| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.2 | Very low | 37.8 | Very low | 240 Ų | 240 | 157.7 Ų | 157.7 | 100% | 1.182 | 86% | 0.859 | S | S | * | * | 0 | 122.9 | 0 | -83.8 | 166.6 | 155.7 | 0 | 0 | 107.9 | |||||
| 2 | T | 40.6 | Very low | 37.6 | Very low | 135 Ų | 135 | 160 Ų | 160 | 83% | 0.828 | 85% | 0.854 | S | S | * | * | trans | 54.4 | 101.3 | 166.8 | 56.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 3 | N | 38.6 | Very low | 37.5 | Very low | 162 Ų | 162 | 157.9 Ų | 157.9 | 87% | 0.866 | 85% | 0.851 | S | S | * | * | 61.3 | 140.4 | 80.4 | -83.7 | -4.5 | 0 | 0 | 0 | 114.3 | |||||
| 4 | S | 36.6 | Very low | 37.5 | Very low | 112 Ų | 112 | 155 Ų | 155 | 78% | 0.783 | 85% | 0.849 | S | S | * | * | cis | -169 | 163.8 | 8.7 | -117 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 5 | K | 37.3 | Very low | 37.8 | Very low | 211 Ų | 211 | 150.5 Ų | 150.5 | 92% | 0.917 | 85% | 0.852 | S | S | * | * | trans | -74.1 | 147 | -179.1 | -73.4 | 173.1 | 169.4 | 175.1 | 0 | 115.8 | ||||
| 6 | G | 37 | Very low | 37.6 | Very low | 78 Ų | 78 | 145.8 Ų | 145.8 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | 89.4 | 130.6 | 115 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 7 | R | 38.2 | Very low | 37.9 | Very low | 259 Ų | 259 | 144.5 Ų | 144.5 | 98% | 0.977 | 85% | 0.845 | S | S | * | * | trans | -167.2 | 144.8 | 137.1 | -146.2 | 167.2 | -179 | 161.6 | -0.8 | 113.4 | ||||
| 8 | S | 36.1 | Very low | 37.7 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 64% | 0.643 | 84% | 0.84 | S | S | * | * | trans | -111.3 | 164.1 | -177.8 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 9 | I | 38.4 | Very low | 37.7 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 81% | 0.805 | 84% | 0.844 | S | S | * | * | 154.6 | 146.3 | 127.1 | -78.2 | 155.6 | 0 | 0 | 0 | 113 | |||||
| 10 | T | 37 | Very low | 37.6 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 73% | 0.73 | 84% | 0.842 | S | S | * | * | trans | -70 | 167.1 | -170.4 | 48.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 11 | D | 40.9 | Very low | 37.2 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 91% | 0.909 | 85% | 0.846 | S | S | * | * | trans | -154.2 | 150.5 | 141.4 | -108.8 | -27.2 | 0 | 0 | 0 | 115.3 | ||||
| 12 | K | 35.6 | Very low | 37.1 | Very low | 185 Ų | 185 | 129.8 Ų | 129.8 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -110.2 | 179.6 | -168.3 | -82 | -178.2 | 173.6 | 176.6 | 0 | 113.4 | ||||
| 13 | T | 36.5 | Very low | 36.6 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 82% | 0.816 | 83% | 0.827 | S | S | * | * | trans | 97.2 | 141.1 | 154.8 | 55.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 14 | S | 37.7 | Very low | 36.5 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | cis | 179.6 | 149.6 | -14.4 | 40.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 15 | G | 41.1 | Very low | 36.3 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | 153.2 | 120.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 16 | G | 34.2 | Very low | 36 | Very low | 76 Ų | 76 | 133.9 Ų | 133.9 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | -116.8 | -161.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 17 | P | 42.7 | Very low | 35.9 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | cis | -140.2 | -177.8 | -4.8 | 40.8 | -20.9 | 0 | 0 | 0 | 116.6 | ||||
| 18 | S | 35.9 | Very low | 35.7 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 93.6 | 135.7 | 145.9 | 77.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 19 | N | 37.5 | Very low | 35.5 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | 83.6 | 118 | 156.6 | -84.2 | -0.1 | 0 | 0 | 0 | 122.7 | ||||
| 20 | G | 34.3 | Very low | 35.3 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 112.9 | 105.2 | 130.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 21 | G | 29.1 | Very low | 35.4 | Very low | 90 Ų | 90 | 138.8 Ų | 138.8 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | trans | 58.6 | 111.2 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 22 | G | 33.7 | Very low | 35.5 | Very low | 63 Ų | 63 | 135.6 Ų | 135.6 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | trans | -174.4 | 105.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112 | V24 | G22-V24 WeakPolarHBondContact O-CG2 3.48Å; G22-V24 PolarHBondContact O-N 3.28Å; G22-V24 VanDerWaalsContact O-N 3.13Å | ||
| 23 | F | 30.4 | Very low | 35.7 | Very low | 219 Ų | 219 | 133.7 Ų | 133.7 | 96% | 0.961 | 80% | 0.8 | S | S | * | * | trans | -62.4 | 102.9 | 167.1 | -150.7 | -97.9 | 0 | 0 | 0 | 107.4 | D25 | F23-D25 PolarHBondContact O-N 3.26Š| ||
| 24 | V | 37.3 | Very low | 36.2 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | trans | -89.4 | 92.9 | -176.6 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | G22 W26 | G22-V24 WeakPolarHBondContact O-CG2 3.48Å; G22-V24 PolarHBondContact O-N 3.28Å; G22-V24 VanDerWaalsContact O-N 3.13Å; V24-W26 PolarHBondContact O-N 3.28Å | ||
| 25 | D | 32.1 | Very low | 36.8 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 65% | 0.647 | 77% | 0.765 | S | S | * | * | trans | 17 | 94.9 | 138.5 | -149.4 | -4.6 | 0 | 0 | 0 | 117.5 | F23 T27 | F23-D25 PolarHBondContact O-N 3.26Å; D25-T27 PolarHBondContact OD1-OG1 3.5Å | ||
| 26 | W | 31.1 | Very low | 37.2 | Very low | 241 Ų | 241 | 129.9 Ų | 129.9 | 91% | 0.913 | 75% | 0.745 | S | S | * | * | trans | -99.3 | 64.2 | 169.6 | -102.8 | 93 | 0 | 0 | 0 | 109.7 | V24 | V24-W26 PolarHBondContact O-N 3.28Š| ||
| 27 | T | 34.6 | Very low | 38.2 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | trans | -151.1 | 4.7 | -177.5 | 7.1 | 0 | 0 | 0 | 0 | 120.3 | D25 | D25-T27 PolarHBondContact OD1-OG1 3.5Š| ||
| 28 | L | 32.5 | Very low | 38.3 | Very low | 159 Ų | 159 | 129 Ų | 129 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -154.4 | 100.5 | 177.1 | -96.8 | 112 | 0 | 0 | 0 | 112.9 | ||
| 29 | R | 32.4 | Very low | 39.1 | Very low | 247 Ų | 247 | 127.7 Ų | 127.7 | 93% | 0.932 | 69% | 0.691 | S | S | * | * | trans | 178.6 | 28.3 | 145.3 | -102.9 | 178.4 | -156.1 | -113.1 | 7.5 | 116.8 | ||||
| 30 | L | 34.8 | Very low | 40 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 84% | 0.843 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -101.9 | 107.9 | 168.1 | -92.8 | 93.8 | 0 | 0 | 0 | 111.9 | T32 | L30-T32 PolarHBondContact O-N 3.45Å; L30-T32 VanDerWaalsContact O-N 3.09Å |
| 31 | N | 39.7 | Very low | 40.9 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 72% | 0.722 | 65% | 0.648 | S | S | * | * | trans | 46.9 | 42.7 | 147.3 | -69 | -13.3 | 0 | 0 | 0 | 119.8 | I33 | N31-I33 PolarHBondContact O-N 3.27Å; N31-I33 VanDerWaalsContact O-N 3.15Å | ||
| 32 | T | 42.7 | Very low | 41.6 | Very low | 103 Ų | 103 | 120.3 Ų | 120.3 | 63% | 0.632 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.4 | -15.5 | 173.3 | 39.9 | 0 | 0 | 0 | 0 | 114.7 | L30 | L30-T32 PolarHBondContact O-N 3.45Å; L30-T32 VanDerWaalsContact O-N 3.09Å |
| 33 | I | 39.4 | Very low | 42.4 | Very low | 144 Ų | 144 | 122.7 Ų | 122.7 | 74% | 0.738 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -81.6 | -24.6 | -173.2 | -60.6 | 174.3 | 0 | 0 | 0 | 113.7 | N31 | N31-I33 PolarHBondContact O-N 3.27Å; N31-I33 VanDerWaalsContact O-N 3.15Å |
| 34 | Q | 46.9 | Very low | 43.5 | Very low | 116 Ų | 116 | 116.4 Ų | 116.4 | 54% | 0.542 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -93.5 | -30.8 | 177.8 | -166.5 | 168 | -30.1 | 0 | 0 | 112.4 | F38 | Q34-F38 PolarHBondContact O-N 3.43Å |
| 35 | S | 49.9 | Very low | 44 | Very low | 52 Ų | 52 | 111.9 Ų | 111.9 | 36% | 0.364 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.7 | -41.8 | 175.9 | -168.4 | 0 | 0 | 0 | 0 | 111.9 | K37 F38 L39 | S35-K37 PolarHBondContact O-N 3.01Å; S35-F38 PolarHBondContact O-N 3.01Å; S35-L39 VanDerWaalsContact O-CB 3.25Å; S35-L39 WeakPolarHBondContact O-CB 3.39Å; S35-L39 PolarHBondContact O-N 3.16Å |
| 36 | D | 50.8 | Low | 44.4 | Very low | 89 Ų | 89 | 108.9 Ų | 108.9 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | -177.1 | -73.5 | -14.2 | 0 | 0 | 0 | 112.7 | N40 | D36-N40 WeakPolarHBondContact O-CB 3.23Å; D36-N40 PolarHBondContact O-N 3.07Å; D36-N40 PolarHBondContact O-ND2 3.26Å |
| 37 | K | 53.6 | Low | 44.7 | Very low | 167 Ų | 167 | 100.7 Ų | 100.7 | 73% | 0.726 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.1 | -41.2 | 176.9 | -77.2 | -173.9 | 178.7 | -179.5 | 0 | 111.7 | S35 L41 | S35-K37 PolarHBondContact O-N 3.01Å; K37-L41 VanDerWaalsContact O-CB 3.32Å; K37-L41 WeakPolarHBondContact O-CB 3.48Å; K37-L41 PolarHBondContact O-N 3.1Å |
| 38 | F | 46.7 | Very low | 44.9 | Very low | 14 Ų | 14 | 101.7 Ų | 101.7 | 6% | 0.061 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -71.4 | -41.6 | 179.6 | -174.1 | -97.2 | 0 | 0 | 0 | 112 | Q34 S35 L41 L42 V180 A329 W333 | Q34-F38 PolarHBondContact O-N 3.43Å; S35-F38 PolarHBondContact O-N 3.01Å; F38-L41 WeakPolarHBondContact O-CB 3.45Å; F38-L41 PolarHBondContact O-N 3.38Å; F38-L42 HydrophobicContact CD1-CD1 3.72Å; F38-L42 HydrophobicContact CD1-CG 4.1Å; F38-L42 HydrophobicContact CE1-CD1 3.36Å; F38-L42 HydrophobicContact CE1-CD2 4.38Å; F38-L42 HydrophobicContact CE1-CG 3.87Å; F38-L42 HydrophobicContact CZ-CD1 4.13Å; F38-L42 HydrophobicContact CZ-CD2 4.36Å; F38-L42 HydrophobicContact CZ-CG 4.26Å; F38-L42 WeakPolarHBondContact O-CG 3.19Å; F38-L42 PolarHBondContact O-N 3.46Å; F38-V180 HydrophobicContact CE2-CB 4.41Å; F38-V180 HydrophobicContact CE2-CG1 3.93Å; F38-V180 HydrophobicContact CE2-CG2 3.79Å; F38-V180 HydrophobicContact CZ-CG1 3.89Å; F38-V180 HydrophobicContact CZ-CG2 3.91Å; F38-A329 HydrophobicContact CE1-CB 4.03Å; F38-A329 HydrophobicContact CZ-CB 3.92Å; F38-W333 AromaticContact CD1-CE2 3.9Å; F38-W333 AromaticContact CD1-CH2 3.63Å; F38-W333 HydrophobicContact CD1-CH2 3.63Å; F38-W333 AromaticContact CD1-CZ2 3.2Å; F38-W333 HydrophobicContact CD1-CZ2 3.2Å; F38-W333 AromaticContact CE1-CH2 3.76Å; F38-W333 HydrophobicContact CE1-CH2 3.76Å; F38-W333 AromaticContact CE1-CZ2 3.59Å; F38-W333 HydrophobicContact CE1-CZ2 3.59Å; F38-W333 HydrophobicContact CE1-CZ3 4.33Å; F38-W333 HydrophobicContact CG-CZ2 4.17Å |
| 39 | L | 50.9 | Low | 44.9 | Very low | 81 Ų | 81 | 101 Ų | 101 | 42% | 0.424 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 174.6 | -168.2 | 73.9 | 0 | 0 | 0 | 111 | S35 L41 L42 L43 | S35-L39 VanDerWaalsContact O-CB 3.25Å; S35-L39 WeakPolarHBondContact O-CB 3.39Å; S35-L39 PolarHBondContact O-N 3.16Å; L39-L41 VanDerWaalsContact C-N 3.33Å; L39-L42 PolarHBondContact O-N 3.48Å; L39-L43 HydrophobicContact CD2-CD1 4.43Å; L39-L43 HydrophobicContact CG-CD1 4.01Å; L39-L43 VanDerWaalsContact O-CB 3.29Å; L39-L43 WeakPolarHBondContact O-CB 3.37Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 2.96Å |
| 40 | N | 57.9 | Low | 44.8 | Very low | 103 Ų | 103 | 99.5 Ų | 99.5 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.9 | -36.4 | 173 | -76.8 | -46.4 | 0 | 0 | 0 | 112.1 | D36 S44 | D36-N40 WeakPolarHBondContact O-CB 3.23Å; D36-N40 PolarHBondContact O-N 3.07Å; D36-N40 PolarHBondContact O-ND2 3.26Å; N40-S44 WeakPolarHBondContact O-CB 3.22Å; N40-S44 PolarHBondContact O-N 2.94Å; N40-S44 PolarHBondContact O-OG 2.72Å |
| 41 | L | 52.3 | Low | 44.7 | Very low | 50 Ų | 50 | 101.1 Ų | 101.1 | 26% | 0.262 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -51.3 | 173.7 | -169.6 | 78.5 | 0 | 0 | 0 | 110.5 | K37 F38 L39 L43 S44 M45 I183 | K37-L41 VanDerWaalsContact O-CB 3.32Å; K37-L41 WeakPolarHBondContact O-CB 3.48Å; K37-L41 PolarHBondContact O-N 3.1Å; F38-L41 WeakPolarHBondContact O-CB 3.45Å; F38-L41 PolarHBondContact O-N 3.38Å; L39-L41 VanDerWaalsContact C-N 3.33Å; L41-L43 VanDerWaalsContact C-N 3.34Å; L41-L43 PolarHBondContact O-N 2.84Å; L41-S44 WeakPolarHBondContact CA-OG 3.44Å; L41-S44 PolarHBondContact O-N 3.18Å; L41-S44 VanDerWaalsContact O-N 3.14Å; L41-S44 PolarHBondContact O-OG 3.35Å; L41-M45 HydrophobicContact CD1-CE 3.79Å; L41-M45 HydrophobicContact CD2-CE 3.86Å; L41-M45 HydrophobicContact CD2-SD 4.44Å; L41-M45 HydrophobicContact CG-CE 3.62Å; L41-M45 HydrophobicContact CG-SD 4.04Å; L41-M45 VanDerWaalsContact O-CG 3.29Å; L41-M45 WeakPolarHBondContact O-CG 3.45Å; L41-M45 PolarHBondContact O-N 2.87Å; L41-I183 HydrophobicContact CD2-CD1 3.57Å |
| 42 | L | 43.8 | Very low | 44.5 | Very low | 30 Ų | 30 | 103.5 Ų | 103.5 | 16% | 0.157 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -57.4 | -45.7 | 176.1 | -73.6 | 179.1 | 0 | 0 | 0 | 111.7 | F38 L39 S44 M45 V46 V180 L325 | F38-L42 HydrophobicContact CD1-CD1 3.72Å; F38-L42 HydrophobicContact CD1-CG 4.1Å; F38-L42 HydrophobicContact CE1-CD1 3.36Å; F38-L42 HydrophobicContact CE1-CD2 4.38Å; F38-L42 HydrophobicContact CE1-CG 3.87Å; F38-L42 HydrophobicContact CZ-CD1 4.13Å; F38-L42 HydrophobicContact CZ-CD2 4.36Å; F38-L42 HydrophobicContact CZ-CG 4.26Å; F38-L42 WeakPolarHBondContact O-CG 3.19Å; F38-L42 PolarHBondContact O-N 3.46Å; L39-L42 PolarHBondContact O-N 3.48Å; L42-S44 VanDerWaalsContact C-N 3.34Å; L42-S44 PolarHBondContact O-N 2.81Å; L42-M45 PolarHBondContact O-N 3.21Å; L42-V46 WeakPolarHBondContact O-CG2 3.34Å; L42-V46 PolarHBondContact O-N 3.39Å; L42-V180 HydrophobicContact CD2-CG2 4.4Å; L42-L325 HydrophobicContact CD2-CD1 3.6Å; L42-L325 HydrophobicContact CD2-CD2 3.85Å; L42-L325 HydrophobicContact CD2-CG 3.86Å |
| 43 | L | 51.1 | Low | 44.3 | Very low | 112 Ų | 112 | 104.7 Ų | 104.7 | 59% | 0.586 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.7 | -33 | 178.1 | -72.1 | 169.3 | 0 | 0 | 0 | 112.4 | L39 L41 M45 | L39-L43 HydrophobicContact CD2-CD1 4.43Å; L39-L43 HydrophobicContact CG-CD1 4.01Å; L39-L43 VanDerWaalsContact O-CB 3.29Å; L39-L43 WeakPolarHBondContact O-CB 3.37Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 2.96Å; L41-L43 VanDerWaalsContact C-N 3.34Å; L41-L43 PolarHBondContact O-N 2.84Å; L43-M45 VanDerWaalsContact C-N 3.32Å |
| 44 | S | 52.7 | Low | 44.3 | Very low | 87 Ų | 87 | 105.5 Ų | 105.5 | 61% | 0.608 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73.9 | -23 | 176.4 | 73.2 | 0 | 0 | 0 | 0 | 113.5 | N40 L41 L42 | N40-S44 WeakPolarHBondContact O-CB 3.22Å; N40-S44 PolarHBondContact O-N 2.94Å; N40-S44 PolarHBondContact O-OG 2.72Å; L41-S44 WeakPolarHBondContact CA-OG 3.44Å; L41-S44 PolarHBondContact O-N 3.18Å; L41-S44 VanDerWaalsContact O-N 3.14Å; L41-S44 PolarHBondContact O-OG 3.35Å; L42-S44 VanDerWaalsContact C-N 3.34Å; L42-S44 PolarHBondContact O-N 2.81Å |
| 45 | M | 48.1 | Very low | 44.1 | Very low | 31 Ų | 31 | 107.6 Ų | 107.6 | 15% | 0.153 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -87.7 | -11.7 | -179.8 | -73.2 | 173.9 | 171.8 | 0 | 0 | 113.5 | L41 L42 L43 P47 M179 M490 | L41-M45 HydrophobicContact CD1-CE 3.79Å; L41-M45 HydrophobicContact CD2-CE 3.86Å; L41-M45 HydrophobicContact CD2-SD 4.44Å; L41-M45 HydrophobicContact CG-CE 3.62Å; L41-M45 HydrophobicContact CG-SD 4.04Å; L41-M45 VanDerWaalsContact O-CG 3.29Å; L41-M45 WeakPolarHBondContact O-CG 3.45Å; L41-M45 PolarHBondContact O-N 2.87Å; L42-M45 PolarHBondContact O-N 3.21Å; L43-M45 VanDerWaalsContact C-N 3.32Å; M45-P47 VanDerWaalsContact O-CD 3.32Å; M45-P47 WeakPolarHBondContact O-CD 3.3Å; M45-M179 HydrophobicContact CE-CB 4.14Å; M45-M179 HydrophobicContact CE-SD 3.56Å; M45-M179 VanDerWaalsContact CE-SD 3.56Å; M45-M490 HydrophobicContact CE-CE 3.22Å; M45-M490 HydrophobicContact CE-SD 4.49Å; M45-M490 HydrophobicContact CG-CE 4.25Å |
| 46 | V | 41.6 | Very low | 43.8 | Very low | 57 Ų | 57 | 109.9 Ų | 109.9 | 35% | 0.345 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -85 | 116.2 | 176.6 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | L42 V48 F322 | L42-V46 WeakPolarHBondContact O-CG2 3.34Å; L42-V46 PolarHBondContact O-N 3.39Å; V46-V48 PolarHBondContact O-N 3.17Å; V46-V48 VanDerWaalsContact O-N 3.08Å; V46-F322 HydrophobicContact CG1-CE1 4.47Å; V46-F322 HydrophobicContact CG2-CE1 4.31Å |
| 47 | P | 37.5 | Very low | 43.3 | Very low | 69 Ų | 69 | 114.8 Ų | 114.8 | 45% | 0.448 | 56% | 0.564 | S | S | . | * | trans | -66.6 | 112.3 | 172.1 | 25 | -30.2 | 0 | 0 | 0 | 109.9 | M45 I49 L169 | M45-P47 VanDerWaalsContact O-CD 3.32Å; M45-P47 WeakPolarHBondContact O-CD 3.3Å; P47-I49 VanDerWaalsContact C-N 3.3Å; P47-I49 HydrophobicContact CB-CG1 4.4Å; P47-I49 PolarHBondContact O-N 3.01Å; P47-L169 HydrophobicContact CG-CD1 4.22Å | ||
| 48 | V | 38.3 | Very low | 42.7 | Very low | 128 Ų | 128 | 113.5 Ų | 113.5 | 78% | 0.776 | 56% | 0.56 | S | S | * | * | trans | -71.1 | 85.2 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | V46 Y50 | V46-V48 PolarHBondContact O-N 3.17Å; V46-V48 VanDerWaalsContact O-N 3.08Å; V48-Y50 PolarHBondContact O-N 3.25Å | ||
| 49 | I | 32.8 | Very low | 42.6 | Very low | 144 Ų | 144 | 120.8 Ų | 120.8 | 74% | 0.738 | 59% | 0.592 | S | S | * | * | trans | -94.6 | 73.5 | 168.9 | -54.2 | 175.7 | 0 | 0 | 0 | 107.8 | P47 | P47-I49 VanDerWaalsContact C-N 3.3Å; P47-I49 HydrophobicContact CB-CG1 4.4Å; P47-I49 PolarHBondContact O-N 3.01Å | ||
| 50 | Y | 30.6 | Very low | 42.2 | Very low | 216 Ų | 216 | 124.7 Ų | 124.7 | 85% | 0.847 | 61% | 0.606 | S | S | * | * | trans | -161.1 | 67.6 | 171 | -130.1 | -83.7 | 0 | 0 | 0 | 114.3 | V48 | V48-Y50 PolarHBondContact O-N 3.25Š| ||
| 51 | Q | 32.4 | Very low | 41.5 | Very low | 196 Ų | 196 | 122.8 Ų | 122.8 | 92% | 0.916 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -160 | 52.1 | 164.1 | -150.1 | 167.4 | -16.8 | 0 | 0 | 115.6 | ||
| 52 | K | 33.8 | Very low | 41 | Very low | 185 Ų | 185 | 127.8 Ų | 127.8 | 80% | 0.804 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -140.6 | -0.3 | 171.5 | -150.7 | 165.3 | -179.5 | 174.4 | 0 | 117.8 | ||
| 53 | N | 39.3 | Very low | 40.9 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 68% | 0.679 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -106.4 | 1.9 | -176.6 | -103.5 | -19.7 | 0 | 0 | 0 | 115.8 | ||
| 54 | Q | 39.6 | Very low | 40.4 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 75% | 0.752 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -93.9 | -27.5 | -178.9 | -130.3 | 175.4 | -5 | 0 | 0 | 113.4 | H58 | Q54-H58 PolarHBondContact O-CD2 2.86Š|
| 55 | E | 42.7 | Very low | 39.5 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.9 | -30.4 | 175.8 | -81.4 | -176.1 | 135.2 | 0 | 0 | 113.4 | H58 K59 | E55-H58 PolarHBondContact O-N 3.4Å; E55-K59 PolarHBondContact O-N 3.24Å |
| 56 | D | 43.2 | Very low | 38.8 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 54% | 0.54 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -76.7 | -22.7 | 178.9 | -78 | -21.1 | 0 | 0 | 0 | 113.2 | K60 | D56-K60 PolarHBondContact O-N 3.47Å |
| 57 | R | 40.4 | Very low | 38.5 | Very low | 192 Ų | 192 | 150 Ų | 150 | 73% | 0.725 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -76.6 | -31.2 | 172.3 | -73.2 | -167.1 | -159.8 | -173.8 | 5.4 | 113 | A61 | R57-A61 WeakPolarHBondContact O-CB 3.48Å; R57-A61 PolarHBondContact O-N 2.91Å |
| 58 | H | 41.3 | Very low | 38.1 | Very low | 139 Ų | 139 | 150.4 Ų | 150.4 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -77.4 | -24.5 | 175.7 | -83.1 | -72.4 | 0 | 0 | 0 | 113.2 | Q54 E55 | Q54-H58 PolarHBondContact O-CD2 2.86Å; E55-H58 PolarHBondContact O-N 3.4Å |
| 59 | K | 44.3 | Very low | 37.8 | Very low | 168 Ų | 168 | 152.6 Ų | 152.6 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -80.2 | -28 | 171.7 | -76.3 | -178.7 | 178.1 | 173.3 | 0 | 114 | E55 | E55-K59 PolarHBondContact O-N 3.24Å |
| 60 | K | 43 | Very low | 37.6 | Very low | 163 Ų | 163 | 150.5 Ų | 150.5 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -81.8 | -22 | 175.6 | -102.3 | 177.8 | 174.9 | 177 | 0 | 114.8 | D56 I64 | D56-K60 PolarHBondContact O-N 3.47Å; K60-I64 WeakPolarHBondContact O-CD1 3.42Å |
| 61 | A | 42.4 | Very low | 37.6 | Very low | 63 Ų | 63 | 147.3 Ų | 147.3 | 52% | 0.521 | 76% | 0.757 | S | S | . | * | H | α-helix | trans | -80.9 | -20.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | R57 | R57-A61 WeakPolarHBondContact O-CB 3.48Å; R57-A61 PolarHBondContact O-N 2.91Å |
| 62 | N | 43.1 | Very low | 37.6 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -104.2 | 4.8 | -177.9 | -78.3 | -5 | 0 | 0 | 0 | 114.6 | ||
| 63 | G | 40.7 | Very low | 37.4 | Very low | 61 Ų | 61 | 140.5 Ų | 140.5 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -111.9 | 3.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 64 | I | 39.8 | Very low | 36.9 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -121.5 | 47.4 | -170 | -48.9 | 177.8 | 0 | 0 | 0 | 110.4 | K60 | K60-I64 WeakPolarHBondContact O-CD1 3.42Š|
| 65 | W | 34.3 | Very low | 36.6 | Very low | 236 Ų | 236 | 141.6 Ų | 141.6 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -146.9 | 59.1 | 172 | -83.3 | 100 | 0 | 0 | 0 | 110.6 | ||
| 66 | Q | 33.3 | Very low | 36 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 168.1 | 100.2 | 160.2 | -102.4 | 159.3 | -17.6 | 0 | 0 | 106.8 | ||
| 67 | D | 34.9 | Very low | 35.1 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 94% | 0.936 | 78% | 0.777 | S | S | * | * | trans | 150.6 | 128.7 | 151.5 | -78.8 | -20.7 | 0 | 0 | 0 | 110.2 | ||||
| 68 | G | 30.6 | Very low | 34.7 | Very low | 77 Ų | 77 | 140.2 Ų | 140.2 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 113.5 | 35.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 69 | L | 30.8 | Very low | 34 | Very low | 174 Ų | 174 | 143.9 Ų | 143.9 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -74.9 | 126.7 | 151.7 | -132.8 | 96.7 | 0 | 0 | 0 | 107.5 | ||||
| 70 | S | 29.1 | Very low | 33.5 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | 105.6 | 138.3 | 173.3 | -45.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 71 | T | 31.6 | Very low | 32.8 | Very low | 150 Ų | 150 | 142 Ų | 142 | 92% | 0.92 | 79% | 0.794 | S | S | * | * | trans | 76.9 | 119.4 | -173.9 | 59.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 72 | A | 30.7 | Very low | 32.2 | Very low | 99 Ų | 99 | 148.7 Ų | 148.7 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | cis | -149.5 | 124.8 | 20.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 73 | V | 30.6 | Very low | 31.5 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | trans | -106.7 | 141.5 | 154.6 | 172.7 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 74 | Q | 29.3 | Very low | 31.1 | Very low | 181 Ų | 181 | 155.7 Ų | 155.7 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | 100.8 | 91.4 | 175.6 | -57.1 | -177.7 | -18.8 | 0 | 0 | 117.4 | ||||
| 75 | T | 32.2 | Very low | 30.5 | Very low | 130 Ų | 130 | 156.7 Ų | 156.7 | 80% | 0.798 | 83% | 0.83 | S | S | * | * | trans | -174.6 | 130.3 | 143.7 | -2.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 76 | F | 29.4 | Very low | 30.4 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | cis | -165.4 | 129.9 | -2.4 | -141.6 | -112.2 | 0 | 0 | 0 | 104.8 | ||||
| 77 | S | 25 | Very low | 30.2 | Very low | 111 Ų | 111 | 155.3 Ų | 155.3 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -101.4 | 125.3 | 166 | 174.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 78 | N | 33.1 | Very low | 29.8 | Very low | 132 Ų | 132 | 151.9 Ų | 151.9 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | -164.4 | 98.4 | 159.9 | -102 | -20.6 | 0 | 0 | 0 | 111.6 | ||||
| 79 | R | 26.7 | Very low | 29.8 | Very low | 216 Ų | 216 | 158.4 Ų | 158.4 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | 45.2 | 122.2 | 121 | -156.3 | 176.9 | -167.1 | 174.4 | 3.4 | 119.1 | |||||
| 80 | S | 32.4 | Very low | 29.6 | Very low | 120 Ų | 120 | 155 Ų | 155 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | -176.7 | 125.6 | 121.1 | -70.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 81 | E | 27.7 | Very low | 29.6 | Very low | 171 Ų | 171 | 158.1 Ų | 158.1 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -70.6 | 145.1 | 176.7 | -64.9 | 158.9 | 132.6 | 0 | 0 | 112.3 | ||||
| 82 | Q | 31.1 | Very low | 29.5 | Very low | 204 Ų | 204 | 158.8 Ų | 158.8 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | trans | -145.6 | 105.2 | 146.5 | -97.1 | -178.5 | -8.5 | 0 | 0 | 109.2 | ||||
| 83 | H | 27.6 | Very low | 29.3 | Very low | 177 Ų | 177 | 159 Ų | 159 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | trans | -81.7 | 135.9 | 168.9 | -118.7 | -98.2 | 0 | 0 | 0 | 109.2 | ||||
| 84 | M | 33.3 | Very low | 29.3 | Very low | 184 Ų | 184 | 162 Ų | 162 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -153.2 | 122 | 146.7 | -142.8 | 178 | 172.5 | 0 | 0 | 110.5 | ||||
