S198 PolarHBondContact O-N 3.01Å; R196-S199 WeakPolarHBondContact O-CB 3.24Å; R196-S199 PolarHBondContact O-N 3.17Å; R196-N202 PolarHBondContact NH2-ND2 3.4Å; R196-N202 VanDerWaalsContact NH2-ND2 3.14Å; R196-T205 HydrophobicContact CB-CG2 4.2Å; R196-T205 PolarHBondContact NH2-OG1 3.1Å; R196-T205 VanDerWaalsContact NH2-OG1 3.14Å |
| 197 | Y | 91.4 | Very high | 90.1 | Very high | 47 Ų | 47 | 60 Ų | 60 | 18% | 0.184 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 175.8 | -176.4 | -86.4 | 0 | 0 | 0 | 111.8 | I193 T194 S199 R206 F209 P245 | I193-Y197 WeakPolarHBondContact O-CB 3.48Å; I193-Y197 PolarHBondContact O-N 2.93Å; T194-Y197 PolarHBondContact O-N 3.44Å; Y197-S199 VanDerWaalsContact C-N 3.34Å; Y197-R206 HydrophobicContact CD2-CB 4.16Å; Y197-R206 HydrophobicContact CD2-CG 4.46Å; Y197-R206 HydrophobicContact CE1-CG 4.47Å; Y197-R206 HydrophobicContact CE2-CB 4.03Å; Y197-R206 HydrophobicContact CE2-CG 3.85Å; Y197-F209 AromaticContact CD2-CD2 3.54Å; Y197-F209 HydrophobicContact CD2-CD2 3.54Å; Y197-F209 AromaticContact CD2-CE2 4Å; Y197-F209 HydrophobicContact CD2-CE2 4Å; Y197-F209 HydrophobicContact CD2-CG 4.29Å; Y197-F209 HydrophobicContact CE2-CB 4.12Å; Y197-F209 AromaticContact CE2-CD2 3.94Å; Y197-F209 HydrophobicContact CE2-CD2 3.94Å; Y197-F209 HydrophobicContact CE2-CG 4.26Å; Y197-P245 HydrophobicContact CD1-CG 3.29Å; Y197-P245 HydrophobicContact CE1-CG 3.77Å; Y197-P245 HydrophobicContact CG-CG 4.09Å |
| 198 | S | 87.6 | Confident | 90.1 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 26% | 0.259 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -1.2 | 179.2 | -61.4 | 0 | 0 | 0 | 0 | 114.2 | T194 M195 R196 R200 | T194-S198 WeakPolarHBondContact O-CB 3.4Å; T194-S198 PolarHBondContact O-N 3.47Å; T194-S198 PolarHBondContact O-OG 3.41Å; M195-S198 PolarHBondContact O-N 2.98Å; R196-S198 VanDerWaalsContact C-N 3.32Å; R196-S198 PolarHBondContact O-N 3.01Å; S198-R200 PolarHBondContact O-N 2.92Å |
| 199 | S | 85.3 | Confident | 90.2 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | trans | -63.2 | 121.7 | -179.8 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | D92 M195 R196 Y197 N202 | D92-S199 PolarHBondContact OD1-OG 3.29Å; M195-S199 PolarHBondContact O-N 3.45Å; R196-S199 WeakPolarHBondContact O-CB 3.24Å; R196-S199 PolarHBondContact O-N 3.17Å; Y197-S199 VanDerWaalsContact C-N 3.34Å; S199-N202 PolarHBondContact OG-N 3.01Å | ||
| 200 | R | 75.4 | Confident | 90.1 | Very high | 212 Ų | 212 | 56.2 Ų | 56.2 | 80% | 0.8 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -72.5 | -30.4 | 177.1 | -61 | -179 | 81.7 | 179.7 | 8.5 | 112.1 | S198 | S198-R200 PolarHBondContact O-N 2.92Š|
| 201 | R | 78 | Confident | 90.1 | Very high | 161 Ų | 161 | 56.4 Ų | 56.4 | 61% | 0.608 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -75.8 | -33.7 | -176.8 | -60.3 | -167.6 | 82.4 | 129.5 | 11.1 | 112.4 | E91 | E91-R201 IonicContact OE1-CZ 3.14Å; E91-R201 IonicContact OE1-NH1 2.78Å; E91-R201 PolarHBondContact OE1-NH1 3.24Å |
| 202 | N | 82.8 | Confident | 90.2 | Very high | 23 Ų | 23 | 51.6 Ų | 51.6 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | trans | -129.7 | 93.9 | -173.1 | -174.6 | -9.6 | 0 | 0 | 0 | 111.3 | R196 S199 R204 | R196-N202 PolarHBondContact NH2-ND2 3.4Å; R196-N202 VanDerWaalsContact NH2-ND2 3.14Å; S199-N202 PolarHBondContact OG-N 3.01Å; N202-R204 PolarHBondContact O-N 2.83Å; N202-R204 WeakPolarHBondContact OD1-CB 3.43Å; N202-R204 WeakPolarHBondContact OD1-CG 3.23Å; N202-R204 PolarHBondContact OD1-N 2.92Å; N202-R204 VanDerWaalsContact OD1-N 3.08Å | ||
| 203 | P | 88.4 | Confident | 90.3 | Very high | 40 Ų | 40 | 56.9 Ų | 56.9 | 26% | 0.26 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -0.1 | -178.5 | 32.2 | -36.5 | 0 | 0 | 0 | 113.5 | T205 R206 L207 | P203-T205 PolarHBondContact O-N 3.26Å; P203-R206 PolarHBondContact O-N 3.44Å; P203-L207 HydrophobicContact CB-CD1 4.31Å; P203-L207 HydrophobicContact CB-CG 4.46Å; P203-L207 HydrophobicContact CG-CD1 4.31Å; P203-L207 WeakPolarHBondContact O-CG 3.48Å; P203-L207 PolarHBondContact O-N 3.26Å |
