| 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 | 31.8 | Very low | 34.7 | Very low | 220 Ų | 220 | 132.9 Ų | 132.9 | 100% | 1.084 | 81% | 0.808 | S | S | * | * | 0 | 68.1 | 0 | -65 | 169.2 | -178.4 | 0 | 0 | 107.5 | |||||
| 2 | D | 32.8 | Very low | 34 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | cis | 96.4 | 134.2 | 46.7 | -56.5 | -22.3 | 0 | 0 | 0 | 109.4 | ||||
| 3 | T | 32.1 | Very low | 33.5 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | cis | -157.8 | 164.2 | 7.8 | -2.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 4 | L | 33.2 | Very low | 33 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -103.7 | -176.2 | 163.5 | -85.9 | 169.3 | 0 | 0 | 0 | 110.2 | ||||
| 5 | P | 58 | Low | 32.6 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | cis | -110 | -97.2 | -14.7 | 20 | 4.6 | 0 | 0 | 0 | 111.3 | ||||
| 6 | P | 48 | Very low | 33.2 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | cis | -99.4 | -162.1 | -7.2 | 42.1 | -34.9 | 0 | 0 | 0 | 113.4 | ||||
| 7 | S | 32.4 | Very low | 32.9 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -160 | 145.1 | -177.8 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 8 | S | 30.6 | Very low | 32.7 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -170.2 | 171.3 | 169.9 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 9 | S | 28.7 | Very low | 32.6 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | -178.9 | 120.7 | -61.8 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 10 | V | 28 | Very low | 32.4 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | 41.4 | 129.9 | 154.8 | -137 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 11 | S | 26.1 | Very low | 32.3 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | -176.6 | 158.7 | 63.8 | -49.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 12 | T | 26.8 | Very low | 32.1 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | trans | -33.1 | 143.2 | 168.6 | 50.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 13 | T | 27 | Very low | 31.9 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | 166 | 155.5 | 128.2 | 36.4 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 14 | S | 27.1 | Very low | 31.8 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | cis | -155.3 | 171.6 | -12.1 | 49.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 15 | E | 27 | Very low | 32 | Very low | 184 Ų | 184 | 130.5 Ų | 130.5 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -73.2 | -176.1 | -174.7 | -37.3 | 174.7 | 90.6 | 0 | 0 | 115 | ||||
| 16 | P | 41.7 | Very low | 30.8 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | cis | -133.4 | 170.6 | -11.5 | 39.6 | -24.1 | 0 | 0 | 0 | 115.3 | ||||
| 17 | E | 28.9 | Very low | 29.9 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | -170.8 | 140.7 | 124.6 | -111.2 | -171.5 | 157.8 | 0 | 0 | 114.9 | |||||
| 18 | N | 27.9 | Very low | 30 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | 33.1 | 135.7 | 163.2 | -94.8 | -39.3 | 0 | 0 | 0 | 123.4 | ||||
| 19 | A | 30.9 | Very low | 30.2 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -108.7 | 146 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 20 | S | 28.8 | Very low | 30.3 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | -171.4 | 134.9 | 121.8 | 29.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 21 | L | 31.2 | Very low | 30.8 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | 54.6 | 71.2 | 155.4 | -63.7 | 168 | 0 | 0 | 0 | 118.3 | ||||
| 22 | A | 26.7 | Very low | 31.3 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 127.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 23 | W | 28 | Very low | 32.1 | Very low | 234 Ų | 234 | 134.1 Ų | 134.1 | 89% | 0.886 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -96 | 126.2 | 160.8 | -72.1 | 92.7 | 0 | 0 | 0 | 108.6 | ||
| 24 | P | 30.5 | Very low | 33 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -76 | 137.3 | 173.4 | 30.7 | -32.8 | 0 | 0 | 0 | 110.8 | ||
| 25 | P | 38 | Very low | 34.1 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | -76.3 | -178.3 | 167.3 | 34.1 | -35.3 | 0 | 0 | 0 | 111.7 | ||||
| 26 | D | 31.6 | Very low | 35.4 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | 66.6 | 50.5 | 164.9 | -55.6 | -23.7 | 0 | 0 | 0 | 117.8 | T28 | D26-T28 PolarHBondContact O-N 2.82Š| ||
| 27 | A | 30.6 | Very low | 36.4 | Very low | 99 Ų | 99 | 125 Ų | 125 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -73.5 | 110.2 | 142.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | L29 | A27-L29 PolarHBondContact O-N 3.14Å; A27-L29 VanDerWaalsContact O-N 3.1Å | ||
| 28 | T | 34.6 | Very low | 37.9 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -62 | 113 | -179.4 | 43.3 | 0 | 0 | 0 | 0 | 111 | D26 G30 | D26-T28 PolarHBondContact O-N 2.82Å; T28-G30 VanDerWaalsContact C-N 3.26Å; T28-G30 PolarHBondContact O-N 3.31Å | ||
| 29 | L | 32.9 | Very low | 39.6 | Very low | 174 Ų | 174 | 118.2 Ų | 118.2 | 91% | 0.911 | 74% | 0.739 | S | S | * | * | trans | -71.9 | 84.5 | 175.7 | -165.4 | 78.2 | 0 | 0 | 0 | 109.5 | A27 N31 | A27-L29 PolarHBondContact O-N 3.14Å; A27-L29 VanDerWaalsContact O-N 3.1Å; L29-N31 PolarHBondContact O-N 3.24Å | ||
| 30 | G | 31.2 | Very low | 41.1 | Very low | 52 Ų | 52 | 114.9 Ų | 114.9 | 54% | 0.536 | 71% | 0.713 | S | S | . | * | trans | -54 | 131 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | T28 V32 | T28-G30 VanDerWaalsContact C-N 3.26Å; T28-G30 PolarHBondContact O-N 3.31Å; G30-V32 PolarHBondContact O-N 3.35Å | ||
| 31 | N | 39 | Very low | 42.9 | Very low | 166 Ų | 166 | 114.2 Ų | 114.2 | 89% | 0.888 | 70% | 0.7 | S | S | * | * | trans | -73.6 | 76.6 | -177.1 | -166 | 29.5 | 0 | 0 | 0 | 110 | L29 S33 | L29-N31 PolarHBondContact O-N 3.24Å; N31-S33 PolarHBondContact O-N 3.22Å | ||
| 32 | V | 36.9 | Very low | 44.7 | Very low | 116 Ų | 116 | 108.8 Ų | 108.8 | 70% | 0.703 | 68% | 0.679 | S | S | * | * | trans | -66.8 | 98.4 | -179.9 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | G30 V34 | G30-V32 PolarHBondContact O-N 3.35Å; V32-V34 VanDerWaalsContact C-N 3.33Å; V32-V34 PolarHBondContact O-N 3.46Å | ||
| 33 | S | 42.5 | Very low | 46.7 | Very low | 108 Ų | 108 | 105.8 Ų | 105.8 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | trans | -57.7 | 99.6 | 162.2 | 55 | 0 | 0 | 0 | 0 | 107.8 | N31 A35 | N31-S33 PolarHBondContact O-N 3.22Å; S33-A35 PolarHBondContact O-N 2.89Å | ||
| 34 | V | 46.4 | Very low | 48.9 | Very low | 124 Ų | 124 | 96.4 Ų | 96.4 | 75% | 0.752 | 62% | 0.621 | S | S | * | * | trans | -60 | 107.2 | -178.3 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | V32 | V32-V34 VanDerWaalsContact C-N 3.33Å; V32-V34 PolarHBondContact O-N 3.46Å | ||
| 35 | A | 49.9 | Very low | 51.2 | Low | 79 Ų | 79 | 92.1 Ų | 92.1 | 65% | 0.653 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 126.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | S33 S37 | S33-A35 PolarHBondContact O-N 2.89Å; A35-S37 PolarHBondContact O-N 3.28Å |
| 36 | P | 55.4 | Low | 53.4 | Low | 101 Ų | 101 | 91.8 Ų | 91.8 | 66% | 0.656 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 129.9 | -175.2 | 17.3 | -28.7 | 0 | 0 | 0 | 109.7 | L41 | P36-L41 HydrophobicContact CB-CD1 3.78Å; P36-L41 HydrophobicContact CG-CD1 3.98Å; P36-L41 WeakPolarHBondContact O-CD1 3.4Å |
| 37 | S | 61.4 | Low | 55.9 | Low | 58 Ų | 58 | 88.1 Ų | 88.1 | 41% | 0.406 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 144.1 | -169.5 | 70.4 | 0 | 0 | 0 | 0 | 110.8 | A35 G39 G40 L41 | A35-S37 PolarHBondContact O-N 3.28Å; S37-G39 PolarHBondContact O-N 2.76Å; S37-G40 WeakPolarHBondContact O-CA 3.48Å; S37-G40 PolarHBondContact O-N 3.19Å; S37-G40 PolarHBondContact OG-N 3.15Å; S37-L41 VanDerWaalsContact O-CD1 3.31Å; S37-L41 WeakPolarHBondContact O-CD1 3.38Å; S37-L41 PolarHBondContact O-N 2.99Å; S37-L41 VanDerWaalsContact O-N 3.16Å |
| 38 | L | 61.1 | Low | 58.5 | Low | 155 Ų | 155 | 84 Ų | 84 | 81% | 0.812 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -55 | -33.4 | -176.1 | -171.1 | 65 | 0 | 0 | 0 | 112.4 | A42 | L38-A42 WeakPolarHBondContact O-CB 3.29Å; L38-A42 PolarHBondContact O-N 3.05Å; L38-A42 VanDerWaalsContact O-N 3.09Å |
| 39 | G | 62.9 | Low | 61.1 | Low | 44 Ų | 44 | 78.1 Ų | 78.1 | 45% | 0.454 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114 | S37 A42 V43 | S37-G39 PolarHBondContact O-N 2.76Å; G39-A42 PolarHBondContact O-N 3.29Å; G39-V43 WeakPolarHBondContact O-CB 3.37Å; G39-V43 WeakPolarHBondContact O-CG2 3.46Å; G39-V43 PolarHBondContact O-N 3.01Å |
| 40 | G | 63.7 | Low | 63.8 | Low | 20 Ų | 20 | 74.5 Ų | 74.5 | 21% | 0.206 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S37 S44 | S37-G40 WeakPolarHBondContact O-CA 3.48Å; S37-G40 PolarHBondContact O-N 3.19Å; S37-G40 PolarHBondContact OG-N 3.15Å; G40-S44 WeakPolarHBondContact O-CB 3.32Å; G40-S44 PolarHBondContact O-N 3.17Å |
| 41 | L | 65.8 | Low | 66.5 | Low | 96 Ų | 96 | 74.1 Ų | 74.1 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 173.4 | -71.6 | 94.1 | 0 | 0 | 0 | 111.7 | P36 S37 V43 S44 G45 | P36-L41 HydrophobicContact CB-CD1 3.78Å; P36-L41 HydrophobicContact CG-CD1 3.98Å; P36-L41 WeakPolarHBondContact O-CD1 3.4Å; S37-L41 VanDerWaalsContact O-CD1 3.31Å; S37-L41 WeakPolarHBondContact O-CD1 3.38Å; S37-L41 PolarHBondContact O-N 2.99Å; S37-L41 VanDerWaalsContact O-N 3.16Å; L41-V43 PolarHBondContact O-N 2.97Å; L41-S44 PolarHBondContact O-N 3.33Å; L41-G45 PolarHBondContact O-N 3.38Å |
| 42 | A | 68.9 | Low | 69 | Low | 51 Ų | 51 | 66.9 Ų | 66.9 | 42% | 0.421 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L38 G39 V46 L47 | L38-A42 WeakPolarHBondContact O-CB 3.29Å; L38-A42 PolarHBondContact O-N 3.05Å; L38-A42 VanDerWaalsContact O-N 3.09Å; G39-A42 PolarHBondContact O-N 3.29Å; A42-V46 VanDerWaalsContact O-CB 3.31Å; A42-V46 WeakPolarHBondContact O-CB 3.35Å; A42-V46 PolarHBondContact O-N 3.03Å; A42-V46 VanDerWaalsContact O-N 3.17Å; A42-L47 PolarHBondContact O-N 3.39Å |
| 43 | V | 69.9 | Low | 71.6 | Confident | 38 Ų | 38 | 65.3 Ų | 65.3 | 23% | 0.23 | 42% | 0.417 | C | S | . | . | I | π-helix | trans | -63.3 | -55.2 | 172.9 | 170.9 | 0 | 0 | 0 | 0 | 110 | G39 L41 L47 I48 F292 F296 | G39-V43 WeakPolarHBondContact O-CB 3.37Å; G39-V43 WeakPolarHBondContact O-CG2 3.46Å; G39-V43 PolarHBondContact O-N 3.01Å; L41-V43 PolarHBondContact O-N 2.97Å; V43-L47 HydrophobicContact CG1-CD2 4.44Å; V43-L47 HydrophobicContact CG2-CD2 4.49Å; V43-L47 WeakPolarHBondContact O-CA 3.37Å; V43-L47 WeakPolarHBondContact O-CB 3.4Å; V43-L47 PolarHBondContact O-N 3.42Å; V43-I48 WeakPolarHBondContact O-CG1 3.4Å; V43-I48 PolarHBondContact O-N 2.89Å; V43-I48 VanDerWaalsContact O-N 3.09Å; V43-F292 HydrophobicContact CB-CD1 4.45Å; V43-F292 HydrophobicContact CB-CE1 4.1Å; V43-F292 HydrophobicContact CG1-CD1 4.12Å; V43-F292 HydrophobicContact CG1-CE1 3.77Å; V43-F296 HydrophobicContact CG1-CD1 4.19Å |
| 44 | S | 72.8 | Confident | 73.8 | Confident | 37 Ų | 37 | 64.1 Ų | 64.1 | 26% | 0.259 | 41% | 0.405 | S | S | . | . | I | π-helix | trans | -62.3 | -50.7 | -174.2 | -160.3 | 0 | 0 | 0 | 0 | 113.1 | G40 L41 P49 | G40-S44 WeakPolarHBondContact O-CB 3.32Å; G40-S44 PolarHBondContact O-N 3.17Å; L41-S44 PolarHBondContact O-N 3.33Å; S44-P49 WeakPolarHBondContact O-CD 3.23Å |
| 45 | G | 80.5 | Confident | 75.9 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 26% | 0.258 | 38% | 0.375 | S | S | . | . | I | π-helix | trans | -87.3 | -14.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L41 | L41-G45 PolarHBondContact O-N 3.38Å |
| 46 | V | 83.9 | Confident | 77.9 | Confident | 97 Ų | 97 | 55.9 Ų | 55.9 | 59% | 0.588 | 35% | 0.347 | S | S | * | . | I | π-helix | trans | -125.7 | -46.7 | -177.5 | -168.9 | 0 | 0 | 0 | 0 | 112.5 | A42 L50 | A42-V46 VanDerWaalsContact O-CB 3.31Å; A42-V46 WeakPolarHBondContact O-CB 3.35Å; A42-V46 PolarHBondContact O-N 3.03Å; A42-V46 VanDerWaalsContact O-N 3.17Å; V46-L50 VanDerWaalsContact O-CB 3.25Å; V46-L50 WeakPolarHBondContact O-CB 3.48Å; V46-L50 PolarHBondContact O-N 3.14Å |
| 47 | L | 84.1 | Confident | 79.6 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | I | π-helix | trans | -73.8 | -42.8 | -177.3 | -170.9 | 62.4 | 0 | 0 | 0 | 112.7 | A42 V43 L50 V51 F296 | A42-L47 PolarHBondContact O-N 3.39Å; V43-L47 HydrophobicContact CG1-CD2 4.44Å; V43-L47 HydrophobicContact CG2-CD2 4.49Å; V43-L47 WeakPolarHBondContact O-CA 3.37Å; V43-L47 WeakPolarHBondContact O-CB 3.4Å; V43-L47 PolarHBondContact O-N 3.42Å; L47-L50 PolarHBondContact O-N 3.07Å; L47-V51 HydrophobicContact CD1-CG2 4.3Å; L47-V51 HydrophobicContact CG-CG2 4.48Å; L47-V51 WeakPolarHBondContact O-CG2 3.37Å; L47-V51 PolarHBondContact O-N 3.04Å; L47-F296 HydrophobicContact CD2-CD1 4.39Å; L47-F296 HydrophobicContact CD2-CE1 3.86Å; L47-F296 HydrophobicContact CG-CE1 3.91Å; L47-F296 HydrophobicContact CG-CZ 4.47Å |
| 48 | I | 84.2 | Confident | 81 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.8 | -50.8 | 178.2 | -50.1 | -169.7 | 0 | 0 | 0 | 111.5 | V43 L50 V51 Y52 N105 F296 | V43-I48 WeakPolarHBondContact O-CG1 3.4Å; V43-I48 PolarHBondContact O-N 2.89Å; V43-I48 VanDerWaalsContact O-N 3.09Å; I48-L50 PolarHBondContact O-N 3.5Å; I48-V51 PolarHBondContact O-N 2.87Å; I48-Y52 HydrophobicContact CG2-CD1 4.44Å; I48-Y52 HydrophobicContact CG2-CD2 4.14Å; I48-Y52 HydrophobicContact CG2-CE1 3.92Å; I48-Y52 HydrophobicContact CG2-CE2 3.58Å; I48-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I48-Y52 PolarHBondContact O-N 3.32Å; I48-N105 HydrophobicContact CB-CB 4.26Å; I48-N105 HydrophobicContact CG2-CB 4.19Å; I48-F296 HydrophobicContact CB-CD2 4.4Å; I48-F296 HydrophobicContact CB-CE2 3.96Å; I48-F296 HydrophobicContact CB-CZ 4.41Å; I48-F296 HydrophobicContact CD1-CD2 3.74Å; I48-F296 HydrophobicContact CD1-CE2 4.2Å; I48-F296 HydrophobicContact CD1-CG 4.26Å; I48-F296 HydrophobicContact CG1-CD2 3.57Å; I48-F296 HydrophobicContact CG1-CE2 3.57Å; I48-F296 HydrophobicContact CG1-CG 4.09Å; I48-F296 HydrophobicContact CG1-CZ 4.05Å; I48-F296 HydrophobicContact CG2-CD2 4.34Å; I48-F296 HydrophobicContact CG2-CE2 3.88Å |
| 49 | P | 89.5 | Confident | 82.3 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.071 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 176.6 | -24.1 | 35 | 0 | 0 | 0 | 113.2 | S44 V51 Y52 L53 A102 N105 A106 | S44-P49 WeakPolarHBondContact O-CD 3.23Å; P49-V51 PolarHBondContact O-N 2.92Å; P49-Y52 PolarHBondContact O-N 2.97Å; P49-L53 WeakPolarHBondContact O-CB 3.32Å; P49-L53 VanDerWaalsContact O-CG 3.29Å; P49-L53 WeakPolarHBondContact O-CG 3.28Å; P49-L53 PolarHBondContact O-N 3.36Å; P49-A102 HydrophobicContact CB-CB 4.05Å; P49-A102 WeakPolarHBondContact CG-O 3.42Å; P49-N105 HydrophobicContact CG-CB 3.89Å; P49-A106 HydrophobicContact CB-CB 4.22Å; P49-A106 HydrophobicContact CG-CB 3.77Å |
| 50 | L | 90 | Very high | 83.7 | Confident | 98 Ų | 98 | 48.5 Ų | 48.5 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 179.9 | -179.2 | 62.7 | 0 | 0 | 0 | 111.6 | V46 L47 I48 L53 V54 | V46-L50 VanDerWaalsContact O-CB 3.25Å; V46-L50 WeakPolarHBondContact O-CB 3.48Å; V46-L50 PolarHBondContact O-N 3.14Å; L47-L50 PolarHBondContact O-N 3.07Å; I48-L50 PolarHBondContact O-N 3.5Å; L50-L53 PolarHBondContact O-N 2.77Å; L50-V54 HydrophobicContact CD1-CG2 4.39Å; L50-V54 WeakPolarHBondContact O-CG2 3.27Å; L50-V54 PolarHBondContact O-N 3.32Å |
| 51 | V | 88.1 | Confident | 85 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.5 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | L47 I48 P49 L53 V54 V55 F296 | L47-V51 HydrophobicContact CD1-CG2 4.3Å; L47-V51 HydrophobicContact CG-CG2 4.48Å; L47-V51 WeakPolarHBondContact O-CG2 3.37Å; L47-V51 PolarHBondContact O-N 3.04Å; I48-V51 PolarHBondContact O-N 2.87Å; P49-V51 PolarHBondContact O-N 2.92Å; V51-L53 VanDerWaalsContact C-N 3.33Å; V51-L53 PolarHBondContact O-N 2.93Å; V51-V54 PolarHBondContact O-N 3.48Å; V51-V55 HydrophobicContact CG1-CG2 4.23Å; V51-V55 WeakPolarHBondContact O-CB 3.3Å; V51-V55 VanDerWaalsContact O-CG2 3.22Å; V51-V55 WeakPolarHBondContact O-CG2 3.34Å; V51-V55 PolarHBondContact O-N 3.29Å; V51-F296 HydrophobicContact CB-CZ 4.09Å; V51-F296 HydrophobicContact CG1-CZ 4.34Å; V51-F296 HydrophobicContact CG2-CZ 3.98Å |
| 52 | Y | 90 | Very high | 86.1 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 177.7 | -69.1 | -4 | 0 | 0 | 0 | 112.8 | I48 P49 C56 L98 L101 A102 Y303 | I48-Y52 HydrophobicContact CG2-CD1 4.44Å; I48-Y52 HydrophobicContact CG2-CD2 4.14Å; I48-Y52 HydrophobicContact CG2-CE1 3.92Å; I48-Y52 HydrophobicContact CG2-CE2 3.58Å; I48-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I48-Y52 PolarHBondContact O-N 3.32Å; P49-Y52 PolarHBondContact O-N 2.97Å; Y52-C56 VanDerWaalsContact O-CB 3.22Å; Y52-C56 WeakPolarHBondContact O-CB 3.42Å; Y52-C56 PolarHBondContact O-N 2.92Å; Y52-L98 HydrophobicContact CD1-CD2 4.38Å; Y52-L98 HydrophobicContact CG-CD2 4.16Å; Y52-L101 HydrophobicContact CD2-CB 3.87Å; Y52-L101 HydrophobicContact CE2-CB 3.87Å; Y52-A102 HydrophobicContact CD2-CB 4.44Å; Y52-Y303 HydrophobicContact CD1-CD2 4.25Å; Y52-Y303 HydrophobicContact CD1-CE2 4.47Å; Y52-Y303 AromaticContact CE1-CD2 3.65Å; Y52-Y303 HydrophobicContact CE1-CD2 3.65Å; Y52-Y303 AromaticContact CE1-CE2 3.55Å; Y52-Y303 HydrophobicContact CE1-CE2 3.55Å; Y52-Y303 AromaticContact CZ-CE2 3.77Å |
| 53 | L | 91.6 | Very high | 87.1 | Confident | 84 Ų | 84 | 47.4 Ų | 47.4 | 44% | 0.44 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.8 | -39.9 | 176.4 | -69.4 | 171.5 | 0 | 0 | 0 | 112.5 | P49 L50 V51 C56 V57 P99 A102 | P49-L53 WeakPolarHBondContact O-CB 3.32Å; P49-L53 VanDerWaalsContact O-CG 3.29Å; P49-L53 WeakPolarHBondContact O-CG 3.28Å; P49-L53 PolarHBondContact O-N 3.36Å; L50-L53 PolarHBondContact O-N 2.77Å; V51-L53 VanDerWaalsContact C-N 3.33Å; V51-L53 PolarHBondContact O-N 2.93Å; L53-C56 WeakPolarHBondContact O-CB 3.42Å; L53-C56 PolarHBondContact O-N 3.29Å; L53-V57 WeakPolarHBondContact O-CG2 3.4Å; L53-V57 PolarHBondContact O-N 3.3Å; L53-P99 HydrophobicContact CD2-CB 4.47Å; L53-A102 HydrophobicContact CD2-CB 4.25Å; L53-A102 HydrophobicContact CG-CB 4.04Å |
| 54 | V | 90.6 | Very high | 88.2 | Confident | 83 Ų | 83 | 47.8 Ų | 47.8 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 174.5 | 170.4 | 0 | 0 | 0 | 0 | 111 | L50 V51 V57 V58 | L50-V54 HydrophobicContact CD1-CG2 4.39Å; L50-V54 WeakPolarHBondContact O-CG2 3.27Å; L50-V54 PolarHBondContact O-N 3.32Å; V51-V54 PolarHBondContact O-N 3.48Å; V54-V57 PolarHBondContact O-N 3.41Å; V54-V58 HydrophobicContact CG1-CG2 4.42Å; V54-V58 WeakPolarHBondContact O-CB 3.31Å; V54-V58 WeakPolarHBondContact O-CG2 3.43Å; V54-V58 PolarHBondContact O-N 3.5Å |
| 55 | V | 89 | Confident | 88.9 | Confident | 19 Ų | 19 | 48.3 Ų | 48.3 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 174.2 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | V51 V57 V58 G59 M95 L98 C307 | V51-V55 HydrophobicContact CG1-CG2 4.23Å; V51-V55 WeakPolarHBondContact O-CB 3.3Å; V51-V55 VanDerWaalsContact O-CG2 3.22Å; V51-V55 WeakPolarHBondContact O-CG2 3.34Å; V51-V55 PolarHBondContact O-N 3.29Å; V55-V57 PolarHBondContact O-N 3.22Å; V55-V58 PolarHBondContact O-N 3.01Å; V55-G59 WeakPolarHBondContact O-CA 3.42Å; V55-G59 PolarHBondContact O-N 2.9Å; V55-M95 HydrophobicContact CG1-CE 3.96Å; V55-M95 HydrophobicContact CG1-SD 3.96Å; V55-M95 VanDerWaalsContact O-SD 3.37Å; V55-L98 HydrophobicContact CB-CD1 4.13Å; V55-L98 HydrophobicContact CG1-CD1 3.56Å; V55-C307 PolarHBondContact O-SG 3.4Å |
| 56 | C | 92 | Very high | 89.1 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.2 | -54.2 | 175.2 | 177.4 | 0 | 0 | 0 | 0 | 112.6 | Y52 L53 V58 G59 L60 M95 L98 | Y52-C56 VanDerWaalsContact O-CB 3.22Å; Y52-C56 WeakPolarHBondContact O-CB 3.42Å; Y52-C56 PolarHBondContact O-N 2.92Å; L53-C56 WeakPolarHBondContact O-CB 3.42Å; L53-C56 PolarHBondContact O-N 3.29Å; C56-V58 PolarHBondContact O-N 3.04Å; C56-G59 PolarHBondContact O-N 3.29Å; C56-L60 WeakPolarHBondContact O-CB 3.34Å; C56-L60 VanDerWaalsContact O-CG 3.28Å; C56-L60 WeakPolarHBondContact O-CG 3.45Å; C56-L60 PolarHBondContact O-N 2.98Å; C56-M95 PolarHBondContact SG-O 2.95Å; C56-L98 HydrophobicContact CB-CB 4.08Å; C56-L98 HydrophobicContact CB-CD1 4.14Å |
| 57 | V | 92.1 | Very high | 89.4 | Confident | 85 Ų | 85 | 44 Ų | 44 | 52% | 0.515 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | -177.5 | 172.2 | 0 | 0 | 0 | 0 | 112 | L53 V54 V55 L61 | L53-V57 WeakPolarHBondContact O-CG2 3.4Å; L53-V57 PolarHBondContact O-N 3.3Å; V54-V57 PolarHBondContact O-N 3.41Å; V55-V57 PolarHBondContact O-N 3.22Å; V57-L61 HydrophobicContact CG1-CD1 3.91Å; V57-L61 WeakPolarHBondContact O-CB 3.31Å; V57-L61 VanDerWaalsContact O-CG 3.28Å; V57-L61 WeakPolarHBondContact O-CG 3.34Å; V57-L61 PolarHBondContact O-N 2.88Å; V57-L61 VanDerWaalsContact O-N 3.14Å |
| 58 | V | 90.1 | Very high | 89.6 | Confident | 73 Ų | 73 | 45.9 Ų | 45.9 | 44% | 0.442 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 178.7 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | V54 V55 C56 G62 C307 | V54-V58 HydrophobicContact CG1-CG2 4.42Å; V54-V58 WeakPolarHBondContact O-CB 3.31Å; V54-V58 WeakPolarHBondContact O-CG2 3.43Å; V54-V58 PolarHBondContact O-N 3.5Å; V55-V58 PolarHBondContact O-N 3.01Å; C56-V58 PolarHBondContact O-N 3.04Å; V58-G62 PolarHBondContact O-N 3.41Å; V58-C307 HydrophobicContact CG1-CB 4.38Å |
| 59 | G | 89.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.1 | -44.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V55 C56 N63 C307 | V55-G59 WeakPolarHBondContact O-CA 3.42Å; V55-G59 PolarHBondContact O-N 2.9Å; C56-G59 PolarHBondContact O-N 3.29Å; G59-N63 VanDerWaalsContact O-CB 3.3Å; G59-N63 WeakPolarHBondContact O-CB 3.42Å; G59-N63 PolarHBondContact O-N 2.88Å; G59-N63 PolarHBondContact O-ND2 2.95Å; G59-C307 VanDerWaalsContact CA-SG 3.59Å |
| 60 | L | 92.1 | Very high | 89.2 | Confident | 45 Ų | 45 | 45.7 Ų | 45.7 | 24% | 0.236 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -58.2 | 173.5 | -70.7 | 173.2 | 0 | 0 | 0 | 110.3 | C56 G62 N63 S64 E92 M95 L96 | C56-L60 WeakPolarHBondContact O-CB 3.34Å; C56-L60 VanDerWaalsContact O-CG 3.28Å; C56-L60 WeakPolarHBondContact O-CG 3.45Å; C56-L60 PolarHBondContact O-N 2.98Å; L60-G62 VanDerWaalsContact C-N 3.26Å; L60-G62 PolarHBondContact O-N 3.42Å; L60-N63 PolarHBondContact O-N 2.9Å; L60-S64 WeakPolarHBondContact O-CB 3.35Å; L60-S64 PolarHBondContact O-N 2.88Å; L60-S64 PolarHBondContact O-OG 3.32Å; L60-E92 HydrophobicContact CD2-CG 4Å; L60-M95 HydrophobicContact CD2-CB 3.73Å; L60-M95 HydrophobicContact CG-CB 3.83Å; L60-L96 HydrophobicContact CD2-CD2 4.27Å |
| 61 | L | 90.6 | Very high | 89 | Confident | 124 Ų | 124 | 46.7 Ų | 46.7 | 65% | 0.649 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -56.1 | -40.5 | -178.5 | -69.7 | 172.3 | 0 | 0 | 0 | 112.6 | V57 L65 | V57-L61 HydrophobicContact CG1-CD1 3.91Å; V57-L61 WeakPolarHBondContact O-CB 3.31Å; V57-L61 VanDerWaalsContact O-CG 3.28Å; V57-L61 WeakPolarHBondContact O-CG 3.34Å; V57-L61 PolarHBondContact O-N 2.88Å; V57-L61 VanDerWaalsContact O-N 3.14Å; L61-L65 VanDerWaalsContact O-CB 3.25Å; L61-L65 WeakPolarHBondContact O-CB 3.48Å; L61-L65 PolarHBondContact O-N 3.45Å |
| 62 | G | 88.5 | Confident | 88.7 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 19% | 0.186 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.1 | -48.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V58 L60 L65 V66 | V58-G62 PolarHBondContact O-N 3.41Å; L60-G62 VanDerWaalsContact C-N 3.26Å; L60-G62 PolarHBondContact O-N 3.42Å; G62-L65 PolarHBondContact O-N 2.72Å; G62-V66 WeakPolarHBondContact O-CG2 3.47Å; G62-V66 PolarHBondContact O-N 3.35Å |
| 63 | N | 90.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -77.7 | -38.8 | -174.4 | -73.9 | -63.1 | 0 | 0 | 0 | 112.8 | G59 L60 L65 V66 I67 A88 S306 P310 | G59-N63 VanDerWaalsContact O-CB 3.3Å; G59-N63 WeakPolarHBondContact O-CB 3.42Å; G59-N63 PolarHBondContact O-N 2.88Å; G59-N63 PolarHBondContact O-ND2 2.95Å; L60-N63 PolarHBondContact O-N 2.9Å; N63-L65 PolarHBondContact O-N 3.17Å; N63-V66 WeakPolarHBondContact O-CB 3.48Å; N63-V66 PolarHBondContact O-N 3.28Å; N63-V66 VanDerWaalsContact O-N 3.08Å; N63-I67 WeakPolarHBondContact O-CG1 3.38Å; N63-I67 PolarHBondContact O-N 2.93Å; N63-A88 HydrophobicContact CB-CB 4.19Å; N63-S306 PolarHBondContact ND2-O 3.43Å; N63-P310 HydrophobicContact CB-CG 4.5Å; N63-P310 WeakPolarHBondContact OD1-CG 3.42Å |
| 64 | S | 91.1 | Very high | 87 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 33% | 0.329 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.1 | -34.2 | 171.7 | -44.9 | 0 | 0 | 0 | 0 | 111.4 | L60 I67 Y68 E92 | L60-S64 WeakPolarHBondContact O-CB 3.35Å; L60-S64 PolarHBondContact O-N 2.88Å; L60-S64 PolarHBondContact O-OG 3.32Å; S64-I67 PolarHBondContact O-N 2.93Å; S64-Y68 WeakPolarHBondContact O-CB 3.46Å; S64-Y68 PolarHBondContact O-N 3.31Å; S64-E92 PolarHBondContact OG-OE1 3.32Å |
| 65 | L | 87.6 | Confident | 85.8 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 25% | 0.246 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.7 | -36.4 | 174.1 | -179.1 | 56.5 | 0 | 0 | 0 | 112.8 | L61 G62 N63 Y68 V69 F324 V327 | L61-L65 VanDerWaalsContact O-CB 3.25Å; L61-L65 WeakPolarHBondContact O-CB 3.48Å; L61-L65 PolarHBondContact O-N 3.45Å; G62-L65 PolarHBondContact O-N 2.72Å; N63-L65 PolarHBondContact O-N 3.17Å; L65-Y68 HydrophobicContact CD1-CD1 4.38Å; L65-Y68 PolarHBondContact O-N 3.12Å; L65-V69 HydrophobicContact CD1-CG2 4.06Å; L65-V69 WeakPolarHBondContact O-CB 3.23Å; L65-V69 WeakPolarHBondContact O-CG2 3.4Å; L65-V69 PolarHBondContact O-N 3.16Å; L65-F324 HydrophobicContact CD2-CD2 3.84Å; L65-F324 HydrophobicContact CD2-CE2 3.51Å; L65-V327 HydrophobicContact CD1-CG1 4.27Å |
| 66 | V | 86.5 | Confident | 84.9 | Confident | 9 Ų | 9 | 59 Ų | 59 | 6% | 0.055 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 170.2 | 166.8 | 0 | 0 | 0 | 0 | 110.6 | G62 N63 V69 V70 I84 A88 P310 F320 | G62-V66 WeakPolarHBondContact O-CG2 3.47Å; G62-V66 PolarHBondContact O-N 3.35Å; N63-V66 WeakPolarHBondContact O-CB 3.48Å; N63-V66 PolarHBondContact O-N 3.28Å; N63-V66 VanDerWaalsContact O-N 3.08Å; V66-V69 PolarHBondContact O-N 2.97Å; V66-V70 HydrophobicContact CG1-CG2 4.49Å; V66-V70 WeakPolarHBondContact O-CB 3.42Å; V66-V70 VanDerWaalsContact O-CG2 3.31Å; V66-V70 WeakPolarHBondContact O-CG2 3.42Å; V66-V70 PolarHBondContact O-N 3Å; V66-I84 HydrophobicContact CG1-CG2 3.5Å; V66-A88 HydrophobicContact CB-CB 4.35Å; V66-A88 HydrophobicContact CG1-CB 3.92Å; V66-P310 HydrophobicContact CG2-CB 3.87Å; V66-P310 HydrophobicContact CG2-CG 4.1Å; V66-F320 HydrophobicContact CG1-CE1 4.21Å |
| 67 | I | 89.3 | Confident | 83.9 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 11% | 0.113 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.5 | -51.2 | 176.7 | -67.7 | 163.5 | 0 | 0 | 0 | 110.2 | N63 S64 V69 V70 L71 L85 A88 L89 E92 | N63-I67 WeakPolarHBondContact O-CG1 3.38Å; N63-I67 PolarHBondContact O-N 2.93Å; S64-I67 PolarHBondContact O-N 2.93Å; I67-V69 PolarHBondContact O-N 3.48Å; I67-V70 PolarHBondContact O-N 3.25Å; I67-L71 HydrophobicContact CG2-CD1 3.72Å; I67-L71 HydrophobicContact CG2-CG 4.39Å; I67-L71 WeakPolarHBondContact O-CB 3.29Å; I67-L71 WeakPolarHBondContact O-CG 3.42Å; I67-L71 PolarHBondContact O-N 3.01Å; I67-L85 HydrophobicContact CB-CD1 4.31Å; I67-L85 HydrophobicContact CG1-CD1 4Å; I67-L85 HydrophobicContact CG2-CD1 4.04Å; I67-A88 HydrophobicContact CD1-CB 4.12Å; I67-A88 HydrophobicContact CG1-CB 3.74Å; I67-L89 HydrophobicContact CD1-CD2 3.98Å; I67-L89 HydrophobicContact CD1-CG 4.33Å; I67-E92 WeakPolarHBondContact CD1-OE2 3.49Å |
| 68 | Y | 87.6 | Confident | 83.2 | Confident | 115 Ų | 115 | 61 Ų | 61 | 45% | 0.451 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.8 | -48.1 | 177.9 | 176 | -96.4 | 0 | 0 | 0 | 112.6 | S64 L65 V70 L71 R72 V327 | S64-Y68 WeakPolarHBondContact O-CB 3.46Å; S64-Y68 PolarHBondContact O-N 3.31Å; L65-Y68 HydrophobicContact CD1-CD1 4.38Å; L65-Y68 PolarHBondContact O-N 3.12Å; Y68-V70 PolarHBondContact O-N 2.83Å; Y68-L71 PolarHBondContact O-N 3.41Å; Y68-R72 HydrophobicContact CD2-CB 4.47Å; Y68-R72 HydrophobicContact CE1-CB 4.4Å; Y68-R72 HydrophobicContact CE2-CB 4.15Å; Y68-R72 HydrophobicContact CE2-CG 4.15Å; Y68-R72 WeakPolarHBondContact O-CB 3.47Å; Y68-R72 PolarHBondContact O-N 2.87Å; Y68-V327 HydrophobicContact CD1-CG2 4.32Å; Y68-V327 HydrophobicContact CE1-CG2 3.82Å |