| 85 | E | 26.7 | Very low | 29.3 | Very low | 152 Ų | 152 | 162.4 Ų | 162.4 | 71% | 0.71 | 81% | 0.807 | S | S | * | * | trans | -65.1 | 151.6 | 179.9 | -66.8 | 163.1 | 124.2 | 0 | 0 | 113.1 | ||||
| 86 | Y | 31.2 | Very low | 29.3 | Very low | 228 Ų | 228 | 160.8 Ų | 160.8 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | trans | -143.9 | 137.8 | 139.8 | -105.1 | -80.6 | 0 | 0 | 0 | 111.6 | ||||
| 87 | H | 30.5 | Very low | 29.4 | Very low | 160 Ų | 160 | 159.2 Ų | 159.2 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -62.1 | 149.1 | -160.3 | -85.6 | -94.2 | 0 | 0 | 0 | 118.6 | ||||
| 88 | S | 25.6 | Very low | 29.9 | Very low | 103 Ų | 103 | 161 Ų | 161 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -62 | 140.6 | 154.8 | 54 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 89 | F | 30.4 | Very low | 29.8 | Very low | 214 Ų | 214 | 157.8 Ų | 157.8 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | trans | -131.1 | 123.7 | 152.8 | -119 | -90.4 | 0 | 0 | 0 | 108.8 | ||||
| 90 | S | 27.7 | Very low | 30.2 | Very low | 102 Ų | 102 | 157.2 Ų | 157.2 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | -109.7 | 162.3 | 174.5 | 178.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 91 | E | 28.4 | Very low | 30 | Very low | 167 Ų | 167 | 156.2 Ų | 156.2 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | trans | 85.1 | 132.6 | 175.6 | -59.8 | -171.5 | 149 | 0 | 0 | 115.1 | ||||
| 92 | Q | 29.9 | Very low | 30.3 | Very low | 164 Ų | 164 | 153.4 Ų | 153.4 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | cis | -161.2 | 145 | 44.7 | -133.3 | 156.6 | 35.3 | 0 | 0 | 112.2 | ||||
| 93 | S | 25.7 | Very low | 30.3 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -72.1 | 137.2 | 172.1 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 94 | F | 31.9 | Very low | 30.5 | Very low | 201 Ų | 201 | 147 Ų | 147 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | -152.5 | 126.8 | 151.8 | -100.1 | -77.4 | 0 | 0 | 0 | 112.8 | ||||
| 95 | H | 28.9 | Very low | 30.2 | Very low | 190 Ų | 190 | 145 Ų | 145 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | -64.2 | 145.5 | 171.8 | -85 | -88.4 | 0 | 0 | 0 | 113.4 | ||||
| 96 | A | 32.9 | Very low | 30.2 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | -179.8 | 110.5 | 127 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 97 | N | 31.1 | Very low | 30.1 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | 22.8 | 121.8 | 137.1 | -114.1 | 9.1 | 0 | 0 | 0 | 121.7 | ||||
| 98 | N | 34.5 | Very low | 30 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | 164.4 | 129 | 100.3 | -93.2 | -16.8 | 0 | 0 | 0 | 113.6 | |||||
| 99 | G | 31.5 | Very low | 30.2 | Very low | 65 Ų | 65 | 146.6 Ų | 146.6 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | trans | 92 | 93.1 | 132.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 100 | H | 35 | Very low | 30.1 | Very low | 204 Ų | 204 | 143.7 Ų | 143.7 | 94% | 0.944 | 81% | 0.809 | S | S | * | * | 172.4 | 128.4 | 103.5 | -96.4 | -71.5 | 0 | 0 | 0 | 110.8 | |||||
| 101 | A | 29.3 | Very low | 30.3 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -115.5 | 145 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 102 | S | 32.9 | Very low | 30.2 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -171.3 | 93.8 | 148.1 | 54.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 103 | S | 31.8 | Very low | 30.2 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | 104.1 | 92.1 | 85 | 67.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 104 | S | 31.6 | Very low | 30.4 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 88% | 0.881 | 82% | 0.823 | S | S | * | * | trans | -112.4 | 123.5 | 159.3 | 60.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 105 | C | 27.3 | Very low | 30.2 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 95% | 0.953 | 82% | 0.824 | S | S | * | * | trans | -88.6 | 133.7 | -174.5 | -148.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 106 | S | 26.7 | Very low | 30.2 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 66% | 0.664 | 82% | 0.818 | S | S | * | * | trans | -114.7 | 146.8 | 173.6 | 178.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 107 | Q | 28.8 | Very low | 29.9 | Very low | 173 Ų | 173 | 153 Ų | 153 | 81% | 0.808 | 82% | 0.823 | S | S | * | * | trans | 64.8 | 116 | 164.7 | -74 | 173.3 | -6.5 | 0 | 0 | 118.2 | ||||
| 108 | K | 29.2 | Very low | 29.8 | Very low | 195 Ų | 195 | 151.6 Ų | 151.6 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | 172.2 | 149.4 | 91.7 | -122 | 170.3 | 177.6 | 174.8 | 0 | 110.6 | D110 | K108-D110 PolarHBondContact O-N 2.98Š| |||
| 109 | Y | 27.9 | Very low | 29.5 | Very low | 215 Ų | 215 | 152 Ų | 152 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -46.3 | 124.3 | 158.4 | -80.3 | -104.4 | 0 | 0 | 0 | 109.5 | ||||
| 110 | D | 29.4 | Very low | 29.3 | Very low | 153 Ų | 153 | 151.9 Ų | 151.9 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | 172.1 | 129.4 | 131.6 | -81.7 | -25.6 | 0 | 0 | 0 | 110.7 | K108 | K108-D110 PolarHBondContact O-N 2.98Š| ||
| 111 | D | 30.9 | Very low | 29.1 | Very low | 154 Ų | 154 | 153.6 Ų | 153.6 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | trans | 71.9 | 145.4 | 146.3 | -108 | -23.1 | 0 | 0 | 0 | 123.6 | ||||
| 112 | Y | 28.2 | Very low | 29.3 | Very low | 223 Ų | 223 | 156.6 Ų | 156.6 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | trans | -55 | 148.8 | -172.7 | -87.6 | -110.4 | 0 | 0 | 0 | 115 | ||||
| 113 | A | 29 | Very low | 29.4 | Very low | 95 Ų | 95 | 156 Ų | 156 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | 81.3 | 90.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 114 | N | 29.5 | Very low | 30.1 | Very low | 148 Ų | 148 | 151.4 Ų | 151.4 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -158.4 | 108.9 | 130.8 | -144.9 | -2.5 | 0 | 0 | 0 | 111.4 | N116 | N114-N116 PolarHBondContact O-N 3.19Š| ||
| 115 | Y | 27.6 | Very low | 30.8 | Very low | 230 Ų | 230 | 146.2 Ų | 146.2 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -78.9 | 108.2 | 167.5 | -81.3 | -89.8 | 0 | 0 | 0 | 107.9 | ||||
| 116 | N | 29 | Very low | 31.7 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | trans | -111.7 | 113.5 | 165.7 | -123.8 | -2.1 | 0 | 0 | 0 | 109.4 | N114 C118 | N114-N116 PolarHBondContact O-N 3.19Å; N116-C118 PolarHBondContact O-N 3.34Å | ||
| 117 | Y | 26.2 | Very low | 32.7 | Very low | 226 Ų | 226 | 138 Ų | 138 | 89% | 0.886 | 68% | 0.683 | S | S | * | * | trans | -77.2 | 99.6 | -178.3 | -162.8 | -92.1 | 0 | 0 | 0 | 108.4 | ||||
| 118 | C | 29.4 | Very low | 33.7 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 80% | 0.797 | 65% | 0.652 | S | S | * | * | trans | -106.5 | 117.4 | 169.4 | -73.5 | 0 | 0 | 0 | 0 | 109.5 | N116 G120 | N116-C118 PolarHBondContact O-N 3.34Å; C118-G120 PolarHBondContact O-N 3.2Å | ||
| 119 | D | 27.9 | Very low | 34.3 | Very low | 157 Ų | 157 | 123.4 Ų | 123.4 | 84% | 0.84 | 62% | 0.622 | S | S | * | * | trans | -29.6 | 110.5 | 179 | -153.8 | 6.2 | 0 | 0 | 0 | 114.7 | R121 | D119-R121 PolarHBondContact O-N 3.12Å; D119-R121 VanDerWaalsContact O-N 3.17Å | ||
| 120 | G | 28 | Very low | 35.2 | Very low | 64 Ų | 64 | 118 Ų | 118 | 66% | 0.66 | 61% | 0.607 | S | S | * | * | trans | -76.7 | 98.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111 | C118 E122 | C118-G120 PolarHBondContact O-N 3.2Å; G120-E122 PolarHBondContact O-N 2.67Å | ||
| 121 | R | 30.8 | Very low | 35.7 | Very low | 240 Ų | 240 | 116.2 Ų | 116.2 | 91% | 0.906 | 59% | 0.593 | S | S | * | * | trans | -45.9 | 112.5 | 156.6 | -167 | 174.9 | -172.5 | 162.3 | -0.7 | 107.6 | D119 T123 | D119-R121 PolarHBondContact O-N 3.12Å; D119-R121 VanDerWaalsContact O-N 3.17Å; R121-T123 PolarHBondContact O-N 3.32Å | ||
| 122 | E | 33 | Very low | 36.3 | Very low | 161 Ų | 161 | 114.5 Ų | 114.5 | 75% | 0.752 | 59% | 0.585 | S | S | * | * | trans | -40.9 | 112.9 | -176.6 | -71 | 178.4 | 154.5 | 0 | 0 | 110 | G120 S124 | G120-E122 PolarHBondContact O-N 2.67Å; E122-S124 PolarHBondContact O-N 2.83Å | ||
| 123 | T | 35.1 | Very low | 36.9 | Very low | 100 Ų | 100 | 112 Ų | 112 | 61% | 0.613 | 58% | 0.581 | S | S | * | * | trans | -59.7 | 103.8 | 176 | 28.9 | 0 | 0 | 0 | 0 | 108 | R121 | R121-T123 PolarHBondContact O-N 3.32Š| ||
| 124 | S | 47.4 | Very low | 37.2 | Very low | 23 Ų | 23 | 114.2 Ų | 114.2 | 16% | 0.161 | 58% | 0.579 | C | S | . | * | trans | -58.5 | 141.5 | -175.3 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | E122 T126 T127 A128 | E122-S124 PolarHBondContact O-N 2.83Å; S124-T126 WeakPolarHBondContact CB-OG1 3.43Å; S124-T126 PolarHBondContact O-N 3.46Å; S124-T126 VanDerWaalsContact O-N 3.1Å; S124-T126 PolarHBondContact OG-OG1 2.88Å; S124-T127 WeakPolarHBondContact O-CA 3.28Å; S124-T127 WeakPolarHBondContact O-CB 3.27Å; S124-T127 PolarHBondContact O-N 3.46Å; S124-A128 PolarHBondContact O-N 3.4Å; S124-A128 VanDerWaalsContact O-N 3.1Å | ||
| 125 | E | 45.9 | Very low | 37.5 | Very low | 18 Ų | 18 | 113.2 Ų | 113.2 | 8% | 0.084 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -23 | -60.4 | 162.4 | 52.3 | 120.8 | 130.3 | 0 | 0 | 112.9 | A128 M129 T375 V376 S536 | E125-A128 PolarHBondContact O-N 2.9Å; E125-M129 WeakPolarHBondContact O-CG 3.3Å; E125-M129 PolarHBondContact O-N 3.09Å; E125-T375 HydrophobicContact CB-CG2 4.21Å; E125-T375 HydrophobicContact CG-CG2 3.99Å; E125-V376 WeakPolarHBondContact OE1-CG2 3.42Å; E125-S536 WeakPolarHBondContact OE2-CB 3.24Å; E125-S536 PolarHBondContact OE2-OG 2.94Å |
| 126 | T | 45.1 | Very low | 37.6 | Very low | 16 Ų | 16 | 107.7 Ų | 107.7 | 10% | 0.098 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -63 | -43.2 | -177.9 | 46.5 | 0 | 0 | 0 | 0 | 113.3 | S124 A128 M129 L130 H437 | S124-T126 WeakPolarHBondContact CB-OG1 3.43Å; S124-T126 PolarHBondContact O-N 3.46Å; S124-T126 VanDerWaalsContact O-N 3.1Å; S124-T126 PolarHBondContact OG-OG1 2.88Å; T126-A128 VanDerWaalsContact C-N 3.34Å; T126-A128 PolarHBondContact O-N 3.04Å; T126-M129 CarbonylContact O-C 3.59Å; T126-M129 PolarHBondContact O-N 2.95Å; T126-L130 VanDerWaalsContact O-CB 3.31Å; T126-L130 WeakPolarHBondContact O-CB 3.23Å; T126-L130 WeakPolarHBondContact O-CD1 3.49Å; T126-L130 WeakPolarHBondContact O-CG 3.38Å; T126-L130 PolarHBondContact O-N 3.25Å; T126-H437 WeakPolarHBondContact CG2-CE1 3.15Å |
| 127 | T | 47.6 | Very low | 37.7 | Very low | 46 Ų | 46 | 106.6 Ų | 106.6 | 28% | 0.282 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.2 | -42.6 | 179.5 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | S124 M129 L130 Q131 | S124-T127 WeakPolarHBondContact O-CA 3.28Å; S124-T127 WeakPolarHBondContact O-CB 3.27Å; S124-T127 PolarHBondContact O-N 3.46Å; T127-M129 VanDerWaalsContact C-N 3.34Å; T127-M129 PolarHBondContact O-N 2.91Å; T127-L130 PolarHBondContact O-N 3.22Å; T127-L130 VanDerWaalsContact O-N 3.09Å; T127-Q131 HydrophobicContact CG2-CG 3.77Å; T127-Q131 WeakPolarHBondContact O-CB 3.27Å; T127-Q131 VanDerWaalsContact O-CG 3.32Å; T127-Q131 WeakPolarHBondContact O-CG 3.44Å; T127-Q131 PolarHBondContact O-N 3.42Å |
| 128 | A | 50 | Low | 38 | Very low | 21 Ų | 21 | 103.9 Ų | 103.9 | 17% | 0.174 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -68.9 | -30.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S124 E125 T126 L130 | S124-A128 PolarHBondContact O-N 3.4Å; S124-A128 VanDerWaalsContact O-N 3.1Å; E125-A128 PolarHBondContact O-N 2.9Å; T126-A128 VanDerWaalsContact C-N 3.34Å; T126-A128 PolarHBondContact O-N 3.04Å; A128-L130 VanDerWaalsContact C-N 3.29Å |
| 129 | M | 43.1 | Very low | 38.2 | Very low | 42 Ų | 42 | 101.3 Ų | 101.3 | 21% | 0.207 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -70.6 | -25.3 | 170 | -72.9 | -159.6 | -61.5 | 0 | 0 | 112.6 | E125 T126 T127 T220 K226 A372 | E125-M129 WeakPolarHBondContact O-CG 3.3Å; E125-M129 PolarHBondContact O-N 3.09Å; T126-M129 CarbonylContact O-C 3.59Å; T126-M129 PolarHBondContact O-N 2.95Å; T127-M129 VanDerWaalsContact C-N 3.34Å; T127-M129 PolarHBondContact O-N 2.91Å; M129-T220 HydrophobicContact CE-CG2 4.32Å; M129-K226 WeakPolarHBondContact O-CD 3.16Å; M129-K226 WeakPolarHBondContact O-CE 3.47Å; M129-K226 PolarHBondContact O-NZ 3.45Å; M129-A372 HydrophobicContact CG-CB 4.25Å |
| 130 | L | 46.4 | Very low | 38.4 | Very low | 102 Ų | 102 | 101.7 Ų | 101.7 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -94.7 | -35.4 | -176.3 | -69.2 | 168 | 0 | 0 | 0 | 113.5 | T126 T127 A128 D132 K226 | T126-L130 VanDerWaalsContact O-CB 3.31Å; T126-L130 WeakPolarHBondContact O-CB 3.23Å; T126-L130 WeakPolarHBondContact O-CD1 3.49Å; T126-L130 WeakPolarHBondContact O-CG 3.38Å; T126-L130 PolarHBondContact O-N 3.25Å; T127-L130 PolarHBondContact O-N 3.22Å; T127-L130 VanDerWaalsContact O-N 3.09Å; A128-L130 VanDerWaalsContact C-N 3.29Å; L130-D132 PolarHBondContact O-N 3.05Å; L130-K226 PolarHBondContact O-NZ 3.09Å |
| 131 | Q | 40.5 | Very low | 38.6 | Very low | 114 Ų | 114 | 107.7 Ų | 107.7 | 53% | 0.533 | 58% | 0.584 | S | S | . | * | trans | -79.2 | 12 | -164 | -86.2 | -175.8 | -17.1 | 0 | 0 | 119 | T127 E133 | T127-Q131 HydrophobicContact CG2-CG 3.77Å; T127-Q131 WeakPolarHBondContact O-CB 3.27Å; T127-Q131 VanDerWaalsContact O-CG 3.32Å; T127-Q131 WeakPolarHBondContact O-CG 3.44Å; T127-Q131 PolarHBondContact O-N 3.42Å; Q131-E133 PolarHBondContact O-N 2.98Å | ||
| 132 | D | 43.4 | Very low | 38.6 | Very low | 119 Ų | 119 | 104 Ų | 104 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 11.1 | -179.4 | -119.9 | -4 | 0 | 0 | 0 | 114.6 | L130 | L130-D132 PolarHBondContact O-N 3.05Š|
| 133 | E | 40.4 | Very low | 38.4 | Very low | 171 Ų | 171 | 100.6 Ų | 100.6 | 80% | 0.799 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | 4.5 | -178 | -75.7 | -165.4 | 132.1 | 0 | 0 | 116.9 | Q131 V135 | Q131-E133 PolarHBondContact O-N 2.98Å; E133-V135 VanDerWaalsContact C-N 3.3Å; E133-V135 PolarHBondContact O-N 3.4Å |
| 134 | D | 35 | Very low | 38.1 | Very low | 141 Ų | 141 | 104 Ų | 104 | 75% | 0.754 | 59% | 0.594 | S | S | * | * | trans | -87.4 | 67.1 | 178.8 | -69.5 | -32.7 | 0 | 0 | 0 | 112.5 | ||||
| 135 | V | 35.7 | Very low | 37.3 | Very low | 127 Ų | 127 | 108.4 Ų | 108.4 | 77% | 0.77 | 62% | 0.62 | S | S | * | * | trans | -132.2 | 112 | 161.4 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | E133 | E133-V135 VanDerWaalsContact C-N 3.3Å; E133-V135 PolarHBondContact O-N 3.4Å | ||
| 136 | S | 29.7 | Very low | 36.6 | Very low | 114 Ų | 114 | 115.5 Ų | 115.5 | 80% | 0.797 | 65% | 0.653 | S | S | * | * | trans | 71.3 | 98.4 | 164.3 | 66 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 137 | S | 32 | Very low | 35.9 | Very low | 118 Ų | 118 | 120.6 Ų | 120.6 | 83% | 0.825 | 68% | 0.684 | S | S | * | * | -166.2 | 115.6 | 121.8 | -160.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 138 | D | 32.2 | Very low | 35.4 | Very low | 169 Ų | 169 | 122.1 Ų | 122.1 | 90% | 0.904 | 69% | 0.693 | S | S | * | * | trans | -55.4 | 141.7 | 150 | -82 | -41.9 | 0 | 0 | 0 | 108.7 | ||||
| 139 | G | 32.9 | Very low | 34.8 | Very low | 65 Ų | 65 | 125.2 Ų | 125.2 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | trans | 145.3 | 103.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 140 | D | 32.8 | Very low | 34.5 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | trans | 68.8 | 98.9 | 152.4 | -58.2 | -21.9 | 0 | 0 | 0 | 119 | D142 | D140-D142 PolarHBondContact O-N 3.47Å; D140-D142 VanDerWaalsContact O-N 3.1Å | ||
| 141 | E | 31.1 | Very low | 34.7 | Very low | 191 Ų | 191 | 132.2 Ų | 132.2 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -53.3 | 100.5 | 150.3 | -65 | 178.7 | 134.4 | 0 | 0 | 109.5 | ||||
| 142 | D | 30.6 | Very low | 35 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | trans | -172.8 | 128.8 | 147.5 | -91.6 | -31.1 | 0 | 0 | 0 | 110.8 | D140 | D140-D142 PolarHBondContact O-N 3.47Å; D140-D142 VanDerWaalsContact O-N 3.1Å | ||
| 143 | A | 29.6 | Very low | 35.7 | Very low | 89 Ų | 89 | 135.3 Ų | 135.3 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | 74.9 | 71.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | V145 | A143-V145 PolarHBondContact O-N 2.98Š| ||
| 144 | I | 29.2 | Very low | 36.7 | Very low | 171 Ų | 171 | 130.7 Ų | 130.7 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | trans | -71.1 | 85.3 | 152.8 | -53.1 | 174.6 | 0 | 0 | 0 | 107.7 | E146 | I144-E146 PolarHBondContact O-N 2.91Š| ||
| 145 | V | 31.1 | Very low | 38.6 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 70% | 0.697 | 73% | 0.725 | S | S | * | * | trans | -74.5 | 99.6 | 162.1 | 179.4 | 0 | 0 | 0 | 0 | 106.3 | A143 V147 | A143-V145 PolarHBondContact O-N 2.98Å; V145-V147 VanDerWaalsContact C-N 3.28Å; V145-V147 HydrophobicContact CG1-CG2 3.88Å; V145-V147 PolarHBondContact O-N 3.07Å | ||
| 146 | E | 29.8 | Very low | 40.5 | Very low | 168 Ų | 168 | 123.8 Ų | 123.8 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | -63.5 | 86.8 | 172.7 | -142.8 | -178.6 | -168.9 | 0 | 0 | 109 | I144 T148 | I144-E146 PolarHBondContact O-N 2.91Å; E146-T148 VanDerWaalsContact C-N 3.26Å; E146-T148 PolarHBondContact O-N 3.4Å | ||
| 147 | V | 31.2 | Very low | 42.8 | Very low | 122 Ų | 122 | 120.7 Ų | 120.7 | 74% | 0.739 | 69% | 0.69 | S | S | * | * | trans | -80.3 | 78.5 | 172.7 | -175.6 | 0 | 0 | 0 | 0 | 107.6 | V145 P149 | V145-V147 VanDerWaalsContact C-N 3.28Å; V145-V147 HydrophobicContact CG1-CG2 3.88Å; V145-V147 PolarHBondContact O-N 3.07Å; V147-P149 VanDerWaalsContact O-CD 3.28Å; V147-P149 WeakPolarHBondContact O-CD 3.21Å | ||
| 148 | T | 35.7 | Very low | 45.1 | Very low | 79 Ų | 79 | 119.5 Ų | 119.5 | 49% | 0.485 | 67% | 0.674 | S | S | . | * | trans | -71.6 | 116.2 | 166 | -20.6 | 0 | 0 | 0 | 0 | 107.8 | E146 K150 | E146-T148 VanDerWaalsContact C-N 3.26Å; E146-T148 PolarHBondContact O-N 3.4Å; T148-K150 PolarHBondContact O-N 2.65Å | ||
| 149 | P | 38.6 | Very low | 47.2 | Very low | 85 Ų | 85 | 111.6 Ų | 111.6 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | trans | -69.5 | 102.9 | 176.4 | 26.2 | -28.1 | 0 | 0 | 0 | 108.6 | V147 L151 L438 | V147-P149 VanDerWaalsContact O-CD 3.28Å; V147-P149 WeakPolarHBondContact O-CD 3.21Å; P149-L151 PolarHBondContact O-N 2.94Å; P149-L438 HydrophobicContact CG-CD2 4.11Å | ||
| 150 | K | 37.7 | Very low | 49.5 | Very low | 191 Ų | 191 | 109.9 Ų | 109.9 | 83% | 0.83 | 61% | 0.611 | S | S | * | * | trans | -61.6 | 106.1 | 171.7 | -71.4 | 178.3 | 180 | 171.9 | 0 | 108.5 | T148 P152 | T148-K150 PolarHBondContact O-N 2.65Å; K150-P152 WeakPolarHBondContact O-CD 3.45Å | ||
| 151 | L | 48.9 | Very low | 51.8 | Low | 101 Ų | 101 | 107.9 Ų | 107.9 | 53% | 0.529 | 60% | 0.6 | S | S | . | * | trans | -57.2 | 123 | 171.2 | -152.6 | 79.3 | 0 | 0 | 0 | 107.8 | P149 K153 L438 | P149-L151 PolarHBondContact O-N 2.94Å; L151-K153 PolarHBondContact O-N 2.83Å; L151-L438 HydrophobicContact CB-CD1 4.3Å; L151-L438 HydrophobicContact CD1-CD1 3.89Å; L151-L438 HydrophobicContact CG-CD1 4.49Å | ||
| 152 | P | 48.2 | Very low | 54 | Low | 103 Ų | 103 | 102.1 Ų | 102.1 | 67% | 0.669 | 57% | 0.573 | S | S | * | * | trans | -58.8 | 127.5 | 179 | 21.4 | -30 | 0 | 0 | 0 | 108.5 | K150 E154 | K150-P152 WeakPolarHBondContact O-CD 3.45Å; P152-E154 PolarHBondContact O-N 2.89Å | ||
| 153 | K | 56.6 | Low | 56.4 | Low | 195 Ų | 195 | 94.9 Ų | 94.9 | 85% | 0.848 | 53% | 0.534 | S | S | * | . | trans | -57.6 | 100.9 | 175 | -75 | -179.1 | 179 | 176.2 | 0 | 108.4 | L151 S155 | L151-K153 PolarHBondContact O-N 2.83Å; K153-S155 PolarHBondContact O-N 3.19Å | ||
| 154 | E | 62.9 | Low | 59.1 | Low | 73 Ų | 73 | 93.7 Ų | 93.7 | 34% | 0.341 | 52% | 0.515 | S | S | . | . | trans | -65 | 132.1 | 176.1 | -65 | -171.3 | 144.2 | 0 | 0 | 109.5 | P152 R431 | P152-E154 PolarHBondContact O-N 2.89Å; E154-R431 IonicContact OE2-CZ 3.29Å; E154-R431 IonicContact OE2-NH1 3.56Å; E154-R431 PolarHBondContact OE2-NH1 3.3Å; E154-R431 IonicContact OE2-NH2 2.89Å; E154-R431 PolarHBondContact OE2-NH2 3.22Å | ||
| 155 | S | 74.8 | Confident | 61.8 | Low | 75 Ų | 75 | 90.3 Ų | 90.3 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | trans | -66.2 | 139.9 | 168.4 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | K153 G157 I158 M159 | K153-S155 PolarHBondContact O-N 3.19Å; S155-G157 PolarHBondContact O-N 2.81Å; S155-G157 VanDerWaalsContact O-N 3.13Å; S155-I158 PolarHBondContact O-N 3.08Å; S155-M159 PolarHBondContact O-N 3.14Å | ||
| 156 | S | 75.8 | Confident | 64.2 | Low | 49 Ų | 49 | 85.6 Ų | 85.6 | 34% | 0.343 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -51.5 | -38 | 179.3 | 176.2 | 0 | 0 | 0 | 0 | 112.6 | M159 A160 V471 | S156-M159 PolarHBondContact O-N 3.19Å; S156-A160 WeakPolarHBondContact O-CB 3.27Å; S156-A160 PolarHBondContact O-N 3.24Å; S156-V471 WeakPolarHBondContact OG-CG2 3.39Å |
| 157 | G | 76.9 | Confident | 66.9 | Low | 49 Ų | 49 | 78.1 Ų | 78.1 | 51% | 0.505 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69 | -33.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S155 L161 | S155-G157 PolarHBondContact O-N 2.81Å; S155-G157 VanDerWaalsContact O-N 3.13Å; G157-L161 WeakPolarHBondContact O-CB 2.94Å; G157-L161 PolarHBondContact O-N 3.43Å |
| 158 | I | 79.5 | Confident | 69.8 | Low | 92 Ų | 92 | 74.1 Ų | 74.1 | 47% | 0.472 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.2 | -45.1 | 176.5 | -63.6 | 174.1 | 0 | 0 | 0 | 109.3 | S155 A160 L161 Q162 | S155-I158 PolarHBondContact O-N 3.08Å; I158-A160 VanDerWaalsContact C-N 3.35Å; I158-A160 PolarHBondContact O-N 2.9Å; I158-L161 PolarHBondContact O-N 3.46Å; I158-Q162 HydrophobicContact CG2-CG 4.34Å; I158-Q162 WeakPolarHBondContact O-CB 3.19Å; I158-Q162 WeakPolarHBondContact O-CG 3.32Å; I158-Q162 PolarHBondContact O-N 3.45Å |
| 159 | M | 77.7 | Confident | 72.3 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.02 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 174.7 | 173.6 | 176.4 | 62.7 | 0 | 0 | 111.3 | S155 S156 L161 Q162 I163 R431 V471 | S155-M159 PolarHBondContact O-N 3.14Å; S156-M159 PolarHBondContact O-N 3.19Å; M159-L161 VanDerWaalsContact C-N 3.35Å; M159-L161 PolarHBondContact O-N 2.94Å; M159-Q162 PolarHBondContact O-N 3.01Å; M159-I163 HydrophobicContact CG-CD1 3.59Å; M159-I163 HydrophobicContact CG-CG1 4.46Å; M159-I163 WeakPolarHBondContact O-CB 3.43Å; M159-I163 VanDerWaalsContact O-CG1 3.28Å; M159-I163 WeakPolarHBondContact O-CG1 3.15Å; M159-I163 PolarHBondContact O-N 3.25Å; M159-I163 HydrophobicContact SD-CD1 4.47Å; M159-R431 VanDerWaalsContact CG-NH1 3.29Å; M159-R431 PolarHBondContact SD-NH1 3.34Å; M159-R431 PolarHBondContact SD-NH2 3.48Å; M159-V471 HydrophobicContact CE-CB 3.64Å; M159-V471 HydrophobicContact CE-CG1 4.14Å; M159-V471 HydrophobicContact CE-CG2 3.43Å; M159-V471 VanDerWaalsContact CE-CG2 3.43Å |
| 160 | A | 80.2 | Confident | 74.7 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 23% | 0.231 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S156 I158 I163 L164 V471 | S156-A160 WeakPolarHBondContact O-CB 3.27Å; S156-A160 PolarHBondContact O-N 3.24Å; I158-A160 VanDerWaalsContact C-N 3.35Å; I158-A160 PolarHBondContact O-N 2.9Å; A160-I163 PolarHBondContact O-N 3.2Å; A160-L164 WeakPolarHBondContact O-CB 3.17Å; A160-L164 PolarHBondContact O-N 2.9Å; A160-V471 HydrophobicContact CB-CG1 3.71Å |
| 161 | L | 80.9 | Confident | 77.3 | Confident | 123 Ų | 123 | 59.8 Ų | 59.8 | 64% | 0.644 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.5 | -39.6 | 179.3 | -174.7 | 65.6 | 0 | 0 | 0 | 112.4 | G157 I158 M159 | G157-L161 WeakPolarHBondContact O-CB 2.94Å; G157-L161 PolarHBondContact O-N 3.43Å; I158-L161 PolarHBondContact O-N 3.46Å; M159-L161 VanDerWaalsContact C-N 3.35Å; M159-L161 PolarHBondContact O-N 2.94Å |
| 162 | Q | 78.8 | Confident | 79.4 | Confident | 70 Ų | 70 | 58.5 Ų | 58.5 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 177.6 | -74.4 | -179.2 | 4.9 | 0 | 0 | 112.2 | I158 M159 P166 N313 | I158-Q162 HydrophobicContact CG2-CG 4.34Å; I158-Q162 WeakPolarHBondContact O-CB 3.19Å; I158-Q162 WeakPolarHBondContact O-CG 3.32Å; I158-Q162 PolarHBondContact O-N 3.45Å; M159-Q162 PolarHBondContact O-N 3.01Å; Q162-P166 WeakPolarHBondContact O-CD 3.39Å; Q162-P166 VanDerWaalsContact O-CG 3.28Å; Q162-P166 WeakPolarHBondContact O-CG 3.49Å; Q162-N313 PolarHBondContact OE1-ND2 2.89Å; Q162-N313 VanDerWaalsContact OE1-ND2 3.14Å |