| 204 | R | 90.1 | Very high | 90.4 | Very high | 69 Ų | 69 | 59 Ų | 59 | 26% | 0.26 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | -168.2 | -60.1 | -67 | 176.6 | -134.9 | 0.1 | 113.1 | Q155 L158 A162 N202 L207 A208 | Q155-R204 VanDerWaalsContact CD-CZ 3.41Å; L158-R204 HydrophobicContact CB-CG 4.43Å; A162-R204 HydrophobicContact CB-CB 4.25Å; N202-R204 PolarHBondContact O-N 2.83Å; N202-R204 WeakPolarHBondContact OD1-CB 3.43Å; N202-R204 WeakPolarHBondContact OD1-CG 3.23Å; N202-R204 PolarHBondContact OD1-N 2.92Å; N202-R204 VanDerWaalsContact OD1-N 3.08Å; R204-L207 PolarHBondContact O-N 3.42Å; R204-A208 VanDerWaalsContact O-CB 3.31Å; R204-A208 WeakPolarHBondContact O-CB 3.29Å; R204-A208 PolarHBondContact O-N 3.47Å |
| 205 | T | 92.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 175.3 | -52.2 | 0 | 0 | 0 | 0 | 110.6 | E165 I166 R196 P203 A208 F209 | E165-T205 PolarHBondContact OE2-OG1 3.38Å; I166-T205 HydrophobicContact CG1-CG2 4.38Å; R196-T205 HydrophobicContact CB-CG2 4.2Å; R196-T205 PolarHBondContact NH2-OG1 3.1Å; R196-T205 VanDerWaalsContact NH2-OG1 3.14Å; P203-T205 PolarHBondContact O-N 3.26Å; T205-A208 PolarHBondContact O-N 3.28Å; T205-F209 HydrophobicContact CG2-CD2 4.05Å; T205-F209 HydrophobicContact CG2-CE2 3.83Å; T205-F209 WeakPolarHBondContact O-CD2 3.4Å; T205-F209 PolarHBondContact O-N 3.38Å |
| 206 | R | 92.4 | Very high | 90.8 | Very high | 80 Ų | 80 | 62 Ų | 62 | 30% | 0.302 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 175.7 | -179.1 | 172 | 66.8 | -138.8 | 4.5 | 112.5 | Y197 P203 F209 Q210 | Y197-R206 HydrophobicContact CD2-CB 4.16Å; Y197-R206 HydrophobicContact CD2-CG 4.46Å; Y197-R206 HydrophobicContact CE1-CG 4.47Å; Y197-R206 HydrophobicContact CE2-CB 4.03Å; Y197-R206 HydrophobicContact CE2-CG 3.85Å; P203-R206 PolarHBondContact O-N 3.44Å; R206-F209 PolarHBondContact O-N 3.13Å; R206-Q210 WeakPolarHBondContact O-CG 3.43Å; R206-Q210 PolarHBondContact O-N 3.38Å |
| 207 | L | 93.1 | Very high | 91 | Very high | 51 Ų | 51 | 64.7 Ų | 64.7 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 176.5 | -68.8 | 171.2 | 0 | 0 | 0 | 111.2 | P203 R204 F209 Q210 E211 | P203-L207 HydrophobicContact CB-CD1 4.31Å; P203-L207 HydrophobicContact CB-CG 4.46Å; P203-L207 HydrophobicContact CG-CD1 4.31Å; P203-L207 WeakPolarHBondContact O-CG 3.48Å; P203-L207 PolarHBondContact O-N 3.26Å; R204-L207 PolarHBondContact O-N 3.42Å; L207-F209 VanDerWaalsContact C-N 3.35Å; L207-F209 PolarHBondContact O-N 2.95Å; L207-Q210 WeakPolarHBondContact O-CB 3.44Å; L207-Q210 PolarHBondContact O-N 3.47Å; L207-Q210 VanDerWaalsContact O-N 3.11Å; L207-E211 WeakPolarHBondContact O-CG 3.38Å; L207-E211 PolarHBondContact O-N 2.77Å |
| 208 | A | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A162 I166 R204 T205 Q210 E211 L212 | A162-A208 HydrophobicContact CB-CB 4.03Å; I166-A208 HydrophobicContact CD1-CB 3.65Å; R204-A208 VanDerWaalsContact O-CB 3.31Å; R204-A208 WeakPolarHBondContact O-CB 3.29Å; R204-A208 PolarHBondContact O-N 3.47Å; T205-A208 PolarHBondContact O-N 3.28Å; A208-Q210 VanDerWaalsContact C-N 3.35Å; A208-Q210 PolarHBondContact O-N 3.49Å; A208-E211 PolarHBondContact O-N 2.9Å; A208-L212 VanDerWaalsContact O-CB 3.3Å; A208-L212 WeakPolarHBondContact O-CB 3.22Å; A208-L212 WeakPolarHBondContact O-CG 3.5Å; A208-L212 PolarHBondContact O-N 2.92Å |
| 209 | F | 94.9 | Very high | 91.6 | Very high | 44 Ų | 44 | 71.6 Ų | 71.6 | 19% | 0.193 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 172.2 | -85.4 | -70.4 | 0 | 0 | 0 | 112.9 | I166 I193 Y197 T205 R206 L207 R213 V240 | I166-F209 HydrophobicContact CB-CZ 4.28Å; I166-F209 HydrophobicContact CD1-CD1 4.19Å; I166-F209 HydrophobicContact CD1-CD2 3.65Å; I166-F209 HydrophobicContact CD1-CE1 4.25Å; I166-F209 HydrophobicContact CD1-CE2 3.75Å; I166-F209 HydrophobicContact CD1-CG 3.9Å; I166-F209 HydrophobicContact CD1-CZ 4.05Å; I166-F209 HydrophobicContact CG1-CD2 4.04Å; I166-F209 HydrophobicContact CG1-CE1 4.15Å; I166-F209 HydrophobicContact CG1-CE2 3.57Å; I166-F209 HydrophobicContact CG1-CZ 3.63Å; I166-F209 HydrophobicContact CG2-CD1 4.33Å; I166-F209 HydrophobicContact CG2-CE1 3.68Å; I166-F209 HydrophobicContact CG2-CZ 3.85Å; I193-F209 HydrophobicContact CG2-CE2 