| 69 | V | 82.9 | Confident | 82.7 | Confident | 10 Ų | 10 | 58 Ų | 58 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 179.4 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | L65 V66 I67 H73 F320 V327 | L65-V69 HydrophobicContact CD1-CG2 4.06Å; L65-V69 WeakPolarHBondContact O-CB 3.23Å; L65-V69 WeakPolarHBondContact O-CG2 3.4Å; L65-V69 PolarHBondContact O-N 3.16Å; V66-V69 PolarHBondContact O-N 2.97Å; I67-V69 PolarHBondContact O-N 3.48Å; V69-H73 WeakPolarHBondContact O-CB 3.35Å; V69-H73 PolarHBondContact O-N 3.44Å; V69-F320 HydrophobicContact CG1-CD1 4.06Å; V69-F320 HydrophobicContact CG1-CE1 4.26Å; V69-V327 HydrophobicContact CG2-CG2 4.37Å |
| 70 | V | 83.8 | Confident | 82.2 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.4 | -49.7 | 176.5 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | V66 I67 Y68 T74 N81 I84 L85 F320 | V66-V70 HydrophobicContact CG1-CG2 4.49Å; V66-V70 WeakPolarHBondContact O-CB 3.42Å; V66-V70 VanDerWaalsContact O-CG2 3.31Å; V66-V70 WeakPolarHBondContact O-CG2 3.42Å; V66-V70 PolarHBondContact O-N 3Å; I67-V70 PolarHBondContact O-N 3.25Å; Y68-V70 PolarHBondContact O-N 2.83Å; V70-T74 WeakPolarHBondContact O-CB 3.26Å; V70-T74 PolarHBondContact O-N 3.03Å; V70-T74 PolarHBondContact O-OG1 2.91Å; V70-N81 HydrophobicContact CG1-CB 4.17Å; V70-I84 HydrophobicContact CG2-CG2 4.21Å; V70-L85 HydrophobicContact CG1-CB 4.39Å; V70-F320 HydrophobicContact CG2-CE1 3.86Å; V70-F320 HydrophobicContact CG2-CZ 3.56Å |
| 71 | L | 85.5 | Confident | 81.7 | Confident | 119 Ų | 119 | 58.1 Ų | 58.1 | 62% | 0.623 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -71.8 | -35.9 | -176.6 | -65.5 | 176.4 | 0 | 0 | 0 | 113.2 | I67 Y68 L85 | I67-L71 HydrophobicContact CG2-CD1 3.72Å; I67-L71 HydrophobicContact CG2-CG 4.39Å; I67-L71 WeakPolarHBondContact O-CB 3.29Å; I67-L71 WeakPolarHBondContact O-CG 3.42Å; I67-L71 PolarHBondContact O-N 3.01Å; Y68-L71 PolarHBondContact O-N 3.41Å; L71-L85 HydrophobicContact CD2-CD2 4.22Å |
| 72 | R | 82.2 | Confident | 81.5 | Confident | 182 Ų | 182 | 52.8 Ų | 52.8 | 69% | 0.687 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -95.1 | -21.6 | -172.2 | -164.3 | 59.1 | 173.9 | -177.8 | 2.4 | 114.9 | Y68 | Y68-R72 HydrophobicContact CD2-CB 4.47Å; Y68-R72 HydrophobicContact CE1-CB 4.4Å; Y68-R72 HydrophobicContact CE2-CB 4.15Å; Y68-R72 HydrophobicContact CE2-CG 4.15Å; Y68-R72 WeakPolarHBondContact O-CB 3.47Å; Y68-R72 PolarHBondContact O-N 2.87Å |
| 73 | H | 72.9 | Confident | 81.3 | Confident | 74 Ų | 74 | 52.6 Ų | 52.6 | 34% | 0.343 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -118.9 | 6 | -177.2 | -65.5 | -40.8 | 0 | 0 | 0 | 114.9 | V69 | V69-H73 WeakPolarHBondContact O-CB 3.35Å; V69-H73 PolarHBondContact O-N 3.44Å |
| 74 | T | 72.9 | Confident | 81 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | trans | -103.4 | 109.6 | 171.2 | -45.7 | 0 | 0 | 0 | 0 | 111.3 | V70 S76 N81 | V70-T74 WeakPolarHBondContact O-CB 3.26Å; V70-T74 PolarHBondContact O-N 3.03Å; V70-T74 PolarHBondContact O-OG1 2.91Å; T74-S76 VanDerWaalsContact C-N 3.33Å; T74-S76 WeakPolarHBondContact CG2-O 3.35Å; T74-S76 PolarHBondContact O-N 3.22Å; T74-N81 WeakPolarHBondContact CG2-ND2 3.03Å; T74-N81 PolarHBondContact OG1-ND2 2.84Å | ||
| 75 | A | 65.4 | Low | 80.8 | Confident | 115 Ų | 115 | 52.2 Ų | 52.2 | 95% | 0.95 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -71.2 | -23.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 76 | S | 69.1 | Low | 80.8 | Confident | 85 Ų | 85 | 51 Ų | 51 | 59% | 0.594 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -140.9 | 129.5 | 178.2 | 57.3 | 0 | 0 | 0 | 0 | 112.3 | T74 S78 | T74-S76 VanDerWaalsContact C-N 3.33Å; T74-S76 WeakPolarHBondContact CG2-O 3.35Å; T74-S76 PolarHBondContact O-N 3.22Å; S76-S78 PolarHBondContact O-N 2.94Å; S76-S78 VanDerWaalsContact O-N 3.08Å |
| 77 | P | 70.6 | Confident | 80.8 | Confident | 99 Ų | 99 | 50.7 Ų | 50.7 | 64% | 0.643 | 28% | 0.281 | S | S | * | . | trans | -66 | 113.8 | -175.4 | 26.3 | -34 | 0 | 0 | 0 | 110.6 | A158 | P77-A158 HydrophobicContact CB-CB 4.11Å; P77-A158 HydrophobicContact CG-CB 4.07Å; P77-A158 WeakPolarHBondContact O-CB 3.32Å | ||
| 78 | S | 78.9 | Confident | 80.9 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | trans | -95.1 | 150.2 | 174.3 | 95.4 | 0 | 0 | 0 | 0 | 111.1 | S76 T80 N81 V82 | S76-S78 PolarHBondContact O-N 2.94Å; S76-S78 VanDerWaalsContact O-N 3.08Å; S78-T80 PolarHBondContact O-N 3.37Å; S78-N81 WeakPolarHBondContact O-CA 3.32Å; S78-N81 PolarHBondContact O-N 3.49Å; S78-N81 PolarHBondContact OG-N 2.9Å; S78-N81 PolarHBondContact OG-OD1 3.5Å; S78-V82 PolarHBondContact O-N 3.44Å | ||
| 79 | V | 79.6 | Confident | 81.1 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -48.5 | -44.2 | 176.6 | 175 | 0 | 0 | 0 | 0 | 112 | N81 V82 Y83 R156 A161 | V79-N81 VanDerWaalsContact C-N 3.34Å; V79-N81 PolarHBondContact O-N 2.88Å; V79-V82 PolarHBondContact O-N 2.88Å; V79-Y83 HydrophobicContact CG1-CD2 4.03Å; V79-Y83 HydrophobicContact CG1-CE2 3.37Å; V79-Y83 WeakPolarHBondContact O-CD2 3.47Å; V79-Y83 PolarHBondContact O-N 3.47Å; V79-R156 HydrophobicContact CG2-CB 4.38Å; V79-R156 VanDerWaalsContact CG2-O 3.32Å; V79-R156 WeakPolarHBondContact CG2-O 3.48Å; V79-A161 HydrophobicContact CB-CB 4.28Å; V79-A161 HydrophobicContact CG1-CB 4.01Å; V79-A161 HydrophobicContact CG2-CB 4.19Å |
| 80 | T | 78.2 | Confident | 81.5 | Confident | 28 Ų | 28 | 47 Ų | 47 | 17% | 0.172 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -34.3 | 178.7 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | S78 Y83 I84 R142 | S78-T80 PolarHBondContact O-N 3.37Å; T80-Y83 PolarHBondContact O-N 3.34Å; T80-I84 HydrophobicContact CG2-CD1 3.9Å; T80-I84 VanDerWaalsContact O-CG1 3.27Å; T80-I84 WeakPolarHBondContact O-CG1 3.42Å; T80-I84 PolarHBondContact O-N 3.47Å; T80-R142 PolarHBondContact OG1-NH2 2.88Å |
| 81 | N | 82.1 | Confident | 81.9 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 10% | 0.096 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.7 | -31.2 | 178.8 | -64.4 | 25.9 | 0 | 0 | 0 | 111.4 | V70 T74 S78 V79 L85 | V70-N81 HydrophobicContact CG1-CB 4.17Å; T74-N81 WeakPolarHBondContact CG2-ND2 3.03Å; T74-N81 PolarHBondContact OG1-ND2 2.84Å; S78-N81 WeakPolarHBondContact O-CA 3.32Å; S78-N81 PolarHBondContact O-N 3.49Å; S78-N81 PolarHBondContact OG-N 2.9Å; S78-N81 PolarHBondContact OG-OD1 3.5Å; V79-N81 VanDerWaalsContact C-N 3.34Å; V79-N81 PolarHBondContact O-N 2.88Å; N81-L85 VanDerWaalsContact O-CB 3.29Å; N81-L85 WeakPolarHBondContact O-CB 3.33Å; N81-L85 PolarHBondContact O-N 3.06Å |
| 82 | V | 86.1 | Confident | 82.1 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -48.9 | 171.4 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | S78 V79 L85 N86 A161 R162 | S78-V82 PolarHBondContact O-N 3.44Å; V79-V82 PolarHBondContact O-N 2.88Å; V82-L85 PolarHBondContact O-N 3.35Å; V82-N86 PolarHBondContact O-N 2.79Å; V82-N86 PolarHBondContact O-ND2 3.35Å; V82-A161 HydrophobicContact CB-CB 4.1Å; V82-A161 HydrophobicContact CG1-CB 4.11Å; V82-A161 HydrophobicContact CG2-CB 4.27Å; V82-R162 HydrophobicContact CG1-CG 4.06Å; V82-R162 HydrophobicContact CG2-CG 4.4Å |
| 83 | Y | 84.3 | Confident | 82.6 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.2 | -38.7 | 179.7 | -58.8 | -41.9 | 0 | 0 | 0 | 113.3 | V79 T80 L85 N86 L87 V137 M138 A161 S165 | V79-Y83 HydrophobicContact CG1-CD2 4.03Å; V79-Y83 HydrophobicContact CG1-CE2 3.37Å; V79-Y83 WeakPolarHBondContact O-CD2 3.47Å; V79-Y83 PolarHBondContact O-N 3.47Å; T80-Y83 PolarHBondContact O-N 3.34Å; Y83-L85 VanDerWaalsContact C-N 3.34Å; Y83-L85 PolarHBondContact O-N 2.82Å; Y83-N86 PolarHBondContact O-N 3.08Å; Y83-L87 PolarHBondContact O-N 2.96Å; Y83-V137 HydrophobicContact CD1-CG1 4.42Å; Y83-V137 HydrophobicContact CE1-CG1 3.7Å; Y83-V137 HydrophobicContact CE2-CG1 3.78Å; Y83-V137 VanDerWaalsContact OH-CG1 3.31Å; Y83-V137 WeakPolarHBondContact OH-CG1 3.38Å; Y83-M138 HydrophobicContact CD2-CG 3.61Å; Y83-M138 HydrophobicContact CG-CG 3.91Å; Y83-A161 HydrophobicContact CE1-CB 4.32Å; Y83-S165 WeakPolarHBondContact CD1-OG 3.32Å |
| 84 | I | 84.2 | Confident | 83.6 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 173.7 | -68.8 | 169.6 | 0 | 0 | 0 | 111.3 | V66 V70 T80 L87 A88 Y313 F320 | V66-I84 HydrophobicContact CG1-CG2 3.5Å; V70-I84 HydrophobicContact CG2-CG2 4.21Å; T80-I84 HydrophobicContact CG2-CD1 3.9Å; T80-I84 VanDerWaalsContact O-CG1 3.27Å; T80-I84 WeakPolarHBondContact O-CG1 3.42Å; T80-I84 PolarHBondContact O-N 3.47Å; I84-L87 PolarHBondContact O-N 3.48Å; I84-A88 WeakPolarHBondContact O-CB 3.48Å; I84-A88 PolarHBondContact O-N 2.87Å; I84-Y313 HydrophobicContact CB-CE2 4.34Å; I84-Y313 HydrophobicContact CD1-CD1 4.36Å; I84-Y313 HydrophobicContact CD1-CE1 4.29Å; I84-Y313 HydrophobicContact CG1-CD2 4.49Å; I84-Y313 HydrophobicContact CG1-CE1 4.11Å; I84-Y313 HydrophobicContact CG1-CE2 3.97Å; I84-Y313 HydrophobicContact CG2-CD2 3.95Å; I84-Y313 HydrophobicContact CG2-CE2 3.75Å; I84-F320 HydrophobicContact CD1-CE2 3.85Å; I84-F320 HydrophobicContact CD1-CZ 3.97Å; I84-F320 HydrophobicContact CG2-CE1 4.49Å; I84-F320 HydrophobicContact CG2-CZ 3.96Å |
| 85 | L | 86.9 | Confident | 84.5 | Confident | 38 Ų | 38 | 33.2 Ų | 33.2 | 20% | 0.199 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -40.4 | 177.7 | -176 | 65.9 | 0 | 0 | 0 | 112 | I67 V70 L71 N81 V82 Y83 L89 | I67-L85 HydrophobicContact CB-CD1 4.31Å; I67-L85 HydrophobicContact CG1-CD1 4Å; I67-L85 HydrophobicContact CG2-CD1 4.04Å; V70-L85 HydrophobicContact CG1-CB 4.39Å; L71-L85 HydrophobicContact CD2-CD2 4.22Å; N81-L85 VanDerWaalsContact O-CB 3.29Å; N81-L85 WeakPolarHBondContact O-CB 3.33Å; N81-L85 PolarHBondContact O-N 3.06Å; V82-L85 PolarHBondContact O-N 3.35Å; Y83-L85 VanDerWaalsContact C-N 3.34Å; Y83-L85 PolarHBondContact O-N 2.82Å; L85-L89 HydrophobicContact CD1-CD1 4.49Å; L85-L89 HydrophobicContact CG-CD1 4.14Å; L85-L89 WeakPolarHBondContact O-CB 3.4Å; L85-L89 WeakPolarHBondContact O-CD1 3.3Å; L85-L89 VanDerWaalsContact O-CG 3.26Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.33Å; L85-L89 VanDerWaalsContact O-N 3.07Å |
| 86 | N | 88.4 | Confident | 85.8 | Confident | 23 Ų | 23 | 32.5 Ų | 32.5 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 177.3 | -80.3 | -97.2 | 0 | 0 | 0 | 112.2 | V82 Y83 A90 S165 W169 | V82-N86 PolarHBondContact O-N 2.79Å; V82-N86 PolarHBondContact O-ND2 3.35Å; Y83-N86 PolarHBondContact O-N 3.08Å; N86-A90 PolarHBondContact O-N 3.38Å; N86-S165 PolarHBondContact ND2-OG 2.95Å; N86-S165 WeakPolarHBondContact OD1-CB 3.44Å; N86-W169 PolarHBondContact OD1-NE1 3.33Å |
| 87 | L | 86.7 | Confident | 86.9 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.2 | -48.8 | 175.8 | -171.4 | 67.3 | 0 | 0 | 0 | 111.3 | Y83 I84 L89 A90 D91 S131 N309 Y313 | Y83-L87 PolarHBondContact O-N 2.96Å; I84-L87 PolarHBondContact O-N 3.48Å; L87-L89 VanDerWaalsContact C-N 3.28Å; L87-L89 PolarHBondContact O-N 3.39Å; L87-A90 PolarHBondContact O-N 2.97Å; L87-A90 VanDerWaalsContact O-N 3.11Å; L87-D91 PolarHBondContact O-N 3.25Å; L87-S131 VanDerWaalsContact CD1-OG 3.28Å; L87-S131 WeakPolarHBondContact CD1-OG 3.36Å; L87-N309 HydrophobicContact CD2-CB 4.23Å; L87-N309 WeakPolarHBondContact CD2-ND2 3.22Å; L87-Y313 HydrophobicContact CD2-CE2 4.3Å; L87-Y313 WeakPolarHBondContact CD2-OH 3.33Å |
| 88 | A | 90.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -34.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N63 V66 I67 I84 E92 | N63-A88 HydrophobicContact CB-CB 4.19Å; V66-A88 HydrophobicContact CB-CB 4.35Å; V66-A88 HydrophobicContact CG1-CB 3.92Å; I67-A88 HydrophobicContact CD1-CB 4.12Å; I67-A88 HydrophobicContact CG1-CB 3.74Å; I84-A88 WeakPolarHBondContact O-CB 3.48Å; I84-A88 PolarHBondContact O-N 2.87Å; A88-E92 WeakPolarHBondContact O-CB 3.42Å; A88-E92 PolarHBondContact O-N 3.19Å |
| 89 | L | 91.2 | Very high | 88.6 | Confident | 67 Ų | 67 | 24.8 Ų | 24.8 | 35% | 0.351 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -70.4 | -36.3 | 173.6 | -73 | 168 | 0 | 0 | 0 | 112.9 | I67 L85 L87 L93 W169 | I67-L89 HydrophobicContact CD1-CD2 3.98Å; I67-L89 HydrophobicContact CD1-CG 4.33Å; L85-L89 HydrophobicContact CD1-CD1 4.49Å; L85-L89 HydrophobicContact CG-CD1 4.14Å; L85-L89 WeakPolarHBondContact O-CB 3.4Å; L85-L89 WeakPolarHBondContact O-CD1 3.3Å; L85-L89 VanDerWaalsContact O-CG 3.26Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.33Å; L85-L89 VanDerWaalsContact O-N 3.07Å; L87-L89 VanDerWaalsContact C-N 3.28Å; L87-L89 PolarHBondContact O-N 3.39Å; L89-L93 WeakPolarHBondContact O-CB 3.13Å; L89-L93 VanDerWaalsContact O-CG 3.3Å; L89-L93 WeakPolarHBondContact O-CG 3.26Å; L89-L93 PolarHBondContact O-N 3.06Å; L89-L93 VanDerWaalsContact O-N 3.1Å; L89-W169 HydrophobicContact CB-CZ2 4.5Å |
| 90 | A | 91.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 2% | 0.017 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.7 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N86 L87 F94 N127 T130 W169 | N86-A90 PolarHBondContact O-N 3.38Å; L87-A90 PolarHBondContact O-N 2.97Å; L87-A90 VanDerWaalsContact O-N 3.11Å; A90-F94 WeakPolarHBondContact O-CB 3.48Å; A90-F94 PolarHBondContact O-N 3.11Å; A90-F94 VanDerWaalsContact O-N 3.08Å; A90-N127 WeakPolarHBondContact CB-OD1 3.19Å; A90-N127 PolarHBondContact O-OD1 3.27Å; A90-T130 HydrophobicContact CB-CG2 3.99Å; A90-W169 HydrophobicContact CB-CH2 3.76Å; A90-W169 HydrophobicContact CB-CZ2 4.13Å |
| 91 | D | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 173.8 | -73.9 | -34 | 0 | 0 | 0 | 111.1 | L87 F94 M95 N127 S306 N309 | L87-D91 PolarHBondContact O-N 3.25Å; D91-F94 PolarHBondContact O-N 3.17Å; D91-M95 VanDerWaalsContact O-CG 3.26Å; D91-M95 WeakPolarHBondContact O-CG 3.3Å; D91-M95 PolarHBondContact O-N 3.33Å; D91-N127 PolarHBondContact N-OD1 2.84Å; D91-N127 PolarHBondContact OD1-OD1 3.39Å; D91-S306 WeakPolarHBondContact OD1-CA 3.39Å; D91-S306 WeakPolarHBondContact OD1-CB 3.5Å; D91-S306 PolarHBondContact OD1-OG 2.88Å; D91-N309 PolarHBondContact OD2-ND2 3.5Å |
| 92 | E | 91.4 | Very high | 90.4 | Very high | 49 Ų | 49 | 26.1 Ų | 26.1 | 23% | 0.229 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | -180 | -173.5 | 169.4 | -131.5 | 0 | 0 | 112.3 | L60 S64 I67 A88 F94 M95 L96 | L60-E92 HydrophobicContact CD2-CG 4Å; S64-E92 PolarHBondContact OG-OE1 3.32Å; I67-E92 WeakPolarHBondContact CD1-OE2 3.49Å; A88-E92 WeakPolarHBondContact O-CB 3.42Å; A88-E92 PolarHBondContact O-N 3.19Å; E92-F94 VanDerWaalsContact C-N 3.32Å; E92-F94 PolarHBondContact O-N 3.36Å; E92-M95 PolarHBondContact O-N 3.02Å; E92-L96 WeakPolarHBondContact O-CG 3.48Å; E92-L96 PolarHBondContact O-N 3.46Å |
| 93 | L | 91.9 | Very high | 90.6 | Very high | 89 Ų | 89 | 26.7 Ų | 26.7 | 47% | 0.466 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 173.2 | -75.3 | 169.4 | 0 | 0 | 0 | 112.2 | L89 L96 V123 W169 | L89-L93 WeakPolarHBondContact O-CB 3.13Å; L89-L93 VanDerWaalsContact O-CG 3.3Å; L89-L93 WeakPolarHBondContact O-CG 3.26Å; L89-L93 PolarHBondContact O-N 3.06Å; L89-L93 VanDerWaalsContact O-N 3.1Å; L93-L96 PolarHBondContact O-N 2.9Å; L93-V123 HydrophobicContact CB-CG1 4.09Å; L93-V123 WeakPolarHBondContact O-CG1 3.15Å; L93-W169 HydrophobicContact CD1-CH2 4.04Å; L93-W169 HydrophobicContact CD1-CZ3 4.32Å |
| 94 | F | 92.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 2% | 0.022 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66 | -41.1 | 176.2 | 157.5 | -100.3 | 0 | 0 | 0 | 113 | A90 D91 E92 L96 G97 L98 V123 D124 N127 Y303 | A90-F94 WeakPolarHBondContact O-CB 3.48Å; A90-F94 PolarHBondContact O-N 3.11Å; A90-F94 VanDerWaalsContact O-N 3.08Å; D91-F94 PolarHBondContact O-N 3.17Å; E92-F94 VanDerWaalsContact C-N 3.32Å; E92-F94 PolarHBondContact O-N 3.36Å; F94-L96 PolarHBondContact O-N 3.36Å; F94-G97 WeakPolarHBondContact O-CA 3.32Å; F94-G97 PolarHBondContact O-N 3.43Å; F94-L98 HydrophobicContact CE1-CD1 3.94Å; F94-L98 HydrophobicContact CE1-CG 4.23Å; F94-L98 HydrophobicContact CE2-CD2 4.03Å; F94-L98 HydrophobicContact CE2-CG 4.24Å; F94-L98 HydrophobicContact CZ-CD1 3.93Å; F94-L98 HydrophobicContact CZ-CD2 3.68Å; F94-L98 HydrophobicContact CZ-CG 3.83Å; F94-L98 PolarHBondContact O-N 2.93Å; F94-V123 HydrophobicContact CB-CG1 4.47Å; F94-D124 HydrophobicContact CD2-CB 4.37Å; F94-D124 VanDerWaalsContact CE2-OD1 3.29Å; F94-D124 WeakPolarHBondContact CE2-OD1 3.47Å; F94-N127 HydrophobicContact CB-CB 3.67Å; F94-N127 WeakPolarHBondContact CB-ND2 3.48Å; F94-N127 WeakPolarHBondContact CD1-ND2 3.37Å; F94-N127 HydrophobicContact CG-CB 4.28Å; F94-N127 WeakPolarHBondContact CG-ND2 3.24Å; F94-Y303 HydrophobicContact CE1-CD1 4.38Å; F94-Y303 AromaticContact CE2-CD1 3.75Å; F94-Y303 HydrophobicContact CE2-CD1 3.75Å; F94-Y303 AromaticContact CE2-CE1 3.97Å; F94-Y303 HydrophobicContact CE2-CE1 3.97Å; F94-Y303 AromaticContact CZ-CD1 3.32Å; F94-Y303 HydrophobicContact CZ-CD1 3.32Å; F94-Y303 HydrophobicContact CZ-CE1 4.02Å; F94-Y303 AromaticContact CZ-CG 3.92Å; F94-Y303 HydrophobicContact CZ-CG 3.92Å |
| 95 | M | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -31.5 | 177.9 | -66.5 | -65.1 | 162.7 | 0 | 0 | 112.2 | V55 C56 L60 D91 E92 G97 L98 P99 C307 | V55-M95 HydrophobicContact CG1-CE 3.96Å; V55-M95 HydrophobicContact CG1-SD 3.96Å; V55-M95 VanDerWaalsContact O-SD 3.37Å; C56-M95 PolarHBondContact SG-O 2.95Å; L60-M95 HydrophobicContact CD2-CB 3.73Å; L60-M95 HydrophobicContact CG-CB 3.83Å; D91-M95 VanDerWaalsContact O-CG 3.26Å; D91-M95 WeakPolarHBondContact O-CG 3.3Å; D91-M95 PolarHBondContact O-N 3.33Å; E92-M95 PolarHBondContact O-N 3.02Å; M95-G97 PolarHBondContact O-N 2.85Å; M95-L98 PolarHBondContact O-N 3.32Å; M95-L98 HydrophobicContact SD-CD1 3.56Å; M95-L98 VanDerWaalsContact SD-CD1 3.56Å; M95-P99 WeakPolarHBondContact O-CD 3.03Å; M95-C307 VanDerWaalsContact CE-SG 3.57Å |
| 96 | L | 92.2 | Very high | 91.2 | Very high | 99 Ų | 99 | 29.9 Ų | 29.9 | 52% | 0.518 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.2 | 172.7 | -63.3 | 173.3 | 0 | 0 | 0 | 113.5 | L60 E92 L93 F94 F100 | L60-L96 HydrophobicContact CD2-CD2 4.27Å; E92-L96 WeakPolarHBondContact O-CG 3.48Å; E92-L96 PolarHBondContact O-N 3.46Å; L93-L96 PolarHBondContact O-N 2.9Å; F94-L96 PolarHBondContact O-N 3.36Å; L96-F100 WeakPolarHBondContact O-CD2 3.47Å; L96-F100 WeakPolarHBondContact O-CE2 3.4Å |
| 97 | G | 92.4 | Very high | 91.2 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 8% | 0.082 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -29.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F94 M95 F100 L101 | F94-G97 WeakPolarHBondContact O-CA 3.32Å; F94-G97 PolarHBondContact O-N 3.43Å; M95-G97 PolarHBondContact O-N 2.85Å; G97-F100 PolarHBondContact O-N 3.3Å; G97-F100 VanDerWaalsContact O-N 3.14Å; G97-L101 PolarHBondContact O-N 3.2Å |
| 98 | L | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.5 | -39 | -175.4 | -75.9 | 177.3 | 0 | 0 | 0 | 115.3 | Y52 V55 C56 F94 M95 F100 L101 A102 | Y52-L98 HydrophobicContact CD1-CD2 4.38Å; Y52-L98 HydrophobicContact CG-CD2 4.16Å; V55-L98 HydrophobicContact CB-CD1 4.13Å; V55-L98 HydrophobicContact CG1-CD1 3.56Å; C56-L98 HydrophobicContact CB-CB 4.08Å; C56-L98 HydrophobicContact CB-CD1 4.14Å; F94-L98 HydrophobicContact CE1-CD1 3.94Å; F94-L98 HydrophobicContact CE1-CG 4.23Å; F94-L98 HydrophobicContact CE2-CD2 4.03Å; F94-L98 HydrophobicContact CE2-CG 4.24Å; F94-L98 HydrophobicContact CZ-CD1 3.93Å; F94-L98 HydrophobicContact CZ-CD2 3.68Å; F94-L98 HydrophobicContact CZ-CG 3.83Å; F94-L98 PolarHBondContact O-N 2.93Å; M95-L98 PolarHBondContact O-N 3.32Å; M95-L98 HydrophobicContact SD-CD1 3.56Å; M95-L98 VanDerWaalsContact SD-CD1 3.56Å; L98-F100 PolarHBondContact O-N 3.45Å; L98-L101 HydrophobicContact CD2-CD1 4.4Å; L98-L101 PolarHBondContact O-N 2.93Å; L98-A102 WeakPolarHBondContact O-CB 3.46Å; L98-A102 PolarHBondContact O-N 2.93Å |
| 99 | P | 94.2 | Very high | 91.1 | Very high | 51 Ų | 51 | 42 Ų | 42 | 33% | 0.331 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.5 | -32.2 | 176.7 | -27.2 | 36.4 | 0 | 0 | 0 | 113.9 | L53 M95 A102 A103 | L53-P99 HydrophobicContact CD2-CB 4.47Å; M95-P99 WeakPolarHBondContact O-CD 3.03Å; P99-A102 PolarHBondContact O-N 2.92Å; P99-A103 WeakPolarHBondContact O-CB 3.39Å; P99-A103 PolarHBondContact O-N 2.91Å |
| 100 | F | 94 | Very high | 91.1 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 29% | 0.285 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -72.4 | -38.9 | 177.2 | -58.5 | -88.8 | 0 | 0 | 0 | 111.5 | L96 G97 L98 A103 Q104 W110 F112 V120 | L96-F100 WeakPolarHBondContact O-CD2 3.47Å; L96-F100 WeakPolarHBondContact O-CE2 3.4Å; G97-F100 PolarHBondContact O-N 3.3Å; G97-F100 VanDerWaalsContact O-N 3.14Å; L98-F100 PolarHBondContact O-N 3.45Å; F100-A103 PolarHBondContact O-N 2.99Å; F100-Q104 PolarHBondContact O-N 3Å; F100-W110 HydrophobicContact CB-CH2 3.61Å; F100-W110 HydrophobicContact CB-CZ2 4.46Å; F100-W110 HydrophobicContact CB-CZ3 4.02Å; F100-F112 HydrophobicContact CB-CD2 4.29Å; F100-F112 HydrophobicContact CB-CE2 4.08Å; F100-F112 HydrophobicContact CD1-CB 4.45Å; F100-F112 AromaticContact CD1-CD1 3.76Å; F100-F112 HydrophobicContact CD1-CD1 3.76Å; F100-F112 AromaticContact CD1-CD2 3.72Å; F100-F112 HydrophobicContact CD1-CD2 3.72Å; F100-F112 AromaticContact CD1-CE1 3.8Å; F100-F112 HydrophobicContact CD1-CE1 3.8Å; F100-F112 AromaticContact CD1-CE2 3.77Å; F100-F112 HydrophobicContact CD1-CE2 3.77Å; F100-F112 AromaticContact CD1-CG 3.71Å; F100-F112 HydrophobicContact CD1-CG 3.71Å; F100-F112 AromaticContact CD1-CZ 3.81Å; F100-F112 HydrophobicContact CD1-CZ 3.81Å; F100-F112 AromaticContact CE1-CD1 3.94Å; F100-F112 HydrophobicContact CE1-CD1 3.94Å; F100-F112 HydrophobicContact CE1-CE1 4.09Å; F100-F112 HydrophobicContact CE1-CG 4.23Å; F100-F112 HydrophobicContact CG-CE2 4.41Å; F100-V120 HydrophobicContact CB-CG2 4.07Å; F100-V120 HydrophobicContact CD2-CG2 4.01Å; F100-V120 HydrophobicContact CG-CG2 4.12Å |
| 101 | L | 90.9 | Very high | 91 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.6 | -37.8 | 172.4 | -62 | 179.4 | 0 | 0 | 0 | 111.6 | Y52 G97 L98 Q104 N105 W110 V120 | Y52-L101 HydrophobicContact CD2-CB 3.87Å; Y52-L101 HydrophobicContact CE2-CB 3.87Å; G97-L101 PolarHBondContact O-N 3.2Å; L98-L101 HydrophobicContact CD2-CD1 4.4Å; L98-L101 PolarHBondContact O-N 2.93Å; L101-Q104 PolarHBondContact O-N 3.05Å; L101-N105 PolarHBondContact O-N 2.78Å; L101-N105 VanDerWaalsContact O-N 3.14Å; L101-N105 PolarHBondContact O-ND2 3.11Å; L101-W110 HydrophobicContact CD2-CZ3 4.34Å; L101-V120 HydrophobicContact CD1-CG1 4.25Å; L101-V120 HydrophobicContact CD2-CG1 3.86Å; L101-V120 HydrophobicContact CG-CG1 3.81Å |
| 102 | A | 91.6 | Very high | 91 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -46 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P49 Y52 L53 L98 P99 Q104 N105 A106 | P49-A102 HydrophobicContact CB-CB 4.05Å; P49-A102 WeakPolarHBondContact CG-O 3.42Å; Y52-A102 HydrophobicContact CD2-CB 4.44Å; L53-A102 HydrophobicContact CD2-CB 4.25Å; L53-A102 HydrophobicContact CG-CB 4.04Å; L98-A102 WeakPolarHBondContact O-CB 3.46Å; L98-A102 PolarHBondContact O-N 2.93Å; P99-A102 PolarHBondContact O-N 2.92Å; A102-Q104 PolarHBondContact O-N 3.17Å; A102-N105 PolarHBondContact O-N 2.76Å; A102-A106 WeakPolarHBondContact O-CB 3.46Å; A102-A106 PolarHBondContact O-N 3.36Å |
| 103 | A | 91.9 | Very high | 91 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 21% | 0.207 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P99 F100 N105 A106 L107 F112 | P99-A103 WeakPolarHBondContact O-CB 3.39Å; P99-A103 PolarHBondContact O-N 2.91Å; F100-A103 PolarHBondContact O-N 2.99Å; A103-N105 PolarHBondContact O-N 2.97Å; A103-A106 PolarHBondContact O-N 2.98Å; A103-L107 VanDerWaalsContact O-CB 3.24Å; A103-L107 WeakPolarHBondContact O-CB 3.27Å; A103-L107 VanDerWaalsContact O-CG 3.28Å; A103-L107 WeakPolarHBondContact O-CG 3.46Å; A103-L107 PolarHBondContact O-N 3.4Å; A103-F112 HydrophobicContact CB-CE2 3.84Å; A103-F112 HydrophobicContact CB-CZ 3.71Å |
| 104 | Q | 90.6 | Very high | 90.9 | Very high | 29 Ų | 29 | 43.5 Ų | 43.5 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 174.7 | 176.2 | 162.5 | -76.7 | 0 | 0 | 112.7 | F100 L101 A102 S108 Y109 W110 T191 C192 | F100-Q104 PolarHBondContact O-N 3Å; L101-Q104 PolarHBondContact O-N 3.05Å; A102-Q104 PolarHBondContact O-N 3.17Å; Q104-S108 WeakPolarHBondContact O-CA 3.46Å; Q104-S108 PolarHBondContact O-N 3.49Å; Q104-Y109 WeakPolarHBondContact CA-O 3.46Å; Q104-Y109 PolarHBondContact O-N 3.22Å; Q104-W110 HydrophobicContact CB-CE3 4.02Å; Q104-W110 HydrophobicContact CB-CZ3 4.48Å; Q104-T191 HydrophobicContact CG-CG2 4.45Å; Q104-C192 PolarHBondContact NE2-O 3.03Å; Q104-C192 VanDerWaalsContact OE1-CB 3.32Å |
| 105 | N | 87.8 | Confident | 90.8 | Very high | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.193 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.8 | -38.6 | -178.1 | -73.4 | -89 | 0 | 0 | 0 | 111.2 | I48 P49 L101 A102 A103 | I48-N105 HydrophobicContact CB-CB 4.26Å; I48-N105 HydrophobicContact CG2-CB 4.19Å; P49-N105 HydrophobicContact CG-CB 3.89Å; L101-N105 PolarHBondContact O-N 2.78Å; L101-N105 VanDerWaalsContact O-N 3.14Å; L101-N105 PolarHBondContact O-ND2 3.11Å; A102-N105 PolarHBondContact O-N 2.76Å; A103-N105 PolarHBondContact O-N 2.97Å |
| 106 | A | 88.8 | Confident | 90.9 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P49 A102 A103 | P49-A106 HydrophobicContact CB-CB 4.22Å; P49-A106 HydrophobicContact CG-CB 3.77Å; A102-A106 WeakPolarHBondContact O-CB 3.46Å; A102-A106 PolarHBondContact O-N 3.36Å; A103-A106 PolarHBondContact O-N 2.98Å |
| 107 | L | 88.3 | Confident | 90.9 | Very high | 81 Ų | 81 | 47.7 Ų | 47.7 | 42% | 0.424 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -88.1 | -16.9 | -177.6 | -64.3 | 174.4 | 0 | 0 | 0 | 113.4 | A103 Y109 P111 | A103-L107 VanDerWaalsContact O-CB 3.24Å; A103-L107 WeakPolarHBondContact O-CB 3.27Å; A103-L107 VanDerWaalsContact O-CG 3.28Å; A103-L107 WeakPolarHBondContact O-CG 3.46Å; A103-L107 PolarHBondContact O-N 3.4Å; L107-Y109 HydrophobicContact CB-CD1 3.75Å; L107-Y109 HydrophobicContact CB-CE1 3.79Å; L107-Y109 HydrophobicContact CB-CG 4.34Å; L107-Y109 HydrophobicContact CD1-CE1 4.34Å; L107-Y109 HydrophobicContact CD2-CE1 4.34Å; L107-Y109 HydrophobicContact CG-CE1 4.39Å; L107-Y109 VanDerWaalsContact O-CD1 3.26Å; L107-Y109 WeakPolarHBondContact O-CD1 3.24Å; L107-Y109 PolarHBondContact O-N 3.24Å; L107-P111 HydrophobicContact CD1-CG 4.02Å |
| 108 | S | 86.1 | Confident | 91 | Very high | 87 Ų | 87 | 52.2 Ų | 52.2 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 57.7 | 14.4 | -163.7 | -57.3 | 0 | 0 | 0 | 0 | 114.8 | Q104 T191 | Q104-S108 WeakPolarHBondContact O-CA 3.46Å; Q104-S108 PolarHBondContact O-N 3.49Å; S108-T191 WeakPolarHBondContact O-CG2 3.47Å |
| 109 | Y | 88.4 | Confident | 91.1 | Very high | 113 Ų | 113 | 56.2 Ų | 56.2 | 44% | 0.443 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -149 | 164.2 | 174.1 | 75.5 | -91.9 | 0 | 0 | 0 | 113.1 | Q104 L107 P111 S190 | Q104-Y109 WeakPolarHBondContact CA-O 3.46Å; Q104-Y109 PolarHBondContact O-N 3.22Å; L107-Y109 HydrophobicContact CB-CD1 3.75Å; L107-Y109 HydrophobicContact CB-CE1 3.79Å; L107-Y109 HydrophobicContact CB-CG 4.34Å; L107-Y109 HydrophobicContact CD1-CE1 4.34Å; L107-Y109 HydrophobicContact CD2-CE1 4.34Å; L107-Y109 HydrophobicContact CG-CE1 4.39Å; L107-Y109 VanDerWaalsContact O-CD1 3.26Å; L107-Y109 WeakPolarHBondContact O-CD1 3.24Å; L107-Y109 PolarHBondContact O-N 3.24Å; Y109-P111 HydrophobicContact CD2-CB 4.47Å; Y109-P111 HydrophobicContact CE2-CB 3.91Å; Y109-P111 HydrophobicContact CE2-CG 4.4Å; Y109-P111 VanDerWaalsContact O-CD 3.29Å; Y109-P111 WeakPolarHBondContact O-CD 3.44Å; Y109-S190 CarbonylContact C-O 3.58Å; Y109-S190 WeakPolarHBondContact CA-O 3.39Å; Y109-S190 WeakPolarHBondContact CB-O 3.4Å |