| 163 | I | 80.7 | Confident | 81.5 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -78.9 | -32.3 | -179.6 | -65.1 | 169.7 | 0 | 0 | 0 | 111.3 | M159 A160 V165 P166 F167 I427 L472 L475 | M159-I163 HydrophobicContact CG-CD1 3.59Å; M159-I163 HydrophobicContact CG-CG1 4.46Å; M159-I163 WeakPolarHBondContact O-CB 3.43Å; M159-I163 VanDerWaalsContact O-CG1 3.28Å; M159-I163 WeakPolarHBondContact O-CG1 3.15Å; M159-I163 PolarHBondContact O-N 3.25Å; M159-I163 HydrophobicContact SD-CD1 4.47Å; A160-I163 PolarHBondContact O-N 3.2Å; I163-V165 PolarHBondContact O-N 3.09Å; I163-P166 WeakPolarHBondContact O-CD 3.39Å; I163-F167 HydrophobicContact CG2-CB 4.28Å; I163-F167 WeakPolarHBondContact O-CB 3.41Å; I163-F167 PolarHBondContact O-N 2.8Å; I163-I427 HydrophobicContact CD1-CG2 4.33Å; I163-I427 HydrophobicContact CG2-CD1 4.33Å; I163-L472 HydrophobicContact CD1-CD2 4.08Å; I163-L472 HydrophobicContact CG2-CD2 4.24Å; I163-L475 HydrophobicContact CB-CD1 4.28Å; I163-L475 HydrophobicContact CG2-CD1 3.72Å |
| 164 | L | 85.9 | Confident | 83.2 | Confident | 64 Ų | 64 | 44.6 Ų | 44.6 | 34% | 0.335 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.5 | -49.2 | -172.7 | 178.6 | 65 | 0 | 0 | 0 | 113.6 | A160 F167 L168 L475 | A160-L164 WeakPolarHBondContact O-CB 3.17Å; A160-L164 PolarHBondContact O-N 2.9Å; L164-F167 PolarHBondContact O-N 3.15Å; L164-L168 HydrophobicContact CD1-CD1 4.09Å; L164-L168 HydrophobicContact CD1-CG 4.16Å; L164-L168 HydrophobicContact CG-CD1 4.19Å; L164-L168 WeakPolarHBondContact O-CG 3.12Å; L164-L168 PolarHBondContact O-N 3.46Å; L164-L475 HydrophobicContact CD1-CD2 3.93Å |
| 165 | V | 85 | Confident | 84.7 | Confident | 100 Ų | 100 | 41.2 Ų | 41.2 | 61% | 0.606 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -66.8 | -50.9 | -177 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | I163 F167 L168 L169 | I163-V165 PolarHBondContact O-N 3.09Å; V165-F167 VanDerWaalsContact C-N 3.29Å; V165-F167 PolarHBondContact O-N 3.42Å; V165-L168 PolarHBondContact O-N 2.92Å; V165-L169 PolarHBondContact O-N 3.4Å |
| 166 | P | 82 | Confident | 85.5 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.8 | -38.9 | 173.6 | -23 | 33.1 | 0 | 0 | 0 | 113 | Q162 I163 L169 A170 N313 P317 | Q162-P166 WeakPolarHBondContact O-CD 3.39Å; Q162-P166 VanDerWaalsContact O-CG 3.28Å; Q162-P166 WeakPolarHBondContact O-CG 3.49Å; I163-P166 WeakPolarHBondContact O-CD 3.39Å; P166-L169 PolarHBondContact O-N 3.28Å; P166-A170 WeakPolarHBondContact O-CB 3.41Å; P166-A170 PolarHBondContact O-N 2.93Å; P166-N313 WeakPolarHBondContact CG-O 3.5Å; P166-P317 HydrophobicContact CB-CB 3.32Å; P166-P317 HydrophobicContact CB-CG 3.39Å; P166-P317 VanDerWaalsContact O-CB 3.23Å; P166-P317 WeakPolarHBondContact O-CB 3.45Å |
| 167 | F | 87.1 | Confident | 86.4 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 176.5 | 168.8 | -97.6 | 0 | 0 | 0 | 112.8 | I163 L164 V165 L169 A170 G171 I420 L424 L475 F483 | I163-F167 HydrophobicContact CG2-CB 4.28Å; I163-F167 WeakPolarHBondContact O-CB 3.41Å; I163-F167 PolarHBondContact O-N 2.8Å; L164-F167 PolarHBondContact O-N 3.15Å; V165-F167 VanDerWaalsContact C-N 3.29Å; V165-F167 PolarHBondContact O-N 3.42Å; F167-L169 VanDerWaalsContact C-N 3.35Å; F167-A170 PolarHBondContact O-N 3.4Å; F167-G171 PolarHBondContact O-N 3.41Å; F167-I420 HydrophobicContact CE2-CG2 3.72Å; F167-I420 HydrophobicContact CZ-CG2 4.2Å; F167-L424 HydrophobicContact CD2-CD2 3.69Å; F167-L424 HydrophobicContact CD2-CG 4.3Å; F167-L424 HydrophobicContact CE2-CD1 4.02Å; F167-L424 HydrophobicContact CE2-CD2 3.76Å; F167-L424 HydrophobicContact CE2-CG 4.03Å; F167-L475 HydrophobicContact CZ-CB 4.5Å; F167-F483 HydrophobicContact CD1-CZ 4.5Å; F167-F483 HydrophobicContact CE1-CE2 4.02Å; F167-F483 HydrophobicContact CE1-CZ 4.05Å; F167-F483 AromaticContact CZ-CE2 3.96Å; F167-F483 HydrophobicContact CZ-CE2 3.96Å; F167-F483 HydrophobicContact CZ-CZ 4.39Å |
| 168 | L | 91.4 | Very high | 87.1 | Confident | 39 Ų | 39 | 33.5 Ų | 33.5 | 20% | 0.204 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 176.3 | -72.7 | 175 | 0 | 0 | 0 | 111.4 | L164 V165 G171 F172 I482 F483 | L164-L168 HydrophobicContact CD1-CD1 4.09Å; L164-L168 HydrophobicContact CD1-CG 4.16Å; L164-L168 HydrophobicContact CG-CD1 4.19Å; L164-L168 WeakPolarHBondContact O-CG 3.12Å; L164-L168 PolarHBondContact O-N 3.46Å; V165-L168 PolarHBondContact O-N 2.92Å; L168-G171 PolarHBondContact O-N 3.18Å; L168-F172 HydrophobicContact CB-CE2 4.31Å; L168-F172 WeakPolarHBondContact O-CD2 3.48Å; L168-F172 PolarHBondContact O-N 3.44Å; L168-I482 HydrophobicContact CD2-CD1 3.85Å; L168-F483 HydrophobicContact CD2-CE1 4.19Å; L168-F483 HydrophobicContact CD2-CZ 4.12Å |
| 169 | L | 89.7 | Confident | 87.7 | Confident | 50 Ų | 50 | 29.4 Ų | 29.4 | 26% | 0.262 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 176.8 | -175.9 | 66.2 | 0 | 0 | 0 | 111.5 | P47 V165 P166 F167 G171 F172 G173 I318 S321 | P47-L169 HydrophobicContact CG-CD1 4.22Å; V165-L169 PolarHBondContact O-N 3.4Å; P166-L169 PolarHBondContact O-N 3.28Å; F167-L169 VanDerWaalsContact C-N 3.35Å; L169-G171 VanDerWaalsContact C-N 3.33Å; L169-G171 PolarHBondContact O-N 3.09Å; L169-F172 PolarHBondContact O-N 3.02Å; L169-G173 PolarHBondContact O-N 2.84Å; L169-G173 VanDerWaalsContact O-N 3.08Å; L169-I318 HydrophobicContact CD2-CG1 3.85Å; L169-S321 WeakPolarHBondContact O-CB 3.36Å |
| 170 | A | 89.1 | Confident | 88.5 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P166 F167 G173 T174 P317 A320 | P166-A170 WeakPolarHBondContact O-CB 3.41Å; P166-A170 PolarHBondContact O-N 2.93Å; F167-A170 PolarHBondContact O-N 3.4Å; A170-G173 WeakPolarHBondContact O-CA 2.85Å; A170-G173 PolarHBondContact O-N 3.4Å; A170-T174 WeakPolarHBondContact O-CG2 3.4Å; A170-T174 PolarHBondContact O-N 3.01Å; A170-P317 HydrophobicContact CB-CB 4.15Å; A170-A320 HydrophobicContact CB-CB 4.08Å |
| 171 | G | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.4 | -35.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F167 L168 L169 G173 T174 V175 F483 | F167-G171 PolarHBondContact O-N 3.41Å; L168-G171 PolarHBondContact O-N 3.18Å; L169-G171 VanDerWaalsContact C-N 3.33Å; L169-G171 PolarHBondContact O-N 3.09Å; G171-G173 VanDerWaalsContact C-N 3.28Å; G171-G173 PolarHBondContact O-N 3.42Å; G171-T174 WeakPolarHBondContact CA-OG1 3.38Å; G171-T174 PolarHBondContact O-N 2.88Å; G171-T174 PolarHBondContact O-OG1 3.37Å; G171-V175 WeakPolarHBondContact O-CB 3.34Å; G171-V175 WeakPolarHBondContact O-CG2 3.44Å; G171-V175 PolarHBondContact O-N 3.44Å; G171-F483 VanDerWaalsContact CA-CZ 3.48Å |
| 172 | F | 92.8 | Very high | 89.6 | Confident | 74 Ų | 74 | 22.8 Ų | 22.8 | 33% | 0.325 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -64.7 | -35.3 | 170.8 | -73 | -55.6 | 0 | 0 | 0 | 112.2 | L168 L169 S176 I482 T486 | L168-F172 HydrophobicContact CB-CE2 4.31Å; L168-F172 WeakPolarHBondContact O-CD2 3.48Å; L168-F172 PolarHBondContact O-N 3.44Å; L169-F172 PolarHBondContact O-N 3.02Å; F172-S176 WeakPolarHBondContact O-CB 3.24Å; F172-S176 PolarHBondContact O-N 2.94Å; F172-S176 PolarHBondContact O-OG 3.48Å; F172-I482 HydrophobicContact CE1-CG2 4.32Å; F172-I482 HydrophobicContact CZ-CG2 4.08Å; F172-T486 HydrophobicContact CD1-CG2 4.39Å; F172-T486 HydrophobicContact CE1-CG2 4.26Å |
| 173 | G | 91.7 | Very high | 90.2 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 7% | 0.072 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L169 A170 G171 S176 A177 S321 | L169-G173 PolarHBondContact O-N 2.84Å; L169-G173 VanDerWaalsContact O-N 3.08Å; A170-G173 WeakPolarHBondContact O-CA 2.85Å; A170-G173 PolarHBondContact O-N 3.4Å; G171-G173 VanDerWaalsContact C-N 3.28Å; G171-G173 PolarHBondContact O-N 3.42Å; G173-S176 PolarHBondContact O-N 3.2Å; G173-A177 WeakPolarHBondContact O-CB 3.23Å; G173-A177 PolarHBondContact O-N 3.33Å; G173-S321 WeakPolarHBondContact CA-O 3.1Å |
| 174 | T | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.6 | -34.3 | 178.1 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | A170 G171 A177 G178 P415 | A170-T174 WeakPolarHBondContact O-CG2 3.4Å; A170-T174 PolarHBondContact O-N 3.01Å; G171-T174 WeakPolarHBondContact CA-OG1 3.38Å; G171-T174 PolarHBondContact O-N 2.88Å; G171-T174 PolarHBondContact O-OG1 3.37Å; T174-A177 WeakPolarHBondContact O-CB 3.42Å; T174-A177 PolarHBondContact O-N 2.9Å; T174-G178 PolarHBondContact O-N 3.33Å; T174-P415 WeakPolarHBondContact CB-O 3.26Å |
| 175 | V | 93.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.012 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 170.9 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | G171 A177 G178 M179 V416 F483 T486 I487 | G171-V175 WeakPolarHBondContact O-CB 3.34Å; G171-V175 WeakPolarHBondContact O-CG2 3.44Å; G171-V175 PolarHBondContact O-N 3.44Å; V175-A177 VanDerWaalsContact C-N 3.3Å; V175-A177 PolarHBondContact O-N 3.09Å; V175-G178 PolarHBondContact O-N 3.06Å; V175-M179 HydrophobicContact CG1-CE 3.38Å; V175-M179 HydrophobicContact CG1-SD 4.14Å; V175-M179 WeakPolarHBondContact O-CG 3.46Å; V175-M179 PolarHBondContact O-N 2.79Å; V175-V416 HydrophobicContact CB-CG2 4.33Å; V175-V416 HydrophobicContact CG2-CG1 4.35Å; V175-V416 HydrophobicContact CG2-CG2 3.73Å; V175-F483 HydrophobicContact CG2-CB 3.62Å; V175-F483 HydrophobicContact CG2-CD1 4.09Å; V175-F483 HydrophobicContact CG2-CG 4.06Å; V175-T486 HydrophobicContact CG1-CG2 4.1Å; V175-I487 HydrophobicContact CG1-CG1 3.82Å; V175-I487 HydrophobicContact CG2-CG1 4.43Å |
| 176 | S | 92.8 | Very high | 91.4 | Very high | 11 Ų | 11 | 19.6 Ų | 19.6 | 8% | 0.077 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.1 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | F172 G173 M179 V180 | F172-S176 WeakPolarHBondContact O-CB 3.24Å; F172-S176 PolarHBondContact O-N 2.94Å; F172-S176 PolarHBondContact O-OG 3.48Å; G173-S176 PolarHBondContact O-N 3.2Å; S176-M179 PolarHBondContact O-N 3.05Å; S176-V180 WeakPolarHBondContact O-CG2 3.38Å; S176-V180 PolarHBondContact O-N 2.86Å |
| 177 | A | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G173 T174 V175 M179 V180 L181 D324 L325 L328 P415 | G173-A177 WeakPolarHBondContact O-CB 3.23Å; G173-A177 PolarHBondContact O-N 3.33Å; T174-A177 WeakPolarHBondContact O-CB 3.42Å; T174-A177 PolarHBondContact O-N 2.9Å; V175-A177 VanDerWaalsContact C-N 3.3Å; V175-A177 PolarHBondContact O-N 3.09Å; A177-M179 PolarHBondContact O-N 3.19Å; A177-V180 PolarHBondContact O-N 3.45Å; A177-L181 WeakPolarHBondContact O-CB 3.49Å; A177-L181 PolarHBondContact O-N 3.01Å; A177-D324 HydrophobicContact CB-CB 3.78Å; A177-L325 HydrophobicContact CB-CB 4.47Å; A177-L328 HydrophobicContact CB-CD1 3.85Å; A177-L328 WeakPolarHBondContact O-CD1 3.5Å; A177-P415 HydrophobicContact CB-CB 4.21Å |
| 178 | G | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.3 | -42.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T174 V175 L181 D182 V412 | T174-G178 PolarHBondContact O-N 3.33Å; V175-G178 PolarHBondContact O-N 3.06Å; G178-L181 WeakPolarHBondContact O-CB 3.33Å; G178-L181 PolarHBondContact O-N 2.87Å; G178-D182 WeakPolarHBondContact O-CB 3.31Å; G178-D182 PolarHBondContact O-N 3.49Å; G178-V412 WeakPolarHBondContact CA-O 3.36Å |
| 179 | M | 92.2 | Very high | 92.4 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.025 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.6 | -39.9 | 176.9 | -69 | 169.1 | -178.1 | 0 | 0 | 112.4 | M45 V175 S176 A177 L181 D182 I183 V412 I487 M490 | M45-M179 HydrophobicContact CE-CB 4.14Å; M45-M179 HydrophobicContact CE-SD 3.56Å; M45-M179 VanDerWaalsContact CE-SD 3.56Å; V175-M179 HydrophobicContact CG1-CE 3.38Å; V175-M179 HydrophobicContact CG1-SD 4.14Å; V175-M179 WeakPolarHBondContact O-CG 3.46Å; V175-M179 PolarHBondContact O-N 2.79Å; S176-M179 PolarHBondContact O-N 3.05Å; A177-M179 PolarHBondContact O-N 3.19Å; M179-L181 VanDerWaalsContact C-N 3.29Å; M179-L181 PolarHBondContact O-N 2.82Å; M179-D182 PolarHBondContact O-N 2.88Å; M179-I183 WeakPolarHBondContact O-CG1 3.27Å; M179-I183 PolarHBondContact O-N 3.41Å; M179-V412 HydrophobicContact CG-CG2 4.35Å; M179-I487 HydrophobicContact CE-CB 4.42Å; M179-I487 HydrophobicContact CE-CG1 4.1Å; M179-M490 HydrophobicContact CE-CB 3.54Å; M179-M490 HydrophobicContact CE-CE 4.2Å; M179-M490 HydrophobicContact CE-CG 3.84Å; M179-M490 HydrophobicContact CE-SD 3.34Å; M179-M490 WeakPolarHBondContact CE-SD 3.1Å; M179-M490 HydrophobicContact SD-CB 4.14Å; M179-M490 HydrophobicContact SD-CE 3.53Å; M179-M490 VanDerWaalsContact SD-CE 3.53Å; M179-M490 HydrophobicContact SD-CG 4.37Å; M179-M490 HydrophobicContact SD-SD 3.42Å |
| 180 | V | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 171.8 | 168.7 | 0 | 0 | 0 | 0 | 109.6 | F38 L42 S176 A177 D182 I183 V184 L325 L328 | F38-V180 HydrophobicContact CE2-CB 4.41Å; F38-V180 HydrophobicContact CE2-CG1 3.93Å; F38-V180 HydrophobicContact CE2-CG2 3.79Å; F38-V180 HydrophobicContact CZ-CG1 3.89Å; F38-V180 HydrophobicContact CZ-CG2 3.91Å; L42-V180 HydrophobicContact CD2-CG2 4.4Å; S176-V180 WeakPolarHBondContact O-CG2 3.38Å; S176-V180 PolarHBondContact O-N 2.86Å; A177-V180 PolarHBondContact O-N 3.45Å; V180-D182 VanDerWaalsContact C-N 3.34Å; V180-D182 PolarHBondContact O-N 3.5Å; V180-I183 PolarHBondContact O-N 3.24Å; V180-I183 VanDerWaalsContact O-N 3.14Å; V180-V184 HydrophobicContact CG1-CG1 4.2Å; V180-V184 WeakPolarHBondContact O-CG1 3.39Å; V180-V184 WeakPolarHBondContact O-CG2 3.43Å; V180-V184 PolarHBondContact O-N 3.48Å; V180-L325 HydrophobicContact CB-CD1 4.38Å; V180-L325 HydrophobicContact CG2-CD1 3.53Å; V180-L328 HydrophobicContact CG1-CB 4.47Å |
| 181 | L | 92.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 178 | -160.2 | 63.1 | 0 | 0 | 0 | 112.2 | A177 G178 M179 I183 V184 Q185 F190 V200 L328 V411 P415 | A177-L181 WeakPolarHBondContact O-CB 3.49Å; A177-L181 PolarHBondContact O-N 3.01Å; G178-L181 WeakPolarHBondContact O-CB 3.33Å; G178-L181 PolarHBondContact O-N 2.87Å; M179-L181 VanDerWaalsContact C-N 3.29Å; M179-L181 PolarHBondContact O-N 2.82Å; L181-I183 VanDerWaalsContact C-N 3.29Å; L181-I183 PolarHBondContact O-N 3.37Å; L181-V184 HydrophobicContact CD1-CG2 4.08Å; L181-V184 PolarHBondContact O-N 3.1Å; L181-Q185 WeakPolarHBondContact O-CB 3.44Å; L181-Q185 WeakPolarHBondContact O-CG 3.13Å; L181-Q185 PolarHBondContact O-N 2.93Å; L181-F190 HydrophobicContact CD1-CE1 4.22Å; L181-V200 HydrophobicContact CD1-CG1 4.13Å; L181-V200 HydrophobicContact CD1-CG2 4Å; L181-V200 HydrophobicContact CD2-CG1 3.99Å; L181-L328 HydrophobicContact CB-CD1 4.22Å; L181-L328 HydrophobicContact CD1-CD1 4.47Å; L181-L328 HydrophobicContact CD1-CD2 4.47Å; L181-V411 HydrophobicContact CB-CG1 3.82Å; L181-V411 HydrophobicContact CD2-CG1 3.57Å; L181-V411 HydrophobicContact CG-CG1 3.35Å; L181-P415 HydrophobicContact CD2-CG 4.06Å |
| 182 | D | 91.5 | Very high | 92.7 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 8% | 0.08 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -32.4 | 175 | -176.9 | 32.9 | 0 | 0 | 0 | 113 | G178 M179 V180 Q185 H186 V412 S492 G493 H494 | G178-D182 WeakPolarHBondContact O-CB 3.31Å; G178-D182 PolarHBondContact O-N 3.49Å; M179-D182 PolarHBondContact O-N 2.88Å; V180-D182 VanDerWaalsContact C-N 3.34Å; V180-D182 PolarHBondContact O-N 3.5Å; D182-Q185 WeakPolarHBondContact O-CG 3.33Å; D182-Q185 PolarHBondContact O-NE2 2.85Å; D182-Q185 PolarHBondContact OD1-NE2 3.38Å; D182-H186 PolarHBondContact O-CD2 3.48Å; D182-V412 HydrophobicContact CB-CB 4.28Å; D182-S492 PolarHBondContact OD2-OG 3.2Å; D182-G493 PolarHBondContact OD2-N 3.11Å; D182-H494 IonicContact OD1-CD2 3.2Å; D182-H494 PolarHBondContact OD1-CD2 3.46Å; D182-H494 VanDerWaalsContact OD1-CD2 3.27Å; D182-H494 IonicContact OD1-NE2 3.58Å; D182-H494 PolarHBondContact OD1-NE2 3.46Å |
| 183 | I | 91.8 | Very high | 92.7 | Very high | 69 Ų | 69 | 30 Ų | 30 | 35% | 0.354 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -76.4 | -46.2 | 174.7 | -67.2 | 164.7 | 0 | 0 | 0 | 111 | L41 M179 V180 L181 H186 | L41-I183 HydrophobicContact CD2-CD1 3.57Å; M179-I183 WeakPolarHBondContact O-CG1 3.27Å; M179-I183 PolarHBondContact O-N 3.41Å; V180-I183 PolarHBondContact O-N 3.24Å; V180-I183 VanDerWaalsContact O-N 3.14Å; L181-I183 VanDerWaalsContact C-N 3.29Å; L181-I183 PolarHBondContact O-N 3.37Å; I183-H186 PolarHBondContact O-N 2.99Å |
| 184 | V | 93.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -79.1 | -20.7 | -171.6 | -55.4 | 0 | 0 | 0 | 0 | 112.9 | V180 L181 H186 W187 F190 A332 | V180-V184 HydrophobicContact CG1-CG1 4.2Å; V180-V184 WeakPolarHBondContact O-CG1 3.39Å; V180-V184 WeakPolarHBondContact O-CG2 3.43Å; V180-V184 PolarHBondContact O-N 3.48Å; L181-V184 HydrophobicContact CD1-CG2 4.08Å; L181-V184 PolarHBondContact O-N 3.1Å; V184-H186 PolarHBondContact O-N 3.27Å; V184-H186 VanDerWaalsContact O-N 3.11Å; V184-W187 HydrophobicContact CB-CD2 4.15Å; V184-W187 HydrophobicContact CB-CE3 4.41Å; V184-W187 HydrophobicContact CB-CG 4.36Å; V184-W187 HydrophobicContact CG1-CD2 4.1Å; V184-W187 HydrophobicContact CG1-CE3 4.26Å; V184-W187 HydrophobicContact CG1-CH2 4.1Å; V184-W187 HydrophobicContact CG1-CZ2 3.92Å; V184-W187 HydrophobicContact CG1-CZ3 4.27Å; V184-W187 VanDerWaalsContact O-CB 3.23Å; V184-W187 WeakPolarHBondContact O-CB 3.43Å; V184-W187 PolarHBondContact O-N 3.39Å; V184-F190 HydrophobicContact CB-CD2 4.15Å; V184-F190 HydrophobicContact CB-CE2 3.8Å; V184-F190 HydrophobicContact CB-CZ 4.21Å; V184-F190 HydrophobicContact CG2-CD2 4.24Å; V184-F190 HydrophobicContact CG2-CE1 4.02Å; V184-F190 HydrophobicContact CG2-CE2 3.68Å; V184-F190 HydrophobicContact CG2-CZ 3.56Å; V184-F190 WeakPolarHBondContact O-CB 3.43Å; V184-F190 WeakPolarHBondContact O-CD2 3.37Å; V184-F190 WeakPolarHBondContact O-CG 3.42Å; V184-A332 HydrophobicContact CB-CB 3.96Å; V184-A332 HydrophobicContact CG1-CB 3.55Å; V184-A332 HydrophobicContact CG2-CB 4.13Å |
| 185 | Q | 91.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.5 | 173.3 | 58.2 | 165.7 | -28.6 | 0 | 0 | 113 | L181 D182 W187 F197 V408 V411 | L181-Q185 WeakPolarHBondContact O-CB 3.44Å; L181-Q185 WeakPolarHBondContact O-CG 3.13Å; L181-Q185 PolarHBondContact O-N 2.93Å; D182-Q185 WeakPolarHBondContact O-CG 3.33Å; D182-Q185 PolarHBondContact O-NE2 2.85Å; D182-Q185 PolarHBondContact OD1-NE2 3.38Å; Q185-W187 VanDerWaalsContact C-N 3.34Å; Q185-F197 HydrophobicContact CB-CE1 3.91Å; Q185-F197 HydrophobicContact CB-CZ 3.67Å; Q185-V408 VanDerWaalsContact OE1-CG2 3.25Å; Q185-V411 HydrophobicContact CB-CG1 4.47Å; Q185-V411 HydrophobicContact CG-CG1 4.46Å |
| 186 | H | 91.2 | Very high | 92.9 | Very high | 100 Ų | 100 | 31.8 Ų | 31.8 | 46% | 0.463 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.2 | 177.2 | -61.6 | -59.9 | 0 | 0 | 0 | 113.5 | D182 I183 V184 H494 | D182-H186 PolarHBondContact O-CD2 3.48Å; I183-H186 PolarHBondContact O-N 2.99Å; V184-H186 PolarHBondContact O-N 3.27Å; V184-H186 VanDerWaalsContact O-N 3.11Å; H186-H494 AromaticContact NE2-CE1 3.83Å; H186-H494 AromaticContact NE2-NE2 3.42Å; H186-H494 PolarHBondContact NE2-NE2 3.44Å |
| 187 | W | 94 | Very high | 92.9 | Very high | 32 Ų | 32 | 31.7 Ų | 31.7 | 12% | 0.121 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -72.5 | 150.9 | 177.1 | -67.5 | 13 | 0 | 0 | 0 | 110.9 | V184 Q185 V189 F190 R191 A332 W333 Q336 | V184-W187 HydrophobicContact CB-CD2 4.15Å; V184-W187 HydrophobicContact CB-CE3 4.41Å; V184-W187 HydrophobicContact CB-CG 4.36Å; V184-W187 HydrophobicContact CG1-CD2 4.1Å; V184-W187 HydrophobicContact CG1-CE3 4.26Å; V184-W187 HydrophobicContact CG1-CH2 4.1Å; V184-W187 HydrophobicContact CG1-CZ2 3.92Å; V184-W187 HydrophobicContact CG1-CZ3 4.27Å; V184-W187 VanDerWaalsContact O-CB 3.23Å; V184-W187 WeakPolarHBondContact O-CB 3.43Å; V184-W187 PolarHBondContact O-N 3.39Å; Q185-W187 VanDerWaalsContact C-N 3.34Å; W187-V189 VanDerWaalsContact C-N 3.28Å; W187-V189 PolarHBondContact O-N 3.13Å; W187-F190 HydrophobicContact CB-CD2 4.39Å; W187-F190 PolarHBondContact O-N 3.08Å; W187-F190 VanDerWaalsContact O-N 3.15Å; W187-R191 WeakPolarHBondContact O-CG 3.5Å; W187-R191 PolarHBondContact O-N 2.84Å; W187-R191 VanDerWaalsContact O-N 3.12Å; W187-A332 HydrophobicContact CE3-CB 4.46Å; W187-A332 HydrophobicContact CZ3-CB 4.01Å; W187-W333 AromaticContact CH2-CD1 3.66Å; W187-W333 AromaticContact CH2-NE1 3.85Å; W187-W333 AromaticContact CZ3-CD1 3.93Å; W187-Q336 HydrophobicContact CE3-CB 3.78Å; W187-Q336 HydrophobicContact CE3-CG 3.94Å; W187-Q336 HydrophobicContact CZ3-CB 3.96Å; W187-Q336 HydrophobicContact CZ3-CG 4.27Å |
| 188 | E | 93.9 | Very high | 93 | Very high | 91 Ų | 91 | 31.7 Ų | 31.7 | 43% | 0.425 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -57.4 | -40 | -173.9 | -174.8 | 175.8 | -169.6 | 0 | 0 | 112.9 | R191 K192 Y339 | E188-R191 PolarHBondContact O-N 3.36Å; E188-K192 HydrophobicContact CG-CD 3.85Å; E188-K192 HydrophobicContact CG-CG 4.39Å; E188-K192 WeakPolarHBondContact O-CB 3.32Å; E188-K192 PolarHBondContact O-N 3.32Å; E188-K192 WeakPolarHBondContact OE1-CE 3.26Å; E188-K192 IonicContact OE1-NZ 3.91Å; E188-K192 PolarHBondContact OE1-NZ 2.61Å; E188-Y339 HydrophobicContact CG-CE1 3.79Å |
| 189 | V | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 179 | 67.9 | 0 | 0 | 0 | 0 | 112.4 | W187 R191 V193 L277 Q336 Y339 | W187-V189 VanDerWaalsContact C-N 3.28Å; W187-V189 PolarHBondContact O-N 3.13Å; V189-R191 VanDerWaalsContact C-N 3.33Å; V189-R191 PolarHBondContact O-N 3.03Å; V189-V193 HydrophobicContact CG2-CG2 4.38Å; V189-V193 WeakPolarHBondContact O-CA 3.48Å; V189-V193 VanDerWaalsContact O-CB 3.29Å; V189-V193 WeakPolarHBondContact O-CB 3.41Å; V189-V193 PolarHBondContact O-N 3.33Å; V189-L277 HydrophobicContact CG2-CD2 4.16Å; V189-Q336 HydrophobicContact CG1-CB 4.1Å; V189-Y339 HydrophobicContact CB-CD1 4.37Å; V189-Y339 HydrophobicContact CB-CD2 4.47Å; V189-Y339 HydrophobicContact CB-CG 4.01Å; V189-Y339 HydrophobicContact CG2-CD2 4.08Å; V189-Y339 HydrophobicContact CG2-CG 3.95Å |
| 190 | F | 93.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.4 | -31.7 | 179 | -79 | -98 | 0 | 0 | 0 | 111.8 | L181 V184 W187 V196 F197 V200 A332 | L181-F190 HydrophobicContact CD1-CE1 4.22Å; V184-F190 HydrophobicContact CB-CD2 4.15Å; V184-F190 HydrophobicContact CB-CE2 3.8Å; V184-F190 HydrophobicContact CB-CZ 4.21Å; V184-F190 HydrophobicContact CG2-CD2 4.24Å; V184-F190 HydrophobicContact CG2-CE1 4.02Å; V184-F190 HydrophobicContact CG2-CE2 3.68Å; V184-F190 HydrophobicContact CG2-CZ 3.56Å; V184-F190 WeakPolarHBondContact O-CB 3.43Å; V184-F190 WeakPolarHBondContact O-CD2 3.37Å; V184-F190 WeakPolarHBondContact O-CG 3.42Å; W187-F190 HydrophobicContact CB-CD2 4.39Å; W187-F190 PolarHBondContact O-N 3.08Å; W187-F190 VanDerWaalsContact O-N 3.15Å; F190-V196 HydrophobicContact CD1-CB 4.26Å; F190-V196 HydrophobicContact CD1-CG1 3.8Å; F190-V196 HydrophobicContact CE1-CB 4.29Å; F190-V196 HydrophobicContact CE1-CG1 3.37Å; F190-V196 HydrophobicContact CE2-CG1 4.27Å; F190-V196 HydrophobicContact CG-CG1 4.42Å; F190-V196 HydrophobicContact CZ-CG1 3.63Å; F190-F197 HydrophobicContact CB-CE2 4.13Å; F190-F197 HydrophobicContact CB-CZ 4.02Å; F190-F197 HydrophobicContact CD1-CD1 4.29Å; F190-F197 AromaticContact CD1-CE1 3.86Å; F190-F197 HydrophobicContact CD1-CE1 3.86Å; F190-F197 HydrophobicContact CD1-CE2 4.21Å; F190-F197 AromaticContact CD1-CZ 3.81Å; F190-F197 HydrophobicContact CD1-CZ 3.81Å; F190-F197 HydrophobicContact CG-CZ 4.39Å; F190-F197 WeakPolarHBondContact O-CE2 3.32Å; F190-V200 HydrophobicContact CE1-CG2 4.27Å; F190-A332 HydrophobicContact CE2-CB 4.02Å; F190-A332 HydrophobicContact CZ-CB 4.28Å |
| 191 | R | 92 | Very high | 93.1 | Very high | 182 Ų | 182 | 31.7 Ų | 31.7 | 69% | 0.687 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -77.3 | -32 | 178.1 | -67 | -173.2 | 67.8 | 176.7 | 3.7 | 113.7 | W187 E188 V189 | W187-R191 WeakPolarHBondContact O-CG 3.5Å; W187-R191 PolarHBondContact O-N 2.84Å; W187-R191 VanDerWaalsContact O-N 3.12Å; E188-R191 PolarHBondContact O-N 3.36Å; V189-R191 VanDerWaalsContact C-N 3.33Å; V189-R191 PolarHBondContact O-N 3.03Å |
| 192 | K | 91.9 | Very high | 93.1 | Very high | 103 Ų | 103 | 31.6 Ų | 31.6 | 45% | 0.448 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -97.7 | -25 | -177 | -72.1 | -175.7 | 172.9 | 176.6 | 0 | 113.7 | E188 H274 Y339 | E188-K192 HydrophobicContact CG-CD 3.85Å; E188-K192 HydrophobicContact CG-CG 4.39Å; E188-K192 WeakPolarHBondContact O-CB 3.32Å; E188-K192 PolarHBondContact O-N 3.32Å; E188-K192 WeakPolarHBondContact OE1-CE 3.26Å; E188-K192 IonicContact OE1-NZ 3.91Å; E188-K192 PolarHBondContact OE1-NZ 2.61Å; K192-H274 PolarHBondContact O-CE1 2.95Å; K192-H274 VanDerWaalsContact O-CE1 3.23Å; K192-Y339 HydrophobicContact CD-CE1 4.4Å; K192-Y339 WeakPolarHBondContact CD-OH 3.29Å; K192-Y339 PolarHBondContact NZ-OH 3.2Å |