3.87Å; I193-F209 HydrophobicContact CG2-CZ 3.84Å; Y197-F209 AromaticContact CD2-CD2 3.54Å; Y197-F209 HydrophobicContact CD2-CD2 3.54Å; Y197-F209 AromaticContact CD2-CE2 4Å; Y197-F209 HydrophobicContact CD2-CE2 4Å; Y197-F209 HydrophobicContact CD2-CG 4.29Å; Y197-F209 HydrophobicContact CE2-CB 4.12Å; Y197-F209 AromaticContact CE2-CD2 3.94Å; Y197-F209 HydrophobicContact CE2-CD2 3.94Å; Y197-F209 HydrophobicContact CE2-CG 4.26Å; T205-F209 HydrophobicContact CG2-CD2 4.05Å; T205-F209 HydrophobicContact CG2-CE2 3.83Å; T205-F209 WeakPolarHBondContact O-CD2 3.4Å; T205-F209 PolarHBondContact O-N 3.38Å; R206-F209 PolarHBondContact O-N 3.13Å; L207-F209 VanDerWaalsContact C-N 3.35Å; L207-F209 PolarHBondContact O-N 2.95Å; F209-R213 VanDerWaalsContact O-CB 3.32Å; F209-R213 WeakPolarHBondContact O-CB 3.18Å; F209-R213 PolarHBondContact O-N 3.45Å; F209-V240 HydrophobicContact CD1-CG1 4.14Å; F209-V240 HydrophobicContact CE1-CG1 4.15Å |
| 210 | Q | 94 | Very high | 92.1 | Very high | 104 Ų | 104 | 71.3 Ų | 71.3 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 177.4 | -70.9 | 172.1 | -16.6 | 0 | 0 | 111.7 | R206 L207 A208 R213 A214 | R206-Q210 WeakPolarHBondContact O-CG 3.43Å; R206-Q210 PolarHBondContact O-N 3.38Å; L207-Q210 WeakPolarHBondContact O-CB 3.44Å; L207-Q210 PolarHBondContact O-N 3.47Å; L207-Q210 VanDerWaalsContact O-N 3.11Å; A208-Q210 VanDerWaalsContact C-N 3.35Å; A208-Q210 PolarHBondContact O-N 3.49Å; Q210-R213 PolarHBondContact O-N 3.5Å; Q210-A214 WeakPolarHBondContact O-CB 3.26Å; Q210-A214 PolarHBondContact O-N 2.91Å |
| 211 | E | 95.3 | Very high | 93.1 | Very high | 88 Ų | 88 | 66.4 Ų | 66.4 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 177.8 | -71.5 | 173.2 | -152.7 | 0 | 0 | 111.9 | H159 L207 A208 R213 A214 T215 | H159-E211 IonicContact CE1-OE2 2.91Å; H159-E211 PolarHBondContact CE1-OE2 3.25Å; H159-E211 IonicContact ND1-OE2 2.78Å; H159-E211 IonicContact NE2-OE2 3.64Å; L207-E211 WeakPolarHBondContact O-CG 3.38Å; L207-E211 PolarHBondContact O-N 2.77Å; A208-E211 PolarHBondContact O-N 2.9Å; E211-R213 VanDerWaalsContact C-N 3.33Å; E211-R213 PolarHBondContact O-N 3.34Å; E211-A214 PolarHBondContact O-N 3.06Å; E211-T215 WeakPolarHBondContact O-CB 3.34Å; E211-T215 PolarHBondContact O-N 2.9Å; E211-T215 PolarHBondContact O-OG1 3.43Å |
| 212 | L | 95.2 | Very high | 93.9 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 30% | 0.298 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 174.3 | -75 | 170.9 | 0 | 0 | 0 | 111.4 | I166 F167 A208 T215 A216 | I166-L212 HydrophobicContact CD1-CD1 4.02Å; I166-L212 HydrophobicContact CG2-CD1 3.97Å; F167-L212 HydrophobicContact CE2-CD1 4.49Å; F167-L212 HydrophobicContact CE2-CD2 4.26Å; F167-L212 HydrophobicContact CZ-CD1 4.34Å; F167-L212 HydrophobicContact CZ-CD2 3.87Å; A208-L212 VanDerWaalsContact O-CB 3.3Å; A208-L212 WeakPolarHBondContact O-CB 3.22Å; A208-L212 WeakPolarHBondContact O-CG 3.5Å; A208-L212 PolarHBondContact O-N 2.92Å; L212-T215 PolarHBondContact O-N 2.96Å; L212-A216 VanDerWaalsContact O-CB 3.29Å; L212-A216 WeakPolarHBondContact O-CB 3.39Å; L212-A216 PolarHBondContact O-N 2.82Å |
| 213 | R | 95.8 | Very high | 94.4 | Very high | 112 Ų | 112 | 73.7 Ų | 73.7 | 42% | 0.423 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.9 | -49.5 | 175.4 | 177.3 | 178.2 | 168.2 | -176.2 | -9.8 | 111.4 | F209 Q210 E211 T215 A216 E217 I237 N241 | F209-R213 VanDerWaalsContact O-CB 3.32Å; F209-R213 WeakPolarHBondContact O-CB 3.18Å; F209-R213 PolarHBondContact O-N 3.45Å; Q210-R213 PolarHBondContact O-N 3.5Å; E211-R213 VanDerWaalsContact C-N 3.33Å; E211-R213 PolarHBondContact O-N 3.34Å; R213-T215 VanDerWaalsContact C-N 3.28Å; R213-T215 PolarHBondContact O-N 2.88Å; R213-A216 PolarHBondContact O-N 3.43Å; R213-E217 HydrophobicContact CG-CG 4.41Å; R213-E217 IonicContact CZ-OE1 3.51Å; R213-E217 IonicContact NE-OE1 3.99Å; R213-E217 PolarHBondContact NE-OE1 3.36Å; R213-E217 IonicContact NH2-OE1 3.42Å; R213-E217 PolarHBondContact NH2-OE1 3.31Å; R213-E217 VanDerWaalsContact NH2-OE1 3.14Å; R213-E217 WeakPolarHBondContact O-CG 3.32Å; R213-E217 PolarHBondContact O-N 3.2Å; R213-I237 HydrophobicContact CG-CG2 4.29Å; R213-N241 PolarHBondContact NH1-ND2 3.38Å; R213-N241 PolarHBondContact NH1-OD1 2.78Å |