| 110 | W | 91.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 5% | 0.045 | 30% | 0.298 | C | S | . | . | trans | -105.4 | 97.6 | -177.7 | -174.9 | -89.5 | 0 | 0 | 0 | 111.9 | F100 L101 Q104 F112 G113 M116 C117 V120 V185 S190 C192 | F100-W110 HydrophobicContact CB-CH2 3.61Å; F100-W110 HydrophobicContact CB-CZ2 4.46Å; F100-W110 HydrophobicContact CB-CZ3 4.02Å; L101-W110 HydrophobicContact CD2-CZ3 4.34Å; Q104-W110 HydrophobicContact CB-CE3 4.02Å; Q104-W110 HydrophobicContact CB-CZ3 4.48Å; W110-F112 VanDerWaalsContact C-N 3.32Å; W110-F112 AromaticContact CD2-CD2 3.93Å; W110-F112 HydrophobicContact CD2-CD2 3.93Å; W110-F112 AromaticContact CE2-CD2 3.74Å; W110-F112 HydrophobicContact CE3-CD2 4.19Å; W110-F112 HydrophobicContact CG-CD2 4.49Å; W110-F112 HydrophobicContact CH2-CD2 4.13Å; W110-F112 HydrophobicContact CZ2-CB 4Å; W110-F112 AromaticContact CZ2-CD2 3.82Å; W110-F112 HydrophobicContact CZ2-CD2 3.82Å; W110-F112 HydrophobicContact CZ2-CG 4.35Å; W110-F112 HydrophobicContact CZ3-CD2 4.29Å; W110-F112 PolarHBondContact O-N 2.88Å; W110-G113 PolarHBondContact NE1-O 3.19Å; W110-M116 VanDerWaalsContact CZ2-C 3.48Å; W110-M116 HydrophobicContact CZ2-CB 3.89Å; W110-C117 VanDerWaalsContact CZ2-CA 3.5Å; W110-C117 HydrophobicContact CZ2-CB 4.13Å; W110-C117 VanDerWaalsContact CZ2-N 3.31Å; W110-V120 HydrophobicContact CH2-CB 4.13Å; W110-V120 HydrophobicContact CH2-CG1 4.39Å; W110-V120 HydrophobicContact CH2-CG2 4.07Å; W110-V185 HydrophobicContact CB-CG2 4.21Å; W110-V185 HydrophobicContact CG-CG2 4Å; W110-S190 PolarHBondContact N-O 3.2Å; W110-C192 HydrophobicContact CB-CB 4.23Å; W110-C192 HydrophobicContact CD2-CB 3.57Å; W110-C192 HydrophobicContact CE3-CB 3.58Å; W110-C192 HydrophobicContact CG-CB 3.86Å; W110-C192 HydrophobicContact CZ3-CB 4.2Å | ||
| 111 | P | 90.2 | Very high | 91.1 | Very high | 65 Ų | 65 | 53.1 Ų | 53.1 | 42% | 0.422 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -19.9 | 179.8 | 27.1 | -34.2 | 0 | 0 | 0 | 114 | L107 Y109 G113 | L107-P111 HydrophobicContact CD1-CG 4.02Å; Y109-P111 HydrophobicContact CD2-CB 4.47Å; Y109-P111 HydrophobicContact CE2-CB 3.91Å; Y109-P111 HydrophobicContact CE2-CG 4.4Å; Y109-P111 VanDerWaalsContact O-CD 3.29Å; Y109-P111 WeakPolarHBondContact O-CD 3.44Å; P111-G113 VanDerWaalsContact C-N 3.29Å; P111-G113 PolarHBondContact O-N 3Å |
| 112 | F | 92.1 | Very high | 91.3 | Very high | 75 Ų | 75 | 52.8 Ų | 52.8 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 5.7 | -163.8 | -42.5 | -78.3 | 0 | 0 | 0 | 115.2 | F100 A103 W110 M116 | F100-F112 HydrophobicContact CB-CD2 4.29Å; F100-F112 HydrophobicContact CB-CE2 4.08Å; F100-F112 HydrophobicContact CD1-CB 4.45Å; F100-F112 AromaticContact CD1-CD1 3.76Å; F100-F112 HydrophobicContact CD1-CD1 3.76Å; F100-F112 AromaticContact CD1-CD2 3.72Å; F100-F112 HydrophobicContact CD1-CD2 3.72Å; F100-F112 AromaticContact CD1-CE1 3.8Å; F100-F112 HydrophobicContact CD1-CE1 3.8Å; F100-F112 AromaticContact CD1-CE2 3.77Å; F100-F112 HydrophobicContact CD1-CE2 3.77Å; F100-F112 AromaticContact CD1-CG 3.71Å; F100-F112 HydrophobicContact CD1-CG 3.71Å; F100-F112 AromaticContact CD1-CZ 3.81Å; F100-F112 HydrophobicContact CD1-CZ 3.81Å; F100-F112 AromaticContact CE1-CD1 3.94Å; F100-F112 HydrophobicContact CE1-CD1 3.94Å; F100-F112 HydrophobicContact CE1-CE1 4.09Å; F100-F112 HydrophobicContact CE1-CG 4.23Å; F100-F112 HydrophobicContact CG-CE2 4.41Å; A103-F112 HydrophobicContact CB-CE2 3.84Å; A103-F112 HydrophobicContact CB-CZ 3.71Å; W110-F112 VanDerWaalsContact C-N 3.32Å; W110-F112 AromaticContact CD2-CD2 3.93Å; W110-F112 HydrophobicContact CD2-CD2 3.93Å; W110-F112 AromaticContact CE2-CD2 3.74Å; W110-F112 HydrophobicContact CE3-CD2 4.19Å; W110-F112 HydrophobicContact CG-CD2 4.49Å; W110-F112 HydrophobicContact CH2-CD2 4.13Å; W110-F112 HydrophobicContact CZ2-CB 4Å; W110-F112 AromaticContact CZ2-CD2 3.82Å; W110-F112 HydrophobicContact CZ2-CD2 3.82Å; W110-F112 HydrophobicContact CZ2-CG 4.35Å; W110-F112 HydrophobicContact CZ3-CD2 4.29Å; W110-F112 PolarHBondContact O-N 2.88Å; F112-M116 HydrophobicContact CB-CB 3.72Å; F112-M116 HydrophobicContact CB-CG 4.09Å; F112-M116 WeakPolarHBondContact O-CB 3.49Å; F112-M116 WeakPolarHBondContact O-CG 3.36Å |
| 113 | G | 90.5 | Very high | 91.4 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | 69.5 | 169.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | W110 P111 L115 M116 C117 | W110-G113 PolarHBondContact NE1-O 3.19Å; P111-G113 VanDerWaalsContact C-N 3.29Å; P111-G113 PolarHBondContact O-N 3Å; G113-L115 VanDerWaalsContact C-N 3.31Å; G113-L115 PolarHBondContact O-N 2.9Å; G113-M116 PolarHBondContact O-N 3.5Å; G113-C117 PolarHBondContact O-N 2.9Å |
| 114 | S | 90.1 | Very high | 91.4 | Very high | 49 Ų | 49 | 55 Ų | 55 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.2 | -21.4 | -169 | -164.9 | 0 | 0 | 0 | 0 | 114.9 | R118 G184 V185 | S114-R118 WeakPolarHBondContact O-CG 3.26Å; S114-R118 PolarHBondContact O-N 3.11Å; S114-R118 VanDerWaalsContact O-N 3.16Å; S114-G184 VanDerWaalsContact OG-CA 3.28Å; S114-G184 WeakPolarHBondContact OG-CA 3.29Å; S114-V185 PolarHBondContact OG-N 3.46Å |
| 115 | L | 91.9 | Very high | 91.5 | Very high | 120 Ų | 120 | 53.8 Ų | 53.8 | 63% | 0.628 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -69.1 | -48.3 | 175.7 | 177 | 60 | 0 | 0 | 0 | 111 | G113 C117 R118 L119 | G113-L115 VanDerWaalsContact C-N 3.31Å; G113-L115 PolarHBondContact O-N 2.9Å; L115-C117 VanDerWaalsContact C-N 3.29Å; L115-C117 PolarHBondContact O-N 3.3Å; L115-R118 PolarHBondContact O-N 2.99Å; L115-L119 HydrophobicContact CD1-CD1 4.19Å; L115-L119 HydrophobicContact CD1-CG 4.33Å; L115-L119 HydrophobicContact CG-CD1 4.04Å; L115-L119 WeakPolarHBondContact O-CG 3.19Å; L115-L119 PolarHBondContact O-N 2.96Å |
| 116 | M | 92.8 | Very high | 91.8 | Very high | 73 Ų | 73 | 53.9 Ų | 53.9 | 36% | 0.36 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.5 | -34.2 | 177.9 | -66.6 | -63.1 | 144.3 | 0 | 0 | 111.5 | W110 F112 G113 R118 L119 V120 | W110-M116 VanDerWaalsContact CZ2-C 3.48Å; W110-M116 HydrophobicContact CZ2-CB 3.89Å; F112-M116 HydrophobicContact CB-CB 3.72Å; F112-M116 HydrophobicContact CB-CG 4.09Å; F112-M116 WeakPolarHBondContact O-CB 3.49Å; F112-M116 WeakPolarHBondContact O-CG 3.36Å; G113-M116 PolarHBondContact O-N 3.5Å; M116-R118 PolarHBondContact O-N 3.21Å; M116-L119 HydrophobicContact CE-CD1 3.85Å; M116-L119 PolarHBondContact O-N 3.42Å; M116-L119 HydrophobicContact SD-CD1 3.94Å; M116-V120 WeakPolarHBondContact O-CB 3.24Å; M116-V120 WeakPolarHBondContact O-CG2 3.21Å; M116-V120 PolarHBondContact O-N 3.39Å |
| 117 | C | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.8 | -49.8 | 172.2 | 172.7 | 0 | 0 | 0 | 0 | 111 | W110 G113 L115 L119 M121 G184 V185 C192 | W110-C117 VanDerWaalsContact CZ2-CA 3.5Å; W110-C117 HydrophobicContact CZ2-CB 4.13Å; W110-C117 VanDerWaalsContact CZ2-N 3.31Å; G113-C117 PolarHBondContact O-N 2.9Å; L115-C117 VanDerWaalsContact C-N 3.29Å; L115-C117 PolarHBondContact O-N 3.3Å; C117-L119 PolarHBondContact O-N 2.79Å; C117-M121 WeakPolarHBondContact O-CB 3.38Å; C117-M121 WeakPolarHBondContact O-CG 3.25Å; C117-M121 PolarHBondContact O-N 3.44Å; C117-G184 VanDerWaalsContact SG-C 3.58Å; C117-G184 VanDerWaalsContact SG-CA 3.52Å; C117-V185 HydrophobicContact CB-CG2 4.09Å; C117-C192 WeakPolarHBondContact CA-SG 3.29Å; C117-C192 HydrophobicContact CB-CB 3.72Å; C117-C192 WeakPolarHBondContact CB-SG 3.25Å; C117-C192 VanDerWaalsContact SG-CA 3.56Å; C117-C192 WeakPolarHBondContact SG-CB 3.33Å; C117-C192 CovalentContact SG-SG 2.03Å; C117-C192 PolarHBondContact SG-SG 3.42Å |
| 118 | R | 94.9 | Very high | 92.1 | Very high | 102 Ų | 102 | 48.9 Ų | 48.9 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 176.2 | -74.6 | 175.9 | 176.8 | -158.3 | -10 | 112.9 | S114 L115 M116 A122 V180 V181 S183 | S114-R118 WeakPolarHBondContact O-CG 3.26Å; S114-R118 PolarHBondContact O-N 3.11Å; S114-R118 VanDerWaalsContact O-N 3.16Å; L115-R118 PolarHBondContact O-N 2.99Å; M116-R118 PolarHBondContact O-N 3.21Å; R118-A122 WeakPolarHBondContact O-CB 3.49Å; R118-A122 PolarHBondContact O-N 3.44Å; R118-V180 WeakPolarHBondContact CD-O 3.17Å; R118-V180 PolarHBondContact NE-O 3.11Å; R118-V181 PolarHBondContact NH2-O 2.95Å; R118-S183 WeakPolarHBondContact CA-OG 3.35Å; R118-S183 WeakPolarHBondContact CG-O 3.47Å; R118-S183 WeakPolarHBondContact CG-OG 3.29Å; R118-S183 PolarHBondContact NE-O 2.97Å; R118-S183 PolarHBondContact NH2-O 3.44Å |
| 119 | L | 94.4 | Very high | 92.4 | Very high | 84 Ų | 84 | 44.9 Ų | 44.9 | 44% | 0.44 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.1 | -47.5 | 179.7 | -71.1 | 170 | 0 | 0 | 0 | 112.1 | L115 M116 C117 A122 V123 | L115-L119 HydrophobicContact CD1-CD1 4.19Å; L115-L119 HydrophobicContact CD1-CG 4.33Å; L115-L119 HydrophobicContact CG-CD1 4.04Å; L115-L119 WeakPolarHBondContact O-CG 3.19Å; L115-L119 PolarHBondContact O-N 2.96Å; M116-L119 HydrophobicContact CE-CD1 3.85Å; M116-L119 PolarHBondContact O-N 3.42Å; M116-L119 HydrophobicContact SD-CD1 3.94Å; C117-L119 PolarHBondContact O-N 2.79Å; L119-A122 PolarHBondContact O-N 3.33Å; L119-V123 WeakPolarHBondContact O-CB 3.15Å; L119-V123 VanDerWaalsContact O-CG2 3.26Å; L119-V123 WeakPolarHBondContact O-CG2 3.25Å; L119-V123 PolarHBondContact O-N 2.94Å |
| 120 | V | 94.6 | Very high | 92.6 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -45.8 | -179.1 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | F100 L101 W110 M116 A122 V123 D124 | F100-V120 HydrophobicContact CB-CG2 4.07Å; F100-V120 HydrophobicContact CD2-CG2 4.01Å; F100-V120 HydrophobicContact CG-CG2 4.12Å; L101-V120 HydrophobicContact CD1-CG1 4.25Å; L101-V120 HydrophobicContact CD2-CG1 3.86Å; L101-V120 HydrophobicContact CG-CG1 3.81Å; W110-V120 HydrophobicContact CH2-CB 4.13Å; W110-V120 HydrophobicContact CH2-CG1 4.39Å; W110-V120 HydrophobicContact CH2-CG2 4.07Å; M116-V120 WeakPolarHBondContact O-CB 3.24Å; M116-V120 WeakPolarHBondContact O-CG2 3.21Å; M116-V120 PolarHBondContact O-N 3.39Å; V120-A122 VanDerWaalsContact C-N 3.33Å; V120-A122 PolarHBondContact O-N 2.85Å; V120-V123 PolarHBondContact O-N 2.97Å; V120-D124 PolarHBondContact O-N 3.29Å |
| 121 | M | 93.4 | Very high | 92.5 | Very high | 41 Ų | 41 | 39 Ų | 39 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.2 | -38.1 | 175.7 | -66.1 | -62.9 | -58.3 | 0 | 0 | 112.3 | C117 G125 V179 M194 | C117-M121 WeakPolarHBondContact O-CB 3.38Å; C117-M121 WeakPolarHBondContact O-CG 3.25Å; C117-M121 PolarHBondContact O-N 3.44Å; M121-G125 PolarHBondContact O-N 3.34Å; M121-V179 HydrophobicContact CB-CG1 3.7Å; M121-M194 HydrophobicContact CE-CG 4.26Å |
| 122 | A | 94.3 | Very high | 92.5 | Very high | 10 Ų | 10 | 36 Ų | 36 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.7 | -37.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R118 L119 V120 G125 I126 V176 V180 | R118-A122 WeakPolarHBondContact O-CB 3.49Å; R118-A122 PolarHBondContact O-N 3.44Å; L119-A122 PolarHBondContact O-N 3.33Å; V120-A122 VanDerWaalsContact C-N 3.33Å; V120-A122 PolarHBondContact O-N 2.85Å; A122-G125 PolarHBondContact O-N 3.35Å; A122-I126 VanDerWaalsContact O-CB 3.32Å; A122-I126 WeakPolarHBondContact O-CB 3.41Å; A122-I126 WeakPolarHBondContact O-CD1 3.27Å; A122-I126 WeakPolarHBondContact O-CG1 3.06Å; A122-I126 PolarHBondContact O-N 3.07Å; A122-V176 HydrophobicContact CB-CG1 4.13Å; A122-V180 HydrophobicContact CB-CG2 3.81Å |
| 123 | V | 93.7 | Very high | 92.6 | Very high | 42 Ų | 42 | 34.3 Ų | 34.3 | 26% | 0.255 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -69.1 | -38.5 | 177.4 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L93 F94 L119 V120 I126 N127 | L93-V123 HydrophobicContact CB-CG1 4.09Å; L93-V123 WeakPolarHBondContact O-CG1 3.15Å; F94-V123 HydrophobicContact CB-CG1 4.47Å; L119-V123 WeakPolarHBondContact O-CB 3.15Å; L119-V123 VanDerWaalsContact O-CG2 3.26Å; L119-V123 WeakPolarHBondContact O-CG2 3.25Å; L119-V123 PolarHBondContact O-N 2.94Å; V120-V123 PolarHBondContact O-N 2.97Å; V123-I126 PolarHBondContact O-N 2.71Å; V123-N127 WeakPolarHBondContact O-CB 3.37Å; V123-N127 PolarHBondContact O-N 3.05Å |
| 124 | D | 92.1 | Very high | 92.5 | Very high | 34 Ų | 34 | 32.7 Ų | 32.7 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.8 | -53.5 | 171.1 | -179.6 | 56.6 | 0 | 0 | 0 | 111.6 | F94 V120 I126 N127 Q128 | F94-D124 HydrophobicContact CD2-CB 4.37Å; F94-D124 VanDerWaalsContact CE2-OD1 3.29Å; F94-D124 WeakPolarHBondContact CE2-OD1 3.47Å; V120-D124 PolarHBondContact O-N 3.29Å; D124-I126 PolarHBondContact O-N 3.4Å; D124-N127 PolarHBondContact O-N 3.25Å; D124-Q128 PolarHBondContact O-N 3.24Å |
| 125 | G | 92.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M121 A122 N127 Q128 F129 | M121-G125 PolarHBondContact O-N 3.34Å; A122-G125 PolarHBondContact O-N 3.35Å; G125-N127 VanDerWaalsContact C-N 3.3Å; G125-N127 PolarHBondContact O-N 3.28Å; G125-Q128 WeakPolarHBondContact O-CB 3.41Å; G125-Q128 PolarHBondContact O-N 2.91Å; G125-F129 WeakPolarHBondContact O-CD2 3.24Å; G125-F129 PolarHBondContact O-N 2.64Å |
| 126 | I | 93.4 | Very high | 92.3 | Very high | 39 Ų | 39 | 25.8 Ų | 25.8 | 20% | 0.2 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.2 | -40.7 | 178.7 | -76.2 | 164.5 | 0 | 0 | 0 | 110.3 | A122 V123 D124 T130 W169 V176 | A122-I126 VanDerWaalsContact O-CB 3.32Å; A122-I126 WeakPolarHBondContact O-CB 3.41Å; A122-I126 WeakPolarHBondContact O-CD1 3.27Å; A122-I126 WeakPolarHBondContact O-CG1 3.06Å; A122-I126 PolarHBondContact O-N 3.07Å; V123-I126 PolarHBondContact O-N 2.71Å; D124-I126 PolarHBondContact O-N 3.4Å; I126-T130 WeakPolarHBondContact O-CB 3.2Å; I126-T130 PolarHBondContact O-N 3.16Å; I126-T130 PolarHBondContact O-OG1 3.27Å; I126-W169 HydrophobicContact CG2-CE3 3.92Å; I126-W169 HydrophobicContact CG2-CZ3 3.65Å; I126-V176 HydrophobicContact CG1-CB 4.22Å; I126-V176 HydrophobicContact CG1-CG1 4.15Å; I126-V176 HydrophobicContact CG1-CG2 4.13Å |
| 127 | N | 92.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.6 | -46.8 | 175.8 | -177.8 | 34.4 | 0 | 0 | 0 | 112 | A90 D91 F94 V123 D124 G125 F129 T130 S131 S306 | A90-N127 WeakPolarHBondContact CB-OD1 3.19Å; A90-N127 PolarHBondContact O-OD1 3.27Å; D91-N127 PolarHBondContact N-OD1 2.84Å; D91-N127 PolarHBondContact OD1-OD1 3.39Å; F94-N127 HydrophobicContact CB-CB 3.67Å; F94-N127 WeakPolarHBondContact CB-ND2 3.48Å; F94-N127 WeakPolarHBondContact CD1-ND2 3.37Å; F94-N127 HydrophobicContact CG-CB 4.28Å; F94-N127 WeakPolarHBondContact CG-ND2 3.24Å; V123-N127 WeakPolarHBondContact O-CB 3.37Å; V123-N127 PolarHBondContact O-N 3.05Å; D124-N127 PolarHBondContact O-N 3.25Å; G125-N127 VanDerWaalsContact C-N 3.3Å; G125-N127 PolarHBondContact O-N 3.28Å; N127-F129 PolarHBondContact O-N 2.82Å; N127-T130 PolarHBondContact O-N 3.15Å; N127-S131 WeakPolarHBondContact O-CB 3.46Å; N127-S131 PolarHBondContact O-N 3.02Å; N127-S131 PolarHBondContact O-OG 3.33Å; N127-S131 PolarHBondContact OD1-OG 2.97Å; N127-S306 PolarHBondContact ND2-OG 3.43Å; N127-S306 VanDerWaalsContact ND2-OG 3.17Å |
| 128 | Q | 91.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 24.2 Ų | 24.2 | 11% | 0.112 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -50 | -56.9 | 175.2 | 171.1 | -175.6 | 54.4 | 0 | 0 | 111.8 | D124 G125 I132 W270 Y274 | D124-Q128 PolarHBondContact O-N 3.24Å; G125-Q128 WeakPolarHBondContact O-CB 3.41Å; G125-Q128 PolarHBondContact O-N 2.91Å; Q128-I132 WeakPolarHBondContact O-CG2 3.29Å; Q128-I132 PolarHBondContact O-N 3.03Å; Q128-W270 HydrophobicContact CB-CH2 3.81Å; Q128-W270 HydrophobicContact CB-CZ2 4.18Å; Q128-W270 HydrophobicContact CG-CH2 3.54Å; Q128-W270 HydrophobicContact CG-CZ2 4.04Å; Q128-W270 HydrophobicContact CG-CZ3 3.95Å; Q128-Y274 PolarHBondContact NE2-OH 3.36Å |
| 129 | F | 93.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 1% | 0.013 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71.9 | -40.6 | -177.6 | -70.2 | -70.8 | 0 | 0 | 0 | 112.7 | G125 N127 S131 I132 F133 V175 V176 T211 L214 G215 | G125-F129 WeakPolarHBondContact O-CD2 3.24Å; G125-F129 PolarHBondContact O-N 2.64Å; N127-F129 PolarHBondContact O-N 2.82Å; F129-S131 VanDerWaalsContact C-N 3.31Å; F129-S131 PolarHBondContact O-N 3.07Å; F129-I132 WeakPolarHBondContact O-CG2 3.19Å; F129-I132 PolarHBondContact O-N 3.47Å; F129-F133 HydrophobicContact CB-CD2 4.26Å; F129-F133 HydrophobicContact CB-CE2 3.89Å; F129-F133 HydrophobicContact CB-CZ 4.29Å; F129-F133 HydrophobicContact CD1-CE1 4.45Å; F129-F133 HydrophobicContact CD1-CE2 4.37Å; F129-F133 AromaticContact CD1-CZ 3.93Å; F129-F133 HydrophobicContact CD1-CZ 3.93Å; F129-F133 VanDerWaalsContact O-CB 3.26Å; F129-F133 WeakPolarHBondContact O-CB 3.42Å; F129-F133 VanDerWaalsContact O-CD2 3.3Å; F129-F133 WeakPolarHBondContact O-CD2 3.16Å; F129-F133 WeakPolarHBondContact O-CG 3.2Å; F129-F133 PolarHBondContact O-N 3.31Å; F129-V175 HydrophobicContact CD1-CG1 3.71Å; F129-V175 HydrophobicContact CD2-CB 4.49Å; F129-V175 HydrophobicContact CD2-CG1 3.75Å; F129-V175 HydrophobicContact CE1-CG1 3.54Å; F129-V175 HydrophobicContact CE2-CG1 3.62Å; F129-V175 HydrophobicContact CG-CB 4.46Å; F129-V175 HydrophobicContact CG-CG1 3.83Å; F129-V175 HydrophobicContact CZ-CG1 3.52Å; F129-V176 HydrophobicContact CD2-CG2 3.61Å; F129-V176 HydrophobicContact CE2-CG2 4.12Å; F129-T211 HydrophobicContact CZ-CG2 4.01Å; F129-L214 HydrophobicContact CE1-CB 4.14Å; F129-G215 VanDerWaalsContact CE1-CA 3.49Å |
| 130 | T | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 179 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | A90 I126 N127 C134 V168 W169 S172 | A90-T130 HydrophobicContact CB-CG2 3.99Å; I126-T130 WeakPolarHBondContact O-CB 3.2Å; I126-T130 PolarHBondContact O-N 3.16Å; I126-T130 PolarHBondContact O-OG1 3.27Å; N127-T130 PolarHBondContact O-N 3.15Å; T130-C134 VanDerWaalsContact O-CB 3.24Å; T130-C134 WeakPolarHBondContact O-CB 3.46Å; T130-C134 PolarHBondContact O-N 3.08Å; T130-C134 PolarHBondContact O-SG 3.4Å; T130-V168 HydrophobicContact CG2-CG1 4.18Å; T130-W169 HydrophobicContact CG2-CD2 4.19Å; T130-W169 HydrophobicContact CG2-CE3 4.46Å; T130-W169 HydrophobicContact CG2-CH2 4.46Å; T130-W169 HydrophobicContact CG2-CZ2 4.18Å; T130-S172 VanDerWaalsContact CA-OG 3.29Å; T130-S172 WeakPolarHBondContact CA-OG 3.41Å; T130-S172 PolarHBondContact N-OG 3.43Å; T130-S172 VanDerWaalsContact N-OG 3.08Å; T130-S172 VanDerWaalsContact OG1-CB 3.25Å; T130-S172 WeakPolarHBondContact OG1-CB 3.48Å; T130-S172 PolarHBondContact OG1-OG 3.43Å |
| 131 | S | 89.6 | Confident | 90.8 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.1 | -60.1 | 174.7 | -77 | 0 | 0 | 0 | 0 | 111.5 | L87 N127 F129 F133 C134 L135 | L87-S131 VanDerWaalsContact CD1-OG 3.28Å; L87-S131 WeakPolarHBondContact CD1-OG 3.36Å; N127-S131 WeakPolarHBondContact O-CB 3.46Å; N127-S131 PolarHBondContact O-N 3.02Å; N127-S131 PolarHBondContact O-OG 3.33Å; N127-S131 PolarHBondContact OD1-OG 2.97Å; F129-S131 VanDerWaalsContact C-N 3.31Å; F129-S131 PolarHBondContact O-N 3.07Å; S131-F133 PolarHBondContact O-N 2.98Å; S131-C134 PolarHBondContact O-N 3.02Å; S131-L135 WeakPolarHBondContact O-CG 3.4Å; S131-L135 PolarHBondContact O-N 3.32Å |
| 132 | I | 90.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -69 | -34.1 | -174.5 | -171.3 | 49.8 | 0 | 0 | 0 | 113 | Q128 F129 L135 T136 P219 I223 F266 | Q128-I132 WeakPolarHBondContact O-CG2 3.29Å; Q128-I132 PolarHBondContact O-N 3.03Å; F129-I132 WeakPolarHBondContact O-CG2 3.19Å; F129-I132 PolarHBondContact O-N 3.47Å; I132-L135 HydrophobicContact CD1-CB 4.38Å; I132-L135 HydrophobicContact CD1-CD1 4.47Å; I132-L135 PolarHBondContact O-N 3.39Å; I132-T136 WeakPolarHBondContact O-CB 3.12Å; I132-T136 PolarHBondContact O-N 2.99Å; I132-T136 PolarHBondContact O-OG1 3.27Å; I132-P219 HydrophobicContact CD1-CB 3.83Å; I132-P219 HydrophobicContact CG1-CB 3.38Å; I132-P219 HydrophobicContact CG1-CG 3.81Å; I132-P219 HydrophobicContact CG2-CG 4.45Å; I132-I223 HydrophobicContact CD1-CD1 3.96Å; I132-F266 HydrophobicContact CB-CE1 4.47Å; I132-F266 HydrophobicContact CB-CE2 3.79Å; I132-F266 HydrophobicContact CB-CZ 3.66Å; I132-F266 HydrophobicContact CD1-CD1 3.79Å; I132-F266 HydrophobicContact CD1-CD2 4.24Å; I132-F266 HydrophobicContact CD1-CE1 3.4Å; I132-F266 HydrophobicContact CD1-CE2 3.89Å; I132-F266 HydrophobicContact CD1-CG 4.2Å; I132-F266 HydrophobicContact CD1-CZ 3.47Å; I132-F266 VanDerWaalsContact CD1-CZ 3.47Å; I132-F266 HydrophobicContact CG1-CE1 3.85Å; I132-F266 HydrophobicContact CG1-CE2 4.06Å; I132-F266 HydrophobicContact CG1-CZ 3.51Å |
| 133 | F | 92.9 | Very high | 90.1 | Very high | 40 Ų | 40 | 19.8 Ų | 19.8 | 18% | 0.175 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.2 | -39.7 | 172.8 | -65.2 | -18 | 0 | 0 | 0 | 111.6 | F129 S131 T136 V137 V168 A171 L214 P219 | F129-F133 HydrophobicContact CB-CD2 4.26Å; F129-F133 HydrophobicContact CB-CE2 3.89Å; F129-F133 HydrophobicContact CB-CZ 4.29Å; F129-F133 HydrophobicContact CD1-CE1 4.45Å; F129-F133 HydrophobicContact CD1-CE2 4.37Å; F129-F133 AromaticContact CD1-CZ 3.93Å; F129-F133 HydrophobicContact CD1-CZ 3.93Å; F129-F133 VanDerWaalsContact O-CB 3.26Å; F129-F133 WeakPolarHBondContact O-CB 3.42Å; F129-F133 VanDerWaalsContact O-CD2 3.3Å; F129-F133 WeakPolarHBondContact O-CD2 3.16Å; F129-F133 WeakPolarHBondContact O-CG 3.2Å; F129-F133 PolarHBondContact O-N 3.31Å; S131-F133 PolarHBondContact O-N 2.98Å; F133-T136 PolarHBondContact O-N 3.06Å; F133-V137 WeakPolarHBondContact O-CB 3.19Å; F133-V137 WeakPolarHBondContact O-CG2 3.38Å; F133-V137 PolarHBondContact O-N 3.28Å; F133-V168 HydrophobicContact CB-CB 4.49Å; F133-V168 HydrophobicContact CB-CG1 3.62Å; F133-V168 HydrophobicContact CB-CG2 4.13Å; F133-V168 HydrophobicContact CD2-CG1 4.36Å; F133-A171 HydrophobicContact CD2-CB 4.42Å; F133-A171 HydrophobicContact CE2-CB 4.21Å; F133-L214 WeakPolarHBondContact CE1-O 3.28Å; F133-P219 HydrophobicContact CE1-CG 4.45Å |
| 134 | C | 88.8 | Confident | 89.8 | Confident | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 172.2 | -74.6 | 0 | 0 | 0 | 0 | 112.2 | T130 S131 T136 V137 M138 | T130-C134 VanDerWaalsContact O-CB 3.24Å; T130-C134 WeakPolarHBondContact O-CB 3.46Å; T130-C134 PolarHBondContact O-N 3.08Å; T130-C134 PolarHBondContact O-SG 3.4Å; S131-C134 PolarHBondContact O-N 3.02Å; C134-T136 VanDerWaalsContact C-N 3.32Å; C134-T136 PolarHBondContact O-N 3.44Å; C134-V137 PolarHBondContact O-N 2.93Å; C134-M138 WeakPolarHBondContact O-CB 3.22Å; C134-M138 VanDerWaalsContact O-CG 3.24Å; C134-M138 WeakPolarHBondContact O-CG 3.44Å; C134-M138 PolarHBondContact O-N 3.43Å |
| 135 | L | 86.1 | Confident | 89.4 | Confident | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.7 | -37.8 | 175.6 | -63.5 | -175.2 | 0 | 0 | 0 | 112.6 | S131 I132 M138 S139 I223 V262 F266 | S131-L135 WeakPolarHBondContact O-CG 3.4Å; S131-L135 PolarHBondContact O-N 3.32Å; I132-L135 HydrophobicContact CD1-CB 4.38Å; I132-L135 HydrophobicContact CD1-CD1 4.47Å; I132-L135 PolarHBondContact O-N 3.39Å; L135-M138 HydrophobicContact CD2-SD 4.41Å; L135-S139 WeakPolarHBondContact O-CB 3.39Å; L135-S139 PolarHBondContact O-N 2.85Å; L135-S139 PolarHBondContact O-OG 3.42Å; L135-I223 HydrophobicContact CB-CD1 4.41Å; L135-V262 HydrophobicContact CD1-CG1 3.82Å; L135-V262 HydrophobicContact CD2-CB 4.43Å; L135-V262 HydrophobicContact CD2-CG1 3.44Å; L135-V262 VanDerWaalsContact CD2-CG1 3.44Å; L135-V262 HydrophobicContact CG-CG1 4.28Å; L135-F266 HydrophobicContact CD1-CB 4.11Å; L135-F266 HydrophobicContact CD1-CD2 4.04Å; L135-F266 HydrophobicContact CD1-CG 4.17Å |
| 136 | T | 91.8 | Very high | 88.9 | Confident | 20 Ų | 20 | 21 Ų | 21 | 12% | 0.123 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.2 | -49.3 | 175.7 | -55 | 0 | 0 | 0 | 0 | 110.9 | I132 F133 C134 M138 S139 V140 P219 V222 I223 | I132-T136 WeakPolarHBondContact O-CB 3.12Å; I132-T136 PolarHBondContact O-N 2.99Å; I132-T136 PolarHBondContact O-OG1 3.27Å; F133-T136 PolarHBondContact O-N 3.06Å; C134-T136 VanDerWaalsContact C-N 3.32Å; C134-T136 PolarHBondContact O-N 3.44Å; T136-M138 PolarHBondContact O-N 3.21Å; T136-S139 WeakPolarHBondContact O-CB 3.3Å; T136-S139 PolarHBondContact O-N 3.36Å; T136-S139 VanDerWaalsContact O-N 3.11Å; T136-V140 WeakPolarHBondContact O-CG2 3.12Å; T136-V140 PolarHBondContact O-N 2.86Å; T136-P219 WeakPolarHBondContact OG1-CB 3.5Å; T136-V222 HydrophobicContact CG2-CB 4.01Å; T136-V222 HydrophobicContact CG2-CG1 3.64Å; T136-I223 HydrophobicContact CG2-CG1 4.45Å |
| 137 | V | 90.9 | Very high | 88.5 | Confident | 31 Ų | 31 | 20.1 Ų | 20.1 | 19% | 0.188 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.8 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | Y83 F133 C134 S139 V140 D141 V164 V168 | Y83-V137 HydrophobicContact CD1-CG1 4.42Å; Y83-V137 HydrophobicContact CE1-CG1 3.7Å; Y83-V137 HydrophobicContact CE2-CG1 3.78Å; Y83-V137 VanDerWaalsContact OH-CG1 3.31Å; Y83-V137 WeakPolarHBondContact OH-CG1 3.38Å; F133-V137 WeakPolarHBondContact O-CB 3.19Å; F133-V137 WeakPolarHBondContact O-CG2 3.38Å; F133-V137 PolarHBondContact O-N 3.28Å; C134-V137 PolarHBondContact O-N 2.93Å; V137-S139 VanDerWaalsContact C-N 3.3Å; V137-S139 PolarHBondContact O-N 2.76Å; V137-V140 PolarHBondContact O-N 3.07Å; V137-D141 WeakPolarHBondContact O-CB 3.31Å; V137-D141 PolarHBondContact O-N 3.32Å; V137-V164 HydrophobicContact CB-CG1 4.45Å; V137-V164 HydrophobicContact CG1-CG1 3.61Å; V137-V164 HydrophobicContact CG2-CG1 3.93Å; V137-V168 HydrophobicContact CG2-CG2 4.06Å |
| 138 | M | 85.7 | Confident | 88.1 | Confident | 9 Ų | 9 | 23.1 Ų | 23.1 | 4% | 0.044 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.3 | -39.8 | 173.4 | -75.9 | 172.1 | 69.2 | 0 | 0 | 111.9 | Y83 C134 L135 T136 R142 | Y83-M138 HydrophobicContact CD2-CG 3.61Å; Y83-M138 HydrophobicContact CG-CG 3.91Å; C134-M138 WeakPolarHBondContact O-CB 3.22Å; C134-M138 VanDerWaalsContact O-CG 3.24Å; C134-M138 WeakPolarHBondContact O-CG 3.44Å; C134-M138 PolarHBondContact O-N 3.43Å; L135-M138 HydrophobicContact CD2-SD 4.41Å; T136-M138 PolarHBondContact O-N 3.21Å; M138-R142 WeakPolarHBondContact O-CG 3.48Å; M138-R142 PolarHBondContact O-N 3.46Å; M138-R142 VanDerWaalsContact O-N 3.12Å |
| 139 | S | 86.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68 | -40.6 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 112 | L135 T136 V137 R142 Y143 | L135-S139 WeakPolarHBondContact O-CB 3.39Å; L135-S139 PolarHBondContact O-N 2.85Å; L135-S139 PolarHBondContact O-OG 3.42Å; T136-S139 WeakPolarHBondContact O-CB 3.3Å; T136-S139 PolarHBondContact O-N 3.36Å; T136-S139 VanDerWaalsContact O-N 3.11Å; V137-S139 VanDerWaalsContact C-N 3.3Å; V137-S139 PolarHBondContact O-N 2.76Å; S139-R142 PolarHBondContact O-N 3.29Å; S139-Y143 PolarHBondContact O-N 2.97Å |
| 140 | V | 90.1 | Very high | 87.1 | Confident | 53 Ų | 53 | 30.8 Ų | 30.8 | 32% | 0.321 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.9 | -42.9 | 174.6 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | T136 V137 R142 Y143 L144 V222 | T136-V140 WeakPolarHBondContact O-CG2 3.12Å; T136-V140 PolarHBondContact O-N 2.86Å; V137-V140 PolarHBondContact O-N 3.07Å; V140-R142 VanDerWaalsContact C-N 3.28Å; V140-R142 PolarHBondContact O-N 3.45Å; V140-Y143 WeakPolarHBondContact O-CB 3.41Å; V140-Y143 PolarHBondContact O-N 3.47Å; V140-Y143 VanDerWaalsContact O-N 3.17Å; V140-L144 HydrophobicContact CG1-CD1 4.17Å; V140-L144 HydrophobicContact CG1-CG 4.4Å; V140-L144 WeakPolarHBondContact O-CG 3.38Å; V140-L144 PolarHBondContact O-N 3.46Å; V140-V222 HydrophobicContact CG2-CG1 4.19Å |
| 141 | D | 86.4 | Confident | 86.5 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.2 | -40.3 | 173.2 | 158.6 | 81.8 | 0 | 0 | 0 | 111.9 | V137 A145 R156 | V137-D141 WeakPolarHBondContact O-CB 3.31Å; V137-D141 PolarHBondContact O-N 3.32Å; D141-A145 WeakPolarHBondContact O-CB 3.33Å; D141-A145 PolarHBondContact O-N 2.88Å; D141-R156 IonicContact OD1-CZ 3.54Å; D141-R156 IonicContact OD1-NE 2.72Å; D141-R156 PolarHBondContact OD1-NE 2.93Å; D141-R156 IonicContact OD1-NH2 3.45Å; D141-R156 PolarHBondContact OD1-NH2 3.49Å; D141-R156 IonicContact OD2-NH2 3.8Å |
| 142 | R | 83.9 | Confident | 86.3 | Confident | 43 Ų | 43 | 40.1 Ų | 40.1 | 16% | 0.162 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.3 | -39.8 | 174.7 | -69.3 | -56 | 104.4 | 145.5 | 17.2 | 112.9 | T80 M138 S139 V140 A145 V146 R156 I230 | T80-R142 PolarHBondContact OG1-NH2 2.88Å; M138-R142 WeakPolarHBondContact O-CG 3.48Å; M138-R142 PolarHBondContact O-N 3.46Å; M138-R142 VanDerWaalsContact O-N 3.12Å; S139-R142 PolarHBondContact O-N 3.29Å; V140-R142 VanDerWaalsContact C-N 3.28Å; V140-R142 PolarHBondContact O-N 3.45Å; R142-A145 PolarHBondContact O-N 3.43Å; R142-V146 WeakPolarHBondContact O-CG2 3.33Å; R142-V146 PolarHBondContact O-N 2.93Å; R142-R156 VanDerWaalsContact NH2-NH2 3.15Å; R142-I230 HydrophobicContact CB-CD1 4.35Å |