| 193 | V | 93 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -121.3 | 77.2 | 179.1 | -168.6 | 0 | 0 | 0 | 0 | 107.3 | V189 E195 V196 H274 L277 L278 Y339 | V189-V193 HydrophobicContact CG2-CG2 4.38Å; V189-V193 WeakPolarHBondContact O-CA 3.48Å; V189-V193 VanDerWaalsContact O-CB 3.29Å; V189-V193 WeakPolarHBondContact O-CB 3.41Å; V189-V193 PolarHBondContact O-N 3.33Å; V193-E195 WeakPolarHBondContact CA-OE2 3.28Å; V193-E195 VanDerWaalsContact CG1-OE2 3.25Å; V193-E195 WeakPolarHBondContact CG1-OE2 3.3Å; V193-E195 PolarHBondContact O-N 3.25Å; V193-V196 HydrophobicContact CB-CG2 4.15Å; V193-V196 HydrophobicContact CG1-CG2 4.02Å; V193-V196 WeakPolarHBondContact O-CB 3.4Å; V193-V196 VanDerWaalsContact O-CG2 3.28Å; V193-V196 WeakPolarHBondContact O-CG2 3.33Å; V193-V196 PolarHBondContact O-N 3.4Å; V193-V196 VanDerWaalsContact O-N 3.12Å; V193-H274 HydrophobicContact CG1-CB 4.12Å; V193-L277 HydrophobicContact CG2-CD2 4.02Å; V193-L278 HydrophobicContact CG1-CD1 4.19Å; V193-L278 HydrophobicContact CG1-CD2 4.09Å; V193-L278 HydrophobicContact CG1-CG 4.1Å; V193-Y339 HydrophobicContact CG2-CD2 4.14Å; V193-Y339 HydrophobicContact CG2-CE2 4.06Å | ||
| 194 | T | 92.1 | Very high | 93.3 | Very high | 29 Ų | 29 | 28.5 Ų | 28.5 | 18% | 0.178 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.7 | -175.8 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | V196 F197 D399 | T194-V196 PolarHBondContact O-N 2.93Å; T194-F197 WeakPolarHBondContact O-CB 3.46Å; T194-F197 PolarHBondContact O-N 3.27Å; T194-D399 WeakPolarHBondContact CB-OD1 3.34Å; T194-D399 VanDerWaalsContact O-OD1 3.12Å |
| 195 | E | 93.7 | Very high | 93.2 | Very high | 17 Ų | 17 | 28.6 Ų | 28.6 | 8% | 0.079 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.7 | -16.5 | 175.7 | -53.9 | 92.2 | 153.9 | 0 | 0 | 113.3 | V193 F197 I198 L199 H274 L278 | V193-E195 WeakPolarHBondContact CA-OE2 3.28Å; V193-E195 VanDerWaalsContact CG1-OE2 3.25Å; V193-E195 WeakPolarHBondContact CG1-OE2 3.3Å; V193-E195 PolarHBondContact O-N 3.25Å; E195-F197 VanDerWaalsContact C-N 3.28Å; E195-F197 PolarHBondContact O-N 2.93Å; E195-I198 WeakPolarHBondContact O-CB 3.33Å; E195-I198 PolarHBondContact O-N 3.1Å; E195-L199 PolarHBondContact O-N 3.08Å; E195-H274 IonicContact OE2-ND1 3.67Å; E195-L278 HydrophobicContact CB-CD1 3.54Å; E195-L278 HydrophobicContact CB-CD2 4.16Å; E195-L278 HydrophobicContact CB-CG 4.49Å; E195-L278 HydrophobicContact CG-CD1 4.16Å |
| 196 | V | 94.9 | Very high | 93 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.9 | -34.7 | 169.9 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | F190 V193 T194 I198 L199 V200 L278 L331 | F190-V196 HydrophobicContact CD1-CB 4.26Å; F190-V196 HydrophobicContact CD1-CG1 3.8Å; F190-V196 HydrophobicContact CE1-CB 4.29Å; F190-V196 HydrophobicContact CE1-CG1 3.37Å; F190-V196 HydrophobicContact CE2-CG1 4.27Å; F190-V196 HydrophobicContact CG-CG1 4.42Å; F190-V196 HydrophobicContact CZ-CG1 3.63Å; V193-V196 HydrophobicContact CB-CG2 4.15Å; V193-V196 HydrophobicContact CG1-CG2 4.02Å; V193-V196 WeakPolarHBondContact O-CB 3.4Å; V193-V196 VanDerWaalsContact O-CG2 3.28Å; V193-V196 WeakPolarHBondContact O-CG2 3.33Å; V193-V196 PolarHBondContact O-N 3.4Å; V193-V196 VanDerWaalsContact O-N 3.12Å; T194-V196 PolarHBondContact O-N 2.93Å; V196-I198 VanDerWaalsContact C-N 3.32Å; V196-I198 PolarHBondContact O-N 3.28Å; V196-L199 WeakPolarHBondContact O-CB 3.01Å; V196-L199 PolarHBondContact O-N 3.33Å; V196-V200 WeakPolarHBondContact O-CG2 3.39Å; V196-V200 PolarHBondContact O-N 3.4Å; V196-L278 HydrophobicContact CG2-CD2 3.73Å; V196-L331 HydrophobicContact CG1-CD2 4.4Å |
| 197 | F | 93.6 | Very high | 93 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 4% | 0.035 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.4 | -33.9 | 173.7 | -70.6 | -70 | 0 | 0 | 0 | 112.3 | Q185 F190 T194 E195 L199 V200 P201 D399 V402 | Q185-F197 HydrophobicContact CB-CE1 3.91Å; Q185-F197 HydrophobicContact CB-CZ 3.67Å; F190-F197 HydrophobicContact CB-CE2 4.13Å; F190-F197 HydrophobicContact CB-CZ 4.02Å; F190-F197 HydrophobicContact CD1-CD1 4.29Å; F190-F197 AromaticContact CD1-CE1 3.86Å; F190-F197 HydrophobicContact CD1-CE1 3.86Å; F190-F197 HydrophobicContact CD1-CE2 4.21Å; F190-F197 AromaticContact CD1-CZ 3.81Å; F190-F197 HydrophobicContact CD1-CZ 3.81Å; F190-F197 HydrophobicContact CG-CZ 4.39Å; F190-F197 WeakPolarHBondContact O-CE2 3.32Å; T194-F197 WeakPolarHBondContact O-CB 3.46Å; T194-F197 PolarHBondContact O-N 3.27Å; E195-F197 VanDerWaalsContact C-N 3.28Å; E195-F197 PolarHBondContact O-N 2.93Å; F197-L199 VanDerWaalsContact C-N 3.31Å; F197-V200 PolarHBondContact O-N 3.04Å; F197-P201 WeakPolarHBondContact O-CD 3.28Å; F197-D399 HydrophobicContact CB-CB 3.91Å; F197-V402 HydrophobicContact CD2-CG1 4.46Å; F197-V402 HydrophobicContact CE1-CG1 4.1Å; F197-V402 HydrophobicContact CE2-CG1 4Å; F197-V402 HydrophobicContact CZ-CG1 3.81Å |
| 198 | I | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.3 | -40.1 | 172.6 | -52.2 | 179.3 | 0 | 0 | 0 | 110.4 | E195 V196 V200 A259 L262 G395 L396 D399 | E195-I198 WeakPolarHBondContact O-CB 3.33Å; E195-I198 PolarHBondContact O-N 3.1Å; V196-I198 VanDerWaalsContact C-N 3.32Å; V196-I198 PolarHBondContact O-N 3.28Å; I198-V200 PolarHBondContact O-N 3.4Å; I198-A259 HydrophobicContact CB-CB 4.09Å; I198-A259 HydrophobicContact CG2-CB 3.99Å; I198-L262 HydrophobicContact CD1-CB 4.34Å; I198-L262 HydrophobicContact CG2-CB 4.23Å; I198-L262 HydrophobicContact CG2-CD1 4.15Å; I198-G395 WeakPolarHBondContact O-CA 3.36Å; I198-L396 HydrophobicContact CD1-CD1 3.92Å; I198-D399 HydrophobicContact CD1-CB 4.36Å; I198-D399 HydrophobicContact CG1-CB 3.55Å |
| 199 | L | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69.8 | -30.1 | -179.4 | -176.2 | 62.6 | 0 | 0 | 0 | 113.2 | E195 V196 F197 A202 L203 A255 A259 L278 L331 | E195-L199 PolarHBondContact O-N 3.08Å; V196-L199 WeakPolarHBondContact O-CB 3.01Å; V196-L199 PolarHBondContact O-N 3.33Å; F197-L199 VanDerWaalsContact C-N 3.31Å; L199-A202 PolarHBondContact O-N 3.42Å; L199-L203 HydrophobicContact CD1-CD1 4Å; L199-L203 HydrophobicContact CD1-CD2 4.42Å; L199-L203 HydrophobicContact CD1-CG 3.82Å; L199-L203 HydrophobicContact CD2-CD1 3.96Å; L199-L203 HydrophobicContact CG-CD1 3.67Å; L199-L203 HydrophobicContact CG-CG 3.94Å; L199-L203 PolarHBondContact O-N 3.05Å; L199-A255 HydrophobicContact CD1-CB 3.89Å; L199-A259 HydrophobicContact CB-CB 4.2Å; L199-L278 HydrophobicContact CD2-CD2 4.36Å; L199-L331 HydrophobicContact CD2-CD1 4.04Å |
| 200 | V | 94.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.012 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.7 | -58.4 | -175.3 | 157.9 | 0 | 0 | 0 | 0 | 112.5 | L181 F190 V196 F197 I198 A202 L203 L204 L328 L331 L398 | L181-V200 HydrophobicContact CD1-CG1 4.13Å; L181-V200 HydrophobicContact CD1-CG2 4Å; L181-V200 HydrophobicContact CD2-CG1 3.99Å; F190-V200 HydrophobicContact CE1-CG2 4.27Å; V196-V200 WeakPolarHBondContact O-CG2 3.39Å; V196-V200 PolarHBondContact O-N 3.4Å; F197-V200 PolarHBondContact O-N 3.04Å; I198-V200 PolarHBondContact O-N 3.4Å; V200-A202 VanDerWaalsContact C-N 3.29Å; V200-A202 PolarHBondContact O-N 3.32Å; V200-L203 PolarHBondContact O-N 2.9Å; V200-L204 HydrophobicContact CG1-CD1 4.28Å; V200-L204 WeakPolarHBondContact O-CG 3.29Å; V200-L204 PolarHBondContact O-N 3.25Å; V200-L328 HydrophobicContact CB-CD2 4.4Å; V200-L328 HydrophobicContact CG1-CD2 3.71Å; V200-L328 HydrophobicContact CG2-CD2 4.05Å; V200-L331 HydrophobicContact CG2-CD2 3.67Å; V200-L398 HydrophobicContact CG1-CD2 4.45Å |
| 201 | P | 91.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.019 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.2 | -34.1 | 177.8 | -29 | 41.5 | 0 | 0 | 0 | 113.1 | F197 L203 L204 G205 L398 | F197-P201 WeakPolarHBondContact O-CD 3.28Å; P201-L203 PolarHBondContact O-N 3.43Å; P201-L204 PolarHBondContact O-N 3.47Å; P201-G205 PolarHBondContact O-N 2.92Å; P201-L398 HydrophobicContact CG-CB 4.42Å; P201-L398 HydrophobicContact CG-CD2 3.76Å |
| 202 | A | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L199 V200 L206 A255 S392 | L199-A202 PolarHBondContact O-N 3.42Å; V200-A202 VanDerWaalsContact C-N 3.29Å; V200-A202 PolarHBondContact O-N 3.32Å; A202-L206 WeakPolarHBondContact O-CB 3.44Å; A202-L206 PolarHBondContact O-N 3.44Å; A202-A255 HydrophobicContact CB-CB 4.12Å; A202-S392 WeakPolarHBondContact CB-OG 3.2Å |
| 203 | L | 94.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 6.7 Ų | 6.7 | 2% | 0.021 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -73.3 | -37.5 | 178.2 | -75.3 | -179.4 | 0 | 0 | 0 | 113 | L199 V200 P201 L206 K207 T285 A286 T327 L331 | L199-L203 HydrophobicContact CD1-CD1 4Å; L199-L203 HydrophobicContact CD1-CD2 4.42Å; L199-L203 HydrophobicContact CD1-CG 3.82Å; L199-L203 HydrophobicContact CD2-CD1 3.96Å; L199-L203 HydrophobicContact CG-CD1 3.67Å; L199-L203 HydrophobicContact CG-CG 3.94Å; L199-L203 PolarHBondContact O-N 3.05Å; V200-L203 PolarHBondContact O-N 2.9Å; P201-L203 PolarHBondContact O-N 3.43Å; L203-L206 HydrophobicContact CD2-CD2 4.25Å; L203-K207 WeakPolarHBondContact O-CB 3.16Å; L203-K207 PolarHBondContact O-N 3.35Å; L203-T285 HydrophobicContact CD1-CG2 4.24Å; L203-A286 HydrophobicContact CD2-CB 4.19Å; L203-T327 HydrophobicContact CB-CG2 4.23Å; L203-L331 HydrophobicContact CD1-CD1 3.81Å; L203-L331 HydrophobicContact CD1-CD2 4.04Å; L203-L331 HydrophobicContact CD1-CG 4.45Å |
| 204 | L | 92.8 | Very high | 91.1 | Very high | 15 Ų | 15 | 7 Ų | 7 | 8% | 0.079 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -65.5 | -46.5 | 174.7 | -72.3 | -173 | 0 | 0 | 0 | 111.7 | V200 P201 K207 G208 D324 T327 L328 P415 | V200-L204 HydrophobicContact CG1-CD1 4.28Å; V200-L204 WeakPolarHBondContact O-CG 3.29Å; V200-L204 PolarHBondContact O-N 3.25Å; P201-L204 PolarHBondContact O-N 3.47Å; L204-K207 PolarHBondContact O-N 3.05Å; L204-G208 PolarHBondContact O-N 3.47Å; L204-D324 HydrophobicContact CD2-CB 3.83Å; L204-T327 HydrophobicContact CD2-CG2 4.21Å; L204-L328 HydrophobicContact CD1-CD1 4.13Å; L204-L328 HydrophobicContact CD1-CD2 3.97Å; L204-L328 HydrophobicContact CD1-CG 4.17Å; L204-L328 HydrophobicContact CD2-CD2 3.99Å; L204-L328 HydrophobicContact CD2-CG 3.91Å; L204-L328 HydrophobicContact CG-CD2 3.96Å; L204-L328 HydrophobicContact CG-CG 4.32Å; L204-P415 HydrophobicContact CD1-CB 4.5Å |
| 205 | G | 90.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 5.6 Ų | 5.6 | 3% | 0.031 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -59.5 | -47 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P201 K207 G208 N209 D547 | P201-G205 PolarHBondContact O-N 2.92Å; G205-K207 VanDerWaalsContact C-N 3.33Å; G205-K207 PolarHBondContact O-N 3.41Å; G205-G208 PolarHBondContact O-N 3.47Å; G205-G208 VanDerWaalsContact O-N 3.16Å; G205-N209 PolarHBondContact O-N 2.79Å; G205-N209 PolarHBondContact O-ND2 2.82Å; G205-N209 PolarHBondContact O-OD1 2.82Å; G205-D547 WeakPolarHBondContact CA-OD2 3.47Å |
| 206 | L | 89.4 | Confident | 90.2 | Very high | 4 Ų | 4 | 5.1 Ų | 5.1 | 2% | 0.021 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -53.8 | -49 | 174.5 | 174 | 60.2 | 0 | 0 | 0 | 111.8 | A202 L203 N209 L210 V251 V384 | A202-L206 WeakPolarHBondContact O-CB 3.44Å; A202-L206 PolarHBondContact O-N 3.44Å; L203-L206 HydrophobicContact CD2-CD2 4.25Å; L206-N209 PolarHBondContact O-N 3.14Å; L206-L210 HydrophobicContact CD1-CD1 3.69Å; L206-L210 HydrophobicContact CD1-CD2 4.49Å; L206-L210 HydrophobicContact CD1-CG 3.9Å; L206-L210 HydrophobicContact CG-CD1 4.09Å; L206-L210 VanDerWaalsContact O-CG 3.32Å; L206-L210 WeakPolarHBondContact O-CG 3.24Å; L206-L210 PolarHBondContact O-N 2.83Å; L206-V251 HydrophobicContact CD1-CB 3.69Å; L206-V251 HydrophobicContact CD1-CG1 3.5Å; L206-V251 VanDerWaalsContact CD1-CG1 3.5Å; L206-V251 HydrophobicContact CD1-CG2 4.45Å; L206-V251 HydrophobicContact CD2-CB 4.05Å; L206-V251 HydrophobicContact CD2-CG1 4.05Å; L206-V251 HydrophobicContact CG-CG1 4.32Å; L206-V384 HydrophobicContact CD1-CG1 4.06Å |
| 207 | K | 91.2 | Very high | 89.5 | Confident | 12 Ų | 12 | 6.3 Ų | 6.3 | 5% | 0.052 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 177.7 | 162.9 | -100.2 | 155.2 | 166 | 0 | 111.2 | L203 L204 G205 N209 L210 E211 A320 D324 | L203-K207 WeakPolarHBondContact O-CB 3.16Å; L203-K207 PolarHBondContact O-N 3.35Å; L204-K207 PolarHBondContact O-N 3.05Å; G205-K207 VanDerWaalsContact C-N 3.33Å; G205-K207 PolarHBondContact O-N 3.41Å; K207-N209 VanDerWaalsContact C-N 3.31Å; K207-N209 PolarHBondContact O-N 3.4Å; K207-L210 PolarHBondContact O-N 3.06Å; K207-E211 VanDerWaalsContact CE-OE1 3.24Å; K207-E211 WeakPolarHBondContact CE-OE1 3.45Å; K207-E211 WeakPolarHBondContact CE-OE2 3.03Å; K207-E211 HydrophobicContact CG-CG 4.34Å; K207-E211 WeakPolarHBondContact CG-OE1 3.5Å; K207-E211 IonicContact NZ-OE2 3.82Å; K207-E211 WeakPolarHBondContact O-CB 3.48Å; K207-E211 WeakPolarHBondContact O-CG 3.5Å; K207-E211 PolarHBondContact O-N 3.41Å; K207-A320 PolarHBondContact NZ-O 3.37Å; K207-D324 VanDerWaalsContact CD-OD1 3.29Å; K207-D324 WeakPolarHBondContact CD-OD1 3.31Å; K207-D324 IonicContact NZ-OD1 3.22Å; K207-D324 PolarHBondContact NZ-OD1 2.89Å |
| 208 | G | 85.2 | Confident | 89 | Confident | 9 Ų | 9 | 5.9 Ų | 5.9 | 9% | 0.093 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -54.8 | -49.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L204 G205 L210 M212 | L204-G208 PolarHBondContact O-N 3.47Å; G205-G208 PolarHBondContact O-N 3.47Å; G205-G208 VanDerWaalsContact O-N 3.16Å; G208-L210 PolarHBondContact O-N 3.34Å; G208-M212 VanDerWaalsContact O-CB 3.24Å; G208-M212 WeakPolarHBondContact O-CB 3.29Å; G208-M212 WeakPolarHBondContact O-CE 3.45Å; G208-M212 WeakPolarHBondContact O-CG 3.19Å; G208-M212 PolarHBondContact O-N 3.15Å |
| 209 | N | 89.1 | Confident | 88.3 | Confident | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.005 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -58 | -52.3 | -179.5 | -59.9 | -8 | 0 | 0 | 0 | 111.5 | G205 L206 K207 T213 A387 P540 T543 | G205-N209 PolarHBondContact O-N 2.79Å; G205-N209 PolarHBondContact O-ND2 2.82Å; G205-N209 PolarHBondContact O-OD1 2.82Å; L206-N209 PolarHBondContact O-N 3.14Å; K207-N209 VanDerWaalsContact C-N 3.31Å; K207-N209 PolarHBondContact O-N 3.4Å; N209-T213 VanDerWaalsContact O-CB 3.32Å; N209-T213 WeakPolarHBondContact O-CB 3.23Å; N209-T213 PolarHBondContact O-N 2.86Å; N209-T213 PolarHBondContact O-OG1 3.19Å; N209-A387 WeakPolarHBondContact ND2-CB 3.25Å; N209-P540 HydrophobicContact CB-CB 4.29Å; N209-P540 HydrophobicContact CB-CG 4.47Å; N209-T543 WeakPolarHBondContact OD1-CB 3.46Å; N209-T543 PolarHBondContact OD1-OG1 3.49Å |
| 210 | L | 89.6 | Confident | 87.4 | Confident | 7 Ų | 7 | 7.4 Ų | 7.4 | 4% | 0.037 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -70.2 | -38.6 | -174.7 | -63.9 | -177.5 | 0 | 0 | 0 | 112.8 | L206 K207 G208 L214 K244 Q247 A248 V384 | L206-L210 HydrophobicContact CD1-CD1 3.69Å; L206-L210 HydrophobicContact CD1-CD2 4.49Å; L206-L210 HydrophobicContact CD1-CG 3.9Å; L206-L210 HydrophobicContact CG-CD1 4.09Å; L206-L210 VanDerWaalsContact O-CG 3.32Å; L206-L210 WeakPolarHBondContact O-CG 3.24Å; L206-L210 PolarHBondContact O-N 2.83Å; K207-L210 PolarHBondContact O-N 3.06Å; G208-L210 PolarHBondContact O-N 3.34Å; L210-L214 WeakPolarHBondContact O-CB 3.33Å; L210-L214 PolarHBondContact O-N 2.81Å; L210-K244 HydrophobicContact CB-CG 4.18Å; L210-K244 HydrophobicContact CD1-CG 4.48Å; L210-Q247 HydrophobicContact CD1-CB 4.12Å; L210-Q247 HydrophobicContact CD2-CB 3.63Å; L210-Q247 HydrophobicContact CD2-CG 4.39Å; L210-A248 HydrophobicContact CD1-CB 3.69Å; L210-V384 HydrophobicContact CD2-CG1 4.08Å; L210-V384 HydrophobicContact CD2-CG2 4.45Å |
| 211 | E | 88.5 | Confident | 86.7 | Confident | 3 Ų | 3 | 7.6 Ų | 7.6 | 1% | 0.014 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -69.5 | -44.6 | 177.3 | -75.2 | -178.1 | -172 | 0 | 0 | 112.4 | K207 L214 A215 Q293 M297 | K207-E211 VanDerWaalsContact CE-OE1 3.24Å; K207-E211 WeakPolarHBondContact CE-OE1 3.45Å; K207-E211 WeakPolarHBondContact CE-OE2 3.03Å; K207-E211 HydrophobicContact CG-CG 4.34Å; K207-E211 WeakPolarHBondContact CG-OE1 3.5Å; K207-E211 IonicContact NZ-OE2 3.82Å; K207-E211 WeakPolarHBondContact O-CB 3.48Å; K207-E211 WeakPolarHBondContact O-CG 3.5Å; K207-E211 PolarHBondContact O-N 3.41Å; E211-L214 PolarHBondContact O-N 3.4Å; E211-A215 WeakPolarHBondContact O-CB 3.5Å; E211-A215 PolarHBondContact O-N 2.63Å; E211-Q293 WeakPolarHBondContact OE1-CB 3.37Å; E211-Q293 WeakPolarHBondContact OE1-CG 3.49Å; E211-Q293 PolarHBondContact OE1-OE1 2.93Å; E211-M297 HydrophobicContact CB-CE 4.11Å |
| 212 | M | 85.9 | Confident | 86.1 | Confident | 11 Ų | 11 | 8.2 Ų | 8.2 | 5% | 0.054 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -68.8 | -40 | -178.4 | -69.4 | -173.9 | -88.2 | 0 | 0 | 111.4 | G208 A215 S216 T316 A426 I539 T543 | G208-M212 VanDerWaalsContact O-CB 3.24Å; G208-M212 WeakPolarHBondContact O-CB 3.29Å; G208-M212 WeakPolarHBondContact O-CE 3.45Å; G208-M212 WeakPolarHBondContact O-CG 3.19Å; G208-M212 PolarHBondContact O-N 3.15Å; M212-A215 PolarHBondContact O-N 2.98Å; M212-S216 PolarHBondContact O-N 3.28Å; M212-T316 HydrophobicContact CG-CG2 3.72Å; M212-T316 HydrophobicContact SD-CG2 4.02Å; M212-A426 HydrophobicContact CE-CB 4.37Å; M212-A426 HydrophobicContact CG-CB 4.45Å; M212-A426 HydrophobicContact SD-CB 3.19Å; M212-A426 WeakPolarHBondContact SD-CB 3.08Å; M212-I539 HydrophobicContact CB-CG2 3.81Å; M212-T543 HydrophobicContact CE-CG2 3.35Å; M212-T543 HydrophobicContact SD-CG2 4.28Å |
| 213 | T | 86 | Confident | 85.1 | Confident | 12 Ų | 12 | 12 Ų | 12 | 7% | 0.074 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 172.3 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | N209 S216 R217 | N209-T213 VanDerWaalsContact O-CB 3.32Å; N209-T213 WeakPolarHBondContact O-CB 3.23Å; N209-T213 PolarHBondContact O-N 2.86Å; N209-T213 PolarHBondContact O-OG1 3.19Å; T213-S216 PolarHBondContact O-N 2.99Å; T213-R217 WeakPolarHBondContact O-CG 3.33Å; T213-R217 PolarHBondContact O-N 3.22Å; T213-R217 VanDerWaalsContact O-N 3.09Å |
| 214 | L | 87.2 | Confident | 84.2 | Confident | 5 Ų | 5 | 16.1 Ų | 16.1 | 3% | 0.026 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | 174.5 | 175.5 | 66 | 0 | 0 | 0 | 111.7 | L210 E211 R217 L218 N240 L241 K244 M297 | L210-L214 WeakPolarHBondContact O-CB 3.33Å; L210-L214 PolarHBondContact O-N 2.81Å; E211-L214 PolarHBondContact O-N 3.4Å; L214-R217 PolarHBondContact O-N 3.41Å; L214-L218 HydrophobicContact CD1-CD1 3.65Å; L214-L218 HydrophobicContact CD1-CG 3.93Å; L214-L218 HydrophobicContact CG-CD1 4.01Å; L214-L218 WeakPolarHBondContact O-CB 3.48Å; L214-L218 WeakPolarHBondContact O-CG 3.13Å; L214-L218 PolarHBondContact O-N 2.84Å; L214-N240 HydrophobicContact CD1-CB 3.51Å; L214-L241 HydrophobicContact CD2-CD2 3.91Å; L214-K244 HydrophobicContact CD2-CD 3.78Å; L214-M297 HydrophobicContact CD2-CB 4.41Å; L214-M297 HydrophobicContact CD2-CG 4.05Å; L214-M297 HydrophobicContact CG-CG 4.42Å |
| 215 | A | 85.5 | Confident | 83.1 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.6 | -49.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | E211 M212 R217 L218 S219 M297 A315 | E211-A215 WeakPolarHBondContact O-CB 3.5Å; E211-A215 PolarHBondContact O-N 2.63Å; M212-A215 PolarHBondContact O-N 2.98Å; A215-R217 PolarHBondContact O-N 3.41Å; A215-L218 PolarHBondContact O-N 3.37Å; A215-S219 VanDerWaalsContact O-CB 3.23Å; A215-S219 WeakPolarHBondContact O-CB 3.5Å; A215-S219 PolarHBondContact O-N 3.1Å; A215-S219 PolarHBondContact O-OG 3.34Å; A215-M297 HydrophobicContact CB-CE 3.76Å; A215-M297 HydrophobicContact CB-SD 3.99Å; A215-A315 HydrophobicContact CB-CB 4.3Å |
| 216 | S | 80.9 | Confident | 81.9 | Confident | 6 Ų | 6 | 19.5 Ų | 19.5 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.8 | -47 | 179.6 | -152.2 | 0 | 0 | 0 | 0 | 111.9 | M212 T213 T220 D535 | M212-S216 PolarHBondContact O-N 3.28Å; T213-S216 PolarHBondContact O-N 2.99Å; S216-T220 VanDerWaalsContact O-CB 3.24Å; S216-T220 WeakPolarHBondContact O-CB 3.41Å; S216-T220 PolarHBondContact O-N 3.25Å; S216-T220 PolarHBondContact O-OG1 3.44Å; S216-D535 VanDerWaalsContact OG-CG 3.27Å; S216-D535 PolarHBondContact OG-OD2 3.37Å |
| 217 | R | 81.2 | Confident | 80.7 | Confident | 26 Ų | 26 | 19.5 Ų | 19.5 | 10% | 0.098 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -48.6 | -179.8 | -73.3 | 177.1 | -180 | 163.1 | 3.7 | 112.9 | T213 L214 A215 A221 L243 V376 S536 | T213-R217 WeakPolarHBondContact O-CG 3.33Å; T213-R217 PolarHBondContact O-N 3.22Å; T213-R217 VanDerWaalsContact O-N 3.09Å; L214-R217 PolarHBondContact O-N 3.41Å; A215-R217 PolarHBondContact O-N 3.41Å; R217-A221 WeakPolarHBondContact O-CB 3.43Å; R217-A221 PolarHBondContact O-N 3.43Å; R217-L243 VanDerWaalsContact NH1-CD2 3.33Å; R217-V376 VanDerWaalsContact CZ-CG2 3.49Å; R217-S536 PolarHBondContact NH2-OG 3.41Å |
| 218 | L | 83.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.1 | -38.9 | -177.9 | -71 | -177.2 | 0 | 0 | 0 | 111.6 | L214 A215 A221 V222 L236 I237 N240 I301 | L214-L218 HydrophobicContact CD1-CD1 3.65Å; L214-L218 HydrophobicContact CD1-CG 3.93Å; L214-L218 HydrophobicContact CG-CD1 4.01Å; L214-L218 WeakPolarHBondContact O-CB 3.48Å; L214-L218 WeakPolarHBondContact O-CG 3.13Å; L214-L218 PolarHBondContact O-N 2.84Å; A215-L218 PolarHBondContact O-N 3.37Å; L218-A221 PolarHBondContact O-N 2.9Å; L218-V222 WeakPolarHBondContact O-CG2 3.34Å; L218-V222 PolarHBondContact O-N 3.24Å; L218-L236 HydrophobicContact CD2-CD2 4.22Å; L218-L236 HydrophobicContact CD2-CG 4.13Å; L218-I237 HydrophobicContact CD2-CG1 4.22Å; L218-N240 HydrophobicContact CD2-CB 4.31Å; L218-I301 HydrophobicContact CB-CD1 3.55Å; L218-I301 HydrophobicContact CD1-CD1 3.72Å; L218-I301 HydrophobicContact CG-CD1 4.3Å |
| 219 | S | 79.1 | Confident | 79.1 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.8 | -41.8 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | A215 A221 V222 N223 P311 D312 | A215-S219 VanDerWaalsContact O-CB 3.23Å; A215-S219 WeakPolarHBondContact O-CB 3.5Å; A215-S219 PolarHBondContact O-N 3.1Å; A215-S219 PolarHBondContact O-OG 3.34Å; S219-A221 VanDerWaalsContact C-N 3.32Å; S219-A221 PolarHBondContact O-N 3.21Å; S219-V222 PolarHBondContact O-N 3.16Å; S219-N223 WeakPolarHBondContact O-CB 3.46Å; S219-N223 VanDerWaalsContact O-CG 3.28Å; S219-N223 PolarHBondContact O-N 3.32Å; S219-N223 PolarHBondContact O-ND2 2.93Å; S219-P311 WeakPolarHBondContact OG-CB 3.43Å; S219-D312 WeakPolarHBondContact CB-OD1 3.43Å |
| 220 | T | 76.1 | Confident | 78.7 | Confident | 30 Ų | 30 | 30 Ų | 30 | 18% | 0.184 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.6 | -45.5 | 172.8 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | M129 S216 V222 N223 I224 | M129-T220 HydrophobicContact CE-CG2 4.32Å; S216-T220 VanDerWaalsContact O-CB 3.24Å; S216-T220 WeakPolarHBondContact O-CB 3.41Å; S216-T220 PolarHBondContact O-N 3.25Å; S216-T220 PolarHBondContact O-OG1 3.44Å; T220-V222 PolarHBondContact O-N 2.87Å; T220-N223 PolarHBondContact O-N 2.81Å; T220-I224 HydrophobicContact CG2-CD1 3.59Å; T220-I224 HydrophobicContact CG2-CG1 4.4Å; T220-I224 VanDerWaalsContact O-CG1 3.27Å; T220-I224 WeakPolarHBondContact O-CG1 3.44Å; T220-I224 PolarHBondContact O-N 3.39Å |
| 221 | A | 78.8 | Confident | 78.3 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 5% | 0.05 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.1 | -35.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R217 L218 S219 K226 M227 L236 | R217-A221 WeakPolarHBondContact O-CB 3.43Å; R217-A221 PolarHBondContact O-N 3.43Å; L218-A221 PolarHBondContact O-N 2.9Å; S219-A221 VanDerWaalsContact C-N 3.32Å; S219-A221 PolarHBondContact O-N 3.21Å; A221-K226 PolarHBondContact O-N 3.4Å; A221-M227 HydrophobicContact CB-CG 4.46Å; A221-M227 HydrophobicContact CB-SD 4.12Å; A221-L236 HydrophobicContact CB-CD2 3.35Å |
| 222 | V | 78.5 | Confident | 77.9 | Confident | 17 Ų | 17 | 40.2 Ų | 40.2 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 171.8 | 170.1 | 0 | 0 | 0 | 0 | 110.3 | L218 S219 T220 G225 M227 I301 K305 P311 | L218-V222 WeakPolarHBondContact O-CG2 3.34Å; L218-V222 PolarHBondContact O-N 3.24Å; S219-V222 PolarHBondContact O-N 3.16Å; T220-V222 PolarHBondContact O-N 2.87Å; V222-G225 PolarHBondContact O-N 3.48Å; V222-M227 HydrophobicContact CB-SD 4.14Å; V222-M227 HydrophobicContact CG2-CE 3.9Å; V222-M227 HydrophobicContact CG2-SD 3.23Å; V222-M227 WeakPolarHBondContact CG2-SD 3.25Å; V222-I301 HydrophobicContact CG2-CG2 3.78Å; V222-K305 HydrophobicContact CG1-CB 4.48Å; V222-K305 HydrophobicContact CG1-CD 4.26Å; V222-P311 HydrophobicContact CB-CG 4.24Å; V222-P311 HydrophobicContact CG1-CG 4.12Å |