| 214 | A | 96.4 | Very high | 94.7 | Very high | 55 Ų | 55 | 75.6 Ų | 75.6 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q210 E211 E217 Y218 | Q210-A214 WeakPolarHBondContact O-CB 3.26Å; Q210-A214 PolarHBondContact O-N 2.91Å; E211-A214 PolarHBondContact O-N 3.06Å; A214-E217 PolarHBondContact O-N 3.44Å; A214-Y218 WeakPolarHBondContact O-CB 3.29Å; A214-Y218 PolarHBondContact O-N 3.48Å |
| 215 | T | 95.9 | Very high | 94.9 | Very high | 85 Ų | 85 | 72.9 Ų | 72.9 | 52% | 0.521 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 175.8 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | E211 L212 R213 Y218 V219 | E211-T215 WeakPolarHBondContact O-CB 3.34Å; E211-T215 PolarHBondContact O-N 2.9Å; E211-T215 PolarHBondContact O-OG1 3.43Å; L212-T215 PolarHBondContact O-N 2.96Å; R213-T215 VanDerWaalsContact C-N 3.28Å; R213-T215 PolarHBondContact O-N 2.88Å; T215-Y218 PolarHBondContact O-N 2.97Å; T215-V219 WeakPolarHBondContact O-CG2 3.47Å; T215-V219 PolarHBondContact O-N 3.29Å |
| 216 | A | 95.8 | Very high | 95 | Very high | 29 Ų | 29 | 76.6 Ų | 76.6 | 24% | 0.24 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L212 R213 V219 A220 I233 I237 | L212-A216 VanDerWaalsContact O-CB 3.29Å; L212-A216 WeakPolarHBondContact O-CB 3.39Å; L212-A216 PolarHBondContact O-N 2.82Å; R213-A216 PolarHBondContact O-N 3.43Å; A216-V219 PolarHBondContact O-N 3Å; A216-A220 WeakPolarHBondContact O-CB 3.39Å; A216-A220 PolarHBondContact O-N 3.31Å; A216-I233 HydrophobicContact CB-CG2 3.87Å; A216-I233 WeakPolarHBondContact O-CG2 3.31Å; A216-I237 HydrophobicContact CB-CD1 3.96Å; A216-I237 HydrophobicContact CB-CG1 4.24Å |
| 217 | E | 96.8 | Very high | 95.1 | Very high | 59 Ų | 59 | 76.5 Ų | 76.5 | 28% | 0.276 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 175.1 | -71.3 | 175.8 | 177.7 | 0 | 0 | 111.7 | R213 A214 A220 N221 I237 | R213-E217 HydrophobicContact CG-CG 4.41Å; R213-E217 IonicContact CZ-OE1 3.51Å; R213-E217 IonicContact NE-OE1 3.99Å; R213-E217 PolarHBondContact NE-OE1 3.36Å; R213-E217 IonicContact NH2-OE1 3.42Å; R213-E217 PolarHBondContact NH2-OE1 3.31Å; R213-E217 VanDerWaalsContact NH2-OE1 3.14Å; R213-E217 WeakPolarHBondContact O-CG 3.32Å; R213-E217 PolarHBondContact O-N 3.2Å; A214-E217 PolarHBondContact O-N 3.44Å; E217-A220 PolarHBondContact O-N 3.03Å; E217-N221 VanDerWaalsContact O-CB 3.32Å; E217-N221 WeakPolarHBondContact O-CB 3.4Å; E217-N221 PolarHBondContact O-N 3.45Å; E217-N221 PolarHBondContact O-ND2 3.03Å; E217-I237 HydrophobicContact CG-CD1 3.71Å |
| 218 | Y | 96.5 | Very high | 95.2 | Very high | 162 Ų | 162 | 80.7 Ų | 80.7 | 64% | 0.635 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.5 | -47.4 | 174.8 | 177.3 | -98.9 | 0 | 0 | 0 | 111.9 | A214 T215 N221 H222 | A214-Y218 WeakPolarHBondContact O-CB 3.29Å; A214-Y218 PolarHBondContact O-N 3.48Å; T215-Y218 PolarHBondContact O-N 2.97Å; Y218-N221 PolarHBondContact O-N 3.07Å; Y218-H222 PolarHBondContact O-N 3.02Å; Y218-H222 VanDerWaalsContact O-N 3.1Å |
| 219 | V | 95.3 | Very high | 95.2 | Very high | 66 Ų | 66 | 84.7 Ų | 84.7 | 40% | 0.4 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 177.3 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | T215 A216 N221 H222 C225 I233 | T215-V219 WeakPolarHBondContact O-CG2 3.47Å; T215-V219 PolarHBondContact O-N 3.29Å; A216-V219 PolarHBondContact O-N 3Å; V219-N221 VanDerWaalsContact C-N 3.32Å; V219-N221 PolarHBondContact O-N 3.33Å; V219-H222 WeakPolarHBondContact O-CB 3.24Å; V219-H222 PolarHBondContact O-N 2.88Å; V219-C225 WeakPolarHBondContact O-CB 3.32Å; V219-I233 HydrophobicContact CB-CD1 4.46Å; V219-I233 HydrophobicContact CG1-CD1 3.9Å |
| 220 | A | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 86.5 Ų | 86.5 | 0% | 0 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A216 E217 H222 R230 I233 Y234 | A216-A220 WeakPolarHBondContact O-CB 3.39Å; A216-A220 PolarHBondContact O-N 3.31Å; E217-A220 PolarHBondContact O-N 3.03Å; A220-H222 VanDerWaalsContact C-N 3.32Å; A220-R230 HydrophobicContact CB-CG 4.25Å; A220-R230 WeakPolarHBondContact O-CG 3.35Å; A220-R230 PolarHBondContact O-NE 3.41Å; A220-I233 HydrophobicContact CB-CB 4.17Å; A220-I233 HydrophobicContact CB-CD1 4.15Å; A220-I233 HydrophobicContact CB-CG2 3.86Å; A220-Y234 HydrophobicContact CB-CD2 4.47Å; A220-Y234 HydrophobicContact CB-CE1 4.26Å; A220-Y234 HydrophobicContact CB-CE2 3.91Å |