| 143 | Y | 87.5 | Confident | 85.7 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 19% | 0.192 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.9 | -50.1 | 173.5 | 163.3 | -94.9 | 0 | 0 | 0 | 111 | S139 V140 A145 V146 V147 H148 L229 | S139-Y143 PolarHBondContact O-N 2.97Å; V140-Y143 WeakPolarHBondContact O-CB 3.41Å; V140-Y143 PolarHBondContact O-N 3.47Å; V140-Y143 VanDerWaalsContact O-N 3.17Å; Y143-A145 VanDerWaalsContact C-N 3.33Å; Y143-A145 PolarHBondContact O-N 3.43Å; Y143-V146 PolarHBondContact O-N 3.26Å; Y143-V147 HydrophobicContact CD2-CB 4.17Å; Y143-V147 HydrophobicContact CD2-CG2 3.61Å; Y143-V147 HydrophobicContact CE2-CB 3.87Å; Y143-V147 HydrophobicContact CE2-CG1 4Å; Y143-V147 HydrophobicContact CE2-CG2 3.61Å; Y143-V147 HydrophobicContact CG-CG2 4.43Å; Y143-V147 VanDerWaalsContact O-CB 3.32Å; Y143-V147 WeakPolarHBondContact O-CB 3.46Å; Y143-V147 WeakPolarHBondContact O-CG2 3.16Å; Y143-V147 PolarHBondContact O-N 2.89Å; Y143-H148 AromaticContact CE1-CD2 3.77Å; Y143-H148 AromaticContact CE1-NE2 3.96Å; Y143-H148 AromaticContact CZ-CD2 3.84Å; Y143-H148 AromaticContact CZ-NE2 3.66Å; Y143-H148 PolarHBondContact OH-NE2 2.93Å; Y143-L229 HydrophobicContact CD2-CB 3.96Å; Y143-L229 HydrophobicContact CD2-CD1 4.34Å; Y143-L229 HydrophobicContact CE2-CB 3.66Å; Y143-L229 HydrophobicContact CE2-CD1 3.66Å; Y143-L229 HydrophobicContact CE2-CG 4.31Å |
| 144 | L | 87.8 | Confident | 85.2 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 28% | 0.277 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 178.3 | -68.5 | 174.2 | 0 | 0 | 0 | 111.6 | V140 V146 H148 S152 | V140-L144 HydrophobicContact CG1-CD1 4.17Å; V140-L144 HydrophobicContact CG1-CG 4.4Å; V140-L144 WeakPolarHBondContact O-CG 3.38Å; V140-L144 PolarHBondContact O-N 3.46Å; L144-V146 PolarHBondContact O-N 3.33Å; L144-H148 CarbonylContact O-C 3.51Å; L144-H148 VanDerWaalsContact O-C 3.24Å; L144-H148 WeakPolarHBondContact O-CA 3.43Å; L144-H148 PolarHBondContact O-N 2.93Å; L144-S152 WeakPolarHBondContact O-CB 3.34Å |
| 145 | A | 83.9 | Confident | 84.8 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 17% | 0.165 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D141 R142 Y143 | D141-A145 WeakPolarHBondContact O-CB 3.33Å; D141-A145 PolarHBondContact O-N 2.88Å; R142-A145 PolarHBondContact O-N 3.43Å; Y143-A145 VanDerWaalsContact C-N 3.33Å; Y143-A145 PolarHBondContact O-N 3.43Å |
| 146 | V | 82.7 | Confident | 84.8 | Confident | 30 Ų | 30 | 63 Ų | 63 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -93.3 | -36.1 | -173.9 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | R142 Y143 L144 I230 V234 | R142-V146 WeakPolarHBondContact O-CG2 3.33Å; R142-V146 PolarHBondContact O-N 2.93Å; Y143-V146 PolarHBondContact O-N 3.26Å; L144-V146 PolarHBondContact O-N 3.33Å; V146-I230 HydrophobicContact CG1-CG2 4.28Å; V146-V234 HydrophobicContact CG1-CG2 3.84Å |
| 147 | V | 84.7 | Confident | 84.6 | Confident | 21 Ų | 21 | 64.5 Ų | 64.5 | 13% | 0.127 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -89 | -40.8 | -174.7 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | Y143 P149 I230 K233 | Y143-V147 HydrophobicContact CD2-CB 4.17Å; Y143-V147 HydrophobicContact CD2-CG2 3.61Å; Y143-V147 HydrophobicContact CE2-CB 3.87Å; Y143-V147 HydrophobicContact CE2-CG1 4Å; Y143-V147 HydrophobicContact CE2-CG2 3.61Å; Y143-V147 HydrophobicContact CG-CG2 4.43Å; Y143-V147 VanDerWaalsContact O-CB 3.32Å; Y143-V147 WeakPolarHBondContact O-CB 3.46Å; Y143-V147 WeakPolarHBondContact O-CG2 3.16Å; Y143-V147 PolarHBondContact O-N 2.89Å; V147-P149 VanDerWaalsContact C-CD 3.43Å; V147-P149 WeakPolarHBondContact O-CD 3.45Å; V147-I230 HydrophobicContact CG2-CG1 4.43Å; V147-K233 HydrophobicContact CB-CG 4.42Å; V147-K233 HydrophobicContact CG1-CG 4.26Å; V147-K233 HydrophobicContact CG2-CB 4.05Å; V147-K233 HydrophobicContact CG2-CG 4.14Å |
| 148 | H | 84.8 | Confident | 84.3 | Confident | 70 Ų | 70 | 63.9 Ų | 63.9 | 32% | 0.324 | 31% | 0.314 | S | S | . | . | trans | -125.4 | 53.6 | -172.8 | -60 | -72.9 | 0 | 0 | 0 | 113 | Y143 L144 T150 R151 S152 | Y143-H148 AromaticContact CE1-CD2 3.77Å; Y143-H148 AromaticContact CE1-NE2 3.96Å; Y143-H148 AromaticContact CZ-CD2 3.84Å; Y143-H148 AromaticContact CZ-NE2 3.66Å; Y143-H148 PolarHBondContact OH-NE2 2.93Å; L144-H148 CarbonylContact O-C 3.51Å; L144-H148 VanDerWaalsContact O-C 3.24Å; L144-H148 WeakPolarHBondContact O-CA 3.43Å; L144-H148 PolarHBondContact O-N 2.93Å; H148-T150 VanDerWaalsContact C-N 3.33Å; H148-T150 PolarHBondContact O-N 3.48Å; H148-T150 VanDerWaalsContact O-N 3.15Å; H148-R151 HydrophobicContact CB-CB 4.46Å; H148-R151 PolarHBondContact O-N 3.09Å; H148-S152 WeakPolarHBondContact O-CB 3.26Å; H148-S152 PolarHBondContact O-N 2.88Å | ||
| 149 | P | 80.8 | Confident | 84.5 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 40% | 0.403 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -54.6 | -42.3 | -166.1 | 20.5 | -33.5 | 0 | 0 | 0 | 114.1 | V147 S152 A153 | V147-P149 VanDerWaalsContact C-CD 3.43Å; V147-P149 WeakPolarHBondContact O-CD 3.45Å; P149-S152 WeakPolarHBondContact O-CB 3.42Å; P149-S152 PolarHBondContact O-N 3.02Å; P149-S152 PolarHBondContact O-OG 2.92Å; P149-A153 PolarHBondContact O-N 2.97Å |
| 150 | T | 81.1 | Confident | 84.7 | Confident | 126 Ų | 126 | 68.7 Ų | 68.7 | 77% | 0.773 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.9 | -50 | 179.5 | 48.5 | 0 | 0 | 0 | 0 | 112.8 | H148 S152 | H148-T150 VanDerWaalsContact C-N 3.33Å; H148-T150 PolarHBondContact O-N 3.48Å; H148-T150 VanDerWaalsContact O-N 3.15Å; T150-S152 VanDerWaalsContact C-N 3.3Å; T150-S152 PolarHBondContact O-N 3.3Å |
| 151 | R | 80.9 | Confident | 84.7 | Confident | 191 Ų | 191 | 66.2 Ų | 66.2 | 72% | 0.721 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.4 | -36.7 | 174.3 | -70.4 | -175.5 | 175.1 | -175.9 | -1.5 | 111.4 | H148 A153 R154 | H148-R151 HydrophobicContact CB-CB 4.46Å; H148-R151 PolarHBondContact O-N 3.09Å; R151-A153 PolarHBondContact O-N 3.38Å; R151-R154 PolarHBondContact O-N 2.92Å |
| 152 | S | 83.4 | Confident | 84.9 | Confident | 8 Ų | 8 | 73.5 Ų | 73.5 | 6% | 0.056 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.4 | -30.8 | -176.1 | 89.6 | 0 | 0 | 0 | 0 | 113.6 | L144 H148 P149 T150 R154 W155 R156 | L144-S152 WeakPolarHBondContact O-CB 3.34Å; H148-S152 WeakPolarHBondContact O-CB 3.26Å; H148-S152 PolarHBondContact O-N 2.88Å; P149-S152 WeakPolarHBondContact O-CB 3.42Å; P149-S152 PolarHBondContact O-N 3.02Å; P149-S152 PolarHBondContact O-OG 2.92Å; T150-S152 VanDerWaalsContact C-N 3.3Å; T150-S152 PolarHBondContact O-N 3.3Å; S152-R154 VanDerWaalsContact C-N 3.26Å; S152-R154 PolarHBondContact O-N 3.01Å; S152-W155 PolarHBondContact O-N 3.21Å; S152-W155 VanDerWaalsContact O-N 3.14Å; S152-R156 WeakPolarHBondContact O-CB 3.3Å; S152-R156 VanDerWaalsContact O-CG 3.23Å; S152-R156 WeakPolarHBondContact O-CG 3.22Å; S152-R156 PolarHBondContact O-N 3.42Å |
| 153 | A | 79.7 | Confident | 85.3 | Confident | 75 Ų | 75 | 77.2 Ų | 77.2 | 62% | 0.62 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.4 | -34.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P149 R151 | P149-A153 PolarHBondContact O-N 2.97Å; R151-A153 PolarHBondContact O-N 3.38Å |
| 154 | R | 82.1 | Confident | 85.6 | Confident | 213 Ų | 213 | 76.8 Ų | 76.8 | 80% | 0.804 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -73.6 | -32 | 178.7 | -171.8 | 174.6 | -179.8 | -179.5 | -0.2 | 113.1 | R151 S152 | R151-R154 PolarHBondContact O-N 2.92Å; S152-R154 VanDerWaalsContact C-N 3.26Å; S152-R154 PolarHBondContact O-N 3.01Å |
| 155 | W | 80.8 | Confident | 85.9 | Confident | 155 Ų | 155 | 74.3 Ų | 74.3 | 59% | 0.587 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -95.7 | -26 | -173.2 | -64.8 | 94.8 | 0 | 0 | 0 | 113.6 | S152 T157 V160 | S152-W155 PolarHBondContact O-N 3.21Å; S152-W155 VanDerWaalsContact O-N 3.14Å; W155-T157 PolarHBondContact O-N 2.85Å; W155-V160 HydrophobicContact CE3-CG1 4.37Å; W155-V160 WeakPolarHBondContact O-CB 3.31Å; W155-V160 VanDerWaalsContact O-CG1 3.29Å; W155-V160 WeakPolarHBondContact O-CG1 3.44Å |
| 156 | R | 85.8 | Confident | 86.4 | Confident | 82 Ų | 82 | 76 Ų | 76 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | trans | -88.4 | 52.8 | -172.3 | -63.6 | 178.4 | 67.8 | -120.3 | -6.9 | 112.3 | V79 D141 R142 S152 | V79-R156 HydrophobicContact CG2-CB 4.38Å; V79-R156 VanDerWaalsContact CG2-O 3.32Å; V79-R156 WeakPolarHBondContact CG2-O 3.48Å; D141-R156 IonicContact OD1-CZ 3.54Å; D141-R156 IonicContact OD1-NE 2.72Å; D141-R156 PolarHBondContact OD1-NE 2.93Å; D141-R156 IonicContact OD1-NH2 3.45Å; D141-R156 PolarHBondContact OD1-NH2 3.49Å; D141-R156 IonicContact OD2-NH2 3.8Å; R142-R156 VanDerWaalsContact NH2-NH2 3.15Å; S152-R156 WeakPolarHBondContact O-CB 3.3Å; S152-R156 VanDerWaalsContact O-CG 3.23Å; S152-R156 WeakPolarHBondContact O-CG 3.22Å; S152-R156 PolarHBondContact O-N 3.42Å | ||
| 157 | T | 86.8 | Confident | 87 | Confident | 53 Ų | 53 | 77.5 Ų | 77.5 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -113.3 | 154.4 | 179.7 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | W155 V160 A161 | W155-T157 PolarHBondContact O-N 2.85Å; T157-V160 PolarHBondContact O-N 2.81Å; T157-V160 WeakPolarHBondContact OG1-CG2 3.11Å; T157-A161 PolarHBondContact O-N 3.42Å |
| 158 | A | 85.1 | Confident | 87.5 | Confident | 18 Ų | 18 | 77.1 Ų | 77.1 | 15% | 0.149 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.7 | -35 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P77 A161 R162 | P77-A158 HydrophobicContact CB-CB 4.11Å; P77-A158 HydrophobicContact CG-CB 4.07Å; P77-A158 WeakPolarHBondContact O-CB 3.32Å; A158-A161 PolarHBondContact O-N 3.03Å; A158-R162 WeakPolarHBondContact O-CG 3.42Å; A158-R162 PolarHBondContact O-N 3.31Å |
| 159 | P | 89.1 | Confident | 88 | Confident | 76 Ų | 76 | 76.9 Ų | 76.9 | 49% | 0.494 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 172 | -24.3 | 35.8 | 0 | 0 | 0 | 112.6 | R162 M163 | P159-R162 PolarHBondContact O-N 2.91Å; P159-M163 PolarHBondContact O-N 2.93Å |
| 160 | V | 91.1 | Very high | 88.8 | Confident | 34 Ų | 34 | 78.5 Ų | 78.5 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 177.4 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | W155 T157 R162 M163 V164 | W155-V160 HydrophobicContact CE3-CG1 4.37Å; W155-V160 WeakPolarHBondContact O-CB 3.31Å; W155-V160 VanDerWaalsContact O-CG1 3.29Å; W155-V160 WeakPolarHBondContact O-CG1 3.44Å; T157-V160 PolarHBondContact O-N 2.81Å; T157-V160 WeakPolarHBondContact OG1-CG2 3.11Å; V160-R162 VanDerWaalsContact C-N 3.35Å; V160-R162 PolarHBondContact O-N 3.48Å; V160-M163 PolarHBondContact O-N 3.45Å; V160-V164 HydrophobicContact CG1-CG2 4.26Å; V160-V164 WeakPolarHBondContact O-CG2 3.08Å; V160-V164 PolarHBondContact O-N 3.4Å |
| 161 | A | 89.6 | Confident | 89.5 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.008 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V79 V82 Y83 T157 A158 V164 S165 | V79-A161 HydrophobicContact CB-CB 4.28Å; V79-A161 HydrophobicContact CG1-CB 4.01Å; V79-A161 HydrophobicContact CG2-CB 4.19Å; V82-A161 HydrophobicContact CB-CB 4.1Å; V82-A161 HydrophobicContact CG1-CB 4.11Å; V82-A161 HydrophobicContact CG2-CB 4.27Å; Y83-A161 HydrophobicContact CE1-CB 4.32Å; T157-A161 PolarHBondContact O-N 3.42Å; A158-A161 PolarHBondContact O-N 3.03Å; A161-V164 PolarHBondContact O-N 2.93Å; A161-S165 WeakPolarHBondContact O-CB 3.43Å; A161-S165 PolarHBondContact O-N 2.89Å; A161-S165 PolarHBondContact O-OG 3.1Å |
| 162 | R | 91 | Very high | 90.2 | Very high | 163 Ų | 163 | 65.3 Ų | 65.3 | 62% | 0.615 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.4 | -41.3 | 175.3 | -73.6 | -175 | -64.1 | 166.3 | 1.9 | 112.4 | V82 A158 P159 V160 S165 A166 | V82-R162 HydrophobicContact CG1-CG 4.06Å; V82-R162 HydrophobicContact CG2-CG 4.4Å; A158-R162 WeakPolarHBondContact O-CG 3.42Å; A158-R162 PolarHBondContact O-N 3.31Å; P159-R162 PolarHBondContact O-N 2.91Å; V160-R162 VanDerWaalsContact C-N 3.35Å; V160-R162 PolarHBondContact O-N 3.48Å; R162-S165 PolarHBondContact O-N 2.89Å; R162-A166 PolarHBondContact O-N 3.3Å |
| 163 | M | 93.7 | Very high | 90.8 | Very high | 121 Ų | 121 | 67 Ų | 67 | 60% | 0.596 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.3 | -44.6 | 175.6 | -175.8 | -168.6 | 77.5 | 0 | 0 | 111.7 | P159 V160 A166 A167 | P159-M163 PolarHBondContact O-N 2.93Å; V160-M163 PolarHBondContact O-N 3.45Å; M163-A166 PolarHBondContact O-N 3.06Å; M163-A167 PolarHBondContact O-N 3.43Å |
| 164 | V | 94 | Very high | 91.5 | Very high | 40 Ų | 40 | 67.5 Ų | 67.5 | 24% | 0.242 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66 | -41 | 176.8 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | V137 V160 A161 A167 V168 | V137-V164 HydrophobicContact CB-CG1 4.45Å; V137-V164 HydrophobicContact CG1-CG1 3.61Å; V137-V164 HydrophobicContact CG2-CG1 3.93Å; V160-V164 HydrophobicContact CG1-CG2 4.26Å; V160-V164 WeakPolarHBondContact O-CG2 3.08Å; V160-V164 PolarHBondContact O-N 3.4Å; A161-V164 PolarHBondContact O-N 2.93Å; V164-A167 PolarHBondContact O-N 3.35Å; V164-V168 WeakPolarHBondContact O-CG2 3.21Å; V164-V168 PolarHBondContact O-N 3.49Å |
| 165 | S | 92.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 172.3 | -75.2 | 0 | 0 | 0 | 0 | 112.5 | Y83 N86 A161 R162 A167 V168 W169 | Y83-S165 WeakPolarHBondContact CD1-OG 3.32Å; N86-S165 PolarHBondContact ND2-OG 2.95Å; N86-S165 WeakPolarHBondContact OD1-CB 3.44Å; A161-S165 WeakPolarHBondContact O-CB 3.43Å; A161-S165 PolarHBondContact O-N 2.89Å; A161-S165 PolarHBondContact O-OG 3.1Å; R162-S165 PolarHBondContact O-N 2.89Å; S165-A167 VanDerWaalsContact C-N 3.32Å; S165-A167 PolarHBondContact O-N 2.62Å; S165-V168 WeakPolarHBondContact O-CB 3.44Å; S165-V168 PolarHBondContact O-N 3.37Å; S165-V168 VanDerWaalsContact O-N 3.11Å; S165-W169 PolarHBondContact O-N 2.82Å |
| 166 | A | 94.4 | Very high | 92.9 | Very high | 55 Ų | 55 | 50.8 Ų | 50.8 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | R162 M163 V168 W169 V170 | R162-A166 PolarHBondContact O-N 3.3Å; M163-A166 PolarHBondContact O-N 3.06Å; A166-V168 VanDerWaalsContact C-N 3.33Å; A166-V168 PolarHBondContact O-N 2.91Å; A166-W169 PolarHBondContact O-N 3.06Å; A166-V170 WeakPolarHBondContact O-CG2 3.48Å; A166-V170 PolarHBondContact O-N 3.42Å |
| 167 | A | 95.7 | Very high | 93.3 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 51% | 0.512 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -35.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M163 V164 S165 A171 | M163-A167 PolarHBondContact O-N 3.43Å; V164-A167 PolarHBondContact O-N 3.35Å; S165-A167 VanDerWaalsContact C-N 3.32Å; S165-A167 PolarHBondContact O-N 2.62Å; A167-A171 VanDerWaalsContact O-CB 3.31Å; A167-A171 WeakPolarHBondContact O-CB 3.46Å; A167-A171 PolarHBondContact O-N 2.93Å |
| 168 | V | 95.4 | Very high | 93.6 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 172.7 | 165.5 | 0 | 0 | 0 | 0 | 111.5 | T130 F133 V137 V164 S165 A166 V170 A171 S172 | T130-V168 HydrophobicContact CG2-CG1 4.18Å; F133-V168 HydrophobicContact CB-CB 4.49Å; F133-V168 HydrophobicContact CB-CG1 3.62Å; F133-V168 HydrophobicContact CB-CG2 4.13Å; F133-V168 HydrophobicContact CD2-CG1 4.36Å; V137-V168 HydrophobicContact CG2-CG2 4.06Å; V164-V168 WeakPolarHBondContact O-CG2 3.21Å; V164-V168 PolarHBondContact O-N 3.49Å; S165-V168 WeakPolarHBondContact O-CB 3.44Å; S165-V168 PolarHBondContact O-N 3.37Å; S165-V168 VanDerWaalsContact O-N 3.11Å; A166-V168 VanDerWaalsContact C-N 3.33Å; A166-V168 PolarHBondContact O-N 2.91Å; V168-V170 VanDerWaalsContact C-N 3.33Å; V168-V170 PolarHBondContact O-N 3.44Å; V168-A171 PolarHBondContact O-N 3.19Å; V168-S172 PolarHBondContact O-N 2.9Å; V168-S172 PolarHBondContact O-OG 3.5Å; V168-S172 VanDerWaalsContact O-OG 3.06Å |
| 169 | W | 95.8 | Very high | 93.9 | Very high | 64 Ų | 64 | 50.4 Ų | 50.4 | 24% | 0.242 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 176.5 | -78.1 | 100.8 | 0 | 0 | 0 | 112.5 | N86 L89 A90 L93 I126 T130 S165 A166 S172 A173 | N86-W169 PolarHBondContact OD1-NE1 3.33Å; L89-W169 HydrophobicContact CB-CZ2 4.5Å; A90-W169 HydrophobicContact CB-CH2 3.76Å; A90-W169 HydrophobicContact CB-CZ2 4.13Å; L93-W169 HydrophobicContact CD1-CH2 4.04Å; L93-W169 HydrophobicContact CD1-CZ3 4.32Å; I126-W169 HydrophobicContact CG2-CE3 3.92Å; I126-W169 HydrophobicContact CG2-CZ3 3.65Å; T130-W169 HydrophobicContact CG2-CD2 4.19Å; T130-W169 HydrophobicContact CG2-CE3 4.46Å; T130-W169 HydrophobicContact CG2-CH2 4.46Å; T130-W169 HydrophobicContact CG2-CZ2 4.18Å; S165-W169 PolarHBondContact O-N 2.82Å; A166-W169 PolarHBondContact O-N 3.06Å; W169-S172 PolarHBondContact O-N 3.4Å; W169-A173 WeakPolarHBondContact O-CB 3.44Å; W169-A173 PolarHBondContact O-N 3.47Å |
| 170 | V | 96.4 | Very high | 94.2 | Very high | 96 Ų | 96 | 49.7 Ų | 49.7 | 58% | 0.582 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65 | -43.1 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | A166 V168 A173 V174 | A166-V170 WeakPolarHBondContact O-CG2 3.48Å; A166-V170 PolarHBondContact O-N 3.42Å; V168-V170 VanDerWaalsContact C-N 3.33Å; V168-V170 PolarHBondContact O-N 3.44Å; V170-A173 PolarHBondContact O-N 3.49Å; V170-V174 HydrophobicContact CG1-CG2 4.47Å; V170-V174 WeakPolarHBondContact O-CG2 3.28Å; V170-V174 PolarHBondContact O-N 3.43Å |
| 171 | A | 96 | Very high | 94.2 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F133 A167 V168 V174 V175 | F133-A171 HydrophobicContact CD2-CB 4.42Å; F133-A171 HydrophobicContact CE2-CB 4.21Å; A167-A171 VanDerWaalsContact O-CB 3.31Å; A167-A171 WeakPolarHBondContact O-CB 3.46Å; A167-A171 PolarHBondContact O-N 2.93Å; V168-A171 PolarHBondContact O-N 3.19Å; A171-V174 PolarHBondContact O-N 2.88Å; A171-V175 WeakPolarHBondContact O-CB 3.15Å; A171-V175 VanDerWaalsContact O-CG2 3.3Å; A171-V175 WeakPolarHBondContact O-CG2 3.48Å; A171-V175 PolarHBondContact O-N 3.11Å |
| 172 | S | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 173.8 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | T130 V168 W169 V174 V175 V176 | T130-S172 VanDerWaalsContact CA-OG 3.29Å; T130-S172 WeakPolarHBondContact CA-OG 3.41Å; T130-S172 PolarHBondContact N-OG 3.43Å; T130-S172 VanDerWaalsContact N-OG 3.08Å; T130-S172 VanDerWaalsContact OG1-CB 3.25Å; T130-S172 WeakPolarHBondContact OG1-CB 3.48Å; T130-S172 PolarHBondContact OG1-OG 3.43Å; V168-S172 PolarHBondContact O-N 2.9Å; V168-S172 PolarHBondContact O-OG 3.5Å; V168-S172 VanDerWaalsContact O-OG 3.06Å; W169-S172 PolarHBondContact O-N 3.4Å; S172-V174 VanDerWaalsContact C-N 3.32Å; S172-V174 PolarHBondContact O-N 3.08Å; S172-V175 PolarHBondContact O-N 3.24Å; S172-V176 WeakPolarHBondContact O-CB 3.12Å; S172-V176 WeakPolarHBondContact O-CG2 3.49Å; S172-V176 PolarHBondContact O-N 3.34Å |
| 173 | A | 95.1 | Very high | 94.3 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | W169 V170 V176 L177 | W169-A173 WeakPolarHBondContact O-CB 3.44Å; W169-A173 PolarHBondContact O-N 3.47Å; V170-A173 PolarHBondContact O-N 3.49Å; A173-V176 PolarHBondContact O-N 3.22Å; A173-L177 PolarHBondContact O-N 2.97Å |
| 174 | V | 96 | Very high | 94.1 | Very high | 85 Ų | 85 | 40.9 Ų | 40.9 | 52% | 0.515 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 175.1 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | V170 A171 S172 V176 L177 | V170-V174 HydrophobicContact CG1-CG2 4.47Å; V170-V174 WeakPolarHBondContact O-CG2 3.28Å; V170-V174 PolarHBondContact O-N 3.43Å; A171-V174 PolarHBondContact O-N 2.88Å; S172-V174 VanDerWaalsContact C-N 3.32Å; S172-V174 PolarHBondContact O-N 3.08Å; V174-V176 PolarHBondContact O-N 2.77Å; V174-L177 WeakPolarHBondContact O-CB 3.24Å; V174-L177 WeakPolarHBondContact O-CG 3.39Å; V174-L177 PolarHBondContact O-N 3.15Å |
| 175 | V | 94.9 | Very high | 93.7 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -27 | 178.1 | 170.3 | 0 | 0 | 0 | 0 | 112.2 | F129 A171 S172 P178 Y210 L214 | F129-V175 HydrophobicContact CD1-CG1 3.71Å; F129-V175 HydrophobicContact CD2-CB 4.49Å; F129-V175 HydrophobicContact CD2-CG1 3.75Å; F129-V175 HydrophobicContact CE1-CG1 3.54Å; F129-V175 HydrophobicContact CE2-CG1 3.62Å; F129-V175 HydrophobicContact CG-CB 4.46Å; F129-V175 HydrophobicContact CG-CG1 3.83Å; F129-V175 HydrophobicContact CZ-CG1 3.52Å; A171-V175 WeakPolarHBondContact O-CB 3.15Å; A171-V175 VanDerWaalsContact O-CG2 3.3Å; A171-V175 WeakPolarHBondContact O-CG2 3.48Å; A171-V175 PolarHBondContact O-N 3.11Å; S172-V175 PolarHBondContact O-N 3.24Å; V175-P178 WeakPolarHBondContact O-CD 3.47Å; V175-Y210 WeakPolarHBondContact CA-OH 3.25Å; V175-Y210 HydrophobicContact CG1-CE1 4.12Å; V175-Y210 PolarHBondContact O-OH 2.88Å; V175-L214 HydrophobicContact CG1-CD1 4.25Å; V175-L214 HydrophobicContact CG2-CD1 4.1Å |
| 176 | V | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -6.2 | -180 | 175.9 | 0 | 0 | 0 | 0 | 113.1 | A122 I126 F129 S172 A173 V174 P178 V179 V180 | A122-V176 HydrophobicContact CB-CG1 4.13Å; I126-V176 HydrophobicContact CG1-CB 4.22Å; I126-V176 HydrophobicContact CG1-CG1 4.15Å; I126-V176 HydrophobicContact CG1-CG2 4.13Å; F129-V176 HydrophobicContact CD2-CG2 3.61Å; F129-V176 HydrophobicContact CE2-CG2 4.12Å; S172-V176 WeakPolarHBondContact O-CB 3.12Å; S172-V176 WeakPolarHBondContact O-CG2 3.49Å; S172-V176 PolarHBondContact O-N 3.34Å; A173-V176 PolarHBondContact O-N 3.22Å; V174-V176 PolarHBondContact O-N 2.77Å; V176-P178 VanDerWaalsContact C-CD 3.42Å; V176-P178 VanDerWaalsContact C-N 3.34Å; V176-V179 HydrophobicContact CG1-CB 3.91Å; V176-V179 HydrophobicContact CG1-CG2 4.11Å; V176-V179 WeakPolarHBondContact O-CA 3.24Å; V176-V179 VanDerWaalsContact O-CB 3.25Å; V176-V179 WeakPolarHBondContact O-CB 3.29Å; V176-V179 PolarHBondContact O-N 3.02Å; V176-V180 PolarHBondContact O-N 3.09Å |
| 177 | L | 94.3 | Very high | 91.6 | Very high | 98 Ų | 98 | 52.1 Ų | 52.1 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -50.7 | -41.3 | 178.5 | -71.2 | 173.5 | 0 | 0 | 0 | 114.7 | A173 V174 V179 V180 V181 | A173-L177 PolarHBondContact O-N 2.97Å; V174-L177 WeakPolarHBondContact O-CB 3.24Å; V174-L177 WeakPolarHBondContact O-CG 3.39Å; V174-L177 PolarHBondContact O-N 3.15Å; L177-V179 PolarHBondContact O-N 3.26Å; L177-V180 PolarHBondContact O-N 2.99Å; L177-V180 VanDerWaalsContact O-N 3.16Å; L177-V181 WeakPolarHBondContact O-CG2 3.4Å; L177-V181 PolarHBondContact O-N 3.31Å |
| 178 | P | 93 | Very high | 90.2 | Very high | 37 Ų | 37 | 53.2 Ų | 53.2 | 24% | 0.24 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.8 | -33.7 | 174.2 | -24.1 | 35.4 | 0 | 0 | 0 | 113 | V175 V176 V181 F182 F207 | V175-P178 WeakPolarHBondContact O-CD 3.47Å; V176-P178 VanDerWaalsContact C-CD 3.42Å; V176-P178 VanDerWaalsContact C-N 3.34Å; P178-V181 PolarHBondContact O-N 2.82Å; P178-F182 HydrophobicContact CB-CD2 4.14Å; P178-F182 HydrophobicContact CB-CE2 4.35Å; P178-F182 WeakPolarHBondContact O-CB 3.35Å; P178-F182 WeakPolarHBondContact O-CD2 3.26Å; P178-F182 PolarHBondContact O-N 2.99Å; P178-F207 HydrophobicContact CB-CD2 4.49Å; P178-F207 HydrophobicContact CB-CE2 4.37Å |
| 179 | V | 93.2 | Very high | 88.7 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 176.9 | -171.2 | 0 | 0 | 0 | 0 | 110.9 | M121 V176 L177 V181 S183 M194 F207 | M121-V179 HydrophobicContact CB-CG1 3.7Å; V176-V179 HydrophobicContact CG1-CB 3.91Å; V176-V179 HydrophobicContact CG1-CG2 4.11Å; V176-V179 WeakPolarHBondContact O-CA 3.24Å; V176-V179 VanDerWaalsContact O-CB 3.25Å; V176-V179 WeakPolarHBondContact O-CB 3.29Å; V176-V179 PolarHBondContact O-N 3.02Å; L177-V179 PolarHBondContact O-N 3.26Å; V179-V181 VanDerWaalsContact C-N 3.3Å; V179-V181 PolarHBondContact O-N 3.29Å; V179-S183 WeakPolarHBondContact O-CB 3.41Å; V179-S183 PolarHBondContact O-N 3.49Å; V179-S183 PolarHBondContact O-OG 3.15Å; V179-M194 HydrophobicContact CB-CE 4.17Å; V179-M194 HydrophobicContact CG1-CE 4.08Å; V179-M194 HydrophobicContact CG2-CE 4.14Å; V179-F207 HydrophobicContact CG2-CE2 4.05Å; V179-F207 HydrophobicContact CG2-CZ 3.86Å |
| 180 | V | 93.7 | Very high | 88 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | 177.3 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | R118 A122 V176 L177 | R118-V180 WeakPolarHBondContact CD-O 3.17Å; R118-V180 PolarHBondContact NE-O 3.11Å; A122-V180 HydrophobicContact CB-CG2 3.81Å; V176-V180 PolarHBondContact O-N 3.09Å; L177-V180 PolarHBondContact O-N 2.99Å; L177-V180 VanDerWaalsContact O-N 3.16Å |
| 181 | V | 92.7 | Very high | 87.6 | Confident | 86 Ų | 86 | 56 Ų | 56 | 52% | 0.521 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -76 | -51 | -178.4 | 172.2 | 0 | 0 | 0 | 0 | 112 | R118 L177 P178 V179 | R118-V181 PolarHBondContact NH2-O 2.95Å; L177-V181 WeakPolarHBondContact O-CG2 3.4Å; L177-V181 PolarHBondContact O-N 3.31Å; P178-V181 PolarHBondContact O-N 2.82Å; V179-V181 VanDerWaalsContact C-N 3.3Å; V179-V181 PolarHBondContact O-N 3.29Å |
| 182 | F | 91.6 | Very high | 87.3 | Confident | 47 Ų | 47 | 54.5 Ų | 54.5 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -92 | -10.6 | -170.2 | -62.9 | -62.8 | 0 | 0 | 0 | 114.7 | P178 M194 Q195 W196 P197 W203 | P178-F182 HydrophobicContact CB-CD2 4.14Å; P178-F182 HydrophobicContact CB-CE2 4.35Å; P178-F182 WeakPolarHBondContact O-CB 3.35Å; P178-F182 WeakPolarHBondContact O-CD2 3.26Å; P178-F182 PolarHBondContact O-N 2.99Å; F182-M194 HydrophobicContact CB-CE 4.48Å; F182-Q195 WeakPolarHBondContact CD1-O 3.32Å; F182-Q195 PolarHBondContact O-N 3.44Å; F182-W196 HydrophobicContact CB-CE3 4.48Å; F182-W196 HydrophobicContact CB-CZ3 4.21Å; F182-W196 HydrophobicContact CD2-CE3 4.28Å; F182-W196 AromaticContact CD2-CZ3 3.71Å; F182-W196 HydrophobicContact CD2-CZ3 3.71Å; F182-W196 HydrophobicContact CE2-CZ3 4.35Å; F182-W196 HydrophobicContact CG-CE3 4.31Å; F182-W196 HydrophobicContact CG-CZ3 4.07Å; F182-P197 HydrophobicContact CD1-CG 4.31Å; F182-P197 HydrophobicContact CE1-CG 3.64Å; F182-P197 HydrophobicContact CZ-CG 4.3Å; F182-W203 HydrophobicContact CE2-CZ3 4.2Å; F182-W203 HydrophobicContact CZ-CE3 4.43Å; F182-W203 HydrophobicContact CZ-CH2 4.43Å; F182-W203 HydrophobicContact CZ-CZ3 4Å |
| 183 | S | 90.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 149.1 | 172.9 | 62.8 | 0 | 0 | 0 | 0 | 112.8 | R118 V179 H193 | R118-S183 WeakPolarHBondContact CA-OG 3.35Å; R118-S183 WeakPolarHBondContact CG-O 3.47Å; R118-S183 WeakPolarHBondContact CG-OG 3.29Å; R118-S183 PolarHBondContact NE-O 2.97Å; R118-S183 PolarHBondContact NH2-O 3.44Å; V179-S183 WeakPolarHBondContact O-CB 3.41Å; V179-S183 PolarHBondContact O-N 3.49Å; V179-S183 PolarHBondContact O-OG 3.15Å; S183-H193 WeakPolarHBondContact CA-O 3.36Å |
| 184 | G | 88.9 | Confident | 86.6 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.8 | -172.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S114 C117 H193 Q195 | S114-G184 VanDerWaalsContact OG-CA 3.28Å; S114-G184 WeakPolarHBondContact OG-CA 3.29Å; C117-G184 VanDerWaalsContact SG-C 3.58Å; C117-G184 VanDerWaalsContact SG-CA 3.52Å; G184-H193 PolarHBondContact N-O 3.1Å; G184-H193 PolarHBondContact O-N 3.03Å; G184-Q195 PolarHBondContact O-NE2 3.38Å |
| 185 | V | 86 | Confident | 86.3 | Confident | 40 Ų | 40 | 56.6 Ų | 56.6 | 24% | 0.242 | 31% | 0.312 | C | S | . | . | trans | -120.2 | 107.9 | 176.2 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | W110 S114 C117 M189 C192 | W110-V185 HydrophobicContact CB-CG2 4.21Å; W110-V185 HydrophobicContact CG-CG2 4Å; S114-V185 PolarHBondContact OG-N 3.46Å; C117-V185 HydrophobicContact CB-CG2 4.09Å; V185-M189 VanDerWaalsContact CG1-O 3.3Å; V185-M189 WeakPolarHBondContact CG1-O 3.26Å; V185-C192 HydrophobicContact CG2-CB 4.24Å | ||
| 186 | P | 75.6 | Confident | 86 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 21% | 0.208 | 32% | 0.315 | C | S | . | . | trans | -64.8 | 150.8 | 178.1 | -18.4 | 29.4 | 0 | 0 | 0 | 112.5 | G188 M189 Q195 | P186-G188 PolarHBondContact O-N 3.47Å; P186-G188 VanDerWaalsContact O-N 3.14Å; P186-M189 HydrophobicContact CB-CB 4.01Å; P186-M189 HydrophobicContact CB-CG 4.32Å; P186-M189 HydrophobicContact CB-SD 4.32Å; P186-M189 HydrophobicContact CG-CB 3.96Å; P186-M189 HydrophobicContact CG-CG 4.35Å; P186-M189 HydrophobicContact CG-SD 3.89Å; P186-M189 PolarHBondContact O-N 3.45Å; P186-M189 VanDerWaalsContact O-N 3.12Å; P186-M189 VanDerWaalsContact O-O 3.13Å; P186-Q195 HydrophobicContact CG-CG 4.06Å | ||
| 187 | R | 67.6 | Low | 85.7 | Confident | 262 Ų | 262 | 60 Ų | 60 | 99% | 0.989 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 115.9 | 170 | -68.4 | -179.3 | 178.8 | 170.6 | -0.7 | 109 | ||