| 223 | N | 74.4 | Confident | 77.8 | Confident | 79 Ų | 79 | 41.2 Ų | 41.2 | 42% | 0.422 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.3 | -31.3 | -173 | -72 | -19.6 | 0 | 0 | 0 | 113.1 | S219 T220 G225 N310 D312 | S219-N223 WeakPolarHBondContact O-CB 3.46Å; S219-N223 VanDerWaalsContact O-CG 3.28Å; S219-N223 PolarHBondContact O-N 3.32Å; S219-N223 PolarHBondContact O-ND2 2.93Å; T220-N223 PolarHBondContact O-N 2.81Å; N223-G225 PolarHBondContact O-N 3.46Å; N223-N310 PolarHBondContact ND2-OD1 3.38Å; N223-D312 PolarHBondContact ND2-OD2 2.95Å |
| 224 | I | 75.5 | Confident | 77.8 | Confident | 90 Ų | 90 | 47.1 Ų | 47.1 | 46% | 0.462 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -12.3 | 174.9 | -64.8 | 169.4 | 0 | 0 | 0 | 111.8 | T220 K226 | T220-I224 HydrophobicContact CG2-CD1 3.59Å; T220-I224 HydrophobicContact CG2-CG1 4.4Å; T220-I224 VanDerWaalsContact O-CG1 3.27Å; T220-I224 WeakPolarHBondContact O-CG1 3.44Å; T220-I224 PolarHBondContact O-N 3.39Å; I224-K226 HydrophobicContact CG2-CG 4.06Å |
| 225 | G | 69.3 | Low | 77.9 | Confident | 30 Ų | 30 | 51 Ų | 51 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 1.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V222 N223 M227 D228 | V222-G225 PolarHBondContact O-N 3.48Å; N223-G225 PolarHBondContact O-N 3.46Å; G225-M227 PolarHBondContact O-N 2.69Å; G225-D228 PolarHBondContact O-N 3.48Å |
| 226 | K | 65.5 | Low | 78 | Confident | 60 Ų | 60 | 51.7 Ų | 51.7 | 26% | 0.261 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 9.4 | 177.7 | -68.6 | -159.7 | 171 | -135.8 | 0 | 115.1 | M129 L130 A221 I224 | M129-K226 WeakPolarHBondContact O-CD 3.16Å; M129-K226 WeakPolarHBondContact O-CE 3.47Å; M129-K226 PolarHBondContact O-NZ 3.45Å; L130-K226 PolarHBondContact O-NZ 3.09Å; A221-K226 PolarHBondContact O-N 3.4Å; I224-K226 HydrophobicContact CG2-CG 4.06Å |
| 227 | M | 64.3 | Low | 78.4 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.02 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 25.7 | -179.4 | -70.9 | 176.2 | 79.2 | 0 | 0 | 112.4 | A221 V222 G225 K233 L236 I237 K305 | A221-M227 HydrophobicContact CB-CG 4.46Å; A221-M227 HydrophobicContact CB-SD 4.12Å; V222-M227 HydrophobicContact CB-SD 4.14Å; V222-M227 HydrophobicContact CG2-CE 3.9Å; V222-M227 HydrophobicContact CG2-SD 3.23Å; V222-M227 WeakPolarHBondContact CG2-SD 3.25Å; G225-M227 PolarHBondContact O-N 2.69Å; M227-K233 HydrophobicContact CB-CB 4.23Å; M227-K233 HydrophobicContact CB-CD 4.45Å; M227-K233 HydrophobicContact CB-CG 4.1Å; M227-K233 HydrophobicContact CE-CD 4.25Å; M227-K233 HydrophobicContact CE-CG 3.57Å; M227-K233 HydrophobicContact CG-CB 4.39Å; M227-K233 HydrophobicContact CG-CG 4.22Å; M227-L236 HydrophobicContact CG-CD2 4.25Å; M227-L236 HydrophobicContact SD-CD2 4.26Å; M227-I237 HydrophobicContact CE-CD1 3.75Å; M227-I237 HydrophobicContact CE-CG1 3.93Å; M227-K305 VanDerWaalsContact C-NZ 3.33Å; M227-K305 PolarHBondContact O-NZ 3.22Å |
| 228 | D | 65.8 | Low | 79 | Confident | 121 Ų | 121 | 54.1 Ų | 54.1 | 65% | 0.647 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -85.4 | -33.3 | 178.2 | -69.3 | -17.2 | 0 | 0 | 0 | 112.3 | G225 K305 | G225-D228 PolarHBondContact O-N 3.48Å; D228-K305 IonicContact OD1-NZ 2.72Å; D228-K305 PolarHBondContact OD1-NZ 3.37Å |
| 229 | S | 76.8 | Confident | 79.4 | Confident | 34 Ų | 34 | 54.2 Ų | 54.2 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -75.5 | 124.7 | 166.1 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | I231 E232 K233 | S229-I231 PolarHBondContact O-N 3.02Å; S229-E232 VanDerWaalsContact CB-CD 3.4Å; S229-E232 VanDerWaalsContact CB-OE1 3.23Å; S229-E232 WeakPolarHBondContact CB-OE1 3.37Å; S229-E232 WeakPolarHBondContact CB-OE2 3.43Å; S229-E232 PolarHBondContact OG-OE1 3.29Å; S229-K233 WeakPolarHBondContact O-CB 3.45Å; S229-K233 PolarHBondContact O-N 3.17Å |
| 230 | P | 79.5 | Confident | 80 | Confident | 86 Ų | 86 | 54.5 Ų | 54.5 | 56% | 0.558 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.4 | -28.4 | -178.7 | 25 | -33.4 | 0 | 0 | 0 | 112.6 | W234 | P230-W234 PolarHBondContact O-N 3.01Å; P230-W234 VanDerWaalsContact O-N 3.17Å |
| 231 | I | 81.6 | Confident | 80.8 | Confident | 119 Ų | 119 | 55 Ų | 55 | 61% | 0.61 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -74.6 | -51.8 | -178.2 | -64.9 | 165.5 | 0 | 0 | 0 | 110 | S229 K233 W234 N235 | S229-I231 PolarHBondContact O-N 3.02Å; I231-K233 VanDerWaalsContact C-N 3.28Å; I231-K233 PolarHBondContact O-N 2.85Å; I231-W234 PolarHBondContact O-N 3.01Å; I231-N235 WeakPolarHBondContact O-CB 3.4Å; I231-N235 VanDerWaalsContact O-CG 3.26Å; I231-N235 PolarHBondContact O-N 2.75Å; I231-N235 PolarHBondContact O-ND2 2.89Å |
| 232 | E | 80.6 | Confident | 81.6 | Confident | 107 Ų | 107 | 54.7 Ų | 54.7 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 175.9 | -74.6 | 147 | -126.9 | 0 | 0 | 111.2 | S229 W234 N235 L236 | S229-E232 VanDerWaalsContact CB-CD 3.4Å; S229-E232 VanDerWaalsContact CB-OE1 3.23Å; S229-E232 WeakPolarHBondContact CB-OE1 3.37Å; S229-E232 WeakPolarHBondContact CB-OE2 3.43Å; S229-E232 PolarHBondContact OG-OE1 3.29Å; E232-W234 PolarHBondContact O-N 3.1Å; E232-N235 PolarHBondContact O-N 3.34Å; E232-L236 WeakPolarHBondContact O-CB 3.46Å; E232-L236 PolarHBondContact O-N 3.4Å |
| 233 | K | 83 | Confident | 82.3 | Confident | 32 Ų | 32 | 54 Ų | 54 | 14% | 0.139 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -53 | -52.3 | 175.2 | 179.4 | -178.7 | 177.3 | -179.3 | 0 | 112.1 | M227 S229 I231 I237 | M227-K233 HydrophobicContact CB-CB 4.23Å; M227-K233 HydrophobicContact CB-CD 4.45Å; M227-K233 HydrophobicContact CB-CG 4.1Å; M227-K233 HydrophobicContact CE-CD 4.25Å; M227-K233 HydrophobicContact CE-CG 3.57Å; M227-K233 HydrophobicContact CG-CB 4.39Å; M227-K233 HydrophobicContact CG-CG 4.22Å; S229-K233 WeakPolarHBondContact O-CB 3.45Å; S229-K233 PolarHBondContact O-N 3.17Å; I231-K233 VanDerWaalsContact C-N 3.28Å; I231-K233 PolarHBondContact O-N 2.85Å; K233-I237 HydrophobicContact CG-CD1 3.93Å; K233-I237 WeakPolarHBondContact O-CB 3.41Å; K233-I237 WeakPolarHBondContact O-CD1 3.48Å; K233-I237 WeakPolarHBondContact O-CG1 3.29Å; K233-I237 PolarHBondContact O-N 3.17Å; K233-I237 VanDerWaalsContact O-N 3.07Å |
| 234 | W | 87.2 | Confident | 83.3 | Confident | 136 Ų | 136 | 50.6 Ų | 50.6 | 52% | 0.515 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -71.1 | -35.7 | -179.1 | -82.1 | 113.8 | 0 | 0 | 0 | 112.2 | P230 I231 E232 I237 I238 | P230-W234 PolarHBondContact O-N 3.01Å; P230-W234 VanDerWaalsContact O-N 3.17Å; I231-W234 PolarHBondContact O-N 3.01Å; E232-W234 PolarHBondContact O-N 3.1Å; W234-I237 HydrophobicContact CE3-CG2 4.36Å; W234-I237 HydrophobicContact CZ3-CG2 4.43Å; W234-I237 PolarHBondContact O-N 3.18Å; W234-I238 HydrophobicContact CB-CD1 4.48Å; W234-I238 VanDerWaalsContact O-CB 3.27Å; W234-I238 WeakPolarHBondContact O-CB 3.31Å; W234-I238 WeakPolarHBondContact O-CD1 3.5Å; W234-I238 WeakPolarHBondContact O-CG1 3.49Å; W234-I238 PolarHBondContact O-N 2.93Å |
| 235 | N | 88.3 | Confident | 84.2 | Confident | 85 Ų | 85 | 46.5 Ų | 46.5 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.8 | -44 | 175.8 | -73.1 | -16.7 | 0 | 0 | 0 | 111.9 | I231 E232 G239 | I231-N235 WeakPolarHBondContact O-CB 3.4Å; I231-N235 VanDerWaalsContact O-CG 3.26Å; I231-N235 PolarHBondContact O-N 2.75Å; I231-N235 PolarHBondContact O-ND2 2.89Å; E232-N235 PolarHBondContact O-N 3.34Å; N235-G239 PolarHBondContact O-N 3Å |
| 236 | L | 87.8 | Confident | 85.5 | Confident | 17 Ų | 17 | 45.1 Ų | 45.1 | 9% | 0.089 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -45.9 | 176 | -179.4 | 70.4 | 0 | 0 | 0 | 111.5 | L218 A221 M227 E232 G239 N240 | L218-L236 HydrophobicContact CD2-CD2 4.22Å; L218-L236 HydrophobicContact CD2-CG 4.13Å; A221-L236 HydrophobicContact CB-CD2 3.35Å; M227-L236 HydrophobicContact CG-CD2 4.25Å; M227-L236 HydrophobicContact SD-CD2 4.26Å; E232-L236 WeakPolarHBondContact O-CB 3.46Å; E232-L236 PolarHBondContact O-N 3.4Å; L236-G239 PolarHBondContact O-N 3.36Å; L236-N240 WeakPolarHBondContact CD1-ND2 3.43Å; L236-N240 WeakPolarHBondContact O-CB 3.2Å; L236-N240 PolarHBondContact O-N 2.98Å; L236-N240 PolarHBondContact O-ND2 3.24Å |
| 237 | I | 90.1 | Very high | 86.9 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61 | -50.2 | 177.6 | -72.3 | 167.7 | 0 | 0 | 0 | 110.3 | L218 M227 K233 W234 G239 N240 L241 V298 V302 | L218-I237 HydrophobicContact CD2-CG1 4.22Å; M227-I237 HydrophobicContact CE-CD1 3.75Å; M227-I237 HydrophobicContact CE-CG1 3.93Å; K233-I237 HydrophobicContact CG-CD1 3.93Å; K233-I237 WeakPolarHBondContact O-CB 3.41Å; K233-I237 WeakPolarHBondContact O-CD1 3.48Å; K233-I237 WeakPolarHBondContact O-CG1 3.29Å; K233-I237 PolarHBondContact O-N 3.17Å; K233-I237 VanDerWaalsContact O-N 3.07Å; W234-I237 HydrophobicContact CE3-CG2 4.36Å; W234-I237 HydrophobicContact CZ3-CG2 4.43Å; W234-I237 PolarHBondContact O-N 3.18Å; I237-G239 PolarHBondContact O-N 2.63Å; I237-N240 PolarHBondContact O-N 3.34Å; I237-L241 HydrophobicContact CG2-CD1 4.05Å; I237-L241 HydrophobicContact CG2-CG 4.27Å; I237-L241 WeakPolarHBondContact O-CB 3.42Å; I237-L241 WeakPolarHBondContact O-CG 3.39Å; I237-L241 PolarHBondContact O-N 3.17Å; I237-V298 HydrophobicContact CD1-CG1 4.29Å; I237-V298 HydrophobicContact CG2-CB 4.4Å; I237-V298 HydrophobicContact CG2-CG1 3.94Å; I237-V298 HydrophobicContact CG2-CG2 3.49Å; I237-V298 VanDerWaalsContact CG2-CG2 3.49Å; I237-V302 HydrophobicContact CD1-CG2 4.25Å |
| 238 | I | 93 | Very high | 88.4 | Confident | 80 Ų | 80 | 42.6 Ų | 42.6 | 41% | 0.41 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.3 | -43.1 | -178.4 | -70.7 | 166.2 | 0 | 0 | 0 | 110.6 | W234 L241 A242 I366 | W234-I238 HydrophobicContact CB-CD1 4.48Å; W234-I238 VanDerWaalsContact O-CB 3.27Å; W234-I238 WeakPolarHBondContact O-CB 3.31Å; W234-I238 WeakPolarHBondContact O-CD1 3.5Å; W234-I238 WeakPolarHBondContact O-CG1 3.49Å; W234-I238 PolarHBondContact O-N 2.93Å; I238-L241 PolarHBondContact O-N 3.44Å; I238-A242 VanDerWaalsContact O-CB 3.27Å; I238-A242 WeakPolarHBondContact O-CB 3.19Å; I238-A242 PolarHBondContact O-N 2.96Å; I238-I366 HydrophobicContact CG2-CG2 3.56Å |
| 239 | G | 92.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N235 L236 I237 A242 L243 T373 | N235-G239 PolarHBondContact O-N 3Å; L236-G239 PolarHBondContact O-N 3.36Å; I237-G239 PolarHBondContact O-N 2.63Å; G239-A242 PolarHBondContact O-N 3.41Å; G239-L243 WeakPolarHBondContact O-CB 3.32Å; G239-L243 PolarHBondContact O-N 2.92Å; G239-T373 VanDerWaalsContact C-CG2 3.44Å |
| 240 | N | 91.7 | Very high | 90.8 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.1 | -36.4 | -179.5 | -83 | -81.1 | 0 | 0 | 0 | 112.7 | L214 L218 L236 I237 L243 K244 T373 | L214-N240 HydrophobicContact CD1-CB 3.51Å; L218-N240 HydrophobicContact CD2-CB 4.31Å; L236-N240 WeakPolarHBondContact CD1-ND2 3.43Å; L236-N240 WeakPolarHBondContact O-CB 3.2Å; L236-N240 PolarHBondContact O-N 2.98Å; L236-N240 PolarHBondContact O-ND2 3.24Å; I237-N240 PolarHBondContact O-N 3.34Å; N240-L243 PolarHBondContact O-N 2.94Å; N240-K244 WeakPolarHBondContact O-CB 3.08Å; N240-K244 PolarHBondContact O-N 3.31Å; N240-T373 HydrophobicContact CB-CG2 4.3Å |
| 241 | L | 93.6 | Very high | 91.5 | Very high | 41 Ų | 41 | 33.3 Ų | 33.3 | 22% | 0.215 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 172.4 | -75.5 | -173.1 | 0 | 0 | 0 | 111.7 | L214 I237 I238 K244 Q245 V298 | L214-L241 HydrophobicContact CD2-CD2 3.91Å; I237-L241 HydrophobicContact CG2-CD1 4.05Å; I237-L241 HydrophobicContact CG2-CG 4.27Å; I237-L241 WeakPolarHBondContact O-CB 3.42Å; I237-L241 WeakPolarHBondContact O-CG 3.39Å; I237-L241 PolarHBondContact O-N 3.17Å; I238-L241 PolarHBondContact O-N 3.44Å; L241-K244 PolarHBondContact O-N 3.27Å; L241-Q245 WeakPolarHBondContact O-CB 3.46Å; L241-Q245 PolarHBondContact O-N 3.04Å; L241-V298 HydrophobicContact CD1-CG2 3.86Å; L241-V298 HydrophobicContact CD2-CG2 4.02Å; L241-V298 HydrophobicContact CG-CG2 4.09Å |
| 242 | A | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I238 G239 Q245 V246 W363 I366 A367 | I238-A242 VanDerWaalsContact O-CB 3.27Å; I238-A242 WeakPolarHBondContact O-CB 3.19Å; I238-A242 PolarHBondContact O-N 2.96Å; G239-A242 PolarHBondContact O-N 3.41Å; A242-Q245 WeakPolarHBondContact O-CB 3.17Å; A242-Q245 PolarHBondContact O-N 3.05Å; A242-V246 WeakPolarHBondContact O-CG2 3.28Å; A242-V246 PolarHBondContact O-N 3.45Å; A242-W363 HydrophobicContact CB-CE3 3.92Å; A242-I366 HydrophobicContact CB-CB 3.81Å; A242-I366 HydrophobicContact CB-CG2 3.55Å; A242-A367 HydrophobicContact CB-CB 3.98Å |
| 243 | L | 93.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.3 | -47.9 | 174.3 | 176.7 | 65.8 | 0 | 0 | 0 | 111.6 | R217 G239 N240 Q245 V246 Q247 A367 T373 V376 L377 | R217-L243 VanDerWaalsContact NH1-CD2 3.33Å; G239-L243 WeakPolarHBondContact O-CB 3.32Å; G239-L243 PolarHBondContact O-N 2.92Å; N240-L243 PolarHBondContact O-N 2.94Å; L243-Q245 VanDerWaalsContact C-N 3.26Å; L243-Q245 PolarHBondContact O-N 3.03Å; L243-V246 PolarHBondContact O-N 2.89Å; L243-Q247 HydrophobicContact CD1-CG 4.37Å; L243-Q247 WeakPolarHBondContact O-CG 3.46Å; L243-Q247 PolarHBondContact O-N 3.47Å; L243-A367 HydrophobicContact CB-CB 4.16Å; L243-T373 HydrophobicContact CD2-CG2 4.28Å; L243-V376 HydrophobicContact CD1-CG1 4.49Å; L243-V376 HydrophobicContact CD2-CB 3.69Å; L243-V376 HydrophobicContact CD2-CG1 3.74Å; L243-V376 HydrophobicContact CD2-CG2 4.25Å; L243-L377 HydrophobicContact CD1-CB 4.09Å; L243-L377 HydrophobicContact CD1-CD1 4Å |
| 244 | K | 93.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 3% | 0.03 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55 | -44.2 | 174.1 | 176.2 | 178.6 | -178.5 | -154.4 | 0 | 110.9 | L210 L214 N240 L241 Q247 A248 S290 | L210-K244 HydrophobicContact CB-CG 4.18Å; L210-K244 HydrophobicContact CD1-CG 4.48Å; L214-K244 HydrophobicContact CD2-CD 3.78Å; N240-K244 WeakPolarHBondContact O-CB 3.08Å; N240-K244 PolarHBondContact O-N 3.31Å; L241-K244 PolarHBondContact O-N 3.27Å; K244-Q247 PolarHBondContact O-N 3.22Å; K244-A248 VanDerWaalsContact O-CB 3.25Å; K244-A248 WeakPolarHBondContact O-CB 3.4Å; K244-A248 PolarHBondContact O-N 3.35Å; K244-S290 PolarHBondContact NZ-O 2.89Å |
| 245 | Q | 95.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.8 | -41.6 | -179.1 | -162 | 65.9 | 38.7 | 0 | 0 | 112.4 | L241 A242 L243 T249 F287 S290 W363 | L241-Q245 WeakPolarHBondContact O-CB 3.46Å; L241-Q245 PolarHBondContact O-N 3.04Å; A242-Q245 WeakPolarHBondContact O-CB 3.17Å; A242-Q245 PolarHBondContact O-N 3.05Å; L243-Q245 VanDerWaalsContact C-N 3.26Å; L243-Q245 PolarHBondContact O-N 3.03Å; Q245-T249 WeakPolarHBondContact O-CB 3.06Å; Q245-T249 PolarHBondContact O-N 3.2Å; Q245-T249 PolarHBondContact O-OG1 3.33Å; Q245-F287 HydrophobicContact CG-CD2 4.46Å; Q245-F287 HydrophobicContact CG-CE2 4.13Å; Q245-F287 PolarHBondContact NE2-O 3.49Å; Q245-S290 PolarHBondContact NE2-OG 3.41Å; Q245-S290 PolarHBondContact OE1-OG 2.89Å; Q245-W363 HydrophobicContact CB-CB 4.35Å; Q245-W363 HydrophobicContact CB-CD2 3.92Å; Q245-W363 HydrophobicContact CB-CE3 4.22Å; Q245-W363 HydrophobicContact CB-CG 3.97Å; Q245-W363 HydrophobicContact CG-CD2 3.68Å; Q245-W363 HydrophobicContact CG-CE3 4.33Å; Q245-W363 HydrophobicContact CG-CG 3.77Å; Q245-W363 HydrophobicContact CG-CZ2 4.14Å |
| 246 | V | 95.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.8 | -51.8 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | A242 L243 A248 T249 V250 T360 W363 I364 L377 W381 | A242-V246 WeakPolarHBondContact O-CG2 3.28Å; A242-V246 PolarHBondContact O-N 3.45Å; L243-V246 PolarHBondContact O-N 2.89Å; V246-A248 PolarHBondContact O-N 3.44Å; V246-T249 PolarHBondContact O-N 3.13Å; V246-V250 HydrophobicContact CG1-CG2 4.48Å; V246-V250 WeakPolarHBondContact O-CB 3.03Å; V246-V250 WeakPolarHBondContact O-CG2 3.4Å; V246-V250 PolarHBondContact O-N 3.04Å; V246-T360 HydrophobicContact CG1-CG2 4.33Å; V246-W363 VanDerWaalsContact CG2-C 3.45Å; V246-W363 HydrophobicContact CG2-CB 3.44Å; V246-W363 VanDerWaalsContact CG2-CB 3.44Å; V246-I364 HydrophobicContact CB-CG1 4.46Å; V246-I364 HydrophobicContact CG1-CD1 4.47Å; V246-I364 HydrophobicContact CG1-CG1 3.84Å; V246-I364 HydrophobicContact CG2-CB 4.4Å; V246-I364 HydrophobicContact CG2-CG1 3.66Å; V246-L377 HydrophobicContact CG1-CD1 4.09Å; V246-W381 HydrophobicContact CG1-CH2 3.81Å; V246-W381 HydrophobicContact CG1-CZ2 3.99Å |
| 247 | Q | 95 | Very high | 95 | Very high | 9 Ų | 9 | 18.1 Ų | 18.1 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | -178.7 | -69.3 | 179.9 | -45.4 | 0 | 0 | 111.4 | L210 L243 K244 T249 V251 W381 | L210-Q247 HydrophobicContact CD1-CB 4.12Å; L210-Q247 HydrophobicContact CD2-CB 3.63Å; L210-Q247 HydrophobicContact CD2-CG 4.39Å; L243-Q247 HydrophobicContact CD1-CG 4.37Å; L243-Q247 WeakPolarHBondContact O-CG 3.46Å; L243-Q247 PolarHBondContact O-N 3.47Å; K244-Q247 PolarHBondContact O-N 3.22Å; Q247-T249 PolarHBondContact O-N 3.02Å; Q247-V251 WeakPolarHBondContact O-CB 3.23Å; Q247-V251 WeakPolarHBondContact O-CG2 3.39Å; Q247-V251 PolarHBondContact O-N 3Å; Q247-W381 HydrophobicContact CG-CH2 4.46Å; Q247-W381 HydrophobicContact CG-CZ3 4.47Å |
| 248 | A | 95.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 3% | 0.025 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L210 K244 V246 G252 A286 S290 | L210-A248 HydrophobicContact CD1-CB 3.69Å; K244-A248 VanDerWaalsContact O-CB 3.25Å; K244-A248 WeakPolarHBondContact O-CB 3.4Å; K244-A248 PolarHBondContact O-N 3.35Å; V246-A248 PolarHBondContact O-N 3.44Å; A248-G252 WeakPolarHBondContact O-CA 3.45Å; A248-G252 PolarHBondContact O-N 3.23Å; A248-A286 VanDerWaalsContact O-CB 3.28Å; A248-A286 WeakPolarHBondContact O-CB 3.17Å; A248-S290 VanDerWaalsContact CB-CB 3.43Å; A248-S290 WeakPolarHBondContact CB-OG 3.32Å |
| 249 | T | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.4 | -47.9 | -177.1 | -49.7 | 0 | 0 | 0 | 0 | 111.4 | Q245 V246 Q247 F253 V283 F287 L357 T360 | Q245-T249 WeakPolarHBondContact O-CB 3.06Å; Q245-T249 PolarHBondContact O-N 3.2Å; Q245-T249 PolarHBondContact O-OG1 3.33Å; V246-T249 PolarHBondContact O-N 3.13Å; Q247-T249 PolarHBondContact O-N 3.02Å; T249-F253 PolarHBondContact O-N 2.92Å; T249-F253 VanDerWaalsContact O-N 3.11Å; T249-V283 HydrophobicContact CG2-CG1 3.89Å; T249-F287 HydrophobicContact CG2-CD2 4.31Å; T249-F287 WeakPolarHBondContact OG1-CD2 3.5Å; T249-L357 HydrophobicContact CG2-CD2 4.27Å; T249-T360 WeakPolarHBondContact CG2-OG1 3.32Å |
| 250 | V | 96.1 | Very high | 95.4 | Very high | 45 Ų | 45 | 16 Ų | 16 | 27% | 0.273 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -67.5 | -47.4 | -179.4 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | V246 G252 F253 L254 T360 W381 | V246-V250 HydrophobicContact CG1-CG2 4.48Å; V246-V250 WeakPolarHBondContact O-CB 3.03Å; V246-V250 WeakPolarHBondContact O-CG2 3.4Å; V246-V250 PolarHBondContact O-N 3.04Å; V250-G252 VanDerWaalsContact C-N 3.34Å; V250-F253 WeakPolarHBondContact O-CB 3.49Å; V250-F253 PolarHBondContact O-N 3.43Å; V250-L254 HydrophobicContact CG1-CD1 4.31Å; V250-L254 WeakPolarHBondContact O-CG 3.29Å; V250-L254 PolarHBondContact O-N 3.37Å; V250-T360 HydrophobicContact CG2-CG2 4.01Å; V250-W381 HydrophobicContact CB-CH2 3.92Å; V250-W381 HydrophobicContact CB-CZ3 3.84Å; V250-W381 HydrophobicContact CG1-CH2 4Å; V250-W381 HydrophobicContact CG1-CZ3 3.65Å; V250-W381 HydrophobicContact CG2-CH2 4Å; V250-W381 HydrophobicContact CG2-CZ3 4.42Å |
| 251 | V | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -74.2 | -29.1 | -177.4 | -176 | 0 | 0 | 0 | 0 | 111.1 | L206 Q247 L254 A255 W381 V384 I385 M388 | L206-V251 HydrophobicContact CD1-CB 3.69Å; L206-V251 HydrophobicContact CD1-CG1 3.5Å; L206-V251 VanDerWaalsContact CD1-CG1 3.5Å; L206-V251 HydrophobicContact CD1-CG2 4.45Å; L206-V251 HydrophobicContact CD2-CB 4.05Å; L206-V251 HydrophobicContact CD2-CG1 4.05Å; L206-V251 HydrophobicContact CG-CG1 4.32Å; Q247-V251 WeakPolarHBondContact O-CB 3.23Å; Q247-V251 WeakPolarHBondContact O-CG2 3.39Å; Q247-V251 PolarHBondContact O-N 3Å; V251-L254 CarbonylContact O-C 3.54Å; V251-L254 PolarHBondContact O-N 3.3Å; V251-A255 VanDerWaalsContact O-CB 3.31Å; V251-A255 WeakPolarHBondContact O-CB 3.07Å; V251-A255 PolarHBondContact O-N 3.13Å; V251-W381 HydrophobicContact CG2-CZ3 4.25Å; V251-V384 HydrophobicContact CB-CG1 4.49Å; V251-V384 HydrophobicContact CG1-CG1 4.35Å; V251-V384 HydrophobicContact CG2-CG1 3.8Å; V251-I385 HydrophobicContact CG2-CG1 4.48Å; V251-M388 HydrophobicContact CG1-CB 3.57Å; V251-M388 HydrophobicContact CG1-CE 4.48Å; V251-M388 HydrophobicContact CG1-CG 3.64Å |
| 252 | G | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A248 V250 A255 A256 S282 | A248-G252 WeakPolarHBondContact O-CA 3.45Å; A248-G252 PolarHBondContact O-N 3.23Å; V250-G252 VanDerWaalsContact C-N 3.34Å; G252-A255 PolarHBondContact O-N 3.4Å; G252-A256 PolarHBondContact O-N 3.19Å; G252-A256 VanDerWaalsContact O-N 3.12Å; G252-S282 PolarHBondContact O-OG 3.32Å |
| 253 | F | 97.1 | Very high | 95.4 | Very high | 75 Ų | 75 | 19.7 Ų | 19.7 | 33% | 0.329 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -61 | -47.7 | 171.4 | 178.4 | -104.8 | 0 | 0 | 0 | 111.7 | T249 V250 A255 A256 V257 C279 V283 L357 | T249-F253 PolarHBondContact O-N 2.92Å; T249-F253 VanDerWaalsContact O-N 3.11Å; V250-F253 WeakPolarHBondContact O-CB 3.49Å; V250-F253 PolarHBondContact O-N 3.43Å; F253-A255 VanDerWaalsContact C-N 3.29Å; F253-A255 PolarHBondContact O-N 2.9Å; F253-A256 WeakPolarHBondContact O-CB 3.2Å; F253-A256 PolarHBondContact O-N 3.31Å; F253-V257 HydrophobicContact CD1-CG2 4.37Å; F253-V257 HydrophobicContact CE1-CG2 3.92Å; F253-V257 HydrophobicContact CE2-CG2 4.38Å; F253-V257 HydrophobicContact CZ-CG2 3.93Å; F253-V257 WeakPolarHBondContact O-CG2 3.32Å; F253-V257 PolarHBondContact O-N 3.39Å; F253-C279 HydrophobicContact CD2-CB 4.48Å; F253-C279 HydrophobicContact CE2-CB 4.34Å; F253-V283 HydrophobicContact CB-CG2 3.63Å; F253-V283 HydrophobicContact CD2-CG2 4.04Å; F253-V283 HydrophobicContact CG-CG2 4.34Å; F253-L357 HydrophobicContact CB-CD2 4.35Å; F253-L357 HydrophobicContact CD2-CD1 4.39Å |
| 254 | L | 96.8 | Very high | 95.3 | Very high | 55 Ų | 55 | 26 Ų | 26 | 29% | 0.288 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -62.8 | -34.8 | 178.1 | -65.7 | 175.8 | 0 | 0 | 0 | 112.6 | V250 V251 V257 A258 I385 M388 | V250-L254 HydrophobicContact CG1-CD1 4.31Å; V250-L254 WeakPolarHBondContact O-CG 3.29Å; V250-L254 PolarHBondContact O-N 3.37Å; V251-L254 CarbonylContact O-C 3.54Å; V251-L254 PolarHBondContact O-N 3.3Å; L254-V257 PolarHBondContact O-N 2.89Å; L254-A258 WeakPolarHBondContact O-CB 3.39Å; L254-A258 PolarHBondContact O-N 2.89Å; L254-I385 HydrophobicContact CD1-CD1 4.19Å; L254-I385 HydrophobicContact CD1-CG1 4.13Å; L254-M388 HydrophobicContact CB-CE 3.54Å |
| 255 | A | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L199 A202 V251 G252 F253 A258 A259 M388 | L199-A255 HydrophobicContact CD1-CB 3.89Å; A202-A255 HydrophobicContact CB-CB 4.12Å; V251-A255 VanDerWaalsContact O-CB 3.31Å; V251-A255 WeakPolarHBondContact O-CB 3.07Å; V251-A255 PolarHBondContact O-N 3.13Å; G252-A255 PolarHBondContact O-N 3.4Å; F253-A255 VanDerWaalsContact C-N 3.29Å; F253-A255 PolarHBondContact O-N 2.9Å; A255-A258 PolarHBondContact O-N 2.96Å; A255-A259 WeakPolarHBondContact O-CB 3.47Å; A255-A259 PolarHBondContact O-N 2.73Å; A255-M388 VanDerWaalsContact CA-SD 3.55Å; A255-M388 HydrophobicContact CB-CG 3.84Å; A255-M388 HydrophobicContact CB-SD 3.96Å |
| 256 | A | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | G252 F253 A258 A259 I260 C279 | G252-A256 PolarHBondContact O-N 3.19Å; G252-A256 VanDerWaalsContact O-N 3.12Å; F253-A256 WeakPolarHBondContact O-CB 3.2Å; F253-A256 PolarHBondContact O-N 3.31Å; A256-A258 VanDerWaalsContact C-N 3.32Å; A256-A258 PolarHBondContact O-N 3Å; A256-A259 PolarHBondContact O-N 2.86Å; A256-I260 WeakPolarHBondContact O-CD1 3.3Å; A256-I260 WeakPolarHBondContact O-CG1 3.17Å; A256-I260 PolarHBondContact O-N 3.25Å; A256-C279 HydrophobicContact CB-CB 4.45Å |