| 221 | N | 95.7 | Very high | 95.3 | Very high | 108 Ų | 108 | 88.6 Ų | 88.6 | 58% | 0.578 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -79.6 | -11.6 | 178.6 | -75.1 | -43.9 | 0 | 0 | 0 | 113.8 | E217 Y218 V219 R223 Y234 | E217-N221 VanDerWaalsContact O-CB 3.32Å; E217-N221 WeakPolarHBondContact O-CB 3.4Å; E217-N221 PolarHBondContact O-N 3.45Å; E217-N221 PolarHBondContact O-ND2 3.03Å; Y218-N221 PolarHBondContact O-N 3.07Å; V219-N221 VanDerWaalsContact C-N 3.32Å; V219-N221 PolarHBondContact O-N 3.33Å; N221-R223 PolarHBondContact O-N 3.43Å; N221-Y234 PolarHBondContact OD1-OH 2.94Å |
| 222 | H | 95.5 | Very high | 95.4 | Very high | 93 Ų | 93 | 87.1 Ų | 87.1 | 43% | 0.431 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -63.4 | 136.8 | 179.3 | -163.4 | -90.1 | 0 | 0 | 0 | 111.1 | Y218 V219 A220 A224 C225 R230 | Y218-H222 PolarHBondContact O-N 3.02Å; Y218-H222 VanDerWaalsContact O-N 3.1Å; V219-H222 WeakPolarHBondContact O-CB 3.24Å; V219-H222 PolarHBondContact O-N 2.88Å; A220-H222 VanDerWaalsContact C-N 3.32Å; H222-A224 WeakPolarHBondContact ND1-CB 3.35Å; H222-A224 PolarHBondContact ND1-N 3.02Å; H222-A224 PolarHBondContact O-N 2.73Å; H222-C225 WeakPolarHBondContact O-CB 3.39Å; H222-C225 PolarHBondContact O-N 2.99Å; H222-R230 PolarHBondContact O-NH2 3.46Å |
| 223 | R | 93.3 | Very high | 95.4 | Very high | 245 Ų | 245 | 85.6 Ų | 85.6 | 93% | 0.925 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -34.5 | -175.5 | -65.8 | -175.8 | -179.2 | -172.4 | 0.5 | 112.9 | N221 C225 | N221-R223 PolarHBondContact O-N 3.43Å; R223-C225 VanDerWaalsContact C-N 3.25Å; R223-C225 PolarHBondContact O-N 3.05Å |
| 224 | A | 94.8 | Very high | 95.5 | Very high | 79 Ų | 79 | 84.4 Ų | 84.4 | 65% | 0.653 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -4.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H222 P226 | H222-A224 WeakPolarHBondContact ND1-CB 3.35Å; H222-A224 PolarHBondContact ND1-N 3.02Å; H222-A224 PolarHBondContact O-N 2.73Å; A224-P226 VanDerWaalsContact O-CD 3.31Å; A224-P226 WeakPolarHBondContact O-CD 3.36Å |
| 225 | C | 93.2 | Very high | 95.5 | Very high | 13 Ų | 13 | 87.4 Ų | 87.4 | 9% | 0.088 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -74.6 | 120.8 | -177.4 | -172.7 | 0 | 0 | 0 | 0 | 110.8 | V219 H222 R223 R230 | V219-C225 WeakPolarHBondContact O-CB 3.32Å; H222-C225 WeakPolarHBondContact O-CB 3.39Å; H222-C225 PolarHBondContact O-N 2.99Å; R223-C225 VanDerWaalsContact C-N 3.25Å; R223-C225 PolarHBondContact O-N 3.05Å; C225-R230 PolarHBondContact O-NH2 3.45Å |
| 226 | P | 95.3 | Very high | 95.4 | Very high | 78 Ų | 78 | 88.4 Ų | 88.4 | 51% | 0.506 | 45% | 0.45 | S | S | . | . | trans | -59.8 | 148.3 | 176.2 | -23.9 | 34.8 | 0 | 0 | 0 | 112.1 | A224 L228 L229 R230 | A224-P226 VanDerWaalsContact O-CD 3.31Å; A224-P226 WeakPolarHBondContact O-CD 3.36Å; P226-L228 VanDerWaalsContact C-N 3.29Å; P226-L228 PolarHBondContact O-N 3.42Å; P226-L229 HydrophobicContact CB-CB 4.47Å; P226-L229 PolarHBondContact O-N 2.97Å; P226-L229 VanDerWaalsContact O-N 3.14Å; P226-R230 PolarHBondContact O-N 3.06Å | ||
| 227 | S | 93.8 | Very high | 95.4 | Very high | 79 Ų | 79 | 87.9 Ų | 87.9 | 55% | 0.552 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -58.8 | -37.8 | -176.2 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | K231 | S227-K231 WeakPolarHBondContact O-CG 3.38Å; S227-K231 PolarHBondContact O-N 2.95Å; S227-K231 VanDerWaalsContact O-N 3.09Å |
| 228 | L | 94.9 | Very high | 95.3 | Very high | 138 Ų | 138 | 93.4 Ų | 93.4 | 72% | 0.723 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.4 | -46.2 | 176.8 | -173.6 | 68.9 | 0 | 0 | 0 | 111.6 | P226 K231 A232 | P226-L228 VanDerWaalsContact C-N 3.29Å; P226-L228 PolarHBondContact O-N 3.42Å; L228-K231 PolarHBondContact O-N 3.3Å; L228-A232 PolarHBondContact O-N 3.23Å |