| 188 | G | 65.6 | Low | 85.5 | Confident | 85 Ų | 85 | 63 Ų | 63 | 88% | 0.876 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.9 | -5.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P186 | P186-G188 PolarHBondContact O-N 3.47Å; P186-G188 VanDerWaalsContact O-N 3.14Å |
| 189 | M | 64.4 | Low | 85.5 | Confident | 107 Ų | 107 | 65.4 Ų | 65.4 | 53% | 0.527 | 36% | 0.357 | S | S | . | . | trans | -111 | 127.2 | 168.2 | -73.2 | -177.2 | 171.3 | 0 | 0 | 110.1 | V185 P186 T191 | V185-M189 VanDerWaalsContact CG1-O 3.3Å; V185-M189 WeakPolarHBondContact CG1-O 3.26Å; P186-M189 HydrophobicContact CB-CB 4.01Å; P186-M189 HydrophobicContact CB-CG 4.32Å; P186-M189 HydrophobicContact CB-SD 4.32Å; P186-M189 HydrophobicContact CG-CB 3.96Å; P186-M189 HydrophobicContact CG-CG 4.35Å; P186-M189 HydrophobicContact CG-SD 3.89Å; P186-M189 PolarHBondContact O-N 3.45Å; P186-M189 VanDerWaalsContact O-N 3.12Å; P186-M189 VanDerWaalsContact O-O 3.13Å; M189-T191 VanDerWaalsContact C-N 3.35Å; M189-T191 PolarHBondContact O-N 3.24Å | ||
| 190 | S | 80.8 | Confident | 85.2 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 53% | 0.531 | 37% | 0.366 | S | S | . | . | trans | -79.4 | -11.6 | -167.7 | -49.8 | 0 | 0 | 0 | 0 | 114.6 | Y109 W110 | Y109-S190 CarbonylContact C-O 3.58Å; Y109-S190 WeakPolarHBondContact CA-O 3.39Å; Y109-S190 WeakPolarHBondContact CB-O 3.4Å; W110-S190 PolarHBondContact N-O 3.2Å | ||
| 191 | T | 87.3 | Confident | 85 | Confident | 49 Ų | 49 | 67.4 Ų | 67.4 | 30% | 0.301 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -117 | 146.8 | -168.8 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | Q104 S108 M189 H193 | Q104-T191 HydrophobicContact CG-CG2 4.45Å; S108-T191 WeakPolarHBondContact O-CG2 3.47Å; M189-T191 VanDerWaalsContact C-N 3.35Å; M189-T191 PolarHBondContact O-N 3.24Å; T191-H193 PolarHBondContact O-ND1 2.78Å |
| 192 | C | 90 | Very high | 84.9 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 5% | 0.054 | 38% | 0.379 | C | S | . | . | trans | -70.9 | 122.2 | 165.7 | 176.7 | 0 | 0 | 0 | 0 | 110 | Q104 W110 C117 V185 | Q104-C192 PolarHBondContact NE2-O 3.03Å; Q104-C192 VanDerWaalsContact OE1-CB 3.32Å; W110-C192 HydrophobicContact CB-CB 4.23Å; W110-C192 HydrophobicContact CD2-CB 3.57Å; W110-C192 HydrophobicContact CE3-CB 3.58Å; W110-C192 HydrophobicContact CG-CB 3.86Å; W110-C192 HydrophobicContact CZ3-CB 4.2Å; C117-C192 WeakPolarHBondContact CA-SG 3.29Å; C117-C192 HydrophobicContact CB-CB 3.72Å; C117-C192 WeakPolarHBondContact CB-SG 3.25Å; C117-C192 VanDerWaalsContact SG-CA 3.56Å; C117-C192 WeakPolarHBondContact SG-CB 3.33Å; C117-C192 CovalentContact SG-SG 2.03Å; C117-C192 PolarHBondContact SG-SG 3.42Å; V185-C192 HydrophobicContact CG2-CB 4.24Å | ||
| 193 | H | 87.8 | Confident | 84.9 | Confident | 59 Ų | 59 | 69.6 Ų | 69.6 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | -179.6 | 178 | 64.1 | -82.3 | 0 | 0 | 0 | 111 | S183 G184 T191 | S183-H193 WeakPolarHBondContact CA-O 3.36Å; G184-H193 PolarHBondContact N-O 3.1Å; G184-H193 PolarHBondContact O-N 3.03Å; T191-H193 PolarHBondContact O-ND1 2.78Å |
| 194 | M | 88.9 | Confident | 84.8 | Confident | 36 Ų | 36 | 75 Ų | 75 | 18% | 0.177 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 125.4 | 177.6 | -52.8 | -158.5 | 75.4 | 0 | 0 | 111.2 | M121 V179 F182 W196 F207 | M121-M194 HydrophobicContact CE-CG 4.26Å; V179-M194 HydrophobicContact CB-CE 4.17Å; V179-M194 HydrophobicContact CG1-CE 4.08Å; V179-M194 HydrophobicContact CG2-CE 4.14Å; F182-M194 HydrophobicContact CB-CE 4.48Å; M194-W196 HydrophobicContact CB-CZ2 3.81Å; M194-W196 HydrophobicContact CE-CH2 3.64Å; M194-W196 HydrophobicContact CE-CZ2 3.86Å; M194-W196 HydrophobicContact CG-CZ2 4.35Å; M194-W196 HydrophobicContact SD-CH2 4.04Å; M194-W196 HydrophobicContact SD-CZ2 3.65Å; M194-F207 HydrophobicContact CE-CE1 4.42Å; M194-F207 HydrophobicContact CE-CE2 4.49Å; M194-F207 HydrophobicContact CE-CZ 4.14Å; M194-F207 HydrophobicContact SD-CE1 3.86Å; M194-F207 HydrophobicContact SD-CZ 4.09Å |
| 195 | Q | 88.9 | Confident | 84.9 | Confident | 78 Ų | 78 | 76 Ų | 76 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | trans | -99.8 | 99.1 | -177.6 | -63.9 | 164.3 | 47 | 0 | 0 | 108.9 | F182 G184 P186 | F182-Q195 WeakPolarHBondContact CD1-O 3.32Å; F182-Q195 PolarHBondContact O-N 3.44Å; G184-Q195 PolarHBondContact O-NE2 3.38Å; P186-Q195 HydrophobicContact CG-CG 4.06Å | ||
| 196 | W | 89.8 | Confident | 85.2 | Confident | 40 Ų | 40 | 75.9 Ų | 75.9 | 15% | 0.152 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 134.1 | -179.8 | -61.3 | 117.1 | 0 | 0 | 0 | 111.1 | F182 M194 A200 W203 R204 F207 | F182-W196 HydrophobicContact CB-CE3 4.48Å; F182-W196 HydrophobicContact CB-CZ3 4.21Å; F182-W196 HydrophobicContact CD2-CE3 4.28Å; F182-W196 AromaticContact CD2-CZ3 3.71Å; F182-W196 HydrophobicContact CD2-CZ3 3.71Å; F182-W196 HydrophobicContact CE2-CZ3 4.35Å; F182-W196 HydrophobicContact CG-CE3 4.31Å; F182-W196 HydrophobicContact CG-CZ3 4.07Å; M194-W196 HydrophobicContact CB-CZ2 3.81Å; M194-W196 HydrophobicContact CE-CH2 3.64Å; M194-W196 HydrophobicContact CE-CZ2 3.86Å; M194-W196 HydrophobicContact CG-CZ2 4.35Å; M194-W196 HydrophobicContact SD-CH2 4.04Å; M194-W196 HydrophobicContact SD-CZ2 3.65Å; W196-A200 HydrophobicContact CB-CB 4.15Å; W196-W203 HydrophobicContact CB-CB 3.95Å; W196-W203 HydrophobicContact CD2-CB 4.24Å; W196-W203 HydrophobicContact CE3-CB 3.97Å; W196-W203 HydrophobicContact CG-CB 4.26Å; W196-R204 HydrophobicContact CG-CB 4.38Å; W196-F207 HydrophobicContact CH2-CB 3.58Å; W196-F207 AromaticContact CH2-CD1 3.68Å; W196-F207 HydrophobicContact CH2-CD1 3.68Å; W196-F207 AromaticContact CH2-CD2 3.62Å; W196-F207 HydrophobicContact CH2-CD2 3.62Å; W196-F207 HydrophobicContact CH2-CE1 4.24Å; W196-F207 HydrophobicContact CH2-CE2 4.19Å; W196-F207 AromaticContact CH2-CG 3.32Å; W196-F207 HydrophobicContact CH2-CG 3.32Å; W196-F207 HydrophobicContact CH2-CZ 4.47Å; W196-F207 HydrophobicContact CZ2-CB 3.91Å; W196-F207 AromaticContact CZ2-CD1 3.6Å; W196-F207 HydrophobicContact CZ2-CD1 3.6Å; W196-F207 HydrophobicContact CZ2-CD2 4.39Å; W196-F207 HydrophobicContact CZ2-CE1 4.2Å; W196-F207 AromaticContact CZ2-CG 3.71Å; W196-F207 HydrophobicContact CZ2-CG 3.71Å; W196-F207 HydrophobicContact CZ3-CB 4.15Å; W196-F207 HydrophobicContact CZ3-CD2 4.41Å; W196-F207 HydrophobicContact CZ3-CG 4.26Å |
| 197 | P | 89.8 | Confident | 86 | Confident | 49 Ų | 49 | 76.2 Ų | 76.2 | 32% | 0.318 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 158.3 | 171 | -17.9 | 30.7 | 0 | 0 | 0 | 111.7 | F182 P199 A200 W203 | F182-P197 HydrophobicContact CD1-CG 4.31Å; F182-P197 HydrophobicContact CE1-CG 3.64Å; F182-P197 HydrophobicContact CZ-CG 4.3Å; P197-P199 CarbonylContact O-C 3.24Å; P197-P199 VanDerWaalsContact O-C 3.32Å; P197-A200 VanDerWaalsContact O-CA 3.24Å; P197-A200 WeakPolarHBondContact O-CA 3.5Å; P197-A200 PolarHBondContact O-N 3.05Å; P197-W203 HydrophobicContact CG-CD2 4.3Å; P197-W203 HydrophobicContact CG-CZ2 4.41Å |
| 198 | E | 90.2 | Very high | 87.2 | Confident | 162 Ų | 162 | 64.4 Ų | 64.4 | 76% | 0.757 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -69.5 | 141.5 | 171.3 | -68.5 | -61 | 171.1 | 0 | 0 | 112 | A200 | E198-A200 PolarHBondContact OE2-N 3.16Š|
| 199 | P | 91.7 | Very high | 88.4 | Confident | 86 Ų | 86 | 65.4 Ų | 65.4 | 56% | 0.558 | 37% | 0.365 | S | S | * | . | S | Bend | cis | -75.2 | 115.2 | -5.3 | 28.4 | -31.7 | 0 | 0 | 0 | 112.4 | P197 A201 A202 W203 | P197-P199 CarbonylContact O-C 3.24Å; P197-P199 VanDerWaalsContact O-C 3.32Å; P199-A201 VanDerWaalsContact C-N 3.29Å; P199-A201 PolarHBondContact O-N 3.02Å; P199-A202 HydrophobicContact CG-CB 4.02Å; P199-A202 PolarHBondContact O-N 3.48Å; P199-W203 PolarHBondContact O-N 3.1Å |
| 200 | A | 88.3 | Confident | 89.8 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.2 | -33.2 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | W196 P197 E198 A202 R204 | W196-A200 HydrophobicContact CB-CB 4.15Å; P197-A200 VanDerWaalsContact O-CA 3.24Å; P197-A200 WeakPolarHBondContact O-CA 3.5Å; P197-A200 PolarHBondContact O-N 3.05Å; E198-A200 PolarHBondContact OE2-N 3.16Å; A200-A202 PolarHBondContact O-N 2.9Å; A200-R204 WeakPolarHBondContact O-CB 3.36Å; A200-R204 PolarHBondContact O-N 2.86Å |
| 201 | A | 88 | Confident | 90.4 | Very high | 81 Ų | 81 | 61 Ų | 61 | 67% | 0.669 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P199 R204 A205 | P199-A201 VanDerWaalsContact C-N 3.29Å; P199-A201 PolarHBondContact O-N 3.02Å; A201-R204 PolarHBondContact O-N 3.04Å; A201-A205 VanDerWaalsContact O-CB 3.26Å; A201-A205 WeakPolarHBondContact O-CB 3.35Å; A201-A205 PolarHBondContact O-N 3.18Å |
| 202 | A | 90.5 | Very high | 90.6 | Very high | 59 Ų | 59 | 58.8 Ų | 58.8 | 49% | 0.488 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -71.2 | -40.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | P199 A200 A205 G206 | P199-A202 HydrophobicContact CG-CB 4.02Å; P199-A202 PolarHBondContact O-N 3.48Å; A200-A202 PolarHBondContact O-N 2.9Å; A202-A205 PolarHBondContact O-N 3.5Å; A202-G206 PolarHBondContact O-N 3.38Å |
| 203 | W | 91.9 | Very high | 90.8 | Very high | 119 Ų | 119 | 60.5 Ų | 60.5 | 45% | 0.451 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 173.6 | -80.1 | 97.5 | 0 | 0 | 0 | 112 | F182 W196 P197 P199 G206 F207 | F182-W203 HydrophobicContact CE2-CZ3 4.2Å; F182-W203 HydrophobicContact CZ-CE3 4.43Å; F182-W203 HydrophobicContact CZ-CH2 4.43Å; F182-W203 HydrophobicContact CZ-CZ3 4Å; W196-W203 HydrophobicContact CB-CB 3.95Å; W196-W203 HydrophobicContact CD2-CB 4.24Å; W196-W203 HydrophobicContact CE3-CB 3.97Å; W196-W203 HydrophobicContact CG-CB 4.26Å; P197-W203 HydrophobicContact CG-CD2 4.3Å; P197-W203 HydrophobicContact CG-CZ2 4.41Å; P199-W203 PolarHBondContact O-N 3.1Å; W203-G206 PolarHBondContact O-N 2.91Å; W203-F207 WeakPolarHBondContact O-CB 3.44Å; W203-F207 PolarHBondContact O-N 3.5Å |
| 204 | R | 89.9 | Confident | 91.1 | Very high | 114 Ų | 114 | 61 Ų | 61 | 43% | 0.43 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.4 | -47 | 175.7 | -171.8 | -178.3 | -175.2 | 116.6 | 4 | 112 | W196 A200 A201 F207 I208 | W196-R204 HydrophobicContact CG-CB 4.38Å; A200-R204 WeakPolarHBondContact O-CB 3.36Å; A200-R204 PolarHBondContact O-N 2.86Å; A201-R204 PolarHBondContact O-N 3.04Å; R204-F207 PolarHBondContact O-N 2.99Å; R204-I208 HydrophobicContact CG-CD1 3.98Å; R204-I208 WeakPolarHBondContact O-CG1 3.27Å; R204-I208 PolarHBondContact O-N 3.42Å |
| 205 | A | 90.6 | Very high | 91.2 | Very high | 21 Ų | 21 | 59.3 Ų | 59.3 | 17% | 0.174 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A201 A202 F207 I208 I209 V281 | A201-A205 VanDerWaalsContact O-CB 3.26Å; A201-A205 WeakPolarHBondContact O-CB 3.35Å; A201-A205 PolarHBondContact O-N 3.18Å; A202-A205 PolarHBondContact O-N 3.5Å; A205-F207 PolarHBondContact O-N 2.88Å; A205-I208 PolarHBondContact O-N 2.99Å; A205-I209 WeakPolarHBondContact O-CB 3.39Å; A205-I209 VanDerWaalsContact O-CG1 3.3Å; A205-I209 WeakPolarHBondContact O-CG1 3.48Å; A205-I209 PolarHBondContact O-N 3.36Å; A205-V281 HydrophobicContact CB-CG1 3.54Å; A205-V281 HydrophobicContact CB-CG2 4.44Å |
| 206 | G | 92.6 | Very high | 91.4 | Very high | 39 Ų | 39 | 55.7 Ų | 55.7 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.2 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A202 W203 I209 Y210 | A202-G206 PolarHBondContact O-N 3.38Å; W203-G206 PolarHBondContact O-N 2.91Å; G206-I209 PolarHBondContact O-N 2.94Å; G206-Y210 WeakPolarHBondContact O-CB 3.4Å; G206-Y210 PolarHBondContact O-N 3.38Å |
| 207 | F | 92.2 | Very high | 91.5 | Very high | 39 Ų | 39 | 58.5 Ų | 58.5 | 17% | 0.171 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 176.2 | -179.5 | -102.7 | 0 | 0 | 0 | 112.8 | P178 V179 M194 W196 W203 R204 A205 Y210 T211 | P178-F207 HydrophobicContact CB-CD2 4.49Å; P178-F207 HydrophobicContact CB-CE2 4.37Å; V179-F207 HydrophobicContact CG2-CE2 4.05Å; V179-F207 HydrophobicContact CG2-CZ 3.86Å; M194-F207 HydrophobicContact CE-CE1 4.42Å; M194-F207 HydrophobicContact CE-CE2 4.49Å; M194-F207 HydrophobicContact CE-CZ 4.14Å; M194-F207 HydrophobicContact SD-CE1 3.86Å; M194-F207 HydrophobicContact SD-CZ 4.09Å; W196-F207 HydrophobicContact CH2-CB 3.58Å; W196-F207 AromaticContact CH2-CD1 3.68Å; W196-F207 HydrophobicContact CH2-CD1 3.68Å; W196-F207 AromaticContact CH2-CD2 3.62Å; W196-F207 HydrophobicContact CH2-CD2 3.62Å; W196-F207 HydrophobicContact CH2-CE1 4.24Å; W196-F207 HydrophobicContact CH2-CE2 4.19Å; W196-F207 AromaticContact CH2-CG 3.32Å; W196-F207 HydrophobicContact CH2-CG 3.32Å; W196-F207 HydrophobicContact CH2-CZ 4.47Å; W196-F207 HydrophobicContact CZ2-CB 3.91Å; W196-F207 AromaticContact CZ2-CD1 3.6Å; W196-F207 HydrophobicContact CZ2-CD1 3.6Å; W196-F207 HydrophobicContact CZ2-CD2 4.39Å; W196-F207 HydrophobicContact CZ2-CE1 4.2Å; W196-F207 AromaticContact CZ2-CG 3.71Å; W196-F207 HydrophobicContact CZ2-CG 3.71Å; W196-F207 HydrophobicContact CZ3-CB 4.15Å; W196-F207 HydrophobicContact CZ3-CD2 4.41Å; W196-F207 HydrophobicContact CZ3-CG 4.26Å; W203-F207 WeakPolarHBondContact O-CB 3.44Å; W203-F207 PolarHBondContact O-N 3.5Å; R204-F207 PolarHBondContact O-N 2.99Å; A205-F207 PolarHBondContact O-N 2.88Å; F207-Y210 HydrophobicContact CD2-CD1 4.45Å; F207-Y210 PolarHBondContact O-N 3.41Å; F207-T211 HydrophobicContact CD1-CG2 4.3Å; F207-T211 HydrophobicContact CD2-CG2 4.06Å; F207-T211 HydrophobicContact CE1-CG2 3.89Å; F207-T211 HydrophobicContact CE2-CG2 3.63Å; F207-T211 HydrophobicContact CG-CG2 4.38Å; F207-T211 HydrophobicContact CZ-CG2 3.54Å; F207-T211 WeakPolarHBondContact O-CB 3.01Å; F207-T211 WeakPolarHBondContact O-CG2 3.37Å; F207-T211 PolarHBondContact O-N 2.92Å; F207-T211 PolarHBondContact O-OG1 2.93Å |
| 208 | I | 91.6 | Very high | 91.7 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 7% | 0.072 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 176.6 | -72.9 | 167 | 0 | 0 | 0 | 110.9 | R204 A205 T211 A212 N277 I278 V281 | R204-I208 HydrophobicContact CG-CD1 3.98Å; R204-I208 WeakPolarHBondContact O-CG1 3.27Å; R204-I208 PolarHBondContact O-N 3.42Å; A205-I208 PolarHBondContact O-N 2.99Å; I208-T211 PolarHBondContact O-OG1 3.41Å; I208-A212 WeakPolarHBondContact O-CB 3.28Å; I208-A212 PolarHBondContact O-N 2.97Å; I208-N277 HydrophobicContact CD1-CB 4.3Å; I208-N277 HydrophobicContact CG2-CB 3.98Å; I208-I278 HydrophobicContact CG2-CG1 3.93Å; I208-V281 HydrophobicContact CD1-CG2 3.59Å; I208-V281 HydrophobicContact CG2-CG2 4.48Å |
| 209 | I | 92 | Very high | 91.8 | Very high | 105 Ų | 105 | 50.5 Ų | 50.5 | 54% | 0.538 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 178.1 | -66.9 | 164.9 | 0 | 0 | 0 | 110.9 | A205 G206 A212 A213 | A205-I209 WeakPolarHBondContact O-CB 3.39Å; A205-I209 VanDerWaalsContact O-CG1 3.3Å; A205-I209 WeakPolarHBondContact O-CG1 3.48Å; A205-I209 PolarHBondContact O-N 3.36Å; G206-I209 PolarHBondContact O-N 2.94Å; I209-A212 PolarHBondContact O-N 3.48Å; I209-A213 VanDerWaalsContact O-CB 3.27Å; I209-A213 WeakPolarHBondContact O-CB 3.38Å; I209-A213 PolarHBondContact O-N 2.93Å |
| 210 | Y | 93.7 | Very high | 91.8 | Very high | 81 Ų | 81 | 48 Ų | 48 | 32% | 0.318 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59 | -51.7 | 176.2 | 166.8 | -100.7 | 0 | 0 | 0 | 112.5 | V175 G206 F207 A213 L214 | V175-Y210 WeakPolarHBondContact CA-OH 3.25Å; V175-Y210 HydrophobicContact CG1-CE1 4.12Å; V175-Y210 PolarHBondContact O-OH 2.88Å; G206-Y210 WeakPolarHBondContact O-CB 3.4Å; G206-Y210 PolarHBondContact O-N 3.38Å; F207-Y210 HydrophobicContact CD2-CD1 4.45Å; F207-Y210 PolarHBondContact O-N 3.41Å; Y210-A213 PolarHBondContact O-N 3.47Å; Y210-L214 HydrophobicContact CD2-CD1 3.95Å; Y210-L214 HydrophobicContact CE2-CD1 3.4Å; Y210-L214 HydrophobicContact CE2-CG 4.4Å; Y210-L214 PolarHBondContact O-N 3.07Å |
| 211 | T | 92.8 | Very high | 92.1 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 179.7 | 53 | 0 | 0 | 0 | 0 | 111.8 | F129 F207 I208 G215 Y274 | F129-T211 HydrophobicContact CZ-CG2 4.01Å; F207-T211 HydrophobicContact CD1-CG2 4.3Å; F207-T211 HydrophobicContact CD2-CG2 4.06Å; F207-T211 HydrophobicContact CE1-CG2 3.89Å; F207-T211 HydrophobicContact CE2-CG2 3.63Å; F207-T211 HydrophobicContact CG-CG2 4.38Å; F207-T211 HydrophobicContact CZ-CG2 3.54Å; F207-T211 WeakPolarHBondContact O-CB 3.01Å; F207-T211 WeakPolarHBondContact O-CG2 3.37Å; F207-T211 PolarHBondContact O-N 2.92Å; F207-T211 PolarHBondContact O-OG1 2.93Å; I208-T211 PolarHBondContact O-OG1 3.41Å; T211-G215 WeakPolarHBondContact O-CA 3.38Å; T211-G215 PolarHBondContact O-N 3.11Å; T211-Y274 PolarHBondContact O-OH 2.81Å |
| 212 | A | 92.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.017 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.1 | -41 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | I208 I209 F216 F217 Y274 I278 | I208-A212 WeakPolarHBondContact O-CB 3.28Å; I208-A212 PolarHBondContact O-N 2.97Å; I209-A212 PolarHBondContact O-N 3.48Å; A212-F216 WeakPolarHBondContact O-CA 3.46Å; A212-F216 WeakPolarHBondContact O-CB 3.4Å; A212-F216 PolarHBondContact O-N 3.44Å; A212-F216 VanDerWaalsContact O-N 3.09Å; A212-F217 HydrophobicContact CB-CD2 4.11Å; A212-F217 HydrophobicContact CB-CE2 4.08Å; A212-F217 WeakPolarHBondContact O-CD2 3.19Å; A212-F217 PolarHBondContact O-N 3.22Å; A212-Y274 VanDerWaalsContact CA-CE1 3.46Å; A212-Y274 HydrophobicContact CB-CD1 3.57Å; A212-Y274 HydrophobicContact CB-CE1 3.99Å; A212-Y274 HydrophobicContact CB-CG 4.22Å; A212-I278 HydrophobicContact CB-CD1 3.97Å |
| 213 | A | 94.1 | Very high | 92.4 | Very high | 44 Ų | 44 | 48.1 Ų | 48.1 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -65.9 | -49.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | I209 Y210 G218 | I209-A213 VanDerWaalsContact O-CB 3.27Å; I209-A213 WeakPolarHBondContact O-CB 3.38Å; I209-A213 PolarHBondContact O-N 2.93Å; Y210-A213 PolarHBondContact O-N 3.47Å; A213-G218 WeakPolarHBondContact O-CA 3.41Å; A213-G218 PolarHBondContact O-N 2.93Å |
| 214 | L | 94.1 | Very high | 92.3 | Very high | 69 Ų | 69 | 45.6 Ų | 45.6 | 36% | 0.361 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -83.3 | -30.5 | -177.3 | -63 | -173.5 | 0 | 0 | 0 | 114 | F129 F133 V175 Y210 P219 | F129-L214 HydrophobicContact CE1-CB 4.14Å; F133-L214 WeakPolarHBondContact CE1-O 3.28Å; V175-L214 HydrophobicContact CG1-CD1 4.25Å; V175-L214 HydrophobicContact CG2-CD1 4.1Å; Y210-L214 HydrophobicContact CD2-CD1 3.95Å; Y210-L214 HydrophobicContact CE2-CD1 3.4Å; Y210-L214 HydrophobicContact CE2-CG 4.4Å; Y210-L214 PolarHBondContact O-N 3.07Å; L214-P219 WeakPolarHBondContact O-CD 3.42Å; L214-P219 WeakPolarHBondContact O-CG 3.5Å |
| 215 | G | 91.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -97.5 | -9.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F129 T211 | F129-G215 VanDerWaalsContact CE1-CA 3.49Å; T211-G215 WeakPolarHBondContact O-CA 3.38Å; T211-G215 PolarHBondContact O-N 3.11Å |
| 216 | F | 91.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -140.7 | -70.8 | 179.5 | -167.7 | -98.6 | 0 | 0 | 0 | 113.4 | A212 P219 L220 F266 V267 W270 M271 Y274 | A212-F216 WeakPolarHBondContact O-CA 3.46Å; A212-F216 WeakPolarHBondContact O-CB 3.4Å; A212-F216 PolarHBondContact O-N 3.44Å; A212-F216 VanDerWaalsContact O-N 3.09Å; F216-P219 WeakPolarHBondContact O-CD 3.44Å; F216-L220 HydrophobicContact CD1-CD2 4.46Å; F216-L220 HydrophobicContact CE1-CD2 3.77Å; F216-L220 HydrophobicContact CZ-CD2 3.88Å; F216-L220 WeakPolarHBondContact O-CB 3.33Å; F216-L220 PolarHBondContact O-N 3.46Å; F216-F266 HydrophobicContact CD2-CD1 4.39Å; F216-F266 AromaticContact CD2-CE1 3.57Å; F216-F266 HydrophobicContact CD2-CE1 3.57Å; F216-F266 HydrophobicContact CD2-CZ 4.23Å; F216-F266 HydrophobicContact CE2-CD1 4.26Å; F216-F266 AromaticContact CE2-CE1 3.89Å; F216-F266 HydrophobicContact CE2-CE1 3.89Å; F216-V267 HydrophobicContact CE2-CG2 4.44Å; F216-V267 HydrophobicContact CZ-CG1 4.42Å; F216-V267 HydrophobicContact CZ-CG2 4.23Å; F216-W270 HydrophobicContact CD2-CB 3.76Å; F216-W270 HydrophobicContact CE2-CB 3.85Å; F216-M271 HydrophobicContact CE1-CB 4.41Å; F216-M271 HydrophobicContact CE2-CB 4.23Å; F216-M271 HydrophobicContact CZ-CB 3.69Å; F216-M271 HydrophobicContact CZ-CG 4.22Å; F216-Y274 HydrophobicContact CB-CD2 3.6Å; F216-Y274 HydrophobicContact CB-CE2 3.52Å; F216-Y274 HydrophobicContact CB-CG 4.3Å; F216-Y274 AromaticContact CD2-CD2 3.85Å; F216-Y274 HydrophobicContact CD2-CD2 3.85Å; F216-Y274 HydrophobicContact CD2-CE2 4.04Å; F216-Y274 AromaticContact CG-CD2 3.76Å; F216-Y274 HydrophobicContact CG-CD2 3.76Å; F216-Y274 HydrophobicContact CG-CE2 4.06Å |
| 217 | F | 92.4 | Very high | 92 | Very high | 98 Ų | 98 | 43 Ų | 43 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -68 | -45.4 | -165 | -69.1 | -71.6 | 0 | 0 | 0 | 113.7 | A212 L220 L221 I278 | A212-F217 HydrophobicContact CB-CD2 4.11Å; A212-F217 HydrophobicContact CB-CE2 4.08Å; A212-F217 WeakPolarHBondContact O-CD2 3.19Å; A212-F217 PolarHBondContact O-N 3.22Å; F217-L220 PolarHBondContact O-N 3.16Å; F217-L221 WeakPolarHBondContact O-CB 3.25Å; F217-L221 PolarHBondContact O-N 2.95Å; F217-I278 HydrophobicContact CE2-CD1 4.01Å |
| 218 | G | 94.1 | Very high | 91.7 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 35% | 0.351 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.7 | -53.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A213 L220 L221 V222 | A213-G218 WeakPolarHBondContact O-CA 3.41Å; A213-G218 PolarHBondContact O-N 2.93Å; G218-L220 PolarHBondContact O-N 3.3Å; G218-L221 WeakPolarHBondContact O-CB 3.4Å; G218-L221 PolarHBondContact O-N 3.44Å; G218-V222 WeakPolarHBondContact O-CG2 3.2Å; G218-V222 PolarHBondContact O-N 3.49Å; G218-V222 VanDerWaalsContact O-N 3.11Å |
| 219 | P | 93.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 49.3 Ų | 49.3 | 7% | 0.065 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.2 | -46.1 | 173.2 | -28.1 | 35.1 | 0 | 0 | 0 | 113.9 | I132 F133 T136 L214 F216 L221 V222 I223 | I132-P219 HydrophobicContact CD1-CB 3.83Å; I132-P219 HydrophobicContact CG1-CB 3.38Å; I132-P219 HydrophobicContact CG1-CG 3.81Å; I132-P219 HydrophobicContact CG2-CG 4.45Å; F133-P219 HydrophobicContact CE1-CG 4.45Å; T136-P219 WeakPolarHBondContact OG1-CB 3.5Å; L214-P219 WeakPolarHBondContact O-CD 3.42Å; L214-P219 WeakPolarHBondContact O-CG 3.5Å; F216-P219 WeakPolarHBondContact O-CD 3.44Å; P219-L221 VanDerWaalsContact C-N 3.31Å; P219-L221 PolarHBondContact O-N 3.29Å; P219-V222 PolarHBondContact O-N 3.49Å; P219-I223 WeakPolarHBondContact O-CB 3.49Å; P219-I223 VanDerWaalsContact O-CG1 3.24Å; P219-I223 WeakPolarHBondContact O-CG1 3.42Å; P219-I223 PolarHBondContact O-N 3.26Å |
| 220 | L | 91.1 | Very high | 91.3 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -39.8 | 179.2 | -178.1 | 61.1 | 0 | 0 | 0 | 111.5 | F216 F217 G218 I223 C224 V263 V267 | F216-L220 HydrophobicContact CD1-CD2 4.46Å; F216-L220 HydrophobicContact CE1-CD2 3.77Å; F216-L220 HydrophobicContact CZ-CD2 3.88Å; F216-L220 WeakPolarHBondContact O-CB 3.33Å; F216-L220 PolarHBondContact O-N 3.46Å; F217-L220 PolarHBondContact O-N 3.16Å; G218-L220 PolarHBondContact O-N 3.3Å; L220-I223 PolarHBondContact O-N 3.43Å; L220-C224 VanDerWaalsContact O-CB 3.29Å; L220-C224 WeakPolarHBondContact O-CB 3.43Å; L220-C224 PolarHBondContact O-N 3.35Å; L220-C224 PolarHBondContact O-SG 3.29Å; L220-V263 HydrophobicContact CD1-CG1 4.04Å; L220-V267 HydrophobicContact CD1-CG2 3.65Å; L220-V267 HydrophobicContact CD2-CG2 3.98Å; L220-V267 HydrophobicContact CG-CG2 4.48Å |
| 221 | L | 93.4 | Very high | 90.7 | Very high | 107 Ų | 107 | 43.2 Ų | 43.2 | 56% | 0.56 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.4 | -48.5 | 173.6 | 177.6 | 62 | 0 | 0 | 0 | 111.6 | F217 G218 P219 I223 C224 L225 | F217-L221 WeakPolarHBondContact O-CB 3.25Å; F217-L221 PolarHBondContact O-N 2.95Å; G218-L221 WeakPolarHBondContact O-CB 3.4Å; G218-L221 PolarHBondContact O-N 3.44Å; P219-L221 VanDerWaalsContact C-N 3.31Å; P219-L221 PolarHBondContact O-N 3.29Å; L221-I223 VanDerWaalsContact C-N 3.34Å; L221-I223 PolarHBondContact O-N 3.24Å; L221-C224 PolarHBondContact O-N 3.43Å; L221-L225 HydrophobicContact CD1-CD1 3.96Å; L221-L225 HydrophobicContact CD1-CG 4.13Å; L221-L225 HydrophobicContact CG-CD1 3.97Å; L221-L225 WeakPolarHBondContact O-CB 3.22Å; L221-L225 VanDerWaalsContact O-CG 3.26Å; L221-L225 WeakPolarHBondContact O-CG 3.38Å; L221-L225 PolarHBondContact O-N 3.3Å |
| 222 | V | 94.6 | Very high | 90.3 | Very high | 62 Ų | 62 | 46.7 Ų | 46.7 | 38% | 0.376 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 178 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | T136 V140 G218 P219 C226 | T136-V222 HydrophobicContact CG2-CB 4.01Å; T136-V222 HydrophobicContact CG2-CG1 3.64Å; V140-V222 HydrophobicContact CG2-CG1 4.19Å; G218-V222 WeakPolarHBondContact O-CG2 3.2Å; G218-V222 PolarHBondContact O-N 3.49Å; G218-V222 VanDerWaalsContact O-N 3.11Å; P219-V222 PolarHBondContact O-N 3.49Å; V222-C226 WeakPolarHBondContact O-CB 3.46Å; V222-C226 PolarHBondContact O-N 3.22Å; V222-C226 PolarHBondContact O-SG 3.38Å |
| 223 | I | 90.8 | Very high | 89.9 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -51.2 | 176.2 | -71.3 | 168.4 | 0 | 0 | 0 | 110.8 | I132 L135 T136 P219 L220 L221 L225 C226 Y227 V263 | I132-I223 HydrophobicContact CD1-CD1 3.96Å; L135-I223 HydrophobicContact CB-CD1 4.41Å; T136-I223 HydrophobicContact CG2-CG1 4.45Å; P219-I223 WeakPolarHBondContact O-CB 3.49Å; P219-I223 VanDerWaalsContact O-CG1 3.24Å; P219-I223 WeakPolarHBondContact O-CG1 3.42Å; P219-I223 PolarHBondContact O-N 3.26Å; L220-I223 PolarHBondContact O-N 3.43Å; L221-I223 VanDerWaalsContact C-N 3.34Å; L221-I223 PolarHBondContact O-N 3.24Å; I223-L225 PolarHBondContact O-N 2.89Å; I223-C226 WeakPolarHBondContact O-CB 3.03Å; I223-C226 PolarHBondContact O-N 3.37Å; I223-Y227 HydrophobicContact CG2-CD2 3.97Å; I223-Y227 HydrophobicContact CG2-CE2 4.17Å; I223-Y227 VanDerWaalsContact O-CD2 3.29Å; I223-Y227 WeakPolarHBondContact O-CD2 3.38Å; I223-Y227 PolarHBondContact O-N 2.87Å; I223-V263 HydrophobicContact CG2-CB 4.27Å; I223-V263 HydrophobicContact CG2-CG1 3.76Å; I223-V263 HydrophobicContact CG2-CG2 3.48Å; I223-V263 VanDerWaalsContact CG2-CG2 3.48Å |
| 224 | C | 89.2 | Confident | 89.1 | Confident | 67 Ų | 67 | 50.9 Ų | 50.9 | 45% | 0.453 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61 | -42 | 179.6 | -76.2 | 0 | 0 | 0 | 0 | 112.3 | L220 L221 Y227 L228 | L220-C224 VanDerWaalsContact O-CB 3.29Å; L220-C224 WeakPolarHBondContact O-CB 3.43Å; L220-C224 PolarHBondContact O-N 3.35Å; L220-C224 PolarHBondContact O-SG 3.29Å; L221-C224 PolarHBondContact O-N 3.43Å; C224-Y227 PolarHBondContact O-N 3.47Å; C224-L228 WeakPolarHBondContact O-CB 3.47Å; C224-L228 PolarHBondContact O-N 2.93Å |
| 225 | L | 91.6 | Very high | 88.3 | Confident | 85 Ų | 85 | 55.8 Ų | 55.8 | 45% | 0.445 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 174.5 | -71 | 170.6 | 0 | 0 | 0 | 111.8 | L221 I223 Y227 L228 L229 | L221-L225 HydrophobicContact CD1-CD1 3.96Å; L221-L225 HydrophobicContact CD1-CG 4.13Å; L221-L225 HydrophobicContact CG-CD1 3.97Å; L221-L225 WeakPolarHBondContact O-CB 3.22Å; L221-L225 VanDerWaalsContact O-CG 3.26Å; L221-L225 WeakPolarHBondContact O-CG 3.38Å; L221-L225 PolarHBondContact O-N 3.3Å; I223-L225 PolarHBondContact O-N 2.89Å; L225-Y227 PolarHBondContact O-N 3.43Å; L225-L228 PolarHBondContact O-N 2.88Å; L225-L229 WeakPolarHBondContact O-CB 3.3Å; L225-L229 VanDerWaalsContact O-CG 3.28Å; L225-L229 WeakPolarHBondContact O-CG 3.33Å; L225-L229 PolarHBondContact O-N 3.06Å |
| 226 | C | 90.9 | Very high | 87.7 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 8% | 0.081 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.4 | -47.2 | 174.5 | -72.7 | 0 | 0 | 0 | 0 | 111.6 | V222 I223 L229 I230 | V222-C226 WeakPolarHBondContact O-CB 3.46Å; V222-C226 PolarHBondContact O-N 3.22Å; V222-C226 PolarHBondContact O-SG 3.38Å; I223-C226 WeakPolarHBondContact O-CB 3.03Å; I223-C226 PolarHBondContact O-N 3.37Å; C226-L229 PolarHBondContact O-N 2.64Å; C226-I230 WeakPolarHBondContact O-CD1 3.38Å; C226-I230 VanDerWaalsContact O-CG1 3.23Å; C226-I230 WeakPolarHBondContact O-CG1 3.49Å; C226-I230 PolarHBondContact O-N 3.27Å |