| 257 | V | 96 | Very high | 93.7 | Very high | 47 Ų | 47 | 39.4 Ų | 39.4 | 29% | 0.285 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 175.8 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | F253 L254 I260 I261 | F253-V257 HydrophobicContact CD1-CG2 4.37Å; F253-V257 HydrophobicContact CE1-CG2 3.92Å; F253-V257 HydrophobicContact CE2-CG2 4.38Å; F253-V257 HydrophobicContact CZ-CG2 3.93Å; F253-V257 WeakPolarHBondContact O-CG2 3.32Å; F253-V257 PolarHBondContact O-N 3.39Å; L254-V257 PolarHBondContact O-N 2.89Å; V257-I260 PolarHBondContact O-N 2.68Å; V257-I261 HydrophobicContact CG1-CD1 3.81Å; V257-I261 VanDerWaalsContact O-CG1 3.29Å; V257-I261 WeakPolarHBondContact O-CG1 3.35Å; V257-I261 PolarHBondContact O-N 3.28Å |
| 258 | A | 95.4 | Very high | 93.1 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.5 | -45.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L254 A255 A256 I260 I261 L262 M388 | L254-A258 WeakPolarHBondContact O-CB 3.39Å; L254-A258 PolarHBondContact O-N 2.89Å; A255-A258 PolarHBondContact O-N 2.96Å; A256-A258 VanDerWaalsContact C-N 3.32Å; A256-A258 PolarHBondContact O-N 3Å; A258-I260 VanDerWaalsContact C-N 3.35Å; A258-I260 PolarHBondContact O-N 3.01Å; A258-I261 PolarHBondContact O-N 2.91Å; A258-L262 WeakPolarHBondContact O-CB 3.44Å; A258-L262 VanDerWaalsContact O-CG 3.25Å; A258-L262 WeakPolarHBondContact O-CG 3.4Å; A258-L262 PolarHBondContact O-N 3.37Å; A258-M388 HydrophobicContact CB-SD 4.05Å |
| 259 | A | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I198 L199 A255 A256 L262 G263 | I198-A259 HydrophobicContact CB-CB 4.09Å; I198-A259 HydrophobicContact CG2-CB 3.99Å; L199-A259 HydrophobicContact CB-CB 4.2Å; A255-A259 WeakPolarHBondContact O-CB 3.47Å; A255-A259 PolarHBondContact O-N 2.73Å; A256-A259 PolarHBondContact O-N 2.86Å; A259-L262 PolarHBondContact O-N 2.9Å; A259-G263 PolarHBondContact O-N 3.38Å |
| 260 | I | 94.7 | Very high | 92 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 11% | 0.113 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | 176.2 | -67 | 157.9 | 0 | 0 | 0 | 111 | A256 V257 A258 W264 Y270 L278 | A256-I260 WeakPolarHBondContact O-CD1 3.3Å; A256-I260 WeakPolarHBondContact O-CG1 3.17Å; A256-I260 PolarHBondContact O-N 3.25Å; V257-I260 PolarHBondContact O-N 2.68Å; A258-I260 VanDerWaalsContact C-N 3.35Å; A258-I260 PolarHBondContact O-N 3.01Å; I260-W264 VanDerWaalsContact O-CB 3.29Å; I260-W264 WeakPolarHBondContact O-CB 3.22Å; I260-W264 PolarHBondContact O-N 2.9Å; I260-Y270 HydrophobicContact CG2-CD2 4.45Å; I260-Y270 HydrophobicContact CG2-CE2 3.95Å; I260-L278 HydrophobicContact CD1-CB 4.41Å; I260-L278 HydrophobicContact CG1-CB 4.37Å; I260-L278 HydrophobicContact CG1-CD1 3.75Å |
| 261 | I | 94.5 | Very high | 91.6 | Very high | 91 Ų | 91 | 56.6 Ų | 56.6 | 47% | 0.467 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 179.5 | -67.4 | 167 | 0 | 0 | 0 | 110.3 | V257 A258 W264 I265 | V257-I261 HydrophobicContact CG1-CD1 3.81Å; V257-I261 VanDerWaalsContact O-CG1 3.29Å; V257-I261 WeakPolarHBondContact O-CG1 3.35Å; V257-I261 PolarHBondContact O-N 3.28Å; A258-I261 PolarHBondContact O-N 2.91Å; I261-W264 PolarHBondContact O-N 2.86Å; I261-I265 HydrophobicContact CG2-CD1 4.27Å; I261-I265 WeakPolarHBondContact O-CG1 3.41Å; I261-I265 PolarHBondContact O-N 3.41Å |
| 262 | L | 93.4 | Very high | 91.3 | Very high | 32 Ų | 32 | 61.3 Ų | 61.3 | 17% | 0.168 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68 | -36.3 | -178.2 | -69.7 | 175.7 | 0 | 0 | 0 | 112.6 | I198 A258 A259 I265 P266 S392 L396 | I198-L262 HydrophobicContact CD1-CB 4.34Å; I198-L262 HydrophobicContact CG2-CB 4.23Å; I198-L262 HydrophobicContact CG2-CD1 4.15Å; A258-L262 WeakPolarHBondContact O-CB 3.44Å; A258-L262 VanDerWaalsContact O-CG 3.25Å; A258-L262 WeakPolarHBondContact O-CG 3.4Å; A258-L262 PolarHBondContact O-N 3.37Å; A259-L262 PolarHBondContact O-N 2.9Å; L262-I265 HydrophobicContact CD2-CD1 4.37Å; L262-P266 WeakPolarHBondContact O-CD 3.3Å; L262-S392 WeakPolarHBondContact CD1-O 3.42Å; L262-L396 HydrophobicContact CB-CD1 4.46Å; L262-L396 HydrophobicContact CB-CD2 4.5Å; L262-L396 HydrophobicContact CD2-CD2 4.28Å |
| 263 | G | 91.2 | Very high | 91 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.5 | -32.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A259 P266 | A259-G263 PolarHBondContact O-N 3.38Å; G263-P266 WeakPolarHBondContact O-CD 3.19Å |
| 264 | W | 91.5 | Very high | 90.8 | Very high | 135 Ų | 135 | 63.7 Ų | 63.7 | 51% | 0.511 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.8 | -33.8 | 176.8 | 176.8 | 63.6 | 0 | 0 | 0 | 113.5 | I260 I261 G268 | I260-W264 VanDerWaalsContact O-CB 3.29Å; I260-W264 WeakPolarHBondContact O-CB 3.22Å; I260-W264 PolarHBondContact O-N 2.9Å; I261-W264 PolarHBondContact O-N 2.86Å; W264-G268 VanDerWaalsContact O-CA 3.27Å; W264-G268 WeakPolarHBondContact O-CA 3.4Å; W264-G268 PolarHBondContact O-N 2.84Å |
| 265 | I | 89.6 | Confident | 90.6 | Very high | 115 Ų | 115 | 61.6 Ų | 61.6 | 59% | 0.59 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -57.8 | -51.7 | -177.4 | -71.2 | 163.7 | 0 | 0 | 0 | 113.4 | I261 L262 | I261-I265 HydrophobicContact CG2-CD1 4.27Å; I261-I265 WeakPolarHBondContact O-CG1 3.41Å; I261-I265 PolarHBondContact O-N 3.41Å; L262-I265 HydrophobicContact CD2-CD1 4.37Å |
| 266 | P | 83.9 | Confident | 90.5 | Very high | 84 Ų | 84 | 64.2 Ų | 64.2 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -77.6 | -37.8 | -178.9 | 26.7 | -32.1 | 0 | 0 | 0 | 113.7 | L262 G263 L396 | L262-P266 WeakPolarHBondContact O-CD 3.3Å; G263-P266 WeakPolarHBondContact O-CD 3.19Å; P266-L396 HydrophobicContact CG-CD1 4.39Å |
| 267 | E | 78.8 | Confident | 90.5 | Very high | 93 Ų | 93 | 64.3 Ų | 64.3 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -90.1 | -25.6 | -174.6 | -67.2 | -162.9 | -163 | 0 | 0 | 114.4 | K269 | E267-K269 PolarHBondContact O-N 3.2Å; E267-K269 VanDerWaalsContact O-N 3.09Å |
| 268 | G | 83.2 | Confident | 90.5 | Very high | 50 Ų | 50 | 62.1 Ų | 62.1 | 52% | 0.515 | 31% | 0.312 | S | S | . | . | trans | 66.6 | 2.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | W264 | W264-G268 VanDerWaalsContact O-CA 3.27Å; W264-G268 WeakPolarHBondContact O-CA 3.4Å; W264-G268 PolarHBondContact O-N 2.84Å | ||
| 269 | K | 81.6 | Confident | 90.5 | Very high | 117 Ų | 117 | 62.5 Ų | 62.5 | 51% | 0.509 | 31% | 0.314 | S | S | . | . | trans | -97.5 | 129.4 | 179.9 | -66.9 | 169.9 | -179.2 | 172.1 | 0 | 109.7 | E267 Y271 | E267-K269 PolarHBondContact O-N 3.2Å; E267-K269 VanDerWaalsContact O-N 3.09Å; K269-Y271 HydrophobicContact CB-CD2 4.35Å; K269-Y271 HydrophobicContact CB-CE2 3.64Å; K269-Y271 HydrophobicContact CD-CE2 4.18Å; K269-Y271 HydrophobicContact CG-CE2 4.45Å | ||
| 270 | Y | 86 | Confident | 90.6 | Very high | 138 Ų | 138 | 62.7 Ų | 62.7 | 54% | 0.541 | 32% | 0.315 | S | S | . | . | trans | -118.1 | 116.5 | 177.8 | 179.5 | -98.9 | 0 | 0 | 0 | 109.6 | I260 L272 S275 | I260-Y270 HydrophobicContact CG2-CD2 4.45Å; I260-Y270 HydrophobicContact CG2-CE2 3.95Å; Y270-L272 HydrophobicContact CE1-CB 4.29Å; Y270-S275 VanDerWaalsContact CE2-OG 3.3Å; Y270-S275 WeakPolarHBondContact CE2-OG 3.25Å; Y270-S275 PolarHBondContact OH-OG 2.99Å | ||
| 271 | Y | 88.3 | Confident | 90.7 | Very high | 113 Ų | 113 | 61.7 Ų | 61.7 | 44% | 0.443 | 31% | 0.31 | S | S | . | . | trans | -112.7 | 109.3 | 177.8 | -62 | -75.2 | 0 | 0 | 0 | 109.5 | K269 D273 H274 S275 | K269-Y271 HydrophobicContact CB-CD2 4.35Å; K269-Y271 HydrophobicContact CB-CE2 3.64Å; K269-Y271 HydrophobicContact CD-CE2 4.18Å; K269-Y271 HydrophobicContact CG-CE2 4.45Å; Y271-D273 PolarHBondContact O-N 2.78Å; Y271-H274 WeakPolarHBondContact O-CB 3.21Å; Y271-H274 PolarHBondContact O-N 3.18Å; Y271-H274 VanDerWaalsContact O-N 3.11Å; Y271-S275 PolarHBondContact O-N 3.43Å; Y271-S275 PolarHBondContact O-OG 2.82Å | ||
| 272 | L | 90.4 | Very high | 90.9 | Very high | 99 Ų | 99 | 57.3 Ų | 57.3 | 52% | 0.518 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.9 | -37.2 | -178.5 | -177.3 | 150.8 | 0 | 0 | 0 | 112 | Y270 H274 S275 I276 | Y270-L272 HydrophobicContact CE1-CB 4.29Å; L272-H274 PolarHBondContact O-N 3.08Å; L272-S275 WeakPolarHBondContact O-CB 3.32Å; L272-S275 PolarHBondContact O-N 3.47Å; L272-I276 HydrophobicContact CD2-CD1 3.44Å; L272-I276 VanDerWaalsContact CD2-CD1 3.44Å; L272-I276 HydrophobicContact CD2-CG1 4.15Å; L272-I276 HydrophobicContact CG-CD1 4.4Å; L272-I276 WeakPolarHBondContact O-CG1 3.37Å; L272-I276 PolarHBondContact O-N 3.34Å |
| 273 | D | 90.4 | Very high | 91.1 | Very high | 93 Ų | 93 | 55.8 Ų | 55.8 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 179.1 | -60.3 | -28 | 0 | 0 | 0 | 111.9 | Y271 L277 L342 | Y271-D273 PolarHBondContact O-N 2.78Å; D273-L277 VanDerWaalsContact O-CB 3.3Å; D273-L277 WeakPolarHBondContact O-CB 3.14Å; D273-L277 PolarHBondContact O-N 3.46Å; D273-L342 HydrophobicContact CB-CD1 4.38Å; D273-L342 HydrophobicContact CB-CD2 4.08Å |
| 274 | H | 91.5 | Very high | 91.4 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 15% | 0.148 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 173.8 | -67.2 | -164.7 | 0 | 0 | 0 | 110.5 | K192 V193 E195 Y271 L272 I276 L277 L278 | K192-H274 PolarHBondContact O-CE1 2.95Å; K192-H274 VanDerWaalsContact O-CE1 3.23Å; V193-H274 HydrophobicContact CG1-CB 4.12Å; E195-H274 IonicContact OE2-ND1 3.67Å; Y271-H274 WeakPolarHBondContact O-CB 3.21Å; Y271-H274 PolarHBondContact O-N 3.18Å; Y271-H274 VanDerWaalsContact O-N 3.11Å; L272-H274 PolarHBondContact O-N 3.08Å; H274-I276 PolarHBondContact O-N 3.32Å; H274-L277 WeakPolarHBondContact O-CB 3.35Å; H274-L277 PolarHBondContact O-N 2.97Å; H274-L278 WeakPolarHBondContact O-CB 3.35Å; H274-L278 WeakPolarHBondContact O-CD1 3.4Å; H274-L278 VanDerWaalsContact O-CG 3.23Å; H274-L278 WeakPolarHBondContact O-CG 3.21Å; H274-L278 PolarHBondContact O-N 2.91Å |
| 275 | S | 94.1 | Very high | 91.6 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 8% | 0.077 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | Y270 Y271 L272 C279 | Y270-S275 VanDerWaalsContact CE2-OG 3.3Å; Y270-S275 WeakPolarHBondContact CE2-OG 3.25Å; Y270-S275 PolarHBondContact OH-OG 2.99Å; Y271-S275 PolarHBondContact O-N 3.43Å; Y271-S275 PolarHBondContact O-OG 2.82Å; L272-S275 WeakPolarHBondContact O-CB 3.32Å; L272-S275 PolarHBondContact O-N 3.47Å; S275-C279 WeakPolarHBondContact O-CB 3.43Å; S275-C279 PolarHBondContact O-N 3.46Å; S275-C279 PolarHBondContact O-SG 3Å |
| 276 | I | 94.6 | Very high | 92 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.6 | -43.6 | 177.3 | -68.4 | 178.9 | 0 | 0 | 0 | 110.3 | L272 H274 C279 S280 S349 P350 | L272-I276 HydrophobicContact CD2-CD1 3.44Å; L272-I276 VanDerWaalsContact CD2-CD1 3.44Å; L272-I276 HydrophobicContact CD2-CG1 4.15Å; L272-I276 HydrophobicContact CG-CD1 4.4Å; L272-I276 WeakPolarHBondContact O-CG1 3.37Å; L272-I276 PolarHBondContact O-N 3.34Å; H274-I276 PolarHBondContact O-N 3.32Å; I276-C279 PolarHBondContact O-N 3.33Å; I276-S280 VanDerWaalsContact O-CB 3.3Å; I276-S280 WeakPolarHBondContact O-CB 3.44Å; I276-S280 PolarHBondContact O-N 2.83Å; I276-S280 PolarHBondContact O-OG 3.4Å; I276-S349 PolarHBondContact O-OG 3.47Å; I276-P350 HydrophobicContact CG2-CB 4.01Å; I276-P350 HydrophobicContact CG2-CG 4.24Å |
| 277 | L | 95.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -49.3 | 176.8 | 175.7 | 68.6 | 0 | 0 | 0 | 112 | V189 V193 D273 H274 S280 S281 L338 Y339 | V189-L277 HydrophobicContact CG2-CD2 4.16Å; V193-L277 HydrophobicContact CG2-CD2 4.02Å; D273-L277 VanDerWaalsContact O-CB 3.3Å; D273-L277 WeakPolarHBondContact O-CB 3.14Å; D273-L277 PolarHBondContact O-N 3.46Å; H274-L277 WeakPolarHBondContact O-CB 3.35Å; H274-L277 PolarHBondContact O-N 2.97Å; L277-S280 PolarHBondContact O-N 3.4Å; L277-S281 VanDerWaalsContact O-CB 3.25Å; L277-S281 WeakPolarHBondContact O-CB 3.24Å; L277-S281 PolarHBondContact O-N 3.32Å; L277-S281 PolarHBondContact O-OG 2.84Å; L277-L338 HydrophobicContact CD1-CB 3.32Å; L277-L338 HydrophobicContact CD1-CD1 4.41Å; L277-Y339 HydrophobicContact CD2-CD2 3.72Å; L277-Y339 HydrophobicContact CD2-CG 4.44Å |
| 278 | L | 95.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 179.6 | -72.3 | 162.5 | 0 | 0 | 0 | 111.4 | V193 E195 V196 L199 I260 H274 S280 S281 S282 | V193-L278 HydrophobicContact CG1-CD1 4.19Å; V193-L278 HydrophobicContact CG1-CD2 4.09Å; V193-L278 HydrophobicContact CG1-CG 4.1Å; E195-L278 HydrophobicContact CB-CD1 3.54Å; E195-L278 HydrophobicContact CB-CD2 4.16Å; E195-L278 HydrophobicContact CB-CG 4.49Å; E195-L278 HydrophobicContact CG-CD1 4.16Å; V196-L278 HydrophobicContact CG2-CD2 3.73Å; L199-L278 HydrophobicContact CD2-CD2 4.36Å; I260-L278 HydrophobicContact CD1-CB 4.41Å; I260-L278 HydrophobicContact CG1-CB 4.37Å; I260-L278 HydrophobicContact CG1-CD1 3.75Å; H274-L278 WeakPolarHBondContact O-CB 3.35Å; H274-L278 WeakPolarHBondContact O-CD1 3.4Å; H274-L278 VanDerWaalsContact O-CG 3.23Å; H274-L278 WeakPolarHBondContact O-CG 3.21Å; H274-L278 PolarHBondContact O-N 2.91Å; L278-S280 VanDerWaalsContact C-N 3.34Å; L278-S280 PolarHBondContact O-N 3.35Å; L278-S281 WeakPolarHBondContact CA-OG 3.38Å; L278-S281 PolarHBondContact O-OG 2.69Å; L278-S282 WeakPolarHBondContact O-CB 3.47Å; L278-S282 PolarHBondContact O-N 2.9Å |
| 279 | C | 96.9 | Very high | 93.9 | Very high | 25 Ų | 25 | 36.6 Ų | 36.6 | 17% | 0.169 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.8 | -47.1 | 175.9 | -70.6 | 0 | 0 | 0 | 0 | 111.6 | F253 A256 S275 I276 V283 | F253-C279 HydrophobicContact CD2-CB 4.48Å; F253-C279 HydrophobicContact CE2-CB 4.34Å; A256-C279 HydrophobicContact CB-CB 4.45Å; S275-C279 WeakPolarHBondContact O-CB 3.43Å; S275-C279 PolarHBondContact O-N 3.46Å; S275-C279 PolarHBondContact O-SG 3Å; I276-C279 PolarHBondContact O-N 3.33Å; C279-V283 WeakPolarHBondContact O-CB 3.39Å; C279-V283 WeakPolarHBondContact O-CG2 3.34Å; C279-V283 PolarHBondContact O-N 3.24Å |
| 280 | S | 96.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71 | -44.5 | -174.6 | -50.9 | 0 | 0 | 0 | 0 | 111.8 | I276 L277 L278 A284 S349 | I276-S280 VanDerWaalsContact O-CB 3.3Å; I276-S280 WeakPolarHBondContact O-CB 3.44Å; I276-S280 PolarHBondContact O-N 2.83Å; I276-S280 PolarHBondContact O-OG 3.4Å; L277-S280 PolarHBondContact O-N 3.4Å; L278-S280 VanDerWaalsContact C-N 3.34Å; L278-S280 PolarHBondContact O-N 3.35Å; S280-A284 WeakPolarHBondContact O-CB 3.11Å; S280-A284 PolarHBondContact O-N 2.89Å; S280-S349 WeakPolarHBondContact CB-O 3.26Å; S280-S349 WeakPolarHBondContact CB-OG 2.79Å; S280-S349 VanDerWaalsContact OG-C 3.25Å; S280-S349 PolarHBondContact OG-O 2.91Å; S280-S349 PolarHBondContact OG-OG 3.33Å |
| 281 | S | 97.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.5 | -44.7 | 177.3 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | L277 L278 T285 S335 | L277-S281 VanDerWaalsContact O-CB 3.25Å; L277-S281 WeakPolarHBondContact O-CB 3.24Å; L277-S281 PolarHBondContact O-N 3.32Å; L277-S281 PolarHBondContact O-OG 2.84Å; L278-S281 WeakPolarHBondContact CA-OG 3.38Å; L278-S281 PolarHBondContact O-OG 2.69Å; S281-T285 WeakPolarHBondContact O-CB 3.24Å; S281-T285 PolarHBondContact O-N 3.33Å; S281-T285 PolarHBondContact O-OG1 3.15Å; S281-S335 VanDerWaalsContact CB-OG 3.29Å; S281-S335 WeakPolarHBondContact CB-OG 3.21Å; S281-S335 PolarHBondContact OG-OG 2.95Å |
| 282 | S | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | -50.9 | 177.7 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | G252 L278 A284 T285 A286 | G252-S282 PolarHBondContact O-OG 3.32Å; L278-S282 WeakPolarHBondContact O-CB 3.47Å; L278-S282 PolarHBondContact O-N 2.9Å; S282-A284 PolarHBondContact O-N 3.43Å; S282-T285 PolarHBondContact O-N 3.1Å; S282-A286 VanDerWaalsContact O-CB 3.25Å; S282-A286 WeakPolarHBondContact O-CB 3Å; S282-A286 PolarHBondContact O-N 3.09Å |
| 283 | V | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.3 | -47.3 | -179.5 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | T249 F253 C279 T285 A286 F287 F356 L357 | T249-V283 HydrophobicContact CG2-CG1 3.89Å; F253-V283 HydrophobicContact CB-CG2 3.63Å; F253-V283 HydrophobicContact CD2-CG2 4.04Å; F253-V283 HydrophobicContact CG-CG2 4.34Å; C279-V283 WeakPolarHBondContact O-CB 3.39Å; C279-V283 WeakPolarHBondContact O-CG2 3.34Å; C279-V283 PolarHBondContact O-N 3.24Å; V283-T285 VanDerWaalsContact C-N 3.34Å; V283-T285 PolarHBondContact O-N 2.99Å; V283-A286 PolarHBondContact O-N 3Å; V283-F287 WeakPolarHBondContact O-CB 3.2Å; V283-F287 PolarHBondContact O-N 3.48Å; V283-F356 HydrophobicContact CG1-CB 3.67Å; V283-L357 HydrophobicContact CG1-CD2 4.1Å; V283-L357 HydrophobicContact CG1-CG 4.05Å; V283-L357 HydrophobicContact CG2-CD2 4.19Å; V283-L357 HydrophobicContact CG2-CG 4.46Å |
| 284 | A | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S280 S282 F287 I288 I334 V352 F356 | S280-A284 WeakPolarHBondContact O-CB 3.11Å; S280-A284 PolarHBondContact O-N 2.89Å; S282-A284 PolarHBondContact O-N 3.43Å; A284-F287 PolarHBondContact O-N 3.4Å; A284-I288 WeakPolarHBondContact O-CB 3.35Å; A284-I288 WeakPolarHBondContact O-CD1 3.5Å; A284-I288 VanDerWaalsContact O-CG1 3.25Å; A284-I288 WeakPolarHBondContact O-CG1 3.45Å; A284-I288 PolarHBondContact O-N 3.01Å; A284-I334 HydrophobicContact CB-CD1 3.91Å; A284-I334 HydrophobicContact CB-CG2 4.12Å; A284-V352 HydrophobicContact CB-CG1 3.89Å; A284-F356 HydrophobicContact CB-CD2 3.52Å; A284-F356 HydrophobicContact CB-CE2 3.48Å; A284-F356 VanDerWaalsContact CB-CE2 3.48Å; A284-F356 HydrophobicContact CB-CG 4.47Å; A284-F356 HydrophobicContact CB-CZ 4.4Å |
| 285 | T | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.8 | -54.4 | 176.7 | -61.4 | 0 | 0 | 0 | 0 | 111 | L203 S281 S282 V283 F287 I288 A289 T327 I330 L331 | L203-T285 HydrophobicContact CD1-CG2 4.24Å; S281-T285 WeakPolarHBondContact O-CB 3.24Å; S281-T285 PolarHBondContact O-N 3.33Å; S281-T285 PolarHBondContact O-OG1 3.15Å; S282-T285 PolarHBondContact O-N 3.1Å; V283-T285 VanDerWaalsContact C-N 3.34Å; V283-T285 PolarHBondContact O-N 2.99Å; T285-F287 PolarHBondContact O-N 2.91Å; T285-I288 PolarHBondContact O-N 3.28Å; T285-A289 WeakPolarHBondContact O-CB 3.11Å; T285-A289 PolarHBondContact O-N 3.03Å; T285-T327 HydrophobicContact CG2-CG2 4.22Å; T285-I330 HydrophobicContact CG2-CB 4.33Å; T285-I330 HydrophobicContact CG2-CG2 4Å; T285-L331 HydrophobicContact CG2-CB 3.79Å; T285-L331 HydrophobicContact CG2-CD1 4.26Å; T285-L331 WeakPolarHBondContact OG1-CA 3.49Å |
| 286 | A | 96.7 | Very high | 94.9 | Very high | 7 Ų | 7 | 23 Ų | 23 | 6% | 0.058 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.7 | -39.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L203 A248 S282 V283 S290 | L203-A286 HydrophobicContact CD2-CB 4.19Å; A248-A286 VanDerWaalsContact O-CB 3.28Å; A248-A286 WeakPolarHBondContact O-CB 3.17Å; S282-A286 VanDerWaalsContact O-CB 3.25Å; S282-A286 WeakPolarHBondContact O-CB 3Å; S282-A286 PolarHBondContact O-N 3.09Å; V283-A286 PolarHBondContact O-N 3Å; A286-S290 WeakPolarHBondContact O-CB 3.08Å; A286-S290 PolarHBondContact O-N 2.82Å; A286-S290 PolarHBondContact O-OG 3Å |
| 287 | F | 96.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 20.4 Ų | 20.4 | 7% | 0.066 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.8 | -54.6 | 176 | -171.8 | -76.3 | 0 | 0 | 0 | 112.3 | Q245 T249 V283 A284 T285 S290 L291 F356 L359 W363 | Q245-F287 HydrophobicContact CG-CD2 4.46Å; Q245-F287 HydrophobicContact CG-CE2 4.13Å; Q245-F287 PolarHBondContact NE2-O 3.49Å; T249-F287 HydrophobicContact CG2-CD2 4.31Å; T249-F287 WeakPolarHBondContact OG1-CD2 3.5Å; V283-F287 WeakPolarHBondContact O-CB 3.2Å; V283-F287 PolarHBondContact O-N 3.48Å; A284-F287 PolarHBondContact O-N 3.4Å; T285-F287 PolarHBondContact O-N 2.91Å; F287-S290 PolarHBondContact O-OG 3.45Å; F287-L291 WeakPolarHBondContact O-CB 3.32Å; F287-L291 PolarHBondContact O-N 3.11Å; F287-L291 VanDerWaalsContact O-N 3.17Å; F287-F356 HydrophobicContact CB-CB 4.47Å; F287-F356 HydrophobicContact CB-CD1 3.82Å; F287-F356 HydrophobicContact CB-CE1 4.35Å; F287-F356 HydrophobicContact CB-CG 4.27Å; F287-F356 AromaticContact CD1-CD1 3.4Å; F287-F356 HydrophobicContact CD1-CD1 3.4Å; F287-F356 VanDerWaalsContact CD1-CD1 3.4Å; F287-F356 AromaticContact CD1-CE1 3.46Å; F287-F356 HydrophobicContact CD1-CE1 3.46Å; F287-F356 VanDerWaalsContact CD1-CE1 3.46Å; F287-F356 HydrophobicContact CD2-CB 4.41Å; F287-F356 AromaticContact CD2-CD1 3.84Å; F287-F356 HydrophobicContact CD2-CD1 3.84Å; F287-F356 AromaticContact CE1-CD1 3.89Å; F287-F356 HydrophobicContact CE1-CD1 3.89Å; F287-F356 AromaticContact CE1-CE1 3.91Å; F287-F356 HydrophobicContact CE1-CE1 3.91Å; F287-F356 HydrophobicContact CE2-CD1 4.28Å; F287-F356 HydrophobicContact CG-CB 4.47Å; F287-F356 AromaticContact CG-CD1 3.39Å; F287-F356 HydrophobicContact CG-CD1 3.39Å; F287-F356 AromaticContact CG-CE1 3.93Å; F287-F356 HydrophobicContact CG-CE1 3.93Å; F287-F356 HydrophobicContact CG-CG 4.23Å; F287-F356 HydrophobicContact CZ-CD1 4.31Å; F287-L359 HydrophobicContact CE1-CD1 4.3Å; F287-L359 HydrophobicContact CE2-CB 3.91Å; F287-L359 HydrophobicContact CE2-CD1 3.95Å; F287-L359 HydrophobicContact CZ-CB 4.27Å; F287-L359 HydrophobicContact CZ-CD1 3.61Å; F287-W363 AromaticContact CE2-NE1 3.45Å; F287-W363 HydrophobicContact CZ-CZ2 4.27Å; F287-W363 AromaticContact CZ-NE1 3.58Å |
| 288 | I | 96 | Very high | 94.2 | Very high | 54 Ų | 54 | 21.1 Ų | 21.1 | 28% | 0.277 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -69.3 | -44.8 | -174.5 | -64.1 | 164.3 | 0 | 0 | 0 | 110.6 | A284 T285 L291 L292 I330 I334 F356 | A284-I288 WeakPolarHBondContact O-CB 3.35Å; A284-I288 WeakPolarHBondContact O-CD1 3.5Å; A284-I288 VanDerWaalsContact O-CG1 3.25Å; A284-I288 WeakPolarHBondContact O-CG1 3.45Å; A284-I288 PolarHBondContact O-N 3.01Å; T285-I288 PolarHBondContact O-N 3.28Å; I288-L291 PolarHBondContact O-N 2.94Å; I288-L292 HydrophobicContact CG2-CD1 3.89Å; I288-L292 HydrophobicContact CG2-CG 4.39Å; I288-L292 WeakPolarHBondContact O-CG 3.44Å; I288-L292 PolarHBondContact O-N 3.34Å; I288-I330 HydrophobicContact CB-CG2 4.39Å; I288-I330 HydrophobicContact CG2-CD1 3.93Å; I288-I330 HydrophobicContact CG2-CG2 4.5Å; I288-I334 HydrophobicContact CD1-CD1 3.75Å; I288-F356 HydrophobicContact CD1-CE1 4.46Å; I288-F356 HydrophobicContact CD1-CE2 4.42Å; I288-F356 HydrophobicContact CD1-CZ 3.81Å; I288-F356 HydrophobicContact CG1-CE1 4.12Å; I288-F356 HydrophobicContact CG1-CZ 3.97Å |
| 289 | A | 94.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T285 L291 L292 Q293 I330 | T285-A289 WeakPolarHBondContact O-CB 3.11Å; T285-A289 PolarHBondContact O-N 3.03Å; A289-L291 VanDerWaalsContact C-N 3.32Å; A289-L291 PolarHBondContact O-N 2.91Å; A289-L292 PolarHBondContact O-N 3.02Å; A289-Q293 VanDerWaalsContact O-CB 3.23Å; A289-Q293 WeakPolarHBondContact O-CB 3.44Å; A289-Q293 WeakPolarHBondContact O-CG 3.18Å; A289-Q293 PolarHBondContact O-N 2.96Å; A289-Q293 PolarHBondContact O-OE1 3.25Å; A289-Q293 VanDerWaalsContact O-OE1 3.11Å; A289-I330 HydrophobicContact CB-CD1 4.09Å |
| 290 | S | 94.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 23 Ų | 23 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.2 | -37.5 | -179.5 | 61 | 0 | 0 | 0 | 0 | 113.2 | K244 Q245 A248 A286 F287 G294 | K244-S290 PolarHBondContact NZ-O 2.89Å; Q245-S290 PolarHBondContact NE2-OG 3.41Å; Q245-S290 PolarHBondContact OE1-OG 2.89Å; A248-S290 VanDerWaalsContact CB-CB 3.43Å; A248-S290 WeakPolarHBondContact CB-OG 3.32Å; A286-S290 WeakPolarHBondContact O-CB 3.08Å; A286-S290 PolarHBondContact O-N 2.82Å; A286-S290 PolarHBondContact O-OG 3Å; F287-S290 PolarHBondContact O-OG 3.45Å; S290-G294 WeakPolarHBondContact O-CA 3.2Å; S290-G294 PolarHBondContact O-N 3.06Å |
| 291 | L | 93.4 | Very high | 92.8 | Very high | 66 Ų | 66 | 22.9 Ų | 22.9 | 35% | 0.346 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -64.2 | -53.1 | 175.1 | -172.5 | 81.5 | 0 | 0 | 0 | 111.1 | F287 I288 A289 Q293 G294 I295 W363 | F287-L291 WeakPolarHBondContact O-CB 3.32Å; F287-L291 PolarHBondContact O-N 3.11Å; F287-L291 VanDerWaalsContact O-N 3.17Å; I288-L291 PolarHBondContact O-N 2.94Å; A289-L291 VanDerWaalsContact C-N 3.32Å; A289-L291 PolarHBondContact O-N 2.91Å; L291-Q293 PolarHBondContact O-N 3.33Å; L291-G294 PolarHBondContact O-N 3.46Å; L291-I295 HydrophobicContact CG-CD1 4.44Å; L291-I295 WeakPolarHBondContact O-CG1 3.28Å; L291-I295 PolarHBondContact O-N 3.39Å; L291-W363 HydrophobicContact CD1-CH2 4.26Å; L291-W363 HydrophobicContact CD1-CZ2 4.44Å |
| 292 | L | 93 | Very high | 92.2 | Very high | 76 Ų | 76 | 24 Ų | 24 | 40% | 0.398 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -60.3 | -47.8 | -179.5 | -70.9 | 174.2 | 0 | 0 | 0 | 111.5 | I288 A289 G294 I295 I296 I326 I330 | I288-L292 HydrophobicContact CG2-CD1 3.89Å; I288-L292 HydrophobicContact CG2-CG 4.39Å; I288-L292 WeakPolarHBondContact O-CG 3.44Å; I288-L292 PolarHBondContact O-N 3.34Å; A289-L292 PolarHBondContact O-N 3.02Å; L292-G294 VanDerWaalsContact C-N 3.31Å; L292-G294 PolarHBondContact O-N 2.55Å; L292-I295 PolarHBondContact O-N 3.1Å; L292-I296 WeakPolarHBondContact O-CG1 3.25Å; L292-I296 PolarHBondContact O-N 3.13Å; L292-I296 VanDerWaalsContact O-N 3.09Å; L292-I326 HydrophobicContact CD1-CG2 4.38Å; L292-I330 HydrophobicContact CD1-CD1 3.79Å |