| 229 | L | 94.8 | Very high | 95.2 | Very high | 85 Ų | 85 | 90 Ų | 90 | 45% | 0.445 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 179.4 | -178.6 | 61 | 0 | 0 | 0 | 111 | P226 K231 A232 I233 | P226-L229 HydrophobicContact CB-CB 4.47Å; P226-L229 PolarHBondContact O-N 2.97Å; P226-L229 VanDerWaalsContact O-N 3.14Å; L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 3.15Å; L229-A232 PolarHBondContact O-N 3.45Å; L229-A232 VanDerWaalsContact O-N 3.17Å; L229-I233 HydrophobicContact CD1-CD1 4.22Å; L229-I233 HydrophobicContact CD1-CG1 4.3Å; L229-I233 HydrophobicContact CG-CD1 3.92Å; L229-I233 HydrophobicContact CG-CG1 4.44Å; L229-I233 WeakPolarHBondContact O-CG1 3.33Å; L229-I233 PolarHBondContact O-N 3.03Å |
| 230 | R | 96.3 | Very high | 95 | Very high | 82 Ų | 82 | 89.5 Ų | 89.5 | 31% | 0.309 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -55 | -47.5 | 174.3 | -176.3 | -179.7 | -60.8 | 119.7 | 9.8 | 111.7 | A220 H222 C225 P226 I233 Y234 | A220-R230 HydrophobicContact CB-CG 4.25Å; A220-R230 WeakPolarHBondContact O-CG 3.35Å; A220-R230 PolarHBondContact O-NE 3.41Å; H222-R230 PolarHBondContact O-NH2 3.46Å; C225-R230 PolarHBondContact O-NH2 3.45Å; P226-R230 PolarHBondContact O-N 3.06Å; R230-I233 PolarHBondContact O-N 2.85Å; R230-Y234 HydrophobicContact CG-CD2 3.85Å; R230-Y234 HydrophobicContact CG-CE2 3.54Å; R230-Y234 WeakPolarHBondContact O-CD2 3.45Å; R230-Y234 PolarHBondContact O-N 3.48Å; R230-Y234 VanDerWaalsContact O-N 3.11Å |
| 231 | K | 96 | Very high | 94.9 | Very high | 148 Ų | 148 | 92.9 Ų | 92.9 | 64% | 0.643 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 176.4 | -73.6 | 177.4 | -177.9 | -177.5 | 0 | 111.5 | S227 L228 L229 I233 Y234 Q235 | S227-K231 WeakPolarHBondContact O-CG 3.38Å; S227-K231 PolarHBondContact O-N 2.95Å; S227-K231 VanDerWaalsContact O-N 3.09Å; L228-K231 PolarHBondContact O-N 3.3Å; L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 3.15Å; K231-I233 PolarHBondContact O-N 2.92Å; K231-Y234 PolarHBondContact O-N 3.15Å; K231-Q235 VanDerWaalsContact O-CG 3.29Å; K231-Q235 WeakPolarHBondContact O-CG 3.44Å; K231-Q235 PolarHBondContact O-N 2.87Å |
| 232 | A | 96 | Very high | 94.7 | Very high | 57 Ų | 57 | 97.1 Ų | 97.1 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L228 L229 Q235 L236 | L228-A232 PolarHBondContact O-N 3.23Å; L229-A232 PolarHBondContact O-N 3.45Å; L229-A232 VanDerWaalsContact O-N 3.17Å; A232-Q235 PolarHBondContact O-N 3.27Å; A232-L236 PolarHBondContact O-N 3.3Å |
| 233 | I | 96.3 | Very high | 94.5 | Very high | 24 Ų | 24 | 95.5 Ų | 95.5 | 12% | 0.123 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 177.7 | -67.7 | 166.1 | 0 | 0 | 0 | 111 | A216 V219 A220 L229 R230 K231 Q235 L236 I237 | A216-I233 HydrophobicContact CB-CG2 3.87Å; A216-I233 WeakPolarHBondContact O-CG2 3.31Å; V219-I233 HydrophobicContact CB-CD1 4.46Å; V219-I233 HydrophobicContact CG1-CD1 3.9Å; A220-I233 HydrophobicContact CB-CB 4.17Å; A220-I233 HydrophobicContact CB-CD1 4.15Å; A220-I233 HydrophobicContact CB-CG2 3.86Å; L229-I233 HydrophobicContact CD1-CD1 4.22Å; L229-I233 HydrophobicContact CD1-CG1 4.3Å; L229-I233 HydrophobicContact CG-CD1 3.92Å; L229-I233 HydrophobicContact CG-CG1 4.44Å; L229-I233 WeakPolarHBondContact O-CG1 3.33Å; L229-I233 PolarHBondContact O-N 3.03Å; R230-I233 PolarHBondContact O-N 2.85Å; K231-I233 PolarHBondContact O-N 2.92Å; I233-Q235 VanDerWaalsContact C-N 3.32Å; I233-Q235 PolarHBondContact O-N 3.24Å; I233-L236 WeakPolarHBondContact O-CB 3.5Å; I233-L236 PolarHBondContact O-N 3.33Å; I233-I237 HydrophobicContact CG2-CD1 3.74Å; I233-I237 HydrophobicContact CG2-CG1 4.38Å; I233-I237 WeakPolarHBondContact O-CG1 3.29Å; I233-I237 PolarHBondContact O-N 2.84Å |
| 234 | Y | 97.2 | Very high | 94.3 | Very high | 87 Ų | 87 | 85.7 Ų | 85.7 | 34% | 0.341 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.1 | -33.9 | 179.5 | -74.3 | -55.3 | 0 | 0 | 0 | 113.3 | A220 N221 R230 K231 I237 R238 | A220-Y234 HydrophobicContact CB-CD2 4.47Å; A220-Y234 HydrophobicContact CB-CE1 4.26Å; A220-Y234 HydrophobicContact CB-CE2 3.91Å; N221-Y234 PolarHBondContact OD1-OH 2.94Å; R230-Y234 HydrophobicContact CG-CD2 3.85Å; R230-Y234 HydrophobicContact CG-CE2 3.54Å; R230-Y234 WeakPolarHBondContact O-CD2 3.45Å; R230-Y234 PolarHBondContact O-N 3.48Å; R230-Y234 VanDerWaalsContact O-N 3.11Å; K231-Y234 PolarHBondContact O-N 3.15Å; Y234-I237 HydrophobicContact CD1-CD1 4.11Å; Y234-I237 PolarHBondContact O-N 2.89Å; Y234-R238 WeakPolarHBondContact O-CB 3.35Å; Y234-R238 PolarHBondContact O-N 2.88Å |