| 227 | Y | 85.2 | Confident | 86.7 | Confident | 21 Ų | 21 | 59 Ų | 59 | 8% | 0.082 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71 | -36.7 | -180 | -79.6 | -66.2 | 0 | 0 | 0 | 113.9 | I223 C224 L225 I230 V231 T256 V259 V260 | I223-Y227 HydrophobicContact CG2-CD2 3.97Å; I223-Y227 HydrophobicContact CG2-CE2 4.17Å; I223-Y227 VanDerWaalsContact O-CD2 3.29Å; I223-Y227 WeakPolarHBondContact O-CD2 3.38Å; I223-Y227 PolarHBondContact O-N 2.87Å; C224-Y227 PolarHBondContact O-N 3.47Å; L225-Y227 PolarHBondContact O-N 3.43Å; Y227-I230 HydrophobicContact CD1-CD1 3.89Å; Y227-I230 HydrophobicContact CE1-CD1 3.77Å; Y227-I230 PolarHBondContact O-N 3Å; Y227-V231 WeakPolarHBondContact O-CG2 3.32Å; Y227-V231 PolarHBondContact O-N 3.24Å; Y227-T256 HydrophobicContact CD1-CG2 4.07Å; Y227-T256 HydrophobicContact CE1-CG2 4.01Å; Y227-V259 HydrophobicContact CE2-CB 4.48Å; Y227-V259 HydrophobicContact CE2-CG1 3.93Å; Y227-V259 WeakPolarHBondContact OH-CB 3.32Å; Y227-V259 WeakPolarHBondContact OH-CG1 3.35Å; Y227-V260 HydrophobicContact CD1-CG2 4.24Å; Y227-V260 HydrophobicContact CG-CG2 4.48Å |
| 228 | L | 85.9 | Confident | 85.2 | Confident | 105 Ų | 105 | 56 Ų | 56 | 55% | 0.55 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.1 | -48.2 | 172.7 | -179.4 | 61.1 | 0 | 0 | 0 | 111 | C224 L225 V231 V232 | C224-L228 WeakPolarHBondContact O-CB 3.47Å; C224-L228 PolarHBondContact O-N 2.93Å; L225-L228 PolarHBondContact O-N 2.88Å; L228-V231 PolarHBondContact O-N 2.9Å; L228-V232 HydrophobicContact CD1-CG2 4.43Å; L228-V232 WeakPolarHBondContact O-CG2 3.26Å; L228-V232 PolarHBondContact O-N 3.08Å |
| 229 | L | 88.6 | Confident | 83.4 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 43% | 0.429 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 179.1 | -66.3 | 171.5 | 0 | 0 | 0 | 112.7 | Y143 L225 C226 V232 K233 | Y143-L229 HydrophobicContact CD2-CB 3.96Å; Y143-L229 HydrophobicContact CD2-CD1 4.34Å; Y143-L229 HydrophobicContact CE2-CB 3.66Å; Y143-L229 HydrophobicContact CE2-CD1 3.66Å; Y143-L229 HydrophobicContact CE2-CG 4.31Å; L225-L229 WeakPolarHBondContact O-CB 3.3Å; L225-L229 VanDerWaalsContact O-CG 3.28Å; L225-L229 WeakPolarHBondContact O-CG 3.33Å; L225-L229 PolarHBondContact O-N 3.06Å; C226-L229 PolarHBondContact O-N 2.64Å; L229-V232 PolarHBondContact O-N 3.5Å; L229-K233 VanDerWaalsContact O-CB 3.27Å; L229-K233 WeakPolarHBondContact O-CB 3Å; L229-K233 PolarHBondContact O-N 3.21Å |
| 230 | I | 85.5 | Confident | 81.5 | Confident | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.7 | -49.9 | 170.4 | -72.1 | 163.7 | 0 | 0 | 0 | 110.2 | R142 V146 V147 C226 Y227 V232 K233 V234 | R142-I230 HydrophobicContact CB-CD1 4.35Å; V146-I230 HydrophobicContact CG1-CG2 4.28Å; V147-I230 HydrophobicContact CG2-CG1 4.43Å; C226-I230 WeakPolarHBondContact O-CD1 3.38Å; C226-I230 VanDerWaalsContact O-CG1 3.23Å; C226-I230 WeakPolarHBondContact O-CG1 3.49Å; C226-I230 PolarHBondContact O-N 3.27Å; Y227-I230 HydrophobicContact CD1-CD1 3.89Å; Y227-I230 HydrophobicContact CE1-CD1 3.77Å; Y227-I230 PolarHBondContact O-N 3Å; I230-V232 PolarHBondContact O-N 3.05Å; I230-K233 PolarHBondContact O-N 3.22Å; I230-V234 HydrophobicContact CG2-CG2 4.38Å; I230-V234 WeakPolarHBondContact O-CB 3.45Å; I230-V234 VanDerWaalsContact O-CG2 3.29Å; I230-V234 WeakPolarHBondContact O-CG2 3.18Å; I230-V234 PolarHBondContact O-N 3.32Å |
| 231 | V | 82.4 | Confident | 79.5 | Confident | 54 Ų | 54 | 76 Ų | 76 | 33% | 0.327 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | -178.7 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | Y227 L228 V234 R235 | Y227-V231 WeakPolarHBondContact O-CG2 3.32Å; Y227-V231 PolarHBondContact O-N 3.24Å; L228-V231 PolarHBondContact O-N 2.9Å; V231-V234 PolarHBondContact O-N 3.05Å; V231-R235 HydrophobicContact CG1-CG 4.39Å; V231-R235 WeakPolarHBondContact O-CB 3.5Å; V231-R235 WeakPolarHBondContact O-CG 3.31Å; V231-R235 PolarHBondContact O-N 2.89Å |
| 232 | V | 83.9 | Confident | 77.2 | Confident | 83 Ų | 83 | 82.8 Ų | 82.8 | 50% | 0.503 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 175.7 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | L228 L229 I230 R235 S236 | L228-V232 HydrophobicContact CD1-CG2 4.43Å; L228-V232 WeakPolarHBondContact O-CG2 3.26Å; L228-V232 PolarHBondContact O-N 3.08Å; L229-V232 PolarHBondContact O-N 3.5Å; I230-V232 PolarHBondContact O-N 3.05Å; V232-R235 PolarHBondContact O-N 3.48Å; V232-S236 WeakPolarHBondContact O-CB 3.29Å; V232-S236 PolarHBondContact O-N 3.19Å; V232-S236 PolarHBondContact O-OG 2.94Å |
| 233 | K | 83.3 | Confident | 74.8 | Confident | 78 Ų | 78 | 82.9 Ų | 82.9 | 34% | 0.339 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 178.2 | -174.5 | 57.1 | 155 | 52.2 | 0 | 112.6 | V147 L229 I230 S236 A237 | V147-K233 HydrophobicContact CB-CG 4.42Å; V147-K233 HydrophobicContact CG1-CG 4.26Å; V147-K233 HydrophobicContact CG2-CB 4.05Å; V147-K233 HydrophobicContact CG2-CG 4.14Å; L229-K233 VanDerWaalsContact O-CB 3.27Å; L229-K233 WeakPolarHBondContact O-CB 3Å; L229-K233 PolarHBondContact O-N 3.21Å; I230-K233 PolarHBondContact O-N 3.22Å; K233-S236 WeakPolarHBondContact CA-OG 3.29Å; K233-S236 PolarHBondContact O-OG 2.03Å; K233-S236 VanDerWaalsContact O-OG 3.14Å; K233-A237 VanDerWaalsContact O-CB 3.3Å; K233-A237 WeakPolarHBondContact O-CB 3.36Å; K233-A237 PolarHBondContact O-N 3.06Å |
| 234 | V | 77.6 | Confident | 72.9 | Confident | 56 Ų | 56 | 88.7 Ų | 88.7 | 34% | 0.339 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.8 | -40.4 | 176.4 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | V146 I230 V231 G238 | V146-V234 HydrophobicContact CG1-CG2 3.84Å; I230-V234 HydrophobicContact CG2-CG2 4.38Å; I230-V234 WeakPolarHBondContact O-CB 3.45Å; I230-V234 VanDerWaalsContact O-CG2 3.29Å; I230-V234 WeakPolarHBondContact O-CG2 3.18Å; I230-V234 PolarHBondContact O-N 3.32Å; V231-V234 PolarHBondContact O-N 3.05Å; V234-G238 PolarHBondContact O-N 3.44Å |
| 235 | R | 77.6 | Confident | 71.2 | Confident | 171 Ų | 171 | 88.1 Ų | 88.1 | 65% | 0.645 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -69.9 | -31.9 | 175.9 | -74.9 | 177.3 | 170.6 | 160.1 | -3.8 | 113.2 | V231 V232 R239 | V231-R235 HydrophobicContact CG1-CG 4.39Å; V231-R235 WeakPolarHBondContact O-CB 3.5Å; V231-R235 WeakPolarHBondContact O-CG 3.31Å; V231-R235 PolarHBondContact O-N 2.89Å; V232-R235 PolarHBondContact O-N 3.48Å; R235-R239 PolarHBondContact O-N 3.21Å; R235-R239 PolarHBondContact O-NE 2.95Å |
| 236 | S | 78 | Confident | 69.2 | Low | 32 Ų | 32 | 89.3 Ų | 89.3 | 22% | 0.224 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -82 | -24 | 175.5 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | V232 K233 R240 | V232-S236 WeakPolarHBondContact O-CB 3.29Å; V232-S236 PolarHBondContact O-N 3.19Å; V232-S236 PolarHBondContact O-OG 2.94Å; K233-S236 WeakPolarHBondContact CA-OG 3.29Å; K233-S236 PolarHBondContact O-OG 2.03Å; K233-S236 VanDerWaalsContact O-OG 3.14Å; S236-R240 PolarHBondContact O-NE 2.96Å |
| 237 | A | 71.1 | Confident | 67.4 | Low | 39 Ų | 39 | 97.1 Ų | 97.1 | 32% | 0.322 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -77.7 | -39.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K233 R239 R240 V241 | K233-A237 VanDerWaalsContact O-CB 3.3Å; K233-A237 WeakPolarHBondContact O-CB 3.36Å; K233-A237 PolarHBondContact O-N 3.06Å; A237-R239 PolarHBondContact O-N 2.79Å; A237-R240 PolarHBondContact O-N 2.97Å; A237-V241 PolarHBondContact O-N 3.34Å |
| 238 | G | 61 | Low | 65.8 | Low | 35 Ų | 35 | 103.6 Ų | 103.6 | 36% | 0.361 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -24 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V234 | V234-G238 PolarHBondContact O-N 3.44Å |
| 239 | R | 55.7 | Low | 64.4 | Low | 212 Ų | 212 | 102.8 Ų | 102.8 | 80% | 0.8 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -0.3 | 173 | -76.1 | -176 | -74.5 | -176 | 1.4 | 114.6 | R235 A237 | R235-R239 PolarHBondContact O-N 3.21Å; R235-R239 PolarHBondContact O-NE 2.95Å; A237-R239 PolarHBondContact O-N 2.79Å |
| 240 | R | 54.9 | Low | 62.9 | Low | 193 Ų | 193 | 108.7 Ų | 108.7 | 73% | 0.728 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | -14.5 | -177 | -77.3 | -172.5 | -75.4 | -168.2 | -1 | 115.4 | S236 A237 | S236-R240 PolarHBondContact O-NE 2.96Å; A237-R240 PolarHBondContact O-N 2.97Å |
| 241 | V | 48.5 | Very low | 61.4 | Low | 93 Ų | 93 | 111.6 Ų | 111.6 | 56% | 0.564 | 55% | 0.55 | S | S | * | * | trans | -144.9 | 125.8 | 173.4 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | A237 | A237-V241 PolarHBondContact O-N 3.34Š| ||
| 242 | W | 45.3 | Very low | 60.4 | Low | 251 Ų | 251 | 112.1 Ų | 112.1 | 95% | 0.951 | 55% | 0.549 | S | S | * | . | trans | -103.2 | 150.5 | 164.6 | -165.1 | 70.3 | 0 | 0 | 0 | 108.3 | ||||
| 243 | A | 44.8 | Very low | 59.5 | Low | 63 Ų | 63 | 116.5 Ų | 116.5 | 52% | 0.521 | 56% | 0.556 | S | S | . | * | S | Bend | trans | 59.6 | 173 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 244 | P | 50.3 | Low | 58.7 | Low | 126 Ų | 126 | 117.1 Ų | 117.1 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | S | Bend | -114.9 | 106 | -57.8 | 32.5 | -24.1 | 0 | 0 | 0 | 110.8 | |||
| 245 | S | 52.8 | Low | 57.9 | Low | 56 Ų | 56 | 116.7 Ų | 116.7 | 39% | 0.392 | 55% | 0.554 | S | S | . | * | trans | -155.3 | 38.1 | 174.6 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | Q247 R248 R249 | S245-Q247 VanDerWaalsContact C-N 3.3Å; S245-Q247 PolarHBondContact O-N 3.17Å; S245-R248 PolarHBondContact O-N 3.26Å; S245-R249 PolarHBondContact O-N 2.55Å | ||
| 246 | C | 50.4 | Low | 57.3 | Low | 109 Ų | 109 | 110.3 Ų | 110.3 | 74% | 0.736 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -53.6 | -43.3 | -174.7 | -75.3 | 0 | 0 | 0 | 0 | 112.9 | R248 R249 R250 | C246-R248 PolarHBondContact O-N 3.41Å; C246-R249 PolarHBondContact O-N 3.13Å; C246-R250 WeakPolarHBondContact O-CB 2.99Å; C246-R250 PolarHBondContact O-N 3.31Å |
| 247 | Q | 52.5 | Low | 57 | Low | 177 Ų | 177 | 116.9 Ų | 116.9 | 83% | 0.827 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.8 | -47.8 | -179.9 | -133.9 | 179.2 | 20.3 | 0 | 0 | 112.4 | S245 R250 S251 | S245-Q247 VanDerWaalsContact C-N 3.3Å; S245-Q247 PolarHBondContact O-N 3.17Å; Q247-R250 PolarHBondContact O-N 3.41Å; Q247-S251 PolarHBondContact O-N 3.37Å |
| 248 | R | 51.7 | Low | 56.9 | Low | 157 Ų | 157 | 115.7 Ų | 115.7 | 59% | 0.592 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 176.2 | -179.2 | 174.3 | 172.4 | 169.3 | 0.4 | 112 | S245 C246 R250 S251 E252 | S245-R248 PolarHBondContact O-N 3.26Å; C246-R248 PolarHBondContact O-N 3.41Å; R248-R250 VanDerWaalsContact C-N 3.3Å; R248-R250 PolarHBondContact O-N 3.4Å; R248-S251 PolarHBondContact O-N 2.88Å; R248-S251 PolarHBondContact O-OG 3.18Å; R248-E252 WeakPolarHBondContact CG-OE1 3.46Å; R248-E252 IonicContact CZ-OE1 3.62Å; R248-E252 IonicContact NE-OE1 2.83Å; R248-E252 PolarHBondContact NE-OE1 3.49Å; R248-E252 IonicContact NH2-OE1 3.5Å; R248-E252 PolarHBondContact NH2-OE1 3.24Å; R248-E252 WeakPolarHBondContact O-CB 3.19Å; R248-E252 WeakPolarHBondContact O-CG 3.35Å; R248-E252 PolarHBondContact O-N 2.88Å |
| 249 | R | 56.7 | Low | 57.2 | Low | 87 Ų | 87 | 114.2 Ų | 114.2 | 33% | 0.328 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -32.4 | 174.4 | -71.9 | -170.1 | 176.4 | -161.5 | 5.3 | 112.5 | S245 C246 R253 | S245-R249 PolarHBondContact O-N 2.55Å; C246-R249 PolarHBondContact O-N 3.13Å; R249-R253 VanDerWaalsContact O-CB 3.24Å; R249-R253 WeakPolarHBondContact O-CB 3.21Å; R249-R253 WeakPolarHBondContact O-CG 3.15Å; R249-R253 PolarHBondContact O-N 3.42Å |
| 250 | R | 56.2 | Low | 58 | Low | 206 Ų | 206 | 107.7 Ų | 107.7 | 78% | 0.777 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.8 | -38.8 | 177.5 | -159.1 | 173.3 | -167.4 | 177.5 | 2.6 | 110.9 | C246 Q247 R248 R254 | C246-R250 WeakPolarHBondContact O-CB 2.99Å; C246-R250 PolarHBondContact O-N 3.31Å; Q247-R250 PolarHBondContact O-N 3.41Å; R248-R250 VanDerWaalsContact C-N 3.3Å; R248-R250 PolarHBondContact O-N 3.4Å; R250-R254 WeakPolarHBondContact O-CB 3.43Å; R250-R254 PolarHBondContact O-N 3.2Å |
| 251 | S | 55.2 | Low | 59.1 | Low | 65 Ų | 65 | 100.1 Ų | 100.1 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.5 | -44.2 | 174.6 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | Q247 R248 R254 V255 | Q247-S251 PolarHBondContact O-N 3.37Å; R248-S251 PolarHBondContact O-N 2.88Å; R248-S251 PolarHBondContact O-OG 3.18Å; S251-R254 WeakPolarHBondContact O-CB 3.18Å; S251-R254 PolarHBondContact O-N 3.3Å; S251-R254 VanDerWaalsContact O-N 3.17Å; S251-V255 PolarHBondContact O-N 3.03Å |
| 252 | E | 60.9 | Low | 60.3 | Low | 66 Ų | 66 | 95.8 Ų | 95.8 | 31% | 0.308 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 175 | -72 | 171.7 | -174.5 | 0 | 0 | 111.1 | R248 R254 V255 T256 | R248-E252 WeakPolarHBondContact CG-OE1 3.46Å; R248-E252 IonicContact CZ-OE1 3.62Å; R248-E252 IonicContact NE-OE1 2.83Å; R248-E252 PolarHBondContact NE-OE1 3.49Å; R248-E252 IonicContact NH2-OE1 3.5Å; R248-E252 PolarHBondContact NH2-OE1 3.24Å; R248-E252 WeakPolarHBondContact O-CB 3.19Å; R248-E252 WeakPolarHBondContact O-CG 3.35Å; R248-E252 PolarHBondContact O-N 2.88Å; E252-R254 VanDerWaalsContact C-N 3.35Å; E252-R254 PolarHBondContact O-N 2.87Å; E252-V255 PolarHBondContact O-N 2.97Å; E252-T256 PolarHBondContact O-N 2.84Å; E252-T256 PolarHBondContact O-OG1 3.13Å; E252-T256 VanDerWaalsContact O-OG1 3.11Å |
| 253 | R | 64.6 | Low | 61.8 | Low | 174 Ų | 174 | 84.6 Ų | 84.6 | 66% | 0.657 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -59.9 | -39.4 | 172.5 | -77.8 | 175.4 | 176 | -169.5 | -0.6 | 112.9 | R249 T256 R257 | R249-R253 VanDerWaalsContact O-CB 3.24Å; R249-R253 WeakPolarHBondContact O-CB 3.21Å; R249-R253 WeakPolarHBondContact O-CG 3.15Å; R249-R253 PolarHBondContact O-N 3.42Å; R253-T256 PolarHBondContact O-N 3.04Å; R253-R257 WeakPolarHBondContact O-CB 3.43Å; R253-R257 PolarHBondContact O-N 3.4Å |
| 254 | R | 66 | Low | 63.6 | Low | 91 Ų | 91 | 83.9 Ų | 83.9 | 34% | 0.343 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 177.4 | -178.3 | 178.9 | -177.3 | 150.6 | 5.4 | 111.4 | R250 S251 E252 M258 L316 | R250-R254 WeakPolarHBondContact O-CB 3.43Å; R250-R254 PolarHBondContact O-N 3.2Å; S251-R254 WeakPolarHBondContact O-CB 3.18Å; S251-R254 PolarHBondContact O-N 3.3Å; S251-R254 VanDerWaalsContact O-N 3.17Å; E252-R254 VanDerWaalsContact C-N 3.35Å; E252-R254 PolarHBondContact O-N 2.87Å; R254-M258 PolarHBondContact O-N 3.23Å; R254-L316 PolarHBondContact NE-O 3.49Å; R254-L316 PolarHBondContact NH2-O 3.32Å |
| 255 | V | 60.8 | Low | 65.2 | Low | 48 Ų | 48 | 79.6 Ų | 79.6 | 29% | 0.291 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.8 | -39.8 | 178.7 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | S251 E252 M258 V259 | S251-V255 PolarHBondContact O-N 3.03Å; E252-V255 PolarHBondContact O-N 2.97Å; V255-M258 WeakPolarHBondContact O-CB 3.47Å; V255-M258 PolarHBondContact O-N 3.3Å; V255-V259 PolarHBondContact O-N 3.43Å |
| 256 | T | 66.3 | Low | 66.6 | Low | 36 Ų | 36 | 77.1 Ų | 77.1 | 22% | 0.221 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 172.7 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | Y227 E252 R253 M258 V259 V260 | Y227-T256 HydrophobicContact CD1-CG2 4.07Å; Y227-T256 HydrophobicContact CE1-CG2 4.01Å; E252-T256 PolarHBondContact O-N 2.84Å; E252-T256 PolarHBondContact O-OG1 3.13Å; E252-T256 VanDerWaalsContact O-OG1 3.11Å; R253-T256 PolarHBondContact O-N 3.04Å; T256-M258 VanDerWaalsContact C-N 3.3Å; T256-M258 PolarHBondContact O-N 3.29Å; T256-V259 PolarHBondContact O-N 3.16Å; T256-V260 HydrophobicContact CG2-CG2 4.47Å; T256-V260 WeakPolarHBondContact O-CG2 3.28Å; T256-V260 PolarHBondContact O-N 3.42Å |
| 257 | R | 72.1 | Confident | 68.4 | Low | 170 Ų | 170 | 73.7 Ų | 73.7 | 64% | 0.642 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.2 | -37.6 | 175.3 | 176.8 | 170.2 | 58.1 | 171 | -2.4 | 112.5 | R253 A261 | R253-R257 WeakPolarHBondContact O-CB 3.43Å; R253-R257 PolarHBondContact O-N 3.4Å; R257-A261 PolarHBondContact O-N 2.85Å |
| 258 | M | 68.3 | Low | 70.1 | Confident | 15 Ų | 15 | 71.2 Ų | 71.2 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.3 | -52 | 175.9 | -174.6 | -178.3 | 95.3 | 0 | 0 | 111.3 | R254 V255 T256 A261 V262 L312 L316 | R254-M258 PolarHBondContact O-N 3.23Å; V255-M258 WeakPolarHBondContact O-CB 3.47Å; V255-M258 PolarHBondContact O-N 3.3Å; T256-M258 VanDerWaalsContact C-N 3.3Å; T256-M258 PolarHBondContact O-N 3.29Å; M258-A261 WeakPolarHBondContact O-CB 3.49Å; M258-A261 PolarHBondContact O-N 3.37Å; M258-A261 VanDerWaalsContact O-N 3.16Å; M258-V262 WeakPolarHBondContact O-CG2 3.34Å; M258-V262 PolarHBondContact O-N 2.91Å; M258-V262 VanDerWaalsContact O-N 3.1Å; M258-L312 HydrophobicContact CG-CD2 4.1Å; M258-L316 HydrophobicContact CB-CB 4.18Å; M258-L316 HydrophobicContact CG-CB 3.68Å; M258-L316 HydrophobicContact CG-CD1 4.15Å; M258-L316 HydrophobicContact CG-CG 4.4Å; M258-L316 HydrophobicContact SD-CB 4.17Å |
| 259 | V | 66.9 | Low | 71.8 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.024 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.1 | -35.9 | -177.8 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | Y227 V255 T256 A261 V262 V263 | Y227-V259 HydrophobicContact CE2-CB 4.48Å; Y227-V259 HydrophobicContact CE2-CG1 3.93Å; Y227-V259 WeakPolarHBondContact OH-CB 3.32Å; Y227-V259 WeakPolarHBondContact OH-CG1 3.35Å; V255-V259 PolarHBondContact O-N 3.43Å; T256-V259 PolarHBondContact O-N 3.16Å; V259-A261 PolarHBondContact O-N 3.34Å; V259-V262 PolarHBondContact O-N 3.11Å; V259-V263 HydrophobicContact CG1-CG2 4.18Å; V259-V263 VanDerWaalsContact O-CG2 3.31Å; V259-V263 WeakPolarHBondContact O-CG2 3.31Å; V259-V263 PolarHBondContact O-N 2.92Å |
| 260 | V | 73.4 | Confident | 73.4 | Confident | 74 Ų | 74 | 60.6 Ų | 60.6 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.3 | -36.5 | 171.6 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | Y227 T256 V263 A264 | Y227-V260 HydrophobicContact CD1-CG2 4.24Å; Y227-V260 HydrophobicContact CG-CG2 4.48Å; T256-V260 HydrophobicContact CG2-CG2 4.47Å; T256-V260 WeakPolarHBondContact O-CG2 3.28Å; T256-V260 PolarHBondContact O-N 3.42Å; V260-V263 PolarHBondContact O-N 3.34Å; V260-A264 WeakPolarHBondContact O-CB 3.25Å; V260-A264 PolarHBondContact O-N 2.93Å |
| 261 | A | 77.6 | Confident | 75.1 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R257 M258 V259 A264 L265 L312 L316 | R257-A261 PolarHBondContact O-N 2.85Å; M258-A261 WeakPolarHBondContact O-CB 3.49Å; M258-A261 PolarHBondContact O-N 3.37Å; M258-A261 VanDerWaalsContact O-N 3.16Å; V259-A261 PolarHBondContact O-N 3.34Å; A261-A264 PolarHBondContact O-N 2.92Å; A261-L265 WeakPolarHBondContact O-CB 3.43Å; A261-L265 PolarHBondContact O-N 2.78Å; A261-L312 HydrophobicContact CB-CD1 4.47Å; A261-L316 HydrophobicContact CB-CD1 4Å |
| 262 | V | 72.8 | Confident | 76.8 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 174.4 | -167.4 | 0 | 0 | 0 | 0 | 111.2 | L135 M258 V259 L265 F266 L312 | L135-V262 HydrophobicContact CD1-CG1 3.82Å; L135-V262 HydrophobicContact CD2-CB 4.43Å; L135-V262 HydrophobicContact CD2-CG1 3.44Å; L135-V262 VanDerWaalsContact CD2-CG1 3.44Å; L135-V262 HydrophobicContact CG-CG1 4.28Å; M258-V262 WeakPolarHBondContact O-CG2 3.34Å; M258-V262 PolarHBondContact O-N 2.91Å; M258-V262 VanDerWaalsContact O-N 3.1Å; V259-V262 PolarHBondContact O-N 3.11Å; V262-L265 PolarHBondContact O-N 3.01Å; V262-F266 WeakPolarHBondContact O-CB 3.33Å; V262-F266 PolarHBondContact O-N 2.93Å; V262-L312 HydrophobicContact CB-CD1 4.17Å; V262-L312 HydrophobicContact CG2-CD1 3.83Å; V262-L312 HydrophobicContact CG2-CD2 3.45Å; V262-L312 VanDerWaalsContact CG2-CD2 3.45Å; V262-L312 HydrophobicContact CG2-CG 4.29Å |
| 263 | V | 76.8 | Confident | 78.2 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 180 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | L220 I223 V259 V260 F266 V267 | L220-V263 HydrophobicContact CD1-CG1 4.04Å; I223-V263 HydrophobicContact CG2-CB 4.27Å; I223-V263 HydrophobicContact CG2-CG1 3.76Å; I223-V263 HydrophobicContact CG2-CG2 3.48Å; I223-V263 VanDerWaalsContact CG2-CG2 3.48Å; V259-V263 HydrophobicContact CG1-CG2 4.18Å; V259-V263 VanDerWaalsContact O-CG2 3.31Å; V259-V263 WeakPolarHBondContact O-CG2 3.31Å; V259-V263 PolarHBondContact O-N 2.92Å; V260-V263 PolarHBondContact O-N 3.34Å; V263-F266 PolarHBondContact O-N 2.85Å; V263-V267 WeakPolarHBondContact O-CB 3.47Å; V263-V267 VanDerWaalsContact O-CG2 3.32Å; V263-V267 WeakPolarHBondContact O-CG2 3.46Å; V263-V267 PolarHBondContact O-N 3.24Å |
| 264 | A | 82.6 | Confident | 79.4 | Confident | 47 Ų | 47 | 45 Ų | 45 | 39% | 0.388 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V260 A261 V267 L268 | V260-A264 WeakPolarHBondContact O-CB 3.25Å; V260-A264 PolarHBondContact O-N 2.93Å; A261-A264 PolarHBondContact O-N 2.92Å; A264-V267 PolarHBondContact O-N 3.23Å; A264-L268 WeakPolarHBondContact O-CB 3.48Å; A264-L268 VanDerWaalsContact O-CG 3.25Å; A264-L268 WeakPolarHBondContact O-CG 3.34Å; A264-L268 PolarHBondContact O-N 3.21Å |
| 265 | L | 85.1 | Confident | 80.5 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 19% | 0.194 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.8 | -51.1 | 172.9 | 169.3 | 67.6 | 0 | 0 | 0 | 111.4 | A261 V262 V267 L268 C269 A308 L312 | A261-L265 WeakPolarHBondContact O-CB 3.43Å; A261-L265 PolarHBondContact O-N 2.78Å; V262-L265 PolarHBondContact O-N 3.01Å; L265-V267 VanDerWaalsContact C-N 3.32Å; L265-V267 PolarHBondContact O-N 3.35Å; L265-L268 PolarHBondContact O-N 3.14Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L265-C269 WeakPolarHBondContact O-CB 3.28Å; L265-C269 PolarHBondContact O-N 3.2Å; L265-A308 HydrophobicContact CD1-CB 3.79Å; L265-A308 HydrophobicContact CD2-CB 3.52Å; L265-A308 HydrophobicContact CG-CB 4.25Å; L265-L312 HydrophobicContact CB-CD1 4.37Å; L265-L312 HydrophobicContact CD2-CD1 3.69Å |
| 266 | F | 82.3 | Confident | 81.8 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.4 | -43.8 | 179.1 | 179.4 | -91 | 0 | 0 | 0 | 111.8 | I132 L135 F216 V262 V263 C269 W270 | I132-F266 HydrophobicContact CB-CE1 4.47Å; I132-F266 HydrophobicContact CB-CE2 3.79Å; I132-F266 HydrophobicContact CB-CZ 3.66Å; I132-F266 HydrophobicContact CD1-CD1 3.79Å; I132-F266 HydrophobicContact CD1-CD2 4.24Å; I132-F266 HydrophobicContact CD1-CE1 3.4Å; I132-F266 HydrophobicContact CD1-CE2 3.89Å; I132-F266 HydrophobicContact CD1-CG 4.2Å; I132-F266 HydrophobicContact CD1-CZ 3.47Å; I132-F266 VanDerWaalsContact CD1-CZ 3.47Å; I132-F266 HydrophobicContact CG1-CE1 3.85Å; I132-F266 HydrophobicContact CG1-CE2 4.06Å; I132-F266 HydrophobicContact CG1-CZ 3.51Å; L135-F266 HydrophobicContact CD1-CB 4.11Å; L135-F266 HydrophobicContact CD1-CD2 4.04Å; L135-F266 HydrophobicContact CD1-CG 4.17Å; F216-F266 HydrophobicContact CD2-CD1 4.39Å; F216-F266 AromaticContact CD2-CE1 3.57Å; F216-F266 HydrophobicContact CD2-CE1 3.57Å; F216-F266 HydrophobicContact CD2-CZ 4.23Å; F216-F266 HydrophobicContact CE2-CD1 4.26Å; F216-F266 AromaticContact CE2-CE1 3.89Å; F216-F266 HydrophobicContact CE2-CE1 3.89Å; V262-F266 WeakPolarHBondContact O-CB 3.33Å; V262-F266 PolarHBondContact O-N 2.93Å; V263-F266 PolarHBondContact O-N 2.85Å; F266-C269 PolarHBondContact O-N 2.88Å; F266-W270 AromaticContact CD2-CD1 3.36Å; F266-W270 HydrophobicContact CD2-CG 4.31Å; F266-W270 AromaticContact CD2-NE1 3.73Å; F266-W270 HydrophobicContact CE1-CB 4.33Å; F266-W270 HydrophobicContact CE1-CG 4.44Å; F266-W270 AromaticContact CE2-CD1 3.19Å; F266-W270 HydrophobicContact CE2-CD2 4.41Å; F266-W270 AromaticContact CE2-CG 3.84Å; F266-W270 HydrophobicContact CE2-CG 3.84Å; F266-W270 AromaticContact CE2-NE1 3.4Å; F266-W270 AromaticContact CG-CD1 3.99Å; F266-W270 HydrophobicContact CZ-CB 4.21Å; F266-W270 AromaticContact CZ-CD1 3.69Å; F266-W270 AromaticContact CZ-CG 3.89Å; F266-W270 HydrophobicContact CZ-CG 3.89Å; F266-W270 WeakPolarHBondContact O-CB 3.43Å; F266-W270 PolarHBondContact O-N 3.34Å |
| 267 | V | 86.8 | Confident | 82.8 | Confident | 36 Ų | 36 | 41.3 Ų | 41.3 | 22% | 0.218 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -46 | 175.2 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | F216 L220 V263 A264 L265 C269 M271 | F216-V267 HydrophobicContact CE2-CG2 4.44Å; F216-V267 HydrophobicContact CZ-CG1 4.42Å; F216-V267 HydrophobicContact CZ-CG2 4.23Å; L220-V267 HydrophobicContact CD1-CG2 3.65Å; L220-V267 HydrophobicContact CD2-CG2 3.98Å; L220-V267 HydrophobicContact CG-CG2 4.48Å; V263-V267 WeakPolarHBondContact O-CB 3.47Å; V263-V267 VanDerWaalsContact O-CG2 3.32Å; V263-V267 WeakPolarHBondContact O-CG2 3.46Å; V263-V267 PolarHBondContact O-N 3.24Å; A264-V267 PolarHBondContact O-N 3.23Å; L265-V267 VanDerWaalsContact C-N 3.32Å; L265-V267 PolarHBondContact O-N 3.35Å; V267-C269 VanDerWaalsContact C-N 3.33Å; V267-C269 PolarHBondContact O-N 3.21Å; V267-M271 HydrophobicContact CG1-CB 4.26Å; V267-M271 HydrophobicContact CG1-SD 4.28Å; V267-M271 WeakPolarHBondContact O-CB 3.34Å; V267-M271 PolarHBondContact O-N 2.78Å |
| 268 | L | 88.7 | Confident | 83.5 | Confident | 126 Ų | 126 | 35.8 Ų | 35.8 | 66% | 0.66 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.4 | -35.7 | 179.2 | -70.5 | 167.2 | 0 | 0 | 0 | 112.8 | A264 L265 P272 | A264-L268 WeakPolarHBondContact O-CB 3.48Å; A264-L268 VanDerWaalsContact O-CG 3.25Å; A264-L268 WeakPolarHBondContact O-CG 3.34Å; A264-L268 PolarHBondContact O-N 3.21Å; L265-L268 PolarHBondContact O-N 3.14Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L268-P272 WeakPolarHBondContact O-CD 3.45Å |
| 269 | C | 88.6 | Confident | 84.4 | Confident | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.4 | -42.9 | 177.2 | -77.1 | 0 | 0 | 0 | 0 | 113.3 | L265 F266 V267 L301 P302 N305 | L265-C269 WeakPolarHBondContact O-CB 3.28Å; L265-C269 PolarHBondContact O-N 3.2Å; F266-C269 PolarHBondContact O-N 2.88Å; V267-C269 VanDerWaalsContact C-N 3.33Å; V267-C269 PolarHBondContact O-N 3.21Å; C269-L301 WeakPolarHBondContact CB-O 3.48Å; C269-L301 CarbonylContact O-C 3.45Å; C269-L301 WeakPolarHBondContact O-CB 3.42Å; C269-L301 PolarHBondContact SG-O 2.98Å; C269-P302 WeakPolarHBondContact O-CD 3.47Å; C269-N305 HydrophobicContact CB-CB 3.89Å |
| 270 | W | 90.2 | Very high | 85.2 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 6% | 0.057 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -100.6 | -27.8 | -169.7 | -72.9 | 94.5 | 0 | 0 | 0 | 115 | Q128 F216 F266 F273 Y274 P302 | Q128-W270 HydrophobicContact CB-CH2 3.81Å; Q128-W270 HydrophobicContact CB-CZ2 4.18Å; Q128-W270 HydrophobicContact CG-CH2 3.54Å; Q128-W270 HydrophobicContact CG-CZ2 4.04Å; Q128-W270 HydrophobicContact CG-CZ3 3.95Å; F216-W270 HydrophobicContact CD2-CB 3.76Å; F216-W270 HydrophobicContact CE2-CB 3.85Å; F266-W270 AromaticContact CD2-CD1 3.36Å; F266-W270 HydrophobicContact CD2-CG 4.31Å; F266-W270 AromaticContact CD2-NE1 3.73Å; F266-W270 HydrophobicContact CE1-CB 4.33Å; F266-W270 HydrophobicContact CE1-CG 4.44Å; F266-W270 AromaticContact CE2-CD1 3.19Å; F266-W270 HydrophobicContact CE2-CD2 4.41Å; F266-W270 AromaticContact CE2-CG 3.84Å; F266-W270 HydrophobicContact CE2-CG 3.84Å; F266-W270 AromaticContact CE2-NE1 3.4Å; F266-W270 AromaticContact CG-CD1 3.99Å; F266-W270 HydrophobicContact CZ-CB 4.21Å; F266-W270 AromaticContact CZ-CD1 3.69Å; F266-W270 AromaticContact CZ-CG 3.89Å; F266-W270 HydrophobicContact CZ-CG 3.89Å; F266-W270 WeakPolarHBondContact O-CB 3.43Å; F266-W270 PolarHBondContact O-N 3.34Å; W270-F273 HydrophobicContact CE3-CD1 4.26Å; W270-F273 HydrophobicContact CZ3-CD1 4.33Å; W270-F273 PolarHBondContact O-N 3.48Å; W270-Y274 HydrophobicContact CB-CD2 4.18Å; W270-Y274 HydrophobicContact CB-CE2 4.12Å; W270-Y274 HydrophobicContact CD2-CE2 4.31Å; W270-Y274 HydrophobicContact CE3-CD2 4.38Å; W270-Y274 AromaticContact CE3-CE2 3.66Å; W270-Y274 HydrophobicContact CE3-CE2 3.66Å; W270-Y274 HydrophobicContact CZ3-CE2 4.47Å; W270-Y274 VanDerWaalsContact O-CD2 3.26Å; W270-Y274 WeakPolarHBondContact O-CD2 3.17Å; W270-Y274 PolarHBondContact O-N 2.9Å; W270-Y274 VanDerWaalsContact O-N 3.13Å; W270-P302 HydrophobicContact CD2-CB 4.03Å; W270-P302 HydrophobicContact CD2-CG 4.32Å; W270-P302 HydrophobicContact CE3-CB 3.89Å; W270-P302 HydrophobicContact CE3-CG 3.96Å; W270-P302 HydrophobicContact CH2-CB 3.71Å; W270-P302 HydrophobicContact CZ2-CB 3.86Å; W270-P302 HydrophobicContact CZ3-CB 3.7Å; W270-P302 HydrophobicContact CZ3-CG 4.07Å |