| 293 | Q | 91.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.6 | -35.5 | 177 | -71.9 | 158 | -11.2 | 0 | 0 | 112.4 | E211 A289 L291 I295 I296 M297 G323 T327 | E211-Q293 WeakPolarHBondContact OE1-CB 3.37Å; E211-Q293 WeakPolarHBondContact OE1-CG 3.49Å; E211-Q293 PolarHBondContact OE1-OE1 2.93Å; A289-Q293 VanDerWaalsContact O-CB 3.23Å; A289-Q293 WeakPolarHBondContact O-CB 3.44Å; A289-Q293 WeakPolarHBondContact O-CG 3.18Å; A289-Q293 PolarHBondContact O-N 2.96Å; A289-Q293 PolarHBondContact O-OE1 3.25Å; A289-Q293 VanDerWaalsContact O-OE1 3.11Å; L291-Q293 PolarHBondContact O-N 3.33Å; Q293-I295 VanDerWaalsContact C-N 3.35Å; Q293-I296 PolarHBondContact O-N 3.29Å; Q293-M297 WeakPolarHBondContact O-CB 3.42Å; Q293-M297 PolarHBondContact O-N 2.87Å; Q293-G323 VanDerWaalsContact NE2-CA 3.34Å; Q293-G323 PolarHBondContact NE2-O 3.37Å; Q293-T327 PolarHBondContact NE2-OG1 3.03Å |
| 294 | G | 90.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S290 L291 L292 M297 V298 | S290-G294 WeakPolarHBondContact O-CA 3.2Å; S290-G294 PolarHBondContact O-N 3.06Å; L291-G294 PolarHBondContact O-N 3.46Å; L292-G294 VanDerWaalsContact C-N 3.31Å; L292-G294 PolarHBondContact O-N 2.55Å; G294-M297 PolarHBondContact O-N 2.61Å; G294-V298 WeakPolarHBondContact O-CG2 3.4Å; G294-V298 PolarHBondContact O-N 2.81Å |
| 295 | I | 90.2 | Very high | 90.1 | Very high | 105 Ų | 105 | 29.1 Ų | 29.1 | 54% | 0.538 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.8 | -46.1 | 175.7 | -64.7 | 163.8 | 0 | 0 | 0 | 110.8 | L291 L292 Q293 V298 G299 | L291-I295 HydrophobicContact CG-CD1 4.44Å; L291-I295 WeakPolarHBondContact O-CG1 3.28Å; L291-I295 PolarHBondContact O-N 3.39Å; L292-I295 PolarHBondContact O-N 3.1Å; Q293-I295 VanDerWaalsContact C-N 3.35Å; I295-V298 PolarHBondContact O-N 3.29Å; I295-G299 PolarHBondContact O-N 3.18Å |
| 296 | I | 89.6 | Confident | 89.5 | Confident | 58 Ų | 58 | 37.5 Ų | 37.5 | 30% | 0.297 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.4 | -49.3 | 177.3 | -66.5 | 168.2 | 0 | 0 | 0 | 110.2 | L292 Q293 V298 G299 V300 I326 | L292-I296 WeakPolarHBondContact O-CG1 3.25Å; L292-I296 PolarHBondContact O-N 3.13Å; L292-I296 VanDerWaalsContact O-N 3.09Å; Q293-I296 PolarHBondContact O-N 3.29Å; I296-V298 PolarHBondContact O-N 3.04Å; I296-G299 WeakPolarHBondContact O-CA 3.15Å; I296-G299 PolarHBondContact O-N 3.02Å; I296-G299 VanDerWaalsContact O-N 3.09Å; I296-V300 HydrophobicContact CG2-CG2 4.4Å; I296-V300 WeakPolarHBondContact O-CG2 3.33Å; I296-V300 PolarHBondContact O-N 3.34Å; I296-I326 HydrophobicContact CD1-CD1 3.7Å |
| 297 | M | 88.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | -179.9 | -177.4 | 64.7 | 81.2 | 0 | 0 | 112 | E211 L214 A215 Q293 G294 G299 V300 I301 A315 A319 | E211-M297 HydrophobicContact CB-CE 4.11Å; L214-M297 HydrophobicContact CD2-CB 4.41Å; L214-M297 HydrophobicContact CD2-CG 4.05Å; L214-M297 HydrophobicContact CG-CG 4.42Å; A215-M297 HydrophobicContact CB-CE 3.76Å; A215-M297 HydrophobicContact CB-SD 3.99Å; Q293-M297 WeakPolarHBondContact O-CB 3.42Å; Q293-M297 PolarHBondContact O-N 2.87Å; G294-M297 PolarHBondContact O-N 2.61Å; M297-G299 VanDerWaalsContact C-N 3.29Å; M297-G299 PolarHBondContact O-N 3.31Å; M297-V300 PolarHBondContact O-N 2.99Å; M297-V300 VanDerWaalsContact O-N 3.15Å; M297-I301 HydrophobicContact CG-CD1 3.88Å; M297-I301 WeakPolarHBondContact O-CG1 3.39Å; M297-I301 PolarHBondContact O-N 3.33Å; M297-I301 HydrophobicContact SD-CD1 4.05Å; M297-I301 HydrophobicContact SD-CG1 4.35Å; M297-A315 HydrophobicContact SD-CB 3.89Å; M297-A319 HydrophobicContact CE-CB 3.14Å; M297-A319 HydrophobicContact SD-CB 4.07Å |
| 298 | V | 87.6 | Confident | 88 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | I237 L241 G294 I295 I296 V300 I301 V302 | I237-V298 HydrophobicContact CD1-CG1 4.29Å; I237-V298 HydrophobicContact CG2-CB 4.4Å; I237-V298 HydrophobicContact CG2-CG1 3.94Å; I237-V298 HydrophobicContact CG2-CG2 3.49Å; I237-V298 VanDerWaalsContact CG2-CG2 3.49Å; L241-V298 HydrophobicContact CD1-CG2 3.86Å; L241-V298 HydrophobicContact CD2-CG2 4.02Å; L241-V298 HydrophobicContact CG-CG2 4.09Å; G294-V298 WeakPolarHBondContact O-CG2 3.4Å; G294-V298 PolarHBondContact O-N 2.81Å; I295-V298 PolarHBondContact O-N 3.29Å; I296-V298 PolarHBondContact O-N 3.04Å; V298-V300 VanDerWaalsContact C-N 3.33Å; V298-V300 PolarHBondContact O-N 2.85Å; V298-I301 PolarHBondContact O-N 3.47Å; V298-V302 HydrophobicContact CG1-CG2 4.06Å; V298-V302 VanDerWaalsContact O-CB 3.3Å; V298-V302 WeakPolarHBondContact O-CB 3.3Å; V298-V302 VanDerWaalsContact O-CG2 3.27Å; V298-V302 WeakPolarHBondContact O-CG2 3.46Å; V298-V302 PolarHBondContact O-N 3.46Å |
| 299 | G | 88.4 | Confident | 87 | Confident | 46 Ų | 46 | 45.9 Ų | 45.9 | 47% | 0.474 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.7 | -45.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I295 I296 M297 G303 | I295-G299 PolarHBondContact O-N 3.18Å; I296-G299 WeakPolarHBondContact O-CA 3.15Å; I296-G299 PolarHBondContact O-N 3.02Å; I296-G299 VanDerWaalsContact O-N 3.09Å; M297-G299 VanDerWaalsContact C-N 3.29Å; M297-G299 PolarHBondContact O-N 3.31Å; G299-G303 WeakPolarHBondContact O-CA 3.15Å; G299-G303 PolarHBondContact O-N 3.02Å |
| 300 | V | 86.4 | Confident | 86 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 13% | 0.127 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 178.1 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | I296 M297 V298 G303 S304 V314 A315 I318 | I296-V300 HydrophobicContact CG2-CG2 4.4Å; I296-V300 WeakPolarHBondContact O-CG2 3.33Å; I296-V300 PolarHBondContact O-N 3.34Å; M297-V300 PolarHBondContact O-N 2.99Å; M297-V300 VanDerWaalsContact O-N 3.15Å; V298-V300 VanDerWaalsContact C-N 3.33Å; V298-V300 PolarHBondContact O-N 2.85Å; V300-G303 PolarHBondContact O-N 3.02Å; V300-S304 VanDerWaalsContact O-CB 3.3Å; V300-S304 WeakPolarHBondContact O-CB 3.38Å; V300-S304 PolarHBondContact O-N 3.49Å; V300-S304 PolarHBondContact O-OG 3.05Å; V300-V314 HydrophobicContact CG1-CG2 4.36Å; V300-A315 HydrophobicContact CG1-CB 4.29Å; V300-I318 HydrophobicContact CG1-CB 4.49Å; V300-I318 HydrophobicContact CG1-CD1 3.95Å; V300-I318 HydrophobicContact CG2-CB 4.28Å; V300-I318 HydrophobicContact CG2-CD1 4.49Å; V300-I318 HydrophobicContact CG2-CG2 3.65Å |
| 301 | I | 84.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.8 | -46.8 | -178 | -66.5 | 173.4 | 0 | 0 | 0 | 111 | L218 V222 M297 V298 G303 S304 K305 P311 A315 | L218-I301 HydrophobicContact CB-CD1 3.55Å; L218-I301 HydrophobicContact CD1-CD1 3.72Å; L218-I301 HydrophobicContact CG-CD1 4.3Å; V222-I301 HydrophobicContact CG2-CG2 3.78Å; M297-I301 HydrophobicContact CG-CD1 3.88Å; M297-I301 WeakPolarHBondContact O-CG1 3.39Å; M297-I301 PolarHBondContact O-N 3.33Å; M297-I301 HydrophobicContact SD-CD1 4.05Å; M297-I301 HydrophobicContact SD-CG1 4.35Å; V298-I301 PolarHBondContact O-N 3.47Å; I301-G303 VanDerWaalsContact C-N 3.32Å; I301-G303 PolarHBondContact O-N 3.49Å; I301-S304 PolarHBondContact O-N 2.79Å; I301-K305 PolarHBondContact O-N 2.91Å; I301-K305 VanDerWaalsContact O-N 3.09Å; I301-P311 HydrophobicContact CG1-CB 4.49Å; I301-A315 HydrophobicContact CG1-CB 3.99Å |
| 302 | V | 84.9 | Confident | 84 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 15% | 0.152 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 177.8 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | I237 V298 K306 | I237-V302 HydrophobicContact CD1-CG2 4.25Å; V298-V302 HydrophobicContact CG1-CG2 4.06Å; V298-V302 VanDerWaalsContact O-CB 3.3Å; V298-V302 WeakPolarHBondContact O-CB 3.3Å; V298-V302 VanDerWaalsContact O-CG2 3.27Å; V298-V302 WeakPolarHBondContact O-CG2 3.46Å; V298-V302 PolarHBondContact O-N 3.46Å; V302-K306 WeakPolarHBondContact O-CG 3.22Å; V302-K306 PolarHBondContact O-N 3.46Å |
| 303 | G | 86.1 | Confident | 82.8 | Confident | 30 Ų | 30 | 46.1 Ų | 46.1 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G299 V300 I301 K305 K306 T307 | G299-G303 WeakPolarHBondContact O-CA 3.15Å; G299-G303 PolarHBondContact O-N 3.02Å; V300-G303 PolarHBondContact O-N 3.02Å; I301-G303 VanDerWaalsContact C-N 3.32Å; I301-G303 PolarHBondContact O-N 3.49Å; G303-K305 PolarHBondContact O-N 2.89Å; G303-K306 WeakPolarHBondContact O-CB 3.48Å; G303-K306 PolarHBondContact O-N 2.83Å; G303-T307 PolarHBondContact O-N 2.83Å; G303-T307 PolarHBondContact O-OG1 3.18Å |
| 304 | S | 82.3 | Confident | 82.1 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 179.9 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | V300 I301 K306 T307 G308 I309 V314 | V300-S304 VanDerWaalsContact O-CB 3.3Å; V300-S304 WeakPolarHBondContact O-CB 3.38Å; V300-S304 PolarHBondContact O-N 3.49Å; V300-S304 PolarHBondContact O-OG 3.05Å; I301-S304 PolarHBondContact O-N 2.79Å; S304-K306 VanDerWaalsContact C-N 3.31Å; S304-K306 PolarHBondContact O-N 2.72Å; S304-T307 CarbonylContact O-C 3.52Å; S304-T307 PolarHBondContact O-N 3.48Å; S304-T307 VanDerWaalsContact O-N 3.16Å; S304-T307 PolarHBondContact O-OG1 3.46Å; S304-T307 VanDerWaalsContact O-OG1 3.12Å; S304-G308 PolarHBondContact O-N 3.36Å; S304-I309 CarbonylContact C-O 3.58Å; S304-I309 WeakPolarHBondContact CB-O 3.23Å; S304-I309 PolarHBondContact O-N 3.23Å; S304-V314 WeakPolarHBondContact OG-CG2 3.5Å |
| 305 | K | 80.7 | Confident | 81.5 | Confident | 70 Ų | 70 | 47 Ų | 47 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 173.3 | -176 | 169.6 | -178 | 165.6 | 0 | 111.9 | V222 M227 D228 I301 G303 T307 G308 | V222-K305 HydrophobicContact CG1-CB 4.48Å; V222-K305 HydrophobicContact CG1-CD 4.26Å; M227-K305 VanDerWaalsContact C-NZ 3.33Å; M227-K305 PolarHBondContact O-NZ 3.22Å; D228-K305 IonicContact OD1-NZ 2.72Å; D228-K305 PolarHBondContact OD1-NZ 3.37Å; I301-K305 PolarHBondContact O-N 2.91Å; I301-K305 VanDerWaalsContact O-N 3.09Å; G303-K305 PolarHBondContact O-N 2.89Å; K305-T307 VanDerWaalsContact C-N 3.33Å; K305-T307 PolarHBondContact O-N 2.87Å; K305-G308 PolarHBondContact O-N 3.44Å |
| 306 | K | 83.6 | Confident | 80.8 | Confident | 175 Ų | 175 | 43.1 Ų | 43.1 | 76% | 0.761 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -69.3 | -28.8 | 177.9 | -73.8 | -179.3 | 178.5 | -176.6 | 0 | 113.3 | V302 G303 S304 | V302-K306 WeakPolarHBondContact O-CG 3.22Å; V302-K306 PolarHBondContact O-N 3.46Å; G303-K306 WeakPolarHBondContact O-CB 3.48Å; G303-K306 PolarHBondContact O-N 2.83Å; S304-K306 VanDerWaalsContact C-N 3.31Å; S304-K306 PolarHBondContact O-N 2.72Å |
| 307 | T | 84.6 | Confident | 80.2 | Confident | 95 Ų | 95 | 40.8 Ų | 40.8 | 58% | 0.583 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -94 | -4.2 | 178.8 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | G303 S304 K305 I309 | G303-T307 PolarHBondContact O-N 2.83Å; G303-T307 PolarHBondContact O-OG1 3.18Å; S304-T307 CarbonylContact O-C 3.52Å; S304-T307 PolarHBondContact O-N 3.48Å; S304-T307 VanDerWaalsContact O-N 3.16Å; S304-T307 PolarHBondContact O-OG1 3.46Å; S304-T307 VanDerWaalsContact O-OG1 3.12Å; K305-T307 VanDerWaalsContact C-N 3.33Å; K305-T307 PolarHBondContact O-N 2.87Å; T307-I309 VanDerWaalsContact C-N 3.26Å; T307-I309 PolarHBondContact O-N 3.39Å |
| 308 | G | 77 | Confident | 79.8 | Confident | 71 Ų | 71 | 42.9 Ų | 42.9 | 73% | 0.732 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 19.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S304 K305 | S304-G308 PolarHBondContact O-N 3.36Å; K305-G308 PolarHBondContact O-N 3.44Å |
| 309 | I | 75.8 | Confident | 79.5 | Confident | 87 Ų | 87 | 42.3 Ų | 42.3 | 45% | 0.446 | 26% | 0.257 | S | S | . | . | trans | -90.8 | 135.5 | 175.7 | -61.3 | 174 | 0 | 0 | 0 | 107.5 | S304 T307 P311 V314 | S304-I309 CarbonylContact C-O 3.58Å; S304-I309 WeakPolarHBondContact CB-O 3.23Å; S304-I309 PolarHBondContact O-N 3.23Å; T307-I309 VanDerWaalsContact C-N 3.26Å; T307-I309 PolarHBondContact O-N 3.39Å; I309-P311 WeakPolarHBondContact O-CD 3.37Å; I309-V314 HydrophobicContact CG2-CG1 3.85Å; I309-V314 HydrophobicContact CG2-CG2 4.17Å | ||
| 310 | N | 72.5 | Confident | 79.1 | Confident | 62 Ų | 62 | 40.2 Ų | 40.2 | 33% | 0.332 | 24% | 0.235 | S | C | . | . | trans | -63.3 | 118.5 | 176 | -175.8 | -13.2 | 0 | 0 | 0 | 109.6 | N223 D312 N313 | N223-N310 PolarHBondContact ND2-OD1 3.38Å; N310-D312 PolarHBondContact ND2-OD2 2.78Å; N310-D312 PolarHBondContact O-N 3.03Å; N310-D312 WeakPolarHBondContact OD1-CB 3.32Å; N310-D312 PolarHBondContact OD1-N 3.16Å; N310-D312 PolarHBondContact OD1-OD2 3.05Å; N310-N313 PolarHBondContact O-N 2.76Å | ||
| 311 | P | 75.4 | Confident | 78.8 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.3 | -25.9 | 179.3 | 26.2 | -35.7 | 0 | 0 | 0 | 113.6 | S219 V222 I301 I309 N313 V314 A315 | S219-P311 WeakPolarHBondContact OG-CB 3.43Å; V222-P311 HydrophobicContact CB-CG 4.24Å; V222-P311 HydrophobicContact CG1-CG 4.12Å; I301-P311 HydrophobicContact CG1-CB 4.49Å; I309-P311 WeakPolarHBondContact O-CD 3.37Å; P311-N313 PolarHBondContact O-N 3.46Å; P311-V314 PolarHBondContact O-N 2.87Å; P311-A315 WeakPolarHBondContact O-CB 3.21Å; P311-A315 PolarHBondContact O-N 3.44Å |
| 312 | D | 70.2 | Confident | 78.7 | Confident | 41 Ų | 41 | 42.8 Ų | 42.8 | 22% | 0.219 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.3 | -33.3 | 177.6 | -68 | -34.7 | 0 | 0 | 0 | 113 | S219 N223 N310 | S219-D312 WeakPolarHBondContact CB-OD1 3.43Å; N223-D312 PolarHBondContact ND2-OD2 2.95Å; N310-D312 PolarHBondContact ND2-OD2 2.78Å; N310-D312 PolarHBondContact O-N 3.03Å; N310-D312 WeakPolarHBondContact OD1-CB 3.32Å; N310-D312 PolarHBondContact OD1-N 3.16Å; N310-D312 PolarHBondContact OD1-OD2 3.05Å |
| 313 | N | 69.2 | Low | 78.9 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 25% | 0.251 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -85.5 | -20.3 | -174.7 | -69.8 | -18.2 | 0 | 0 | 0 | 113.3 | Q162 P166 N310 P311 | Q162-N313 PolarHBondContact OE1-ND2 2.89Å; Q162-N313 VanDerWaalsContact OE1-ND2 3.14Å; P166-N313 WeakPolarHBondContact CG-O 3.5Å; N310-N313 PolarHBondContact O-N 2.76Å; P311-N313 PolarHBondContact O-N 3.46Å |
| 314 | V | 75.8 | Confident | 79.1 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 16% | 0.164 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -122.3 | -30.7 | -169.2 | -62.9 | 0 | 0 | 0 | 0 | 113.8 | V300 S304 I309 P311 P317 I318 | V300-V314 HydrophobicContact CG1-CG2 4.36Å; S304-V314 WeakPolarHBondContact OG-CG2 3.5Å; I309-V314 HydrophobicContact CG2-CG1 3.85Å; I309-V314 HydrophobicContact CG2-CG2 4.17Å; P311-V314 PolarHBondContact O-N 2.87Å; V314-P317 WeakPolarHBondContact O-CD 3.44Å; V314-I318 HydrophobicContact CB-CD1 4.03Å; V314-I318 VanDerWaalsContact O-CB 3.29Å; V314-I318 WeakPolarHBondContact O-CB 3.42Å; V314-I318 WeakPolarHBondContact O-CD1 3.31Å; V314-I318 WeakPolarHBondContact O-CG1 3.49Å; V314-I318 PolarHBondContact O-N 2.76Å; V314-I318 VanDerWaalsContact O-N 3.15Å |
| 315 | A | 78.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.6 | -53.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A215 M297 V300 I301 P311 A319 | A215-A315 HydrophobicContact CB-CB 4.3Å; M297-A315 HydrophobicContact SD-CB 3.89Å; V300-A315 HydrophobicContact CG1-CB 4.29Å; I301-A315 HydrophobicContact CG1-CB 3.99Å; P311-A315 WeakPolarHBondContact O-CB 3.21Å; P311-A315 PolarHBondContact O-N 3.44Å; A315-A319 VanDerWaalsContact O-CB 3.24Å; A315-A319 WeakPolarHBondContact O-CB 3.44Å; A315-A319 PolarHBondContact O-N 2.73Å |
| 316 | T | 76.3 | Confident | 80.1 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 14% | 0.141 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -50.3 | -178.2 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | M212 A319 A320 | M212-T316 HydrophobicContact CG-CG2 3.72Å; M212-T316 HydrophobicContact SD-CG2 4.02Å; T316-A319 PolarHBondContact O-N 3Å; T316-A320 VanDerWaalsContact O-CB 3.3Å; T316-A320 WeakPolarHBondContact O-CB 3.5Å; T316-A320 PolarHBondContact O-N 3.43Å |
| 317 | P | 77 | Confident | 80.7 | Confident | 8 Ų | 8 | 31.5 Ų | 31.5 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -76.5 | -31.6 | -174.7 | -18.3 | 35.4 | 0 | 0 | 0 | 113.4 | P166 A170 V314 A320 S321 | P166-P317 HydrophobicContact CB-CB 3.32Å; P166-P317 HydrophobicContact CB-CG 3.39Å; P166-P317 VanDerWaalsContact O-CB 3.23Å; P166-P317 WeakPolarHBondContact O-CB 3.45Å; A170-P317 HydrophobicContact CB-CB 4.15Å; V314-P317 WeakPolarHBondContact O-CD 3.44Å; P317-A320 PolarHBondContact O-N 2.87Å; P317-S321 WeakPolarHBondContact O-CB 3.48Å; P317-S321 PolarHBondContact O-N 3.03Å |
| 318 | I | 79.4 | Confident | 81.1 | Confident | 44 Ų | 44 | 27.1 Ų | 27.1 | 23% | 0.226 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -45.1 | 172.3 | -66.3 | 170.9 | 0 | 0 | 0 | 109.6 | L169 V300 V314 S321 F322 | L169-I318 HydrophobicContact CD2-CG1 3.85Å; V300-I318 HydrophobicContact CG1-CB 4.49Å; V300-I318 HydrophobicContact CG1-CD1 3.95Å; V300-I318 HydrophobicContact CG2-CB 4.28Å; V300-I318 HydrophobicContact CG2-CD1 4.49Å; V300-I318 HydrophobicContact CG2-CG2 3.65Å; V314-I318 HydrophobicContact CB-CD1 4.03Å; V314-I318 VanDerWaalsContact O-CB 3.29Å; V314-I318 WeakPolarHBondContact O-CB 3.42Å; V314-I318 WeakPolarHBondContact O-CD1 3.31Å; V314-I318 WeakPolarHBondContact O-CG1 3.49Å; V314-I318 PolarHBondContact O-N 2.76Å; V314-I318 VanDerWaalsContact O-N 3.15Å; I318-S321 PolarHBondContact O-N 3.17Å; I318-S321 PolarHBondContact O-OG 3.23Å; I318-F322 HydrophobicContact CG2-CD2 4.29Å; I318-F322 HydrophobicContact CG2-CE2 4.29Å; I318-F322 WeakPolarHBondContact O-CD2 3.42Å; I318-F322 PolarHBondContact O-N 3.35Å |
| 319 | A | 80.9 | Confident | 82 | Confident | 4 Ų | 4 | 24.1 Ų | 24.1 | 3% | 0.033 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.8 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M297 A315 T316 S321 F322 G323 | M297-A319 HydrophobicContact CE-CB 3.14Å; M297-A319 HydrophobicContact SD-CB 4.07Å; A315-A319 VanDerWaalsContact O-CB 3.24Å; A315-A319 WeakPolarHBondContact O-CB 3.44Å; A315-A319 PolarHBondContact O-N 2.73Å; T316-A319 PolarHBondContact O-N 3Å; A319-S321 VanDerWaalsContact C-N 3.29Å; A319-S321 PolarHBondContact O-N 3.06Å; A319-F322 PolarHBondContact O-N 3.46Å; A319-G323 WeakPolarHBondContact O-CA 3.47Å; A319-G323 PolarHBondContact O-N 3.05Å |
| 320 | A | 80.5 | Confident | 83 | Confident | 2 Ų | 2 | 21 Ų | 21 | 2% | 0.017 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55.5 | -45.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A170 K207 T316 P317 F322 G323 N423 | A170-A320 HydrophobicContact CB-CB 4.08Å; K207-A320 PolarHBondContact NZ-O 3.37Å; T316-A320 VanDerWaalsContact O-CB 3.3Å; T316-A320 WeakPolarHBondContact O-CB 3.5Å; T316-A320 PolarHBondContact O-N 3.43Å; P317-A320 PolarHBondContact O-N 2.87Å; A320-F322 PolarHBondContact O-N 3.15Å; A320-G323 PolarHBondContact O-N 3.39Å; A320-N423 WeakPolarHBondContact CB-ND2 3.39Å; A320-N423 WeakPolarHBondContact CB-OD1 3.49Å |
| 321 | S | 78.6 | Confident | 84.1 | Confident | 6 Ų | 6 | 18 Ų | 18 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.1 | -43.7 | -177.1 | 72.9 | 0 | 0 | 0 | 0 | 113.9 | L169 G173 P317 I318 A319 | L169-S321 WeakPolarHBondContact O-CB 3.36Å; G173-S321 WeakPolarHBondContact CA-O 3.1Å; P317-S321 WeakPolarHBondContact O-CB 3.48Å; P317-S321 PolarHBondContact O-N 3.03Å; I318-S321 PolarHBondContact O-N 3.17Å; I318-S321 PolarHBondContact O-OG 3.23Å; A319-S321 VanDerWaalsContact C-N 3.29Å; A319-S321 PolarHBondContact O-N 3.06Å |
| 322 | F | 83.8 | Confident | 85.1 | Confident | 70 Ų | 70 | 18 Ų | 18 | 31% | 0.307 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -86.9 | -29.3 | 179.4 | -71 | -72.5 | 0 | 0 | 0 | 112.1 | V46 I318 A319 A320 I326 | V46-F322 HydrophobicContact CG1-CE1 4.47Å; V46-F322 HydrophobicContact CG2-CE1 4.31Å; I318-F322 HydrophobicContact CG2-CD2 4.29Å; I318-F322 HydrophobicContact CG2-CE2 4.29Å; I318-F322 WeakPolarHBondContact O-CD2 3.42Å; I318-F322 PolarHBondContact O-N 3.35Å; A319-F322 PolarHBondContact O-N 3.46Å; A320-F322 PolarHBondContact O-N 3.15Å; F322-I326 HydrophobicContact CB-CD1 3.89Å; F322-I326 VanDerWaalsContact O-CB 3.3Å; F322-I326 WeakPolarHBondContact O-CB 3.34Å; F322-I326 WeakPolarHBondContact O-CG1 3.2Å; F322-I326 PolarHBondContact O-N 3.34Å |
| 323 | G | 89 | Confident | 86.3 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.2 | -47.3 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q293 A319 A320 L325 I326 T327 | Q293-G323 VanDerWaalsContact NE2-CA 3.34Å; Q293-G323 PolarHBondContact NE2-O 3.37Å; A319-G323 WeakPolarHBondContact O-CA 3.47Å; A319-G323 PolarHBondContact O-N 3.05Å; A320-G323 PolarHBondContact O-N 3.39Å; G323-L325 VanDerWaalsContact C-N 3.34Å; G323-L325 PolarHBondContact O-N 2.97Å; G323-I326 PolarHBondContact O-N 3.44Å; G323-T327 WeakPolarHBondContact O-CB 3.48Å; G323-T327 PolarHBondContact O-N 3.3Å; G323-T327 PolarHBondContact O-OG1 3.42Å |
| 324 | D | 90.1 | Very high | 87.6 | Confident | 12 Ų | 12 | 20.2 Ų | 20.2 | 6% | 0.064 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.4 | -43.4 | -178.1 | -69.3 | 7.9 | 0 | 0 | 0 | 110.9 | A177 L204 K207 T327 L328 | A177-D324 HydrophobicContact CB-CB 3.78Å; L204-D324 HydrophobicContact CD2-CB 3.83Å; K207-D324 VanDerWaalsContact CD-OD1 3.29Å; K207-D324 WeakPolarHBondContact CD-OD1 3.31Å; K207-D324 IonicContact NZ-OD1 3.22Å; K207-D324 PolarHBondContact NZ-OD1 2.89Å; D324-T327 PolarHBondContact O-N 2.98Å; D324-L328 WeakPolarHBondContact O-CB 3.43Å; D324-L328 WeakPolarHBondContact O-CG 3.37Å; D324-L328 PolarHBondContact O-N 3.41Å |
| 325 | L | 92.1 | Very high | 88.6 | Confident | 16 Ų | 16 | 18.9 Ų | 18.9 | 8% | 0.084 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.8 | -49.2 | 176.4 | -179.2 | 60 | 0 | 0 | 0 | 111.8 | L42 A177 V180 G323 A329 | L42-L325 HydrophobicContact CD2-CD1 3.6Å; L42-L325 HydrophobicContact CD2-CD2 3.85Å; L42-L325 HydrophobicContact CD2-CG 3.86Å; A177-L325 HydrophobicContact CB-CB 4.47Å; V180-L325 HydrophobicContact CB-CD1 4.38Å; V180-L325 HydrophobicContact CG2-CD1 3.53Å; G323-L325 VanDerWaalsContact C-N 3.34Å; G323-L325 PolarHBondContact O-N 2.97Å; L325-A329 WeakPolarHBondContact O-CB 3.35Å; L325-A329 PolarHBondContact O-N 2.9Å |
| 326 | I | 93 | Very high | 89.4 | Confident | 38 Ų | 38 | 20.7 Ų | 20.7 | 20% | 0.195 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63 | -47.7 | 179.1 | -72.3 | 170.5 | 0 | 0 | 0 | 110.5 | L292 I296 F322 G323 A329 I330 | L292-I326 HydrophobicContact CD1-CG2 4.38Å; I296-I326 HydrophobicContact CD1-CD1 3.7Å; F322-I326 HydrophobicContact CB-CD1 3.89Å; F322-I326 VanDerWaalsContact O-CB 3.3Å; F322-I326 WeakPolarHBondContact O-CB 3.34Å; F322-I326 WeakPolarHBondContact O-CG1 3.2Å; F322-I326 PolarHBondContact O-N 3.34Å; G323-I326 PolarHBondContact O-N 3.44Å; I326-A329 PolarHBondContact O-N 2.95Å; I326-I330 HydrophobicContact CG2-CD1 3.51Å; I326-I330 HydrophobicContact CG2-CG1 4.4Å; I326-I330 WeakPolarHBondContact O-CB 3.46Å; I326-I330 WeakPolarHBondContact O-CD1 3.36Å; I326-I330 WeakPolarHBondContact O-CG1 3.42Å; I326-I330 PolarHBondContact O-N 3.27Å |
| 327 | T | 94.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 3% | 0.025 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | -178.9 | -61.3 | 0 | 0 | 0 | 0 | 111 | L203 L204 T285 Q293 G323 D324 I330 L331 | L203-T327 HydrophobicContact CB-CG2 4.23Å; L204-T327 HydrophobicContact CD2-CG2 4.21Å; T285-T327 HydrophobicContact CG2-CG2 4.22Å; Q293-T327 PolarHBondContact NE2-OG1 3.03Å; G323-T327 WeakPolarHBondContact O-CB 3.48Å; G323-T327 PolarHBondContact O-N 3.3Å; G323-T327 PolarHBondContact O-OG1 3.42Å; D324-T327 PolarHBondContact O-N 2.98Å; T327-I330 PolarHBondContact O-N 2.94Å; T327-L331 WeakPolarHBondContact O-CB 3.45Å; T327-L331 PolarHBondContact O-N 3.24Å |
| 328 | L | 94.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 179.8 | -68.9 | -175.4 | 0 | 0 | 0 | 112.9 | A177 V180 L181 V200 L204 D324 I330 L331 A332 P415 | A177-L328 HydrophobicContact CB-CD1 3.85Å; A177-L328 WeakPolarHBondContact O-CD1 3.5Å; V180-L328 HydrophobicContact CG1-CB 4.47Å; L181-L328 HydrophobicContact CB-CD1 4.22Å; L181-L328 HydrophobicContact CD1-CD1 4.47Å; L181-L328 HydrophobicContact CD1-CD2 4.47Å; V200-L328 HydrophobicContact CB-CD2 4.4Å; V200-L328 HydrophobicContact CG1-CD2 3.71Å; V200-L328 HydrophobicContact CG2-CD2 4.05Å; L204-L328 HydrophobicContact CD1-CD1 4.13Å; L204-L328 HydrophobicContact CD1-CD2 3.97Å; L204-L328 HydrophobicContact CD1-CG 4.17Å; L204-L328 HydrophobicContact CD2-CD2 3.99Å; L204-L328 HydrophobicContact CD2-CG 3.91Å; L204-L328 HydrophobicContact CG-CD2 3.96Å; L204-L328 HydrophobicContact CG-CG 4.32Å; D324-L328 WeakPolarHBondContact O-CB 3.43Å; D324-L328 WeakPolarHBondContact O-CG 3.37Å; D324-L328 PolarHBondContact O-N 3.41Å; L328-I330 VanDerWaalsContact C-N 3.34Å; L328-I330 PolarHBondContact O-N 3.43Å; L328-L331 PolarHBondContact O-N 3.08Å; L328-A332 WeakPolarHBondContact O-CB 3.46Å; L328-A332 PolarHBondContact O-N 2.96Å; L328-P415 HydrophobicContact CD1-CG 4.4Å |
| 329 | A | 95 | Very high | 91.9 | Very high | 7 Ų | 7 | 20.8 Ų | 20.8 | 6% | 0.058 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F38 L325 I326 A332 W333 | F38-A329 HydrophobicContact CE1-CB 4.03Å; F38-A329 HydrophobicContact CZ-CB 3.92Å; L325-A329 WeakPolarHBondContact O-CB 3.35Å; L325-A329 PolarHBondContact O-N 2.9Å; I326-A329 PolarHBondContact O-N 2.95Å; A329-A332 PolarHBondContact O-N 3.05Å; A329-W333 PolarHBondContact O-N 3.22Å; A329-W333 VanDerWaalsContact O-N 3.08Å |
| 330 | I | 96.4 | Very high | 92.4 | Very high | 21 Ų | 21 | 24 Ų | 24 | 11% | 0.108 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.6 | -45.5 | 176.2 | -67.9 | 168.7 | 0 | 0 | 0 | 110.4 | T285 I288 A289 L292 I326 T327 L328 A332 W333 I334 | T285-I330 HydrophobicContact CG2-CB 4.33Å; T285-I330 HydrophobicContact CG2-CG2 4Å; I288-I330 HydrophobicContact CB-CG2 4.39Å; I288-I330 HydrophobicContact CG2-CD1 3.93Å; I288-I330 HydrophobicContact CG2-CG2 4.5Å; A289-I330 HydrophobicContact CB-CD1 4.09Å; L292-I330 HydrophobicContact CD1-CD1 3.79Å; I326-I330 HydrophobicContact CG2-CD1 3.51Å; I326-I330 HydrophobicContact CG2-CG1 4.4Å; I326-I330 WeakPolarHBondContact O-CB 3.46Å; I326-I330 WeakPolarHBondContact O-CD1 3.36Å; I326-I330 WeakPolarHBondContact O-CG1 3.42Å; I326-I330 PolarHBondContact O-N 3.27Å; T327-I330 PolarHBondContact O-N 2.94Å; L328-I330 VanDerWaalsContact C-N 3.34Å; L328-I330 PolarHBondContact O-N 3.43Å; I330-A332 PolarHBondContact O-N 2.93Å; I330-W333 PolarHBondContact O-N 2.94Å; I330-I334 HydrophobicContact CG2-CD1 3.43Å; I330-I334 VanDerWaalsContact CG2-CD1 3.43Å; I330-I334 HydrophobicContact CG2-CG1 4.1Å; I330-I334 WeakPolarHBondContact O-CB 3.43Å; I330-I334 VanDerWaalsContact O-CG1 3.3Å; I330-I334 WeakPolarHBondContact O-CG1 3.49Å; I330-I334 PolarHBondContact O-N 2.94Å |
| 331 | L | 96.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.4 | -52.2 | 177 | -177.1 | 60.9 | 0 | 0 | 0 | 111 | V196 L199 V200 L203 T285 T327 L328 W333 I334 S335 | V196-L331 HydrophobicContact CG1-CD2 4.4Å; L199-L331 HydrophobicContact CD2-CD1 4.04Å; V200-L331 HydrophobicContact CG2-CD2 3.67Å; L203-L331 HydrophobicContact CD1-CD1 3.81Å; L203-L331 HydrophobicContact CD1-CD2 4.04Å; L203-L331 HydrophobicContact CD1-CG 4.45Å; T285-L331 HydrophobicContact CG2-CB 3.79Å; T285-L331 HydrophobicContact CG2-CD1 4.26Å; T285-L331 WeakPolarHBondContact OG1-CA 3.49Å; T327-L331 WeakPolarHBondContact O-CB 3.45Å; T327-L331 PolarHBondContact O-N 3.24Å; L328-L331 PolarHBondContact O-N 3.08Å; L331-W333 PolarHBondContact O-N 3.19Å; L331-I334 PolarHBondContact O-N 2.87Å; L331-S335 WeakPolarHBondContact O-CB 3.48Å; L331-S335 PolarHBondContact O-N 3.01Å; L331-S335 PolarHBondContact O-OG 3.3Å |
| 332 | A | 96.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V184 W187 F190 L328 A329 I330 Q336 | V184-A332 HydrophobicContact CB-CB 3.96Å; V184-A332 HydrophobicContact CG1-CB 3.55Å; V184-A332 HydrophobicContact CG2-CB 4.13Å; W187-A332 HydrophobicContact CE3-CB 4.46Å; W187-A332 HydrophobicContact CZ3-CB 4.01Å; F190-A332 HydrophobicContact CE2-CB 4.02Å; F190-A332 HydrophobicContact CZ-CB 4.28Å; L328-A332 WeakPolarHBondContact O-CB 3.46Å; L328-A332 PolarHBondContact O-N 2.96Å; A329-A332 PolarHBondContact O-N 3.05Å; I330-A332 PolarHBondContact O-N 2.93Å; A332-Q336 WeakPolarHBondContact O-CB 3.28Å; A332-Q336 PolarHBondContact O-N 3.34Å |
| 333 | W | 96 | Very high | 93.2 | Very high | 102 Ų | 102 | 31.8 Ų | 31.8 | 39% | 0.386 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68.5 | -43.3 | 179.1 | -82.4 | -27.7 | 0 | 0 | 0 | 113.5 | F38 W187 A329 I330 L331 G337 | F38-W333 AromaticContact CD1-CE2 3.9Å; F38-W333 AromaticContact CD1-CH2 3.63Å; F38-W333 HydrophobicContact CD1-CH2 3.63Å; F38-W333 AromaticContact CD1-CZ2 3.2Å; F38-W333 HydrophobicContact CD1-CZ2 3.2Å; F38-W333 AromaticContact CE1-CH2 3.76Å; F38-W333 HydrophobicContact CE1-CH2 3.76Å; F38-W333 AromaticContact CE1-CZ2 3.59Å; F38-W333 HydrophobicContact CE1-CZ2 3.59Å; F38-W333 HydrophobicContact CE1-CZ3 4.33Å; F38-W333 HydrophobicContact CG-CZ2 4.17Å; W187-W333 AromaticContact CH2-CD1 3.66Å; W187-W333 AromaticContact CH2-NE1 3.85Å; W187-W333 AromaticContact CZ3-CD1 3.93Å; A329-W333 PolarHBondContact O-N 3.22Å; A329-W333 VanDerWaalsContact O-N 3.08Å; I330-W333 PolarHBondContact O-N 2.94Å; L331-W333 PolarHBondContact O-N 3.19Å; W333-G337 PolarHBondContact O-N 3.01Å |
| 334 | I | 96.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 36.3 Ų | 36.3 | 17% | 0.169 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.4 | -46.7 | 178.9 | -67 | 179.4 | 0 | 0 | 0 | 110 | A284 I288 I330 L331 Q336 G337 L338 | A284-I334 HydrophobicContact CB-CD1 3.91Å; A284-I334 HydrophobicContact CB-CG2 4.12Å; I288-I334 HydrophobicContact CD1-CD1 3.75Å; I330-I334 HydrophobicContact CG2-CD1 3.43Å; I330-I334 VanDerWaalsContact CG2-CD1 3.43Å; I330-I334 HydrophobicContact CG2-CG1 4.1Å; I330-I334 WeakPolarHBondContact O-CB 3.43Å; I330-I334 VanDerWaalsContact O-CG1 3.3Å; I330-I334 WeakPolarHBondContact O-CG1 3.49Å; I330-I334 PolarHBondContact O-N 2.94Å; L331-I334 PolarHBondContact O-N 2.87Å; I334-Q336 PolarHBondContact O-N 3.47Å; I334-G337 PolarHBondContact O-N 2.95Å; I334-L338 HydrophobicContact CG2-CD1 3.76Å; I334-L338 HydrophobicContact CG2-CG 4.13Å; I334-L338 WeakPolarHBondContact O-CB 3.37Å; I334-L338 VanDerWaalsContact O-CG 3.31Å; I334-L338 WeakPolarHBondContact O-CG 3.3Å; I334-L338 PolarHBondContact O-N 3.41Å |
| 335 | S | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 177.9 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | S281 L331 Y339 | S281-S335 VanDerWaalsContact CB-OG 3.29Å; S281-S335 WeakPolarHBondContact CB-OG 3.21Å; S281-S335 PolarHBondContact OG-OG 2.95Å; L331-S335 WeakPolarHBondContact O-CB 3.48Å; L331-S335 PolarHBondContact O-N 3.01Å; L331-S335 PolarHBondContact O-OG 3.3Å; S335-Y339 WeakPolarHBondContact O-CB 3.29Å; S335-Y339 PolarHBondContact O-N 3.07Å |
| 336 | Q | 95.3 | Very high | 92.8 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | 178 | -177.4 | 61.6 | 43.9 | 0 | 0 | 112.3 | W187 V189 A332 I334 Y339 S340 | W187-Q336 HydrophobicContact CE3-CB 3.78Å; W187-Q336 HydrophobicContact CE3-CG 3.94Å; W187-Q336 HydrophobicContact CZ3-CB 3.96Å; W187-Q336 HydrophobicContact CZ3-CG 4.27Å; V189-Q336 HydrophobicContact CG1-CB 4.1Å; A332-Q336 WeakPolarHBondContact O-CB 3.28Å; A332-Q336 PolarHBondContact O-N 3.34Å; I334-Q336 PolarHBondContact O-N 3.47Å; Q336-Y339 PolarHBondContact O-N 3.29Å; Q336-S340 PolarHBondContact NE2-OG 3.34Å; Q336-S340 WeakPolarHBondContact O-CB 3.32Å; Q336-S340 PolarHBondContact O-N 2.69Å; Q336-S340 PolarHBondContact O-OG 3.31Å |
| 337 | G | 94.5 | Very high | 92.7 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W333 I334 S340 C341 | W333-G337 PolarHBondContact O-N 3.01Å; I334-G337 PolarHBondContact O-N 2.95Å; G337-S340 PolarHBondContact O-N 3.09Å; G337-C341 PolarHBondContact O-N 3.39Å; G337-C341 PolarHBondContact O-SG 3.09Å; G337-C341 VanDerWaalsContact O-SG 3.35Å |
| 338 | L | 95.4 | Very high | 92.7 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 176.1 | -69.1 | -178.2 | 0 | 0 | 0 | 111.8 | L277 I334 C341 L342 I348 V352 | L277-L338 HydrophobicContact CD1-CB 3.32Å; L277-L338 HydrophobicContact CD1-CD1 4.41Å; I334-L338 HydrophobicContact CG2-CD1 3.76Å; I334-L338 HydrophobicContact CG2-CG 4.13Å; I334-L338 WeakPolarHBondContact O-CB 3.37Å; I334-L338 VanDerWaalsContact O-CG 3.31Å; I334-L338 WeakPolarHBondContact O-CG 3.3Å; I334-L338 PolarHBondContact O-N 3.41Å; L338-C341 PolarHBondContact O-N 3.05Å; L338-L342 PolarHBondContact O-N 3.4Å; L338-L342 VanDerWaalsContact O-N 3.09Å; L338-I348 HydrophobicContact CD2-CG2 4.06Å; L338-V352 HydrophobicContact CD2-CB 4.39Å; L338-V352 HydrophobicContact CD2-CG2 4.1Å |
| 339 | Y | 94.4 | Very high | 92.6 | Very high | 27 Ų | 27 | 54.1 Ų | 54.1 | 11% | 0.106 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 175.5 | -175.2 | -96.1 | 0 | 0 | 0 | 111.7 | E188 V189 K192 V193 L277 S335 Q336 C341 L342 | E188-Y339 HydrophobicContact CG-CE1 3.79Å; V189-Y339 HydrophobicContact CB-CD1 4.37Å; V189-Y339 HydrophobicContact CB-CD2 4.47Å; V189-Y339 HydrophobicContact CB-CG 4.01Å; V189-Y339 HydrophobicContact CG2-CD2 4.08Å; V189-Y339 HydrophobicContact CG2-CG 3.95Å; K192-Y339 HydrophobicContact CD-CE1 4.4Å; K192-Y339 WeakPolarHBondContact CD-OH 3.29Å; K192-Y339 PolarHBondContact NZ-OH 3.2Å; V193-Y339 HydrophobicContact CG2-CD2 4.14Å; V193-Y339 HydrophobicContact CG2-CE2 4.06Å; L277-Y339 HydrophobicContact CD2-CD2 3.72Å; L277-Y339 HydrophobicContact CD2-CG 4.44Å; S335-Y339 WeakPolarHBondContact O-CB 3.29Å; S335-Y339 PolarHBondContact O-N 3.07Å; Q336-Y339 PolarHBondContact O-N 3.29Å; Y339-C341 PolarHBondContact O-N 2.85Å; Y339-L342 HydrophobicContact CD2-CD2 4.39Å; Y339-L342 WeakPolarHBondContact O-CB 3.41Å; Y339-L342 PolarHBondContact O-N 3.46Å |
| 340 | S | 92.6 | Very high | 92.6 | Very high | 71 Ų | 71 | 56 Ų | 56 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.3 | -29.4 | 178.5 | -53.1 | 0 | 0 | 0 | 0 | 112.5 | Q336 G337 | Q336-S340 PolarHBondContact NE2-OG 3.34Å; Q336-S340 WeakPolarHBondContact O-CB 3.32Å; Q336-S340 PolarHBondContact O-N 2.69Å; Q336-S340 PolarHBondContact O-OG 3.31Å; G337-S340 PolarHBondContact O-N 3.09Å |
| 341 | C | 90.8 | Very high | 92.6 | Very high | 40 Ų | 40 | 60.2 Ų | 60.2 | 27% | 0.27 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -82.2 | -15 | 175.8 | -70.7 | 0 | 0 | 0 | 0 | 113.3 | G337 L338 Y339 E343 T344 Y345 I348 | G337-C341 PolarHBondContact O-N 3.39Å; G337-C341 PolarHBondContact O-SG 3.09Å; G337-C341 VanDerWaalsContact O-SG 3.35Å; L338-C341 PolarHBondContact O-N 3.05Å; Y339-C341 PolarHBondContact O-N 2.85Å; C341-E343 PolarHBondContact O-N 3.03Å; C341-T344 PolarHBondContact O-N 3.08Å; C341-Y345 CarbonylContact O-C 3.38Å; C341-Y345 VanDerWaalsContact O-C 3.29Å; C341-Y345 WeakPolarHBondContact O-CA 3.46Å; C341-Y345 PolarHBondContact O-N 2.71Å; C341-I348 HydrophobicContact CB-CD1 4.3Å |
| 342 | L | 86.8 | Confident | 92.5 | Very high | 28 Ų | 28 | 62 Ų | 62 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | -169.7 | -167.2 | 64.2 | 0 | 0 | 0 | 112.4 | D273 L338 Y339 | D273-L342 HydrophobicContact CB-CD1 4.38Å; D273-L342 HydrophobicContact CB-CD2 4.08Å; L338-L342 PolarHBondContact O-N 3.4Å; L338-L342 VanDerWaalsContact O-N 3.09Å; Y339-L342 HydrophobicContact CD2-CD2 4.39Å; Y339-L342 WeakPolarHBondContact O-CB 3.41Å; Y339-L342 PolarHBondContact O-N 3.46Å |
| 343 | E | 82.3 | Confident | 92.5 | Very high | 174 Ų | 174 | 62.3 Ų | 62.3 | 81% | 0.813 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -36.4 | 179.9 | -65.3 | -171.1 | 170.6 | 0 | 0 | 113.1 | C341 | C341-E343 PolarHBondContact O-N 3.03Š|
| 344 | T | 86.1 | Confident | 92.5 | Very high | 95 Ų | 95 | 62 Ų | 62 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -37.2 | -175.1 | -53.4 | 0 | 0 | 0 | 0 | 112.4 | C341 | C341-T344 PolarHBondContact O-N 3.08Š|
| 345 | Y | 88.6 | Confident | 92.5 | Very high | 104 Ų | 104 | 66 Ų | 66 | 41% | 0.408 | 34% | 0.339 | S | S | . | . | trans | -140.4 | 67.9 | -170 | -56.2 | -67.1 | 0 | 0 | 0 | 110.9 | C341 Y347 I348 | C341-Y345 CarbonylContact O-C 3.38Å; C341-Y345 VanDerWaalsContact O-C 3.29Å; C341-Y345 WeakPolarHBondContact O-CA 3.46Å; C341-Y345 PolarHBondContact O-N 2.71Å; Y345-Y347 AromaticContact CD1-CE1 3.96Å; Y345-Y347 HydrophobicContact CD1-CE1 3.96Å; Y345-Y347 PolarHBondContact O-N 3.49Å; Y345-I348 HydrophobicContact CD2-CD1 3.96Å; Y345-I348 HydrophobicContact CG-CD1 3.84Å; Y345-I348 WeakPolarHBondContact O-CB 3.4Å; Y345-I348 PolarHBondContact O-N 2.88Å | ||
| 346 | Y | 87.5 | Confident | 92.5 | Very high | 179 Ų | 179 | 67.3 Ų | 67.3 | 70% | 0.702 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -27.5 | -178.1 | 69.3 | -91.6 | 0 | 0 | 0 | 114.4 | I348 P350 | Y346-I348 VanDerWaalsContact C-N 3.34Å; Y346-I348 PolarHBondContact O-N 3.32Å; Y346-P350 WeakPolarHBondContact O-CD 3.38Å |
| 347 | Y | 91.4 | Very high | 92.5 | Very high | 119 Ų | 119 | 68.4 Ų | 68.4 | 47% | 0.467 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -15.3 | -179.5 | 64.2 | -94 | 0 | 0 | 0 | 114.1 | Y345 P350 L351 | Y345-Y347 AromaticContact CD1-CE1 3.96Å; Y345-Y347 HydrophobicContact CD1-CE1 3.96Å; Y345-Y347 PolarHBondContact O-N 3.49Å; Y347-P350 WeakPolarHBondContact O-CD 3.49Å; Y347-P350 WeakPolarHBondContact O-CG 3.37Å; Y347-L351 VanDerWaalsContact O-CB 3.22Å; Y347-L351 WeakPolarHBondContact O-CB 3.35Å; Y347-L351 PolarHBondContact O-N 3.02Å; Y347-L351 VanDerWaalsContact O-N 3.16Å |
| 348 | I | 93.5 | Very high | 92.6 | Very high | 44 Ų | 44 | 69.7 Ų | 69.7 | 23% | 0.226 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.3 | -46 | -176.9 | -69.3 | -179.1 | 0 | 0 | 0 | 111.2 | L338 C341 Y345 Y346 L351 V352 | L338-I348 HydrophobicContact CD2-CG2 4.06Å; C341-I348 HydrophobicContact CB-CD1 4.3Å; Y345-I348 HydrophobicContact CD2-CD1 3.96Å; Y345-I348 HydrophobicContact CG-CD1 3.84Å; Y345-I348 WeakPolarHBondContact O-CB 3.4Å; Y345-I348 PolarHBondContact O-N 2.88Å; Y346-I348 VanDerWaalsContact C-N 3.34Å; Y346-I348 PolarHBondContact O-N 3.32Å; I348-L351 WeakPolarHBondContact O-CB 3.38Å; I348-L351 PolarHBondContact O-N 3.01Å; I348-V352 HydrophobicContact CG2-CG2 4.29Å; I348-V352 WeakPolarHBondContact O-CG2 3.42Å; I348-V352 PolarHBondContact O-N 2.49Å |
| 349 | S | 92.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -56.4 | -57.9 | 179.8 | -170.1 | 0 | 0 | 0 | 0 | 112.3 | I276 S280 L351 V352 G353 | I276-S349 PolarHBondContact O-OG 3.47Å; S280-S349 WeakPolarHBondContact CB-O 3.26Å; S280-S349 WeakPolarHBondContact CB-OG 2.79Å; S280-S349 VanDerWaalsContact OG-C 3.25Å; S280-S349 PolarHBondContact OG-O 2.91Å; S280-S349 PolarHBondContact OG-OG 3.33Å; S349-L351 PolarHBondContact O-N 2.96Å; S349-V352 PolarHBondContact O-N 3.27Å; S349-V352 VanDerWaalsContact O-N 3.12Å; S349-G353 PolarHBondContact O-N 2.93Å |
| 350 | P | 94.2 | Very high | 92.7 | Very high | 47 Ų | 47 | 70.5 Ų | 70.5 | 31% | 0.305 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.8 | -32.5 | 179.8 | 25.3 | -32.6 | 0 | 0 | 0 | 112.3 | I276 Y346 Y347 G353 V354 | I276-P350 HydrophobicContact CG2-CB 4.01Å; I276-P350 HydrophobicContact CG2-CG 4.24Å; Y346-P350 WeakPolarHBondContact O-CD 3.38Å; Y347-P350 WeakPolarHBondContact O-CD 3.49Å; Y347-P350 WeakPolarHBondContact O-CG 3.37Å; P350-G353 PolarHBondContact O-N 3.35Å; P350-V354 WeakPolarHBondContact O-CB 3.34Å; P350-V354 VanDerWaalsContact O-CG2 3.24Å; P350-V354 WeakPolarHBondContact O-CG2 3.37Å; P350-V354 PolarHBondContact O-N 3.37Å |
| 351 | L | 95.7 | Very high | 92.8 | Very high | 109 Ų | 109 | 70.5 Ų | 70.5 | 57% | 0.571 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.8 | -43.3 | 175 | -178.3 | 66 | 0 | 0 | 0 | 111.9 | Y347 I348 S349 F355 | Y347-L351 VanDerWaalsContact O-CB 3.22Å; Y347-L351 WeakPolarHBondContact O-CB 3.35Å; Y347-L351 PolarHBondContact O-N 3.02Å; Y347-L351 VanDerWaalsContact O-N 3.16Å; I348-L351 WeakPolarHBondContact O-CB 3.38Å; I348-L351 PolarHBondContact O-N 3.01Å; S349-L351 PolarHBondContact O-N 2.96Å; L351-F355 VanDerWaalsContact O-CB 3.23Å; L351-F355 WeakPolarHBondContact O-CB 3.3Å; L351-F355 PolarHBondContact O-N 3.03Å |
| 352 | V | 95.7 | Very high | 93.1 | Very high | 39 Ų | 39 | 72.9 Ų | 72.9 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 176 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | A284 L338 I348 S349 F355 F356 | A284-V352 HydrophobicContact CB-CG1 3.89Å; L338-V352 HydrophobicContact CD2-CB 4.39Å; L338-V352 HydrophobicContact CD2-CG2 4.1Å; I348-V352 HydrophobicContact CG2-CG2 4.29Å; I348-V352 WeakPolarHBondContact O-CG2 3.42Å; I348-V352 PolarHBondContact O-N 2.49Å; S349-V352 PolarHBondContact O-N 3.27Å; S349-V352 VanDerWaalsContact O-N 3.12Å; V352-F355 PolarHBondContact O-N 2.91Å; V352-F356 HydrophobicContact CG1-CD2 3.93Å; V352-F356 HydrophobicContact CG1-CE2 3.88Å; V352-F356 VanDerWaalsContact O-CD2 3.3Å; V352-F356 WeakPolarHBondContact O-CD2 3.25Å; V352-F356 PolarHBondContact O-N 2.99Å |
| 353 | G | 95.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 74.4 Ų | 74.4 | 6% | 0.062 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S349 P350 F355 F356 L357 | S349-G353 PolarHBondContact O-N 2.93Å; P350-G353 PolarHBondContact O-N 3.35Å; G353-F355 VanDerWaalsContact C-N 3.35Å; G353-F355 PolarHBondContact O-N 3.08Å; G353-F356 PolarHBondContact O-N 3.32Å; G353-L357 WeakPolarHBondContact O-CB 3.42Å; G353-L357 VanDerWaalsContact O-CG 3.32Å; G353-L357 WeakPolarHBondContact O-CG 3.36Å; G353-L357 PolarHBondContact O-N 3.16Å |
| 354 | V | 96.1 | Very high | 94.1 | Very high | 95 Ų | 95 | 69.5 Ų | 69.5 | 58% | 0.576 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.9 | -40.9 | 178.2 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | P350 L357 A358 | P350-V354 WeakPolarHBondContact O-CB 3.34Å; P350-V354 VanDerWaalsContact O-CG2 3.24Å; P350-V354 WeakPolarHBondContact O-CG2 3.37Å; P350-V354 PolarHBondContact O-N 3.37Å; V354-L357 PolarHBondContact O-N 3.36Å; V354-A358 WeakPolarHBondContact O-CB 3.42Å; V354-A358 PolarHBondContact O-N 2.84Å |
| 355 | F | 96.9 | Very high | 94.6 | Very high | 118 Ų | 118 | 70.1 Ų | 70.1 | 52% | 0.518 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.3 | -52.5 | 178.2 | 171.2 | -100.2 | 0 | 0 | 0 | 111.8 | L351 V352 G353 A358 L359 | L351-F355 VanDerWaalsContact O-CB 3.23Å; L351-F355 WeakPolarHBondContact O-CB 3.3Å; L351-F355 PolarHBondContact O-N 3.03Å; V352-F355 PolarHBondContact O-N 2.91Å; G353-F355 VanDerWaalsContact C-N 3.35Å; G353-F355 PolarHBondContact O-N 3.08Å; F355-A358 PolarHBondContact O-N 3.25Å; F355-L359 HydrophobicContact CE1-CD1 4.05Å; F355-L359 HydrophobicContact CZ-CD1 4.11Å; F355-L359 PolarHBondContact O-N 3.17Å |
| 356 | F | 96.5 | Very high | 94.9 | Very high | 27 Ų | 27 | 67.3 Ų | 67.3 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.7 | -37.8 | -179.3 | -75 | -67.2 | 0 | 0 | 0 | 112.7 | V283 A284 F287 I288 V352 G353 A358 L359 | V283-F356 HydrophobicContact CG1-CB 3.67Å; A284-F356 HydrophobicContact CB-CD2 3.52Å; A284-F356 HydrophobicContact CB-CE2 3.48Å; A284-F356 VanDerWaalsContact CB-CE2 3.48Å; A284-F356 HydrophobicContact CB-CG 4.47Å; A284-F356 HydrophobicContact CB-CZ 4.4Å; F287-F356 HydrophobicContact CB-CB 4.47Å; F287-F356 HydrophobicContact CB-CD1 3.82Å; F287-F356 HydrophobicContact CB-CE1 4.35Å; F287-F356 HydrophobicContact CB-CG 4.27Å; F287-F356 AromaticContact CD1-CD1 3.4Å; F287-F356 HydrophobicContact CD1-CD1 3.4Å; F287-F356 VanDerWaalsContact CD1-CD1 3.4Å; F287-F356 AromaticContact CD1-CE1 3.46Å; F287-F356 HydrophobicContact CD1-CE1 3.46Å; F287-F356 VanDerWaalsContact CD1-CE1 3.46Å; F287-F356 HydrophobicContact CD2-CB 4.41Å; F287-F356 AromaticContact CD2-CD1 3.84Å; F287-F356 HydrophobicContact CD2-CD1 3.84Å; F287-F356 AromaticContact CE1-CD1 3.89Å; F287-F356 HydrophobicContact CE1-CD1 3.89Å; F287-F356 AromaticContact CE1-CE1 3.91Å; F287-F356 HydrophobicContact CE1-CE1 3.91Å; F287-F356 HydrophobicContact CE2-CD1 4.28Å; F287-F356 HydrophobicContact CG-CB 4.47Å; F287-F356 AromaticContact CG-CD1 3.39Å; F287-F356 HydrophobicContact CG-CD1 3.39Å; F287-F356 AromaticContact CG-CE1 3.93Å; F287-F356 HydrophobicContact CG-CE1 3.93Å; F287-F356 HydrophobicContact CG-CG 4.23Å; F287-F356 HydrophobicContact CZ-CD1 4.31Å; I288-F356 HydrophobicContact CD1-CE1 4.46Å; I288-F356 HydrophobicContact CD1-CE2 4.42Å; I288-F356 HydrophobicContact CD1-CZ 3.81Å; I288-F356 HydrophobicContact CG1-CE1 4.12Å; I288-F356 HydrophobicContact CG1-CZ 3.97Å; V352-F356 HydrophobicContact CG1-CD2 3.93Å; V352-F356 HydrophobicContact CG1-CE2 3.88Å; V352-F356 VanDerWaalsContact O-CD2 3.3Å; V352-F356 WeakPolarHBondContact O-CD2 3.25Å; V352-F356 PolarHBondContact O-N 2.99Å; G353-F356 PolarHBondContact O-N 3.32Å; F356-A358 VanDerWaalsContact C-N 3.31Å; F356-A358 PolarHBondContact O-N 3.04Å; F356-L359 HydrophobicContact CD1-CD1 4.32Å; F356-L359 PolarHBondContact O-N 2.8Å |
| 357 | L | 95.7 | Very high | 95.2 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 173.8 | -74 | 173.7 | 0 | 0 | 0 | 111.9 | T249 F253 V283 G353 V354 L359 T360 | T249-L357 HydrophobicContact CG2-CD2 4.27Å; F253-L357 HydrophobicContact CB-CD2 4.35Å; F253-L357 HydrophobicContact CD2-CD1 4.39Å; V283-L357 HydrophobicContact CG1-CD2 4.1Å; V283-L357 HydrophobicContact CG1-CG 4.05Å; V283-L357 HydrophobicContact CG2-CD2 4.19Å; V283-L357 HydrophobicContact CG2-CG 4.46Å; G353-L357 WeakPolarHBondContact O-CB 3.42Å; G353-L357 VanDerWaalsContact O-CG 3.32Å; G353-L357 WeakPolarHBondContact O-CG 3.36Å; G353-L357 PolarHBondContact O-N 3.16Å; V354-L357 PolarHBondContact O-N 3.36Å; L357-L359 PolarHBondContact O-N 2.99Å; L357-T360 WeakPolarHBondContact O-CB 3.4Å; L357-T360 PolarHBondContact O-N 3.36Å; L357-T360 PolarHBondContact O-OG1 2.93Å |
| 358 | A | 96.5 | Very high | 95.4 | Very high | 64 Ų | 64 | 55 Ų | 55 | 53% | 0.529 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.3 | -17.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V354 F355 F356 P361 | V354-A358 WeakPolarHBondContact O-CB 3.42Å; V354-A358 PolarHBondContact O-N 2.84Å; F355-A358 PolarHBondContact O-N 3.25Å; F356-A358 VanDerWaalsContact C-N 3.31Å; F356-A358 PolarHBondContact O-N 3.04Å; A358-P361 VanDerWaalsContact O-CD 3.31Å; A358-P361 WeakPolarHBondContact O-CD 3.07Å |
| 359 | L | 95.7 | Very high | 95.3 | Very high | 45 Ų | 45 | 60.8 Ų | 60.8 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -79.5 | -19.5 | 173.1 | -62.8 | 176.3 | 0 | 0 | 0 | 112.7 | F287 F355 F356 L357 P361 I362 | F287-L359 HydrophobicContact CE1-CD1 4.3Å; F287-L359 HydrophobicContact CE2-CB 3.91Å; F287-L359 HydrophobicContact CE2-CD1 3.95Å; F287-L359 HydrophobicContact CZ-CB 4.27Å; F287-L359 HydrophobicContact CZ-CD1 3.61Å; F355-L359 HydrophobicContact CE1-CD1 4.05Å; F355-L359 HydrophobicContact CZ-CD1 4.11Å; F355-L359 PolarHBondContact O-N 3.17Å; F356-L359 HydrophobicContact CD1-CD1 4.32Å; F356-L359 PolarHBondContact O-N 2.8Å; L357-L359 PolarHBondContact O-N 2.99Å; L359-P361 VanDerWaalsContact C-CD 3.47Å; L359-I362 HydrophobicContact CD2-CD1 4.07Å; L359-I362 WeakPolarHBondContact O-CB 3.2Å; L359-I362 PolarHBondContact O-N 3.32Å; L359-I362 VanDerWaalsContact O-N 3.13Å |
| 360 | T | 95.2 | Very high | 95 | Very high | 13 Ų | 13 | 62.2 Ų | 62.2 | 8% | 0.08 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -53.7 | -45.3 | -177.2 | -47.5 | 0 | 0 | 0 | 0 | 114 | V246 T249 V250 L357 I362 W363 I364 | V246-T360 HydrophobicContact CG1-CG2 4.33Å; T249-T360 WeakPolarHBondContact CG2-OG1 3.32Å; V250-T360 HydrophobicContact CG2-CG2 4.01Å; L357-T360 WeakPolarHBondContact O-CB 3.4Å; L357-T360 PolarHBondContact O-N 3.36Å; L357-T360 PolarHBondContact O-OG1 2.93Å; T360-I362 PolarHBondContact O-N 2.87Å; T360-W363 PolarHBondContact O-N 2.88Å; T360-W363 VanDerWaalsContact O-N 3.08Å; T360-I364 HydrophobicContact CG2-CD1 4.11Å; T360-I364 HydrophobicContact CG2-CG1 4.38Å; T360-I364 WeakPolarHBondContact O-CG1 3.35Å; T360-I364 PolarHBondContact O-N 3.37Å |
| 361 | P | 96.1 | Very high | 94.6 | Very high | 70 Ų | 70 | 62.7 Ų | 62.7 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.7 | -32.7 | 179.8 | -24.5 | 35.6 | 0 | 0 | 0 | 113.6 | A358 L359 W363 I364 I365 | A358-P361 VanDerWaalsContact O-CD 3.31Å; A358-P361 WeakPolarHBondContact O-CD 3.07Å; L359-P361 VanDerWaalsContact C-CD 3.47Å; P361-W363 VanDerWaalsContact C-N 3.35Å; P361-I364 PolarHBondContact O-N 3.37Å; P361-I365 WeakPolarHBondContact O-CD1 3.34Å; P361-I365 VanDerWaalsContact O-CG1 3.28Å; P361-I365 WeakPolarHBondContact O-CG1 3.38Å; P361-I365 PolarHBondContact O-N 2.96Å |
| 362 | I | 96.1 | Very high | 94 | Very high | 90 Ų | 90 | 58 Ų | 58 | 46% | 0.462 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63 | -46 | 177.4 | -58.7 | 172.5 | 0 | 0 | 0 | 109.6 | L359 T360 I365 I366 | L359-I362 HydrophobicContact CD2-CD1 4.07Å; L359-I362 WeakPolarHBondContact O-CB 3.2Å; L