| 235 | Q | 96.2 | Very high | 93.9 | Very high | 118 Ų | 118 | 83.1 Ų | 83.1 | 55% | 0.551 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.9 | -41.2 | 173 | -70.3 | -65.8 | -4.1 | 0 | 0 | 111.5 | K231 A232 I233 R238 L239 | K231-Q235 VanDerWaalsContact O-CG 3.29Å; K231-Q235 WeakPolarHBondContact O-CG 3.44Å; K231-Q235 PolarHBondContact O-N 2.87Å; A232-Q235 PolarHBondContact O-N 3.27Å; I233-Q235 VanDerWaalsContact C-N 3.32Å; I233-Q235 PolarHBondContact O-N 3.24Å; Q235-R238 PolarHBondContact O-N 2.97Å; Q235-L239 WeakPolarHBondContact O-CB 3.36Å; Q235-L239 PolarHBondContact O-N 3.25Å |
| 236 | L | 94.2 | Very high | 93.2 | Very high | 107 Ų | 107 | 87.5 Ų | 87.5 | 56% | 0.56 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.3 | -45.7 | 174.8 | -178.2 | 63.8 | 0 | 0 | 0 | 111.6 | A232 I233 R238 L239 V240 | A232-L236 PolarHBondContact O-N 3.3Å; I233-L236 WeakPolarHBondContact O-CB 3.5Å; I233-L236 PolarHBondContact O-N 3.33Å; L236-R238 VanDerWaalsContact C-N 3.3Å; L236-R238 PolarHBondContact O-N 3.26Å; L236-L239 PolarHBondContact O-N 3.38Å; L236-V240 HydrophobicContact CD1-CG2 4.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.39Å; L236-V240 PolarHBondContact O-N 3.07Å |
| 237 | I | 95.1 | Very high | 92 | Very high | 17 Ų | 17 | 88.3 Ų | 88.3 | 9% | 0.087 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 175.7 | -68.8 | 164.6 | 0 | 0 | 0 | 110.3 | R213 A216 E217 I233 Y234 L239 V240 N241 | R213-I237 HydrophobicContact CG-CG2 4.29Å; A216-I237 HydrophobicContact CB-CD1 3.96Å; A216-I237 HydrophobicContact CB-CG1 4.24Å; E217-I237 HydrophobicContact CG-CD1 3.71Å; I233-I237 HydrophobicContact CG2-CD1 3.74Å; I233-I237 HydrophobicContact CG2-CG1 4.38Å; I233-I237 WeakPolarHBondContact O-CG1 3.29Å; I233-I237 PolarHBondContact O-N 2.84Å; Y234-I237 HydrophobicContact CD1-CD1 4.11Å; Y234-I237 PolarHBondContact O-N 2.89Å; I237-L239 PolarHBondContact O-N 2.87Å; I237-V240 PolarHBondContact O-N 3.29Å; I237-N241 WeakPolarHBondContact CG2-ND2 3.38Å; I237-N241 WeakPolarHBondContact O-CB 3.15Å; I237-N241 VanDerWaalsContact O-CG 3.24Å; I237-N241 PolarHBondContact O-N 3.45Å; I237-N241 PolarHBondContact O-ND2 3.39Å |
| 238 | R | 95.1 | Very high | 90.6 | Very high | 176 Ų | 176 | 88.2 Ų | 88.2 | 66% | 0.664 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.9 | -44.9 | 177.5 | -175.2 | -179.5 | -178.7 | -176.5 | 1.4 | 111.5 | Y234 Q235 L236 N241 W242 | Y234-R238 WeakPolarHBondContact O-CB 3.35Å; Y234-R238 PolarHBondContact O-N 2.88Å; Q235-R238 PolarHBondContact O-N 2.97Å; L236-R238 VanDerWaalsContact C-N 3.3Å; L236-R238 PolarHBondContact O-N 3.26Å; R238-N241 PolarHBondContact O-N 3.29Å; R238-W242 WeakPolarHBondContact O-CB 3.48Å; R238-W242 PolarHBondContact O-N 3.12Å |
| 239 | L | 93.6 | Very high | 88.4 | Confident | 91 Ų | 91 | 92.2 Ų | 92.2 | 48% | 0.476 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.8 | -48 | 177.6 | -179.9 | 66.6 | 0 | 0 | 0 | 111.4 | Q235 L236 I237 N241 W242 L243 | Q235-L239 WeakPolarHBondContact O-CB 3.36Å; Q235-L239 PolarHBondContact O-N 3.25Å; L236-L239 PolarHBondContact O-N 3.38Å; I237-L239 PolarHBondContact O-N 2.87Å; L239-N241 PolarHBondContact O-N 2.76Å; L239-W242 HydrophobicContact CD1-CE3 4.31Å; L239-W242 WeakPolarHBondContact O-CB 3.47Å; L239-W242 PolarHBondContact O-N 3.34Å; L239-L243 HydrophobicContact CD1-CD1 4.39Å; L239-L243 HydrophobicContact CG-CD1 4.22Å; L239-L243 WeakPolarHBondContact O-CG 3.4Å; L239-L243 PolarHBondContact O-N 2.93Å |