| 271 | M | 90.3 | Very high | 85.6 | Confident | 94 Ų | 94 | 39.7 Ų | 39.7 | 46% | 0.463 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.2 | -45.4 | 180 | -174.7 | 178.5 | 169.5 | 0 | 0 | 112.7 | F216 V267 F273 Y274 V275 | F216-M271 HydrophobicContact CE1-CB 4.41Å; F216-M271 HydrophobicContact CE2-CB 4.23Å; F216-M271 HydrophobicContact CZ-CB 3.69Å; F216-M271 HydrophobicContact CZ-CG 4.22Å; V267-M271 HydrophobicContact CG1-CB 4.26Å; V267-M271 HydrophobicContact CG1-SD 4.28Å; V267-M271 WeakPolarHBondContact O-CB 3.34Å; V267-M271 PolarHBondContact O-N 2.78Å; M271-F273 VanDerWaalsContact C-N 3.3Å; M271-F273 PolarHBondContact O-N 3.12Å; M271-Y274 PolarHBondContact O-N 3.4Å; M271-V275 HydrophobicContact CE-CG2 4.15Å; M271-V275 HydrophobicContact CG-CG2 3.89Å; M271-V275 WeakPolarHBondContact O-CB 3.3Å; M271-V275 VanDerWaalsContact O-CG2 3.25Å; M271-V275 WeakPolarHBondContact O-CG2 3.33Å; M271-V275 PolarHBondContact O-N 3.5Å |
| 272 | P | 91.4 | Very high | 85.8 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.4 | -40.4 | -179.5 | -23.3 | 36.2 | 0 | 0 | 0 | 112 | L268 L276 V298 L301 | L268-P272 WeakPolarHBondContact O-CD 3.45Å; P272-L276 VanDerWaalsContact O-CB 3.25Å; P272-L276 WeakPolarHBondContact O-CB 3.47Å; P272-L276 PolarHBondContact O-N 3.48Å; P272-V298 VanDerWaalsContact C-CG1 3.49Å; P272-V298 HydrophobicContact CB-CG1 4.12Å; P272-V298 HydrophobicContact CB-CG2 4.02Å; P272-V298 WeakPolarHBondContact O-CG1 3.35Å; P272-L301 HydrophobicContact CB-CD1 4.36Å; P272-L301 HydrophobicContact CG-CD1 4.07Å |
| 273 | F | 90.3 | Very high | 86.2 | Confident | 46 Ų | 46 | 46.9 Ų | 46.9 | 20% | 0.202 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -50.2 | 179.1 | 176.6 | -93.4 | 0 | 0 | 0 | 112 | W270 M271 N277 V298 V299 P302 | W270-F273 HydrophobicContact CE3-CD1 4.26Å; W270-F273 HydrophobicContact CZ3-CD1 4.33Å; W270-F273 PolarHBondContact O-N 3.48Å; M271-F273 VanDerWaalsContact C-N 3.3Å; M271-F273 PolarHBondContact O-N 3.12Å; F273-N277 WeakPolarHBondContact O-CB 3.32Å; F273-N277 PolarHBondContact O-N 3.14Å; F273-N277 PolarHBondContact O-ND2 3.49Å; F273-V298 HydrophobicContact CB-CG1 4.39Å; F273-V299 HydrophobicContact CD2-CG2 4.37Å; F273-V299 HydrophobicContact CE2-CG2 4.38Å; F273-P302 HydrophobicContact CB-CG 3.69Å; F273-P302 HydrophobicContact CD2-CG 4.06Å; F273-P302 HydrophobicContact CG-CG 3.89Å |
| 274 | Y | 90.1 | Very high | 86.1 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.3 | -40.7 | -180 | -73.4 | -66.9 | 0 | 0 | 0 | 112.6 | Q128 T211 A212 F216 W270 M271 N277 I278 | Q128-Y274 PolarHBondContact NE2-OH 3.36Å; T211-Y274 PolarHBondContact O-OH 2.81Å; A212-Y274 VanDerWaalsContact CA-CE1 3.46Å; A212-Y274 HydrophobicContact CB-CD1 3.57Å; A212-Y274 HydrophobicContact CB-CE1 3.99Å; A212-Y274 HydrophobicContact CB-CG 4.22Å; F216-Y274 HydrophobicContact CB-CD2 3.6Å; F216-Y274 HydrophobicContact CB-CE2 3.52Å; F216-Y274 HydrophobicContact CB-CG 4.3Å; F216-Y274 AromaticContact CD2-CD2 3.85Å; F216-Y274 HydrophobicContact CD2-CD2 3.85Å; F216-Y274 HydrophobicContact CD2-CE2 4.04Å; F216-Y274 AromaticContact CG-CD2 3.76Å; F216-Y274 HydrophobicContact CG-CD2 3.76Å; F216-Y274 HydrophobicContact CG-CE2 4.06Å; W270-Y274 HydrophobicContact CB-CD2 4.18Å; W270-Y274 HydrophobicContact CB-CE2 4.12Å; W270-Y274 HydrophobicContact CD2-CE2 4.31Å; W270-Y274 HydrophobicContact CE3-CD2 4.38Å; W270-Y274 AromaticContact CE3-CE2 3.66Å; W270-Y274 HydrophobicContact CE3-CE2 3.66Å; W270-Y274 HydrophobicContact CZ3-CE2 4.47Å; W270-Y274 VanDerWaalsContact O-CD2 3.26Å; W270-Y274 WeakPolarHBondContact O-CD2 3.17Å; W270-Y274 PolarHBondContact O-N 2.9Å; W270-Y274 VanDerWaalsContact O-N 3.13Å; M271-Y274 PolarHBondContact O-N 3.4Å; Y274-N277 PolarHBondContact O-N 3.46Å; Y274-I278 WeakPolarHBondContact O-CB 3.46Å; Y274-I278 WeakPolarHBondContact O-CD1 3.4Å; Y274-I278 VanDerWaalsContact O-CG1 3.27Å; Y274-I278 WeakPolarHBondContact O-CG1 3.39Å; Y274-I278 PolarHBondContact O-N 2.9Å |
| 275 | V | 89.8 | Confident | 85.5 | Confident | 61 Ų | 61 | 51.4 Ų | 51.4 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 176.4 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | M271 I278 V279 | M271-V275 HydrophobicContact CE-CG2 4.15Å; M271-V275 HydrophobicContact CG-CG2 3.89Å; M271-V275 WeakPolarHBondContact O-CB 3.3Å; M271-V275 VanDerWaalsContact O-CG2 3.25Å; M271-V275 WeakPolarHBondContact O-CG2 3.33Å; M271-V275 PolarHBondContact O-N 3.5Å; V275-I278 PolarHBondContact O-N 3.19Å; V275-V279 HydrophobicContact CG1-CG2 4.31Å; V275-V279 WeakPolarHBondContact O-CB 3.02Å; V275-V279 VanDerWaalsContact O-CG2 3.28Å; V275-V279 WeakPolarHBondContact O-CG2 3.45Å; V275-V279 PolarHBondContact O-N 2.87Å |
| 276 | L | 88.2 | Confident | 84.8 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.1 | -40.6 | -179.8 | -171.8 | 147.5 | 0 | 0 | 0 | 112.2 | P272 V279 N280 L285 Y295 V298 | P272-L276 VanDerWaalsContact O-CB 3.25Å; P272-L276 WeakPolarHBondContact O-CB 3.47Å; P272-L276 PolarHBondContact O-N 3.48Å; L276-V279 PolarHBondContact O-N 3.3Å; L276-N280 WeakPolarHBondContact O-CB 3.42Å; L276-N280 PolarHBondContact O-N 3.25Å; L276-L285 HydrophobicContact CD1-CD1 4.48Å; L276-L285 HydrophobicContact CD2-CD1 4.22Å; L276-L285 HydrophobicContact CG-CD1 4.08Å; L276-Y295 HydrophobicContact CD1-CD2 4.45Å; L276-Y295 HydrophobicContact CD2-CD2 3.5Å; L276-Y295 HydrophobicContact CD2-CE2 3.61Å; L276-V298 HydrophobicContact CB-CG1 3.98Å; L276-V298 HydrophobicContact CD1-CB 4.34Å; L276-V298 HydrophobicContact CD1-CG1 4.13Å; L276-V298 HydrophobicContact CD1-CG2 4.24Å |
| 277 | N | 86.4 | Confident | 84 | Confident | 16 Ų | 16 | 63 Ų | 63 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.1 | -37 | 176.1 | -84.1 | -83.6 | 0 | 0 | 0 | 112.7 | I208 F273 Y274 V281 | I208-N277 HydrophobicContact CD1-CB 4.3Å; I208-N277 HydrophobicContact CG2-CB 3.98Å; F273-N277 WeakPolarHBondContact O-CB 3.32Å; F273-N277 PolarHBondContact O-N 3.14Å; F273-N277 PolarHBondContact O-ND2 3.49Å; Y274-N277 PolarHBondContact O-N 3.46Å; N277-V281 WeakPolarHBondContact O-CG2 3.3Å; N277-V281 PolarHBondContact O-N 3.39Å |
| 278 | I | 87.9 | Confident | 83.2 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 28% | 0.277 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.7 | -43.9 | 174.6 | -70.9 | 162.8 | 0 | 0 | 0 | 110.7 | I208 A212 F217 Y274 V275 N280 V281 V282 | I208-I278 HydrophobicContact CG2-CG1 3.93Å; A212-I278 HydrophobicContact CB-CD1 3.97Å; F217-I278 HydrophobicContact CE2-CD1 4.01Å; Y274-I278 WeakPolarHBondContact O-CB 3.46Å; Y274-I278 WeakPolarHBondContact O-CD1 3.4Å; Y274-I278 VanDerWaalsContact O-CG1 3.27Å; Y274-I278 WeakPolarHBondContact O-CG1 3.39Å; Y274-I278 PolarHBondContact O-N 2.9Å; V275-I278 PolarHBondContact O-N 3.19Å; I278-N280 VanDerWaalsContact C-N 3.33Å; I278-N280 PolarHBondContact O-N 2.93Å; I278-V281 WeakPolarHBondContact O-CB 3.37Å; I278-V281 PolarHBondContact O-N 3.21Å; I278-V281 VanDerWaalsContact O-N 3.11Å; I278-V282 PolarHBondContact O-N 3.34Å |
| 279 | V | 86.9 | Confident | 82.1 | Confident | 62 Ų | 62 | 65 Ų | 65 | 38% | 0.376 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 175.4 | 167.5 | 0 | 0 | 0 | 0 | 110.2 | V275 L276 V281 V282 C283 L285 | V275-V279 HydrophobicContact CG1-CG2 4.31Å; V275-V279 WeakPolarHBondContact O-CB 3.02Å; V275-V279 VanDerWaalsContact O-CG2 3.28Å; V275-V279 WeakPolarHBondContact O-CG2 3.45Å; V275-V279 PolarHBondContact O-N 2.87Å; L276-V279 PolarHBondContact O-N 3.3Å; V279-V281 PolarHBondContact O-N 3.18Å; V279-V281 VanDerWaalsContact O-N 3.11Å; V279-V282 PolarHBondContact O-N 3.12Å; V279-C283 CarbonylContact O-C 3.56Å; V279-C283 PolarHBondContact O-N 3.15Å; V279-L285 HydrophobicContact CG1-CD2 3.97Å |
| 280 | N | 83.4 | Confident | 81.1 | Confident | 58 Ų | 58 | 68.7 Ų | 68.7 | 31% | 0.31 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.2 | -10.5 | 179.9 | -163.5 | 51.4 | 0 | 0 | 0 | 114.6 | L276 I278 L285 | L276-N280 WeakPolarHBondContact O-CB 3.42Å; L276-N280 PolarHBondContact O-N 3.25Å; I278-N280 VanDerWaalsContact C-N 3.33Å; I278-N280 PolarHBondContact O-N 2.93Å; N280-L285 HydrophobicContact CB-CD1 4.14Å; N280-L285 HydrophobicContact CB-CG 4.34Å; N280-L285 PolarHBondContact OD1-N 3.3Å |
| 281 | V | 81.8 | Confident | 80.3 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 33% | 0.333 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -88.3 | -31.7 | 170.5 | 164.4 | 0 | 0 | 0 | 0 | 111.9 | A205 I208 N277 I278 V279 | A205-V281 HydrophobicContact CB-CG1 3.54Å; A205-V281 HydrophobicContact CB-CG2 4.44Å; I208-V281 HydrophobicContact CD1-CG2 3.59Å; I208-V281 HydrophobicContact CG2-CG2 4.48Å; N277-V281 WeakPolarHBondContact O-CG2 3.3Å; N277-V281 PolarHBondContact O-N 3.39Å; I278-V281 WeakPolarHBondContact O-CB 3.37Å; I278-V281 PolarHBondContact O-N 3.21Å; I278-V281 VanDerWaalsContact O-N 3.11Å; V279-V281 PolarHBondContact O-N 3.18Å; V279-V281 VanDerWaalsContact O-N 3.11Å |
| 282 | V | 82.5 | Confident | 79.4 | Confident | 111 Ų | 111 | 70.9 Ų | 70.9 | 67% | 0.673 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -90.4 | -40.3 | -178.5 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | I278 V279 | I278-V282 PolarHBondContact O-N 3.34Å; V279-V282 PolarHBondContact O-N 3.12Å |
| 283 | C | 80.6 | Confident | 78.5 | Confident | 77 Ų | 77 | 70.7 Ų | 70.7 | 52% | 0.52 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -133.4 | 103.5 | 178.7 | -63.1 | 0 | 0 | 0 | 0 | 108.1 | V279 L285 | V279-C283 CarbonylContact O-C 3.56Å; V279-C283 PolarHBondContact O-N 3.15Å; C283-L285 PolarHBondContact O-N 2.93Å |
| 284 | P | 75.3 | Confident | 77.9 | Confident | 114 Ų | 114 | 72.6 Ų | 72.6 | 74% | 0.74 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 124.5 | 174 | -26.3 | 35.4 | 0 | 0 | 0 | 110.6 | ||
| 285 | L | 69.8 | Low | 77.4 | Confident | 45 Ų | 45 | 76.9 Ų | 76.9 | 24% | 0.236 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 142.4 | -176.4 | -67.8 | 171.5 | 0 | 0 | 0 | 110.7 | L276 V279 N280 C283 F291 | L276-L285 HydrophobicContact CD1-CD1 4.48Å; L276-L285 HydrophobicContact CD2-CD1 4.22Å; L276-L285 HydrophobicContact CG-CD1 4.08Å; V279-L285 HydrophobicContact CG1-CD2 3.97Å; N280-L285 HydrophobicContact CB-CD1 4.14Å; N280-L285 HydrophobicContact CB-CG 4.34Å; N280-L285 PolarHBondContact OD1-N 3.3Å; C283-L285 PolarHBondContact O-N 2.93Å; L285-F291 HydrophobicContact CD1-CD1 4.32Å; L285-F291 HydrophobicContact CD1-CE1 3.99Å; L285-F291 HydrophobicContact CD2-CE1 3.91Å; L285-F291 HydrophobicContact CD2-CZ 4.12Å; L285-F291 HydrophobicContact CG-CE1 4.37Å |
| 286 | P | 69.6 | Low | 76.8 | Confident | 79 Ų | 79 | 75 Ų | 75 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 138.6 | 174.5 | -23.5 | 34.2 | 0 | 0 | 0 | 112 | E288 | P286-E288 HydrophobicContact CB-CG 4Å; P286-E288 PolarHBondContact O-N 3.48Å |
| 287 | E | 64.6 | Low | 76.4 | Confident | 204 Ų | 204 | 78.8 Ų | 78.8 | 95% | 0.953 | 44% | 0.444 | S | S | * | . | trans | -76.5 | 40.5 | 177.9 | -59.5 | -164.3 | 149.3 | 0 | 0 | 112.9 | ||||
| 288 | E | 71.8 | Confident | 76.3 | Confident | 114 Ų | 114 | 78.6 Ų | 78.6 | 53% | 0.533 | 44% | 0.444 | S | S | . | . | trans | -73.2 | 138.7 | -178.5 | -77.3 | -64.6 | 160.7 | 0 | 0 | 111.9 | P286 A290 F291 F292 | P286-E288 HydrophobicContact CB-CG 4Å; P286-E288 PolarHBondContact O-N 3.48Å; E288-A290 PolarHBondContact O-N 3.34Å; E288-F291 HydrophobicContact CB-CD2 4.5Å; E288-F291 WeakPolarHBondContact O-CA 3.29Å; E288-F291 WeakPolarHBondContact O-CB 3.4Å; E288-F291 PolarHBondContact O-N 3.26Å; E288-F292 PolarHBondContact O-N 2.97Å | ||
| 289 | P | 65.5 | Low | 76.1 | Confident | 90 Ų | 90 | 77 Ų | 77 | 58% | 0.584 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.8 | -28.7 | 179.6 | -27.2 | 35.7 | 0 | 0 | 0 | 114.2 | F292 | P289-F292 PolarHBondContact O-N 3.27Å |
| 290 | A | 67.3 | Low | 75.8 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 70% | 0.702 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -69 | -33.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E288 F292 | E288-A290 PolarHBondContact O-N 3.34Å; A290-F292 VanDerWaalsContact C-N 3.33Å |
| 291 | F | 72.9 | Confident | 75.9 | Confident | 73 Ų | 73 | 74.6 Ų | 74.6 | 32% | 0.32 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.7 | -30.2 | 176.6 | -106.8 | -85.3 | 0 | 0 | 0 | 112.1 | L285 E288 G293 L294 Y295 | L285-F291 HydrophobicContact CD1-CD1 4.32Å; L285-F291 HydrophobicContact CD1-CE1 3.99Å; L285-F291 HydrophobicContact CD2-CE1 3.91Å; L285-F291 HydrophobicContact CD2-CZ 4.12Å; L285-F291 HydrophobicContact CG-CE1 4.37Å; E288-F291 HydrophobicContact CB-CD2 4.5Å; E288-F291 WeakPolarHBondContact O-CA 3.29Å; E288-F291 WeakPolarHBondContact O-CB 3.4Å; E288-F291 PolarHBondContact O-N 3.26Å; F291-G293 PolarHBondContact O-N 3.03Å; F291-L294 HydrophobicContact CE1-CD2 4.39Å; F291-L294 PolarHBondContact O-N 3.23Å; F291-Y295 VanDerWaalsContact O-CB 3.3Å; F291-Y295 WeakPolarHBondContact O-CB 3.43Å; F291-Y295 PolarHBondContact O-N 3.43Å |
| 292 | F | 71.4 | Confident | 76.2 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 36% | 0.355 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 179.1 | -169.3 | -103.1 | 0 | 0 | 0 | 112.9 | V43 E288 P289 A290 Y295 F296 | V43-F292 HydrophobicContact CB-CD1 4.45Å; V43-F292 HydrophobicContact CB-CE1 4.1Å; V43-F292 HydrophobicContact CG1-CD1 4.12Å; V43-F292 HydrophobicContact CG1-CE1 3.77Å; E288-F292 PolarHBondContact O-N 2.97Å; P289-F292 PolarHBondContact O-N 3.27Å; A290-F292 VanDerWaalsContact C-N 3.33Å; F292-Y295 PolarHBondContact O-N 3.14Å; F292-F296 PolarHBondContact O-N 3.47Å |
| 293 | G | 72.7 | Confident | 76.3 | Confident | 38 Ų | 38 | 68.4 Ų | 68.4 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F291 L297 | F291-G293 PolarHBondContact O-N 3.03Å; G293-L297 PolarHBondContact O-N 3.39Å; G293-L297 VanDerWaalsContact O-N 3.12Å |
| 294 | L | 77.8 | Confident | 76.4 | Confident | 87 Ų | 87 | 66.6 Ų | 66.6 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 174.8 | 178.5 | 60.7 | 0 | 0 | 0 | 111.5 | F291 F296 L297 V298 | F291-L294 HydrophobicContact CE1-CD2 4.39Å; F291-L294 PolarHBondContact O-N 3.23Å; L294-F296 PolarHBondContact O-N 2.93Å; L294-L297 PolarHBondContact O-N 2.76Å; L294-V298 HydrophobicContact CD1-CG2 4.26Å; L294-V298 WeakPolarHBondContact O-CB 3.28Å; L294-V298 VanDerWaalsContact O-CG2 3.3Å; L294-V298 WeakPolarHBondContact O-CG2 3.21Å; L294-V298 PolarHBondContact O-N 3.01Å |
| 295 | Y | 78.6 | Confident | 76.8 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 176.3 | -175.4 | -93 | 0 | 0 | 0 | 111.4 | L276 F291 F292 L297 V298 V299 | L276-Y295 HydrophobicContact CD1-CD2 4.45Å; L276-Y295 HydrophobicContact CD2-CD2 3.5Å; L276-Y295 HydrophobicContact CD2-CE2 3.61Å; F291-Y295 VanDerWaalsContact O-CB 3.3Å; F291-Y295 WeakPolarHBondContact O-CB 3.43Å; F291-Y295 PolarHBondContact O-N 3.43Å; F292-Y295 PolarHBondContact O-N 3.14Å; Y295-L297 PolarHBondContact O-N 3.32Å; Y295-V298 PolarHBondContact O-N 3.45Å; Y295-V299 HydrophobicContact CD1-CG2 4.12Å; Y295-V299 HydrophobicContact CE1-CG2 3.7Å; Y295-V299 HydrophobicContact CE2-CG2 4.46Å; Y295-V299 WeakPolarHBondContact O-CG2 3.49Å; Y295-V299 PolarHBondContact O-N 2.8Å |
| 296 | F | 77.4 | Confident | 77.5 | Confident | 21 Ų | 21 | 59.3 Ų | 59.3 | 9% | 0.092 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 176 | 169.2 | -124 | 0 | 0 | 0 | 112.3 | V43 L47 I48 V51 F292 L294 V298 V299 A300 | V43-F296 HydrophobicContact CG1-CD1 4.19Å; L47-F296 HydrophobicContact CD2-CD1 4.39Å; L47-F296 HydrophobicContact CD2-CE1 3.86Å; L47-F296 HydrophobicContact CG-CE1 3.91Å; L47-F296 HydrophobicContact CG-CZ 4.47Å; I48-F296 HydrophobicContact CB-CD2 4.4Å; I48-F296 HydrophobicContact CB-CE2 3.96Å; I48-F296 HydrophobicContact CB-CZ 4.41Å; I48-F296 HydrophobicContact CD1-CD2 3.74Å; I48-F296 HydrophobicContact CD1-CE2 4.2Å; I48-F296 HydrophobicContact CD1-CG 4.26Å; I48-F296 HydrophobicContact CG1-CD2 3.57Å; I48-F296 HydrophobicContact CG1-CE2 3.57Å; I48-F296 HydrophobicContact CG1-CG 4.09Å; I48-F296 HydrophobicContact CG1-CZ 4.05Å; I48-F296 HydrophobicContact CG2-CD2 4.34Å; I48-F296 HydrophobicContact CG2-CE2 3.88Å; V51-F296 HydrophobicContact CB-CZ 4.09Å; V51-F296 HydrophobicContact CG1-CZ 4.34Å; V51-F296 HydrophobicContact CG2-CZ 3.98Å; F292-F296 PolarHBondContact O-N 3.47Å; L294-F296 PolarHBondContact O-N 2.93Å; F296-V298 VanDerWaalsContact C-N 3.28Å; F296-V298 PolarHBondContact O-N 3.46Å; F296-V299 PolarHBondContact O-N 3.14Å; F296-V299 VanDerWaalsContact O-N 3.15Å; F296-A300 HydrophobicContact CE2-CB 4.08Å; F296-A300 HydrophobicContact CZ-CB 4.38Å; F296-A300 WeakPolarHBondContact O-CB 3.44Å; F296-A300 PolarHBondContact O-N 2.84Å |
| 297 | L | 79.6 | Confident | 77.9 | Confident | 100 Ų | 100 | 56.4 Ų | 56.4 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 177 | 180 | 64.1 | 0 | 0 | 0 | 111.6 | G293 L294 Y295 V299 A300 L301 | G293-L297 PolarHBondContact O-N 3.39Å; G293-L297 VanDerWaalsContact O-N 3.12Å; L294-L297 PolarHBondContact O-N 2.76Å; Y295-L297 PolarHBondContact O-N 3.32Å; L297-V299 VanDerWaalsContact C-N 3.35Å; L297-V299 PolarHBondContact O-N 3.18Å; L297-A300 PolarHBondContact O-N 3.4Å; L297-L301 WeakPolarHBondContact O-CG 3.45Å; L297-L301 PolarHBondContact O-N 2.89Å; L297-L301 VanDerWaalsContact O-N 3.12Å |
| 298 | V | 85.4 | Confident | 78.5 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.3 | -34.2 | 178.2 | 166.4 | 0 | 0 | 0 | 0 | 112.7 | P272 F273 L276 L294 Y295 F296 P302 | P272-V298 VanDerWaalsContact C-CG1 3.49Å; P272-V298 HydrophobicContact CB-CG1 4.12Å; P272-V298 HydrophobicContact CB-CG2 4.02Å; P272-V298 WeakPolarHBondContact O-CG1 3.35Å; F273-V298 HydrophobicContact CB-CG1 4.39Å; L276-V298 HydrophobicContact CB-CG1 3.98Å; L276-V298 HydrophobicContact CD1-CB 4.34Å; L276-V298 HydrophobicContact CD1-CG1 4.13Å; L276-V298 HydrophobicContact CD1-CG2 4.24Å; L294-V298 HydrophobicContact CD1-CG2 4.26Å; L294-V298 WeakPolarHBondContact O-CB 3.28Å; L294-V298 VanDerWaalsContact O-CG2 3.3Å; L294-V298 WeakPolarHBondContact O-CG2 3.21Å; L294-V298 PolarHBondContact O-N 3.01Å; Y295-V298 PolarHBondContact O-N 3.45Å; F296-V298 VanDerWaalsContact C-N 3.28Å; F296-V298 PolarHBondContact O-N 3.46Å; V298-P302 WeakPolarHBondContact O-CD 3.22Å |
| 299 | V | 82.4 | Confident | 78.7 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 12% | 0.121 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -78.2 | -28.6 | 174.8 | 171.6 | 0 | 0 | 0 | 0 | 112.5 | F273 Y295 F296 L297 P302 Y303 | F273-V299 HydrophobicContact CD2-CG2 4.37Å; F273-V299 HydrophobicContact CE2-CG2 4.38Å; Y295-V299 HydrophobicContact CD1-CG2 4.12Å; Y295-V299 HydrophobicContact CE1-CG2 3.7Å; Y295-V299 HydrophobicContact CE2-CG2 4.46Å; Y295-V299 WeakPolarHBondContact O-CG2 3.49Å; Y295-V299 PolarHBondContact O-N 2.8Å; F296-V299 PolarHBondContact O-N 3.14Å; F296-V299 VanDerWaalsContact O-N 3.15Å; L297-V299 VanDerWaalsContact C-N 3.35Å; L297-V299 PolarHBondContact O-N 3.18Å; V299-P302 WeakPolarHBondContact O-CD 3.35Å; V299-Y303 HydrophobicContact CG1-CE2 4.22Å; V299-Y303 WeakPolarHBondContact O-CD2 3.43Å; V299-Y303 WeakPolarHBondContact O-CE2 3.3Å |
| 300 | A | 82.4 | Confident | 79.1 | Confident | 17 Ų | 17 | 39 Ų | 39 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -76.4 | -29.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F296 L297 Y303 A304 | F296-A300 HydrophobicContact CE2-CB 4.08Å; F296-A300 HydrophobicContact CZ-CB 4.38Å; F296-A300 WeakPolarHBondContact O-CB 3.44Å; F296-A300 PolarHBondContact O-N 2.84Å; L297-A300 PolarHBondContact O-N 3.4Å; A300-Y303 PolarHBondContact O-N 3Å; A300-A304 PolarHBondContact O-N 2.94Å |
| 301 | L | 85.4 | Confident | 79.2 | Confident | 53 Ų | 53 | 39.4 Ų | 39.4 | 28% | 0.277 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.6 | -42.5 | -177.6 | -83.7 | 171 | 0 | 0 | 0 | 114.8 | C269 P272 L297 Y303 A304 | C269-L301 WeakPolarHBondContact CB-O 3.48Å; C269-L301 CarbonylContact O-C 3.45Å; C269-L301 WeakPolarHBondContact O-CB 3.42Å; C269-L301 PolarHBondContact SG-O 2.98Å; P272-L301 HydrophobicContact CB-CD1 4.36Å; P272-L301 HydrophobicContact CG-CD1 4.07Å; L297-L301 WeakPolarHBondContact O-CG 3.45Å; L297-L301 PolarHBondContact O-N 2.89Å; L297-L301 VanDerWaalsContact O-N 3.12Å; L301-Y303 VanDerWaalsContact C-N 3.33Å; L301-Y303 PolarHBondContact O-N 3.36Å; L301-A304 WeakPolarHBondContact O-CB 3.22Å; L301-A304 PolarHBondContact O-N 3.01Å |
| 302 | P | 86.8 | Confident | 78.9 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -52.6 | -44 | 170.7 | -33.1 | 37.6 | 0 | 0 | 0 | 114.4 | C269 W270 F273 V298 V299 A304 N305 | C269-P302 WeakPolarHBondContact O-CD 3.47Å; W270-P302 HydrophobicContact CD2-CB 4.03Å; W270-P302 HydrophobicContact CD2-CG 4.32Å; W270-P302 HydrophobicContact CE3-CB 3.89Å; W270-P302 HydrophobicContact CE3-CG 3.96Å; W270-P302 HydrophobicContact CH2-CB 3.71Å; W270-P302 HydrophobicContact CZ2-CB 3.86Å; W270-P302 HydrophobicContact CZ3-CB 3.7Å; W270-P302 HydrophobicContact CZ3-CG 4.07Å; F273-P302 HydrophobicContact CB-CG 3.69Å; F273-P302 HydrophobicContact CD2-CG 4.06Å; F273-P302 HydrophobicContact CG-CG 3.89Å; V298-P302 WeakPolarHBondContact O-CD 3.22Å; V299-P302 WeakPolarHBondContact O-CD 3.35Å; P302-A304 VanDerWaalsContact C-N 3.31Å; P302-A304 PolarHBondContact O-N 2.96Å; P302-N305 WeakPolarHBondContact O-CB 3.34Å; P302-N305 PolarHBondContact O-N 3.33Å |
| 303 | Y | 85 | Confident | 78.6 | Confident | 32 Ų | 32 | 33 Ų | 33 | 13% | 0.125 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.8 | -27.8 | -178 | -50.1 | -44.5 | 0 | 0 | 0 | 112.6 | Y52 F94 V299 A300 L301 N305 S306 | Y52-Y303 HydrophobicContact CD1-CD2 4.25Å; Y52-Y303 HydrophobicContact CD1-CE2 4.47Å; Y52-Y303 AromaticContact CE1-CD2 3.65Å; Y52-Y303 HydrophobicContact CE1-CD2 3.65Å; Y52-Y303 AromaticContact CE1-CE2 3.55Å; Y52-Y303 HydrophobicContact CE1-CE2 3.55Å; Y52-Y303 AromaticContact CZ-CE2 3.77Å; F94-Y303 HydrophobicContact CE1-CD1 4.38Å; F94-Y303 AromaticContact CE2-CD1 3.75Å; F94-Y303 HydrophobicContact CE2-CD1 3.75Å; F94-Y303 AromaticContact CE2-CE1 3.97Å; F94-Y303 HydrophobicContact CE2-CE1 3.97Å; F94-Y303 AromaticContact CZ-CD1 3.32Å; F94-Y303 HydrophobicContact CZ-CD1 3.32Å; F94-Y303 HydrophobicContact CZ-CE1 4.02Å; F94-Y303 AromaticContact CZ-CG 3.92Å; F94-Y303 HydrophobicContact CZ-CG 3.92Å; V299-Y303 HydrophobicContact CG1-CE2 4.22Å; V299-Y303 WeakPolarHBondContact O-CD2 3.43Å; V299-Y303 WeakPolarHBondContact O-CE2 3.3Å; A300-Y303 PolarHBondContact O-N 3Å; L301-Y303 VanDerWaalsContact C-N 3.33Å; L301-Y303 PolarHBondContact O-N 3.36Å; Y303-N305 PolarHBondContact O-N 3.4Å; Y303-S306 PolarHBondContact O-N 3.37Å |
| 304 | A | 81.9 | Confident | 78.1 | Confident | 39 Ų | 39 | 32.1 Ų | 32.1 | 32% | 0.322 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.3 | -24.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A300 L301 P302 S306 C307 A308 | A300-A304 PolarHBondContact O-N 2.94Å; L301-A304 WeakPolarHBondContact O-CB 3.22Å; L301-A304 PolarHBondContact O-N 3.01Å; P302-A304 VanDerWaalsContact C-N 3.31Å; P302-A304 PolarHBondContact O-N 2.96Å; A304-S306 VanDerWaalsContact C-N 3.32Å; A304-S306 PolarHBondContact O-N 3.06Å; A304-C307 PolarHBondContact O-N 2.98Å; A304-A308 WeakPolarHBondContact O-CB 3.26Å; A304-A308 PolarHBondContact O-N 3.12Å |
| 305 | N | 84.8 | Confident | 77.2 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.3 | -45.9 | 175.7 | -177.2 | 81.7 | 0 | 0 | 0 | 111.6 | C269 P302 Y303 C307 A308 N309 | C269-N305 HydrophobicContact CB-CB 3.89Å; P302-N305 WeakPolarHBondContact O-CB 3.34Å; P302-N305 PolarHBondContact O-N 3.33Å; Y303-N305 PolarHBondContact O-N 3.4Å; N305-C307 VanDerWaalsContact C-N 3.33Å; N305-C307 PolarHBondContact O-N 3.5Å; N305-A308 PolarHBondContact O-N 3.41Å; N305-A308 VanDerWaalsContact O-N 3.13Å; N305-N309 PolarHBondContact O-N 3.42Å |
| 306 | S | 83.3 | Confident | 76.2 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.028 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.8 | -28.6 | -179.3 | -68.5 | 0 | 0 | 0 | 0 | 114 | N63 D91 N127 Y303 A304 | N63-S306 PolarHBondContact ND2-O 3.43Å; D91-S306 WeakPolarHBondContact OD1-CA 3.39Å; D91-S306 WeakPolarHBondContact OD1-CB 3.5Å; D91-S306 PolarHBondContact OD1-OG 2.88Å; N127-S306 PolarHBondContact ND2-OG 3.43Å; N127-S306 VanDerWaalsContact ND2-OG 3.17Å; Y303-S306 PolarHBondContact O-N 3.37Å; A304-S306 VanDerWaalsContact C-N 3.32Å; A304-S306 PolarHBondContact O-N 3.06Å |
| 307 | C | 79.6 | Confident | 75.4 | Confident | 17 Ų | 17 | 32.6 Ų | 32.6 | 12% | 0.115 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -80.1 | -27.9 | 171.5 | -72.5 | 0 | 0 | 0 | 0 | 113.1 | V55 V58 G59 M95 A304 N305 | V55-C307 PolarHBondContact O-SG 3.4Å; V58-C307 HydrophobicContact CG1-CB 4.38Å; G59-C307 VanDerWaalsContact CA-SG 3.59Å; M95-C307 VanDerWaalsContact CE-SG 3.57Å; A304-C307 PolarHBondContact O-N 2.98Å; N305-C307 VanDerWaalsContact C-N 3.33Å; N305-C307 PolarHBondContact O-N 3.5Å |
| 308 | A | 77.1 | Confident | 74.2 | Confident | 21 Ų | 21 | 34.4 Ų | 34.4 | 17% | 0.174 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -78.4 | -18.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L265 A304 N305 I311 L312 | L265-A308 HydrophobicContact CD1-CB 3.79Å; L265-A308 HydrophobicContact CD2-CB 3.52Å; L265-A308 HydrophobicContact CG-CB 4.25Å; A304-A308 WeakPolarHBondContact O-CB 3.26Å; A304-A308 PolarHBondContact O-N 3.12Å; N305-A308 PolarHBondContact O-N 3.41Å; N305-A308 VanDerWaalsContact O-N 3.13Å; A308-I311 WeakPolarHBondContact O-CB 3.28Å; A308-I311 PolarHBondContact O-N 3.32Å; A308-L312 VanDerWaalsContact O-CB 3.31Å; A308-L312 WeakPolarHBondContact O-CB 3.24Å; A308-L312 PolarHBondContact O-N 3.5Å |
| 309 | N | 76.2 | Confident | 72.8 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.011 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.5 | -55.1 | 177.2 | -74.7 | -30.8 | 0 | 0 | 0 | 113.3 | L87 D91 N305 I311 L312 Y313 | L87-N309 HydrophobicContact CD2-CB 4.23Å; L87-N309 WeakPolarHBondContact CD2-ND2 3.22Å; D91-N309 PolarHBondContact OD2-ND2 3.5Å; N305-N309 PolarHBondContact O-N 3.42Å; N309-I311 VanDerWaalsContact C-N 3.34Å; N309-I311 PolarHBondContact O-N 3.42Å; N309-L312 PolarHBondContact O-N 2.82Å; N309-Y313 HydrophobicContact CB-CE2 4.45Å; N309-Y313 VanDerWaalsContact O-CD2 3.24Å; N309-Y313 WeakPolarHBondContact O-CD2 3.49Å; N309-Y313 PolarHBondContact O-N 3.2Å; N309-Y313 VanDerWaalsContact O-N 3.1Å |
| 310 | P | 73.2 | Confident | 71.7 | Confident | 19 Ų | 19 | 42.3 Ų | 42.3 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.7 | -42.7 | 173.2 | -28.8 | 34.9 | 0 | 0 | 0 | 114.4 | N63 V66 Y313 G314 | N63-P310 HydrophobicContact CB-CG 4.5Å; N63-P310 WeakPolarHBondContact OD1-CG 3.42Å; V66-P310 HydrophobicContact CG2-CB 3.87Å; V66-P310 HydrophobicContact CG2-CG 4.1Å; P310-Y313 PolarHBondContact O-N 3.5Å; P310-G314 PolarHBondContact O-N 3.44Å |
| 311 | I | 68.4 | Low | 70.7 | Confident | 95 Ų | 95 | 45.8 Ų | 45.8 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60 | -50.9 | 179.3 | -64.6 | 176 | 0 | 0 | 0 | 109.5 | A308 N309 Y313 G314 F315 | A308-I311 WeakPolarHBondContact O-CB 3.28Å; A308-I311 PolarHBondContact O-N 3.32Å; N309-I311 VanDerWaalsContact C-N 3.34Å; N309-I311 PolarHBondContact O-N 3.42Å; I311-Y313 PolarHBondContact O-N 2.88Å; I311-G314 PolarHBondContact O-N 2.95Å; I311-F315 HydrophobicContact CG2-CD2 3.71Å; I311-F315 HydrophobicContact CG2-CE2 3.92Å; I311-F315 VanDerWaalsContact O-CD2 3.29Å; I311-F315 WeakPolarHBondContact O-CD2 3.44Å; I311-F315 PolarHBondContact O-N 3.29Å |
| 312 | L | 67.8 | Low | 69.5 | Low | 17 Ų | 17 | 46.6 Ų | 46.6 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | -176.2 | -164.1 | 158.5 | 0 | 0 | 0 | 111.4 | M258 A261 V262 L265 A308 N309 F315 L316 | M258-L312 HydrophobicContact CG-CD2 4.1Å; A261-L312 HydrophobicContact CB-CD1 4.47Å; V262-L312 HydrophobicContact CB-CD1 4.17Å; V262-L312 HydrophobicContact CG2-CD1 3.83Å; V262-L312 HydrophobicContact CG2-CD2 3.45Å; V262-L312 VanDerWaalsContact CG2-CD2 3.45Å; V262-L312 HydrophobicContact CG2-CG 4.29Å; L265-L312 HydrophobicContact CB-CD1 4.37Å; L265-L312 HydrophobicContact CD2-CD1 3.69Å; A308-L312 VanDerWaalsContact O-CB 3.31Å; A308-L312 WeakPolarHBondContact O-CB 3.24Å; A308-L312 PolarHBondContact O-N 3.5Å; N309-L312 PolarHBondContact O-N 2.82Å; L312-F315 PolarHBondContact O-N 3.46Å; L312-L316 HydrophobicContact CD2-CD1 3.47Å; L312-L316 VanDerWaalsContact CD2-CD1 3.47Å; L312-L316 HydrophobicContact CG-CD1 3.74Å; L312-L316 WeakPolarHBondContact O-CB 3.29Å; L312-L316 PolarHBondContact O-N 2.85Å |
| 313 | Y | 65.8 | Low | 68.2 | Low | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 173.3 | -60.7 | -35.3 | 0 | 0 | 0 | 112.6 | I84 L87 N309 P310 I311 F315 S317 | I84-Y313 HydrophobicContact CB-CE2 4.34Å; I84-Y313 HydrophobicContact CD1-CD1 4.36Å; I84-Y313 HydrophobicContact CD1-CE1 4.29Å; I84-Y313 HydrophobicContact CG1-CD2 4.49Å; I84-Y313 HydrophobicContact CG1-CE1 4.11Å; I84-Y313 HydrophobicContact CG1-CE2 3.97Å; I84-Y313 HydrophobicContact CG2-CD2 3.95Å; I84-Y313 HydrophobicContact CG2-CE2 3.75Å; L87-Y313 HydrophobicContact CD2-CE2 4.3Å; L87-Y313 WeakPolarHBondContact CD2-OH 3.33Å; N309-Y313 HydrophobicContact CB-CE2 4.45Å; N309-Y313 VanDerWaalsContact O-CD2 3.24Å; N309-Y313 WeakPolarHBondContact O-CD2 3.49Å; N309-Y313 PolarHBondContact O-N 3.2Å; N309-Y313 VanDerWaalsContact O-N 3.1Å; P310-Y313 PolarHBondContact O-N 3.5Å; I311-Y313 PolarHBondContact O-N 2.88Å; Y313-F315 PolarHBondContact O-N 2.9Å; Y313-S317 VanDerWaalsContact O-CB 3.29Å; Y313-S317 WeakPolarHBondContact O-CB 3.34Å; Y313-S317 PolarHBondContact O-N 2.83Å |
| 314 | G | 61.7 | Low | 67.2 | Low | 19 Ų | 19 | 49.7 Ų | 49.7 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P310 I311 K321 | P310-G314 PolarHBondContact O-N 3.44Å; I311-G314 PolarHBondContact O-N 2.95Å; G314-K321 WeakPolarHBondContact O-CE 3.39Å; G314-K321 WeakPolarHBondContact O-CG 3.49Å |
| 315 | F | 59.6 | Low | 66.3 | Low | 144 Ų | 144 | 56.4 Ų | 56.4 | 63% | 0.632 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -82.1 | -41.4 | 179.4 | -82.1 | -75.6 | 0 | 0 | 0 | 114 | I311 L312 Y313 K321 | I311-F315 HydrophobicContact CG2-CD2 3.71Å; I311-F315 HydrophobicContact CG2-CE2 3.92Å; I311-F315 VanDerWaalsContact O-CD2 3.29Å; I311-F315 WeakPolarHBondContact O-CD2 3.44Å; I311-F315 PolarHBondContact O-N 3.29Å; L312-F315 PolarHBondContact O-N 3.46Å; Y313-F315 PolarHBondContact O-N 2.9Å; F315-K321 WeakPolarHBondContact O-CE 3.25Å; F315-K321 PolarHBondContact O-NZ 3.27Å |
| 316 | L | 56.4 | Low | 65.3 | Low | 39 Ų | 39 | 62.3 Ų | 62.3 | 20% | 0.204 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -93 | -32.6 | -170.4 | -74.7 | 147 | 0 | 0 | 0 | 114.3 | R254 M258 A261 L312 | R254-L316 PolarHBondContact NE-O 3.49Å; R254-L316 PolarHBondContact NH2-O 3.32Å; M258-L316 HydrophobicContact CB-CB 4.18Å; M258-L316 HydrophobicContact CG-CB 3.68Å; M258-L316 HydrophobicContact CG-CD1 4.15Å; M258-L316 HydrophobicContact CG-CG 4.4Å; M258-L316 HydrophobicContact SD-CB 4.17Å; A261-L316 HydrophobicContact CB-CD1 4Å; L312-L316 HydrophobicContact CD2-CD1 3.47Å; L312-L316 VanDerWaalsContact CD2-CD1 3.47Å; L312-L316 HydrophobicContact CG-CD1 3.74Å; L312-L316 WeakPolarHBondContact O-CB 3.29Å; L312-L316 PolarHBondContact O-N 2.85Å |
| 317 | S | 60.1 | Low | 64.5 | Low | 25 Ų | 25 | 64.7 Ų | 64.7 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | trans | -93 | 114.6 | -174.3 | -167.7 | 0 | 0 | 0 | 0 | 112.8 | Y313 R319 F320 K321 | Y313-S317 VanDerWaalsContact O-CB 3.29Å; Y313-S317 WeakPolarHBondContact O-CB 3.34Å; Y313-S317 PolarHBondContact O-N 2.83Å; S317-R319 VanDerWaalsContact C-N 3.29Å; S317-R319 PolarHBondContact O-N 2.99Å; S317-F320 PolarHBondContact O-N 2.97Å; S317-F320 VanDerWaalsContact O-N 3.09Å; S317-K321 PolarHBondContact O-N 3.05Å | ||
| 318 | Y | 55.5 | Low | 63.8 | Low | 138 Ų | 138 | 69.5 Ų | 69.5 | 54% | 0.541 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.3 | -37.7 | -176.8 | -174.7 | -102 | 0 | 0 | 0 | 113.3 | K321 Q322 | Y318-K321 PolarHBondContact O-N 3.39Å; Y318-Q322 HydrophobicContact CE1-CG 4.22Å; Y318-Q322 VanDerWaalsContact CE1-NE2 3.26Å; Y318-Q322 PolarHBondContact O-N 3.22Å; Y318-Q322 PolarHBondContact OH-NE2 3.42Å; Y318-Q322 VanDerWaalsContact OH-NE2 3.15Å |
| 319 | R | 55.8 | Low | 63.3 | Low | 179 Ų | 179 | 73.9 Ų | 73.9 | 68% | 0.675 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -69.4 | -33.7 | 178.2 | -69.3 | -172.3 | -72 | -150.1 | 1.6 | 112.4 | S317 G323 | S317-R319 VanDerWaalsContact C-N 3.29Å; S317-R319 PolarHBondContact O-N 2.99Å; R319-G323 PolarHBondContact O-N 3.37Å |
| 320 | F | 58.5 | Low | 62.4 | Low | 19 Ų | 19 | 82.8 Ų | 82.8 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71.2 | -40.5 | 171.3 | -77.4 | -97.5 | 0 | 0 | 0 | 111.2 | V66 V69 V70 I84 S317 Q322 G323 F324 | V66-F320 HydrophobicContact CG1-CE1 4.21Å; V69-F320 HydrophobicContact CG1-CD1 4.06Å; V69-F320 HydrophobicContact CG1-CE1 4.26Å; V70-F320 HydrophobicContact CG2-CE1 3.86Å; V70-F320 HydrophobicContact CG2-CZ 3.56Å; I84-F320 HydrophobicContact CD1-CE2 3.85Å; I84-F320 HydrophobicContact CD1-CZ 3.97Å; I84-F320 HydrophobicContact CG2-CE1 4.49Å; I84-F320 HydrophobicContact CG2-CZ 3.96Å; S317-F320 PolarHBondContact O-N 2.97Å; S317-F320 VanDerWaalsContact O-N 3.09Å; F320-Q322 VanDerWaalsContact C-N 3.31Å; F320-Q322 PolarHBondContact O-N 3.09Å; F320-G323 PolarHBondContact O-N 2.86Å; F320-G323 VanDerWaalsContact O-N 3.15Å; F320-F324 WeakPolarHBondContact O-CB 3.36Å; F320-F324 PolarHBondContact O-N 3.48Å |
| 321 | K | 61.8 | Low | 61.2 | Low | 91 Ų | 91 | 87.2 Ų | 87.2 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -55.3 | -43.6 | 171.4 | -77.7 | -168.1 | 158.9 | 167.4 | 0 | 112.8 | G314 F315 S317 Y318 R325 | G314-K321 WeakPolarHBondContact O-CE 3.39Å; G314-K321 WeakPolarHBondContact O-CG 3.49Å; F315-K321 WeakPolarHBondContact O-CE 3.25Å; F315-K321 PolarHBondContact O-NZ 3.27Å; S317-K321 PolarHBondContact O-N 3.05Å; Y318-K321 PolarHBondContact O-N 3.39Å; K321-R325 VanDerWaalsContact O-CB 3.32Å; K321-R325 WeakPolarHBondContact O-CB 3.47Å; K321-R325 PolarHBondContact O-N 3.09Å |
| 322 | Q | 61.1 | Low | 60 | Low | 70 Ų | 70 | 88.1 Ų | 88.1 | 33% | 0.327 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 174.5 | -72.8 | -159.9 | 2.1 | 0 | 0 | 112.7 | Y318 F320 R326 | Y318-Q322 HydrophobicContact CE1-CG 4.22Å; Y318-Q322 VanDerWaalsContact CE1-NE2 3.26Å; Y318-Q322 PolarHBondContact O-N 3.22Å; Y318-Q322 PolarHBondContact OH-NE2 3.42Å; Y318-Q322 VanDerWaalsContact OH-NE2 3.15Å; F320-Q322 VanDerWaalsContact C-N 3.31Å; F320-Q322 PolarHBondContact O-N 3.09Å; Q322-R326 WeakPolarHBondContact O-CB 3.47Å; Q322-R326 WeakPolarHBondContact O-CG 3.1Å; Q322-R326 PolarHBondContact O-N 3.35Å |
| 323 | G | 59.2 | Low | 58.8 | Low | 4 Ų | 4 | 98 Ų | 98 | 4% | 0.041 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.3 | -49.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R319 F320 R325 R326 V327 | R319-G323 PolarHBondContact O-N 3.37Å; F320-G323 PolarHBondContact O-N 2.86Å; F320-G323 VanDerWaalsContact O-N 3.15Å; G323-R325 PolarHBondContact O-N 3.06Å; G323-R326 CarbonylContact O-C 3.32Å; G323-R326 PolarHBondContact O-N 3.47Å; G323-V327 WeakPolarHBondContact O-CG2 3.31Å; G323-V327 PolarHBondContact O-N 3.17Å |
| 324 | F | 63.4 | Low | 57.6 | Low | 97 Ų | 97 | 109.3 Ų | 109.3 | 43% | 0.425 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 177.4 | -162.5 | -94.4 | 0 | 0 | 0 | 111.6 | L65 F320 R326 V327 L328 | L65-F324 HydrophobicContact CD2-CD2 3.84Å; L65-F324 HydrophobicContact CD2-CE2 3.51Å; F320-F324 WeakPolarHBondContact O-CB 3.36Å; F320-F324 PolarHBondContact O-N 3.48Å; F324-R326 PolarHBondContact O-N 3.16Å; F324-V327 PolarHBondContact O-N 3.25Å; F324-L328 HydrophobicContact CD1-CD1 3.67Å; F324-L328 HydrophobicContact CD1-CG 4.47Å; F324-L328 HydrophobicContact CE1-CD1 3.32Å; F324-L328 HydrophobicContact CE1-CG 4.42Å; F324-L328 HydrophobicContact CZ-CD1 3.97Å; F324-L328 PolarHBondContact O-N 2.88Å |
| 325 | R | 63.5 | Low | 56.4 | Low | 180 Ų | 180 | 114.1 Ų | 114.1 | 68% | 0.679 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.8 | -43.2 | 169.3 | -88 | -168.8 | 157.2 | -169.8 | -4.9 | 112.2 | K321 G323 V327 L328 L329 | K321-R325 VanDerWaalsContact O-CB 3.32Å; K321-R325 WeakPolarHBondContact O-CB 3.47Å; K321-R325 PolarHBondContact O-N 3.09Å; G323-R325 PolarHBondContact O-N 3.06Å; R325-V327 PolarHBondContact O-N 3.34Å; R325-L328 PolarHBondContact O-N 3.06Å; R325-L329 HydrophobicContact CB-CD1 4.16Å; R325-L329 HydrophobicContact CG-CD1 3.8Å; R325-L329 WeakPolarHBondContact O-CA 3.38Å; R325-L329 WeakPolarHBondContact O-CB 3.33Å; R325-L329 PolarHBondContact O-N 2.78Å |
| 326 | R | 64 | Low | 55.3 | Low | 125 Ų | 125 | 112.7 Ų | 112.7 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.5 | -19.5 | 179 | -71.2 | 169.7 | -163.6 | -165.2 | 6.9 | 113.7 | Q322 G323 F324 R330 | Q322-R326 WeakPolarHBondContact O-CB 3.47Å; Q322-R326 WeakPolarHBondContact O-CG 3.1Å; Q322-R326 PolarHBondContact O-N 3.35Å; G323-R326 CarbonylContact O-C 3.32Å; G323-R326 PolarHBondContact O-N 3.47Å; F324-R326 PolarHBondContact O-N 3.16Å; R326-R330 WeakPolarHBondContact O-CB 3.5Å; R326-R330 VanDerWaalsContact O-CD 3.28Å; R326-R330 WeakPolarHBondContact O-CD 3.37Å; R326-R330 WeakPolarHBondContact O-CG 3.31Å |
| 327 | V | 64.9 | Low | 54.1 | Low | 55 Ų | 55 | 116.5 Ų | 116.5 | 33% | 0.333 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -86.4 | -46.8 | 173.6 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | L65 Y68 V69 G323 F324 R325 | L65-V327 HydrophobicContact CD1-CG1 4.27Å; Y68-V327 HydrophobicContact CD1-CG2 4.32Å; Y68-V327 HydrophobicContact CE1-CG2 3.82Å; V69-V327 HydrophobicContact CG2-CG2 4.37Å; G323-V327 WeakPolarHBondContact O-CG2 3.31Å; G323-V327 PolarHBondContact O-N 3.17Å; F324-V327 PolarHBondContact O-N 3.25Å; R325-V327 PolarHBondContact O-N 3.34Å |
| 328 | L | 65.7 | Low | 52.9 | Low | 117 Ų | 117 | 124 Ų | 124 | 61% | 0.613 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -79.8 | -27.7 | -178.5 | -65.3 | 180 | 0 | 0 | 0 | 114.5 | F324 R325 | F324-L328 HydrophobicContact CD1-CD1 3.67Å; F324-L328 HydrophobicContact CD1-CG 4.47Å; F324-L328 HydrophobicContact CE1-CD1 3.32Å; F324-L328 HydrophobicContact CE1-CG 4.42Å; F324-L328 HydrophobicContact CZ-CD1 3.97Å; F324-L328 PolarHBondContact O-N 2.88Å; R325-L328 PolarHBondContact O-N 3.06Å |
| 329 | L | 67.7 | Low | 52 | Low | 114 Ų | 114 | 126.5 Ų | 126.5 | 60% | 0.597 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 35.6 | -173.6 | -48.8 | 176.1 | 0 | 0 | 0 | 112.2 | R325 P331 | R325-L329 HydrophobicContact CB-CD1 4.16Å; R325-L329 HydrophobicContact CG-CD1 3.8Å; R325-L329 WeakPolarHBondContact O-CA 3.38Å; R325-L329 WeakPolarHBondContact O-CB 3.33Å; R325-L329 PolarHBondContact O-N 2.78Å; L329-P331 VanDerWaalsContact O-CD 3.31Å; L329-P331 WeakPolarHBondContact O-CD 3.32Å |
| 330 | R | 56.2 | Low | 51.1 | Low | 188 Ų | 188 | 123.7 Ų | 123.7 | 71% | 0.709 | 61% | 0.61 | S | S | * | * | trans | -105.3 | 99.2 | 168.3 | -100.1 | -172.1 | 169.9 | -158.3 | -5.9 | 111.2 | R326 | R326-R330 WeakPolarHBondContact O-CB 3.5Å; R326-R330 VanDerWaalsContact O-CD 3.28Å; R326-R330 WeakPolarHBondContact O-CD 3.37Å; R326-R330 WeakPolarHBondContact O-CG 3.31Å | ||
| 331 | P | 47.9 | Very low | 49.9 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | trans | -53.9 | 146.3 | 152.6 | -20.7 | 32.7 | 0 | 0 | 0 | 109.9 | L329 R333 | L329-P331 VanDerWaalsContact O-CD 3.31Å; L329-P331 WeakPolarHBondContact O-CD 3.32Å; P331-R333 PolarHBondContact O-N 3.22Å | ||
| 332 | S | 43.9 | Very low | 48.9 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | trans | -71.8 | 94.3 | -179.2 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 333 | R | 41.2 | Very low | 47.6 | Very low | 223 Ų | 223 | 131.7 Ų | 131.7 | 84% | 0.842 | 69% | 0.685 | S | S | * | * | trans | -118.1 | 96.8 | 158 | -84.6 | -166.5 | 170.8 | -159.7 | -1.9 | 110.2 | P331 V335 | P331-R333 PolarHBondContact O-N 3.22Å; R333-V335 PolarHBondContact O-N 2.94Å | ||
| 334 | R | 41.8 | Very low | 46.6 | Very low | 242 Ų | 242 | 137.7 Ų | 137.7 | 91% | 0.913 | 72% | 0.723 | S | S | * | * | trans | -70.9 | 103.2 | 153.1 | -61.6 | -175.7 | -171.8 | -167.8 | 4.3 | 106.7 | ||||
| 335 | V | 37 | Very low | 45.5 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -89.8 | 126.8 | 162.8 | 179.9 | 0 | 0 | 0 | 0 | 106.5 | R333 | R333-V335 PolarHBondContact O-N 2.94Š| ||
| 336 | C | 34.8 | Very low | 44 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -74.3 | 132.4 | 175.5 | -163.2 | 0 | 0 | 0 | 0 | 109 | Q338 | C336-Q338 PolarHBondContact O-N 2.88Š| ||
| 337 | S | 32 | Very low | 42.8 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -74.6 | 106.4 | 171.7 | -67.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 338 | Q | 34.8 | Very low | 41.2 | Very low | 184 Ų | 184 | 146.6 Ų | 146.6 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -87.4 | 145.5 | 150.4 | -75.8 | -175.5 | -25.3 | 0 | 0 | 108.7 | C336 | C336-Q338 PolarHBondContact O-N 2.88Š| ||
| 339 | E | 36.8 | Very low | 39.6 | Very low | 189 Ų | 189 | 149.1 Ų | 149.1 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -105.6 | 119.3 | -171.4 | -176.9 | 174.2 | -174.3 | 0 | 0 | 109.7 | ||||
| 340 | P | 36.2 | Very low | 37.8 | Very low | 121 Ų | 121 | 152.8 Ų | 152.8 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 134.6 | 175.2 | -9.3 | 27.6 | 0 | 0 | 0 | 112 | ||
| 341 | T | 33.4 | Very low | 36.6 | Very low | 143 Ų | 143 | 152.6 Ų | 152.6 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 154.5 | 179.1 | -31.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 342 | V | 40.5 | Very low | 35.6 | Very low | 146 Ų | 146 | 154.7 Ų | 154.7 | 89% | 0.885 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 136.6 | -176.3 | 178.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 343 | G | 34 | Very low | 35 | Very low | 59 Ų | 59 | 158.3 Ų | 158.3 | 61% | 0.608 | 83% | 0.831 | S | S | * | * | trans | -136.9 | 162.3 | 164 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 344 | P | 39.7 | Very low | 34.5 | Very low | 129 Ų | 129 | 156.7 Ų | 156.7 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 160.7 | -173.3 | -16.2 | 32.4 | 0 | 0 | 0 | 114.1 | ||
| 345 | P | 39 | Very low | 33.9 | Very low | 131 Ų | 131 | 154.4 Ų | 154.4 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 123.3 | -175.5 | 32.1 | -33.9 | 0 | 0 | 0 | 112.9 | ||
| 346 | E | 32.2 | Very low | 33.6 | Very low | 186 Ų | 186 | 158 Ų | 158 | 87% | 0.869 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 152.7 | 160.4 | -168 | 155.1 | -145.8 | 0 | 0 | 109.7 | ||
| 347 | K | 38.6 | Very low | 33.4 | Very low | 201 Ų | 201 | 161 Ų | 161 | 87% | 0.874 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 136.7 | -179.8 | -66.2 | 179.1 | -179.8 | 178.1 | 0 | 110.2 | ||
| 348 | T | 31.5 | Very low | 33.3 | Very low | 126 Ų | 126 | 158.8 Ų | 158.8 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | trans | -145.1 | 149.8 | 161.8 | -37.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 349 | E | 31.7 | Very low | 33.1 | Very low | 171 Ų | 171 | 159.2 Ų | 159.2 | 80% | 0.799 | 85% | 0.849 | S | S | * | * | trans | -68 | 151.2 | -171.8 | -69.6 | 93.9 | 169.6 | 0 | 0 | 114.3 | ||||
| 350 | E | 30.6 | Very low | 32.7 | Very low | 191 Ų | 191 | 160 Ų | 160 | 89% | 0.893 | 85% | 0.852 | S | S | * | * | trans | -84.4 | 111.2 | 167.3 | -67.1 | -179.3 | 137.8 | 0 | 0 | 108.4 | ||||
| 351 | E | 30.5 | Very low | 32.5 | Very low | 184 Ų | 184 | 159.9 Ų | 159.9 | 86% | 0.86 | 85% | 0.854 | S | S | * | * | trans | -84.9 | 117.9 | 166.2 | -67.3 | -172.5 | 132.5 | 0 | 0 | 109 | E353 | E351-E353 PolarHBondContact O-N 3.35Š| ||
| 352 | D | 27.4 | Very low | 32.4 | Very low | 156 Ų | 156 | 164.2 Ų | 164.2 | 83% | 0.834 | 86% | 0.855 | S | S | * | * | trans | -75.5 | 104 | 176.2 | -85.5 | -52.4 | 0 | 0 | 0 | 110.7 | E354 | D352-E354 PolarHBondContact O-N 2.92Š| ||
| 353 | E | 30.5 | Very low | 31.9 | Very low | 191 Ų | 191 | 166.2 Ų | 166.2 | 89% | 0.893 | 85% | 0.854 | S | S | * | * | trans | -76.6 | 100.9 | 167.8 | -71.4 | -170.9 | 141.6 | 0 | 0 | 111 | E351 E355 | E351-E353 PolarHBondContact O-N 3.35Å; E353-E355 PolarHBondContact O-N 2.77Å | ||
| 354 | E | 30.6 | Very low | 31.6 | Very low | 188 Ų | 188 | 167.4 Ų | 167.4 | 88% | 0.879 | 87% | 0.866 | S | S | * | * | trans | -81 | 105 | 169.1 | -66.1 | -163.7 | 132.7 | 0 | 0 | 111.3 | D352 | D352-E354 PolarHBondContact O-N 2.92Š| ||
| 355 | E | 30.6 | Very low | 31.1 | Very low | 195 Ų | 195 | 165 Ų | 165 | 91% | 0.911 | 87% | 0.865 | S | S | * | * | trans | -79.2 | 119 | 167.3 | -77.7 | -167.4 | 134.9 | 0 | 0 | 111.6 | E353 D357 | E353-E355 PolarHBondContact O-N 2.77Å; E355-D357 PolarHBondContact O-N 2.82Å | ||
| 356 | E | 31.2 | Very low | 30.6 | Very low | 194 Ų | 194 | 169 Ų | 169 | 91% | 0.907 | 87% | 0.869 | S | S | * | * | trans | -77.3 | 112.9 | 173.2 | -66.5 | -170.5 | 120 | 0 | 0 | 112.6 | G358 | E356-G358 PolarHBondContact O-N 3.44Š| ||
| 357 | D | 29.5 | Very low | 30.5 | Very low | 177 Ų | 177 | 170.9 Ų | 170.9 | 95% | 0.947 | 87% | 0.868 | S | S | * | * | trans | -80.8 | 94.9 | 161.4 | -116.3 | -17.7 | 0 | 0 | 0 | 108.2 | E355 | E355-D357 PolarHBondContact O-N 2.82Š| ||
| 358 | G | 29.3 | Very low | 30 | Very low | 73 Ų | 73 | 170.1 Ų | 170.1 | 75% | 0.753 | 87% | 0.865 | S | S | * | * | trans | -80.2 | 136.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E356 | E356-G358 PolarHBondContact O-N 3.44Š| ||
| 359 | E | 31.2 | Very low | 30 | Very low | 193 Ų | 193 | 172 Ų | 172 | 90% | 0.902 | 87% | 0.865 | S | S | * | * | trans | -121.8 | 128 | 163.8 | -84.6 | -172.3 | 139.6 | 0 | 0 | 110.3 | ||||
| 360 | E | 29.2 | Very low | 29.9 | Very low | 204 Ų | 204 | 171.9 Ų | 171.9 | 95% | 0.953 | 87% | 0.866 | S | S | * | * | trans | -61.9 | 134.1 | 180 | -66.8 | -179.4 | 101.3 | 0 | 0 | 112.3 | ||||
| 361 | S | 31.8 | Very low | 29.7 | Very low | 120 Ų | 120 | 170.3 Ų | 170.3 | 84% | 0.839 | 86% | 0.864 | S | S | * | * | trans | -121.2 | 128.4 | 165.9 | -73.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 362 | R | 30.5 | Very low | 29.5 | Very low | 234 Ų | 234 | 165 Ų | 165 | 88% | 0.883 | 86% | 0.859 | S | S | * | * | trans | -69 | 145.6 | -170.5 | -74.5 | 176.7 | 167.4 | 161.8 | -7.3 | 113.7 | ||||
| 363 | E | 29.9 | Very low | 29.5 | Very low | 188 Ų | 188 | 169.8 Ų | 169.8 | 88% | 0.879 | 87% | 0.866 | S | S | * | * | trans | 29.8 | 110.9 | 145.3 | -60 | -177.2 | 104.4 | 0 | 0 | 119 | ||||
| 364 | G | 27.9 | Very low | 29.4 | Very low | 83 Ų | 83 | 167 Ų | 167 | 86% | 0.856 | 86% | 0.861 | S | S | * | * | trans | -171.1 | 83.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 365 | G | 28.9 | Very low | 29.3 | Very low | 79 Ų | 79 | 162.7 Ų | 162.7 | 81% | 0.814 | 85% | 0.852 | S | S | * | * | trans | 81.9 | 103.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 366 | K | 29.4 | Very low | 29.2 | Very low | 216 Ų | 216 | 161.4 Ų | 161.4 | 94% | 0.939 | 85% | 0.846 | S | S | * | * | trans | -74.4 | 130.7 | 159.2 | -72.4 | 175.8 | 178.7 | 170.3 | 0 | 110.3 | ||||
| 367 | R | 29.7 | Very low | 29.1 | Very low | 225 Ų | 225 | 158.6 Ų | 158.6 | 85% | 0.849 | 84% | 0.836 | S | S | * | * | trans | -145.6 | 133.4 | 143.5 | -163.3 | 163.6 | -178.5 | 149.9 | 1.7 | 111.1 | ||||
| 368 | K | 29 | Very low | 29 | Very low | 184 Ų | 184 | 156.4 Ų | 156.4 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | trans | -86.8 | 150.5 | 173 | -70.5 | 179.3 | 172 | -176.7 | 0 | 110.2 | ||||
| 369 | E | 30.7 | Very low | 29 | Very low | 167 Ų | 167 | 161.3 Ų | 161.3 | 78% | 0.78 | 83% | 0.832 | S | S | * | * | trans | 165.6 | 103.6 | 137.9 | -91.4 | 145.7 | -162.3 | 0 | 0 | 106.3 | ||||
| 370 | M | 29.8 | Very low | 29.5 | Very low | 167 Ų | 167 | 158 Ų | 158 | 82% | 0.823 | 83% | 0.828 | S | S | * | * | cis | 81.8 | 108.7 | 47.6 | -164.7 | 164.2 | 78.7 | 0 | 0 | 114.1 | ||||
| 371 | N | 26 | Very low | 29.3 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | 24.5 | 111.5 | 161.5 | -64.3 | -8.2 | 0 | 0 | 0 | 117.5 | ||||
| 372 | G | 26.4 | Very low | 29.1 | Very low | 74 Ų | 74 | 152.6 Ų | 152.6 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | 93.2 | 144.2 | 54.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 373 | R | 28.1 | Very low | 29 | Very low | 256 Ų | 256 | 147.5 Ų | 147.5 | 97% | 0.966 | 82% | 0.819 | S | S | * | * | trans | -161.4 | 159.4 | 151.9 | -124.4 | 174.5 | 175.8 | 169.1 | -2 | 112.3 | ||||
| 374 | V | 27.7 | Very low | 28.9 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | -114.9 | 151.1 | -176.3 | 175.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 375 | S | 28.3 | Very low | 28.9 | Very low | 98 Ų | 98 | 146 Ų | 146 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | trans | 139.9 | 124 | 154.2 | -76.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 376 | Q | 28.6 | Very low | 28.8 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | 67.1 | 132.4 | 70.6 | -79.1 | -169.7 | 6.3 | 0 | 0 | 111.9 | |||||
| 377 | I | 29.1 | Very low | 28.8 | Very low | 134 Ų | 134 | 151.9 Ų | 151.9 | 69% | 0.687 | 81% | 0.808 | S | S | * | * | cis | -147.6 | 158.2 | 18.7 | -98 | 140.7 | 0 | 0 | 0 | 107.7 | ||||
| 378 | T | 28.1 | Very low | 29.8 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | -179.6 | 149.8 | 93.5 | -36 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 379 | Q | 28.6 | Very low | 30.4 | Very low | 177 Ų | 177 | 144 Ų | 144 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -110.8 | -156.8 | 167.5 | -53.5 | -175.4 | -22.9 | 0 | 0 | 109.1 | ||||
| 380 | P | 41.8 | Very low | 30.3 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | cis | -129.5 | -179.2 | -22.3 | 36.1 | -17.3 | 0 | 0 | 0 | 113.9 | ||||
| 381 | G | 25.7 | Very low | 30.3 | Very low | 74 Ų | 74 | 144.7 Ų | 144.7 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -176.5 | 146 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 382 | T | 27.3 | Very low | 30.5 | Very low | 135 Ų | 135 | 143 Ų | 143 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | trans | -133.8 | 158.1 | -162.3 | 43.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 383 | S | 28.4 | Very low | 30.8 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | trans | 70.8 | 150.9 | 160.7 | -61.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 384 | G | 27.6 | Very low | 30.8 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 153.3 | 26.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 385 | Q | 26.8 | Very low | 30.8 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | trans | 37 | 139.1 | 141.5 | -171.5 | 161.9 | -19.5 | 0 | 0 | 123.8 | ||||
| 386 | Q | 27.8 | Very low | 30.9 | Very low | 178 Ų | 178 | 138 Ų | 138 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 89.4 | 176.6 | 153.9 | -89.4 | 166.3 | 7.3 | 0 | 0 | 122 | ||||
| 387 | R | 29.3 | Very low | 30.9 | Very low | 240 Ų | 240 | 137.1 Ų | 137.1 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -108.1 | 166.6 | -150.1 | -101 | -170 | -176.5 | -175.5 | 3.3 | 114.3 | ||||
| 388 | P | 51.8 | Low | 31 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | trans | -93.3 | 169.3 | -169.1 | 38.4 | -38.2 | 0 | 0 | 0 | 114.7 | ||||
| 389 | P | 41.2 | Very low | 31 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | -111.7 | 163.7 | 157.7 | 37.5 | -28.2 | 0 | 0 | 0 | 113.9 | ||||
| 390 | S | 29.1 | Very low | 31 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -101.5 | 168.2 | -173.9 | 54.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 391 | R | 29.2 | Very low | 31 | Very low | 236 Ų | 236 | 137.3 Ų | 137.3 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | trans | -137.3 | 119.5 | 150.4 | -80.7 | -167.4 | 170.1 | -177.6 | -3.9 | 109.6 | ||||
| 392 | V | 29.8 | Very low | 31.2 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | 64.9 | 99.5 | 104.5 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 393 | A | 32.3 | Very low | 31.4 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | 75.4 | 146.3 | 69.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 394 | S | 27.7 | Very low | 31.5 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | cis | -154.9 | 160.7 | 24.5 | -52.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 395 | K | 28.8 | Very low | 31.4 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | trans | 54.2 | 146.6 | 133.7 | -77.4 | -167 | 165.6 | -143.8 | 0 | 122 | ||||
| 396 | E | 30 | Very low | 31.5 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 44% | 0.439 | 75% | 0.752 | S | S | . | * | cis | -130.6 | 161.2 | -4.9 | -81.9 | -128.4 | 175 | 0 | 0 | 109.2 | Q398 | E396-Q398 PolarHBondContact OE2-NE2 3.1Š| ||
| 397 | Q | 28.7 | Very low | 31.5 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | cis | 81.1 | 151.2 | 31.4 | -170.6 | -172.2 | -96.3 | 0 | 0 | 113.7 | ||||
| 398 | Q | 30.7 | Very low | 31.5 | Very low | 148 Ų | 148 | 131 Ų | 131 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | trans | 76 | 145.8 | -176 | -52 | -178.6 | 58.1 | 0 | 0 | 114.5 | E396 | E396-Q398 PolarHBondContact OE2-NE2 3.1Š| ||
| 399 | L | 27.3 | Very low | 30.5 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | cis | -152 | -177.9 | -10.3 | -146.1 | 69.4 | 0 | 0 | 0 | 110.9 | ||||
| 400 | L | 30.7 | Very low | 29.9 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | -134 | 168.6 | 165.3 | -94.9 | 168.3 | 0 | 0 | 0 | 109.2 | ||||
| 401 | P | 40.9 | Very low | 29.9 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | -137.2 | 179.7 | 108.2 | 21.3 | -0.2 | 0 | 0 | 0 | 114.8 | |||||
| 402 | Q | 29.2 | Very low | 30 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | -126.6 | 178.8 | -162.5 | -162.6 | -170.3 | -56.9 | 0 | 0 | 112.2 | ||||
| 403 | E | 32.8 | Very low | 29.9 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | 85.8 | 144.6 | 164.6 | -59.7 | -58 | 79.3 | 0 | 0 | 118.5 | ||||
| 404 | A | 28.9 | Very low | 29.6 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 63% | 0.628 | 73% | 0.731 | S | S | * | * | cis | -165.5 | 165.3 | -14.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 405 | S | 26.8 | Very low | 29.8 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | 52.2 | 124.2 | 144.7 | -165.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 406 | T | 28.6 | Very low | 29.6 | Very low | 136 Ų | 136 | 134 Ų | 134 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | 176.3 | 155.1 | 111.7 | 29.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 407 | G | 28.1 | Very low | 29.7 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | 67.3 | 100.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 408 | E | 29.7 | Very low | 30.1 | Very low | 159 Ų | 159 | 145 Ų | 145 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | 71.8 | 89.9 | 50.7 | -150.4 | -142.1 | 148.6 | 0 | 0 | 115.5 | |||||
| 409 | K | 29.1 | Very low | 30.1 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | 173.7 | 162.2 | 118.3 | -93.3 | 164.5 | -163.7 | 176.3 | 0 | 113.8 | |||||
| 410 | S | 29 | Very low | 30.3 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -138.2 | 161.5 | -178 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 411 | S | 30.5 | Very low | 30.2 | Very low | 98 Ų | 98 | 144.7 Ų | 144.7 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | 81.6 | 109.4 | 151.8 | -53.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 412 | T | 29.8 | Very low | 29.6 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | 94.5 | 124.9 | 134.6 | -6.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 413 | M | 28 | Very low | 29.7 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 73% | 0.729 | 80% | 0.796 | S | S | * | * | 118.5 | 143.4 | 120.9 | -137.8 | -165.4 | -167.3 | 0 | 0 | 119.4 | |||||
| 414 | R | 27.3 | Very low | 29.4 | Very low | 207 Ų | 207 | 144.1 Ų | 144.1 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | 77 | 113.4 | 168.5 | -53.7 | -167.5 | -173.5 | -153.1 | 2.4 | 115 | ||||
| 415 | I | 30.2 | Very low | 29.5 | Very low | 142 Ų | 142 | 149 Ų | 149 | 73% | 0.728 | 81% | 0.813 | S | S | * | * | 76.1 | 116 | 64.9 | -65.3 | 164.5 | 0 | 0 | 0 | 112.2 | |||||
| 416 | S | 25.7 | Very low | 29.7 | Very low | 122 Ų | 122 | 152.5 Ų | 152.5 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -161.9 | 146.8 | 133 | -91.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 417 | Y | 32.4 | Very low | 29.8 | Very low | 226 Ų | 226 | 153.8 Ų | 153.8 | 89% | 0.886 | 82% | 0.818 | S | S | * | * | trans | -98.6 | 149.1 | 170.1 | -78.8 | -105.9 | 0 | 0 | 0 | 109.7 | ||||
| 418 | L | 37.6 | Very low | 29.9 | Very low | 249 Ų | 249 | 161.2 Ų | 161.2 | 100% | 1.304 | 82% | 0.824 | S | S | * | * | trans | -157.8 | 0 | 142.7 | -106.6 | 165.8 | 0 | 0 | 0 | 108.6 |
Retrieved 418 of 418 residues in 790.9 ms
(Link to these results)