| 240 | V | 93.1 | Very high | 88.1 | Confident | 55 Ų | 55 | 92.6 Ų | 92.6 | 33% | 0.333 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 179.2 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | F209 L236 I237 W242 L243 A244 | F209-V240 HydrophobicContact CD1-CG1 4.14Å; F209-V240 HydrophobicContact CE1-CG1 4.15Å; L236-V240 HydrophobicContact CD1-CG2 4.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.39Å; L236-V240 PolarHBondContact O-N 3.07Å; I237-V240 PolarHBondContact O-N 3.29Å; V240-W242 VanDerWaalsContact C-N 3.3Å; V240-W242 PolarHBondContact O-N 3.39Å; V240-L243 CarbonylContact O-C 3.54Å; V240-L243 PolarHBondContact O-N 3.18Å; V240-A244 PolarHBondContact O-N 3.36Å |
| 241 | N | 91.8 | Very high | 87.7 | Confident | 70 Ų | 70 | 93.1 Ų | 93.1 | 37% | 0.374 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.6 | -34.8 | 175.7 | -73.6 | -26.8 | 0 | 0 | 0 | 112.1 | R213 I237 R238 L239 L243 A244 | R213-N241 PolarHBondContact NH1-ND2 3.38Å; R213-N241 PolarHBondContact NH1-OD1 2.78Å; I237-N241 WeakPolarHBondContact CG2-ND2 3.38Å; I237-N241 WeakPolarHBondContact O-CB 3.15Å; I237-N241 VanDerWaalsContact O-CG 3.24Å; I237-N241 PolarHBondContact O-N 3.45Å; I237-N241 PolarHBondContact O-ND2 3.39Å; R238-N241 PolarHBondContact O-N 3.29Å; L239-N241 PolarHBondContact O-N 2.76Å; N241-L243 VanDerWaalsContact C-N 3.34Å; N241-A244 WeakPolarHBondContact O-CB 3.22Å; N241-A244 PolarHBondContact O-N 3.28Å |
| 242 | W | 91.8 | Very high | 87.2 | Confident | 198 Ų | 198 | 90.1 Ų | 90.1 | 75% | 0.75 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.7 | -34.2 | 175.4 | 179.2 | 75.9 | 0 | 0 | 0 | 112.3 | R238 L239 V240 A244 | R238-W242 WeakPolarHBondContact O-CB 3.48Å; R238-W242 PolarHBondContact O-N 3.12Å; L239-W242 HydrophobicContact CD1-CE3 4.31Å; L239-W242 WeakPolarHBondContact O-CB 3.47Å; L239-W242 PolarHBondContact O-N 3.34Å; V240-W242 VanDerWaalsContact C-N 3.3Å; V240-W242 PolarHBondContact O-N 3.39Å; W242-A244 VanDerWaalsContact C-N 3.32Å |
| 243 | L | 91.5 | Very high | 86.7 | Confident | 58 Ų | 58 | 92 Ų | 92 | 30% | 0.304 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -81 | -8.4 | 174.3 | -68.2 | 173.5 | 0 | 0 | 0 | 113.6 | Y190 L239 V240 N241 | Y190-L243 HydrophobicContact CE2-CB 4.11Å; Y190-L243 HydrophobicContact CE2-CD2 4.31Å; Y190-L243 PolarHBondContact OH-O 3.02Å; L239-L243 HydrophobicContact CD1-CD1 4.39Å; L239-L243 HydrophobicContact CG-CD1 4.22Å; L239-L243 WeakPolarHBondContact O-CG 3.4Å; L239-L243 PolarHBondContact O-N 2.93Å; V240-L243 CarbonylContact O-C 3.54Å; V240-L243 PolarHBondContact O-N 3.18Å; N241-L243 VanDerWaalsContact C-N 3.34Å |
| 244 | A | 89 | Confident | 86.1 | Confident | 40 Ų | 40 | 96.3 Ų | 96.3 | 33% | 0.331 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -71.4 | 135.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V240 N241 W242 | V240-A244 PolarHBondContact O-N 3.36Å; N241-A244 WeakPolarHBondContact O-CB 3.22Å; N241-A244 PolarHBondContact O-N 3.28Å; W242-A244 VanDerWaalsContact C-N 3.32Å |
| 245 | P | 86.2 | Confident | 85.4 | Confident | 24 Ų | 24 | 96.9 Ų | 96.9 | 16% | 0.156 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 156.4 | 172.1 | 29 | -34.7 | 0 | 0 | 0 | 110.5 | T194 Y197 | T194-P245 HydrophobicContact CG2-CB 3.72Å; T194-P245 HydrophobicContact CG2-CG 3.84Å; Y197-P245 HydrophobicContact CD1-CG 3.29Å; Y197-P245 HydrophobicContact CE1-CG 3.77Å; Y197-P245 HydrophobicContact CG-CG 4.09Å |
| 246 | P | 79.8 | Confident | 84.6 | Confident | 105 Ų | 105 | 95.4 Ų | 95.4 | 68% | 0.682 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 146 | 175.1 | 25.4 | -33.9 | 0 | 0 | 0 | 110.3 | V248 | P246-V248 PolarHBondContact O-N 3.32Š|
| 247 | P | 69.6 | Low | 83.9 | Confident | 95 Ų | 95 | 94.5 Ų | 94.5 | 62% | 0.617 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 128.7 | 177.8 | 24.2 | -32.1 | 0 | 0 | 0 | 109.8 | H249 | P247-H249 PolarHBondContact O-N 3.35Š|
| 248 | V | 63.4 | Low | 82.9 | Confident | 78 Ų | 78 | 100.9 Ų | 100.9 | 47% | 0.473 | 52% | 0.515 | S | S | . | . | trans | -75.9 | 105.6 | 172 | -171.6 | 0 | 0 | 0 | 0 | 106.8 | P246 | P246-V248 PolarHBondContact O-N 3.32Š| ||
| 249 | H | 50.7 | Low | 81.8 | Confident | 221 Ų | 221 | 94.1 Ų | 94.1 | 100% | 1.023 | 50% | 0.502 | S | S | * | . | trans | -70.3 | 0 | 173 | -67.2 | -64.3 | 0 | 0 | 0 | 111.7 | P247 | P247-H249 PolarHBondContact O-N 3.35Š|
Retrieved 249 of 249 residues in 829.1 ms
(Link to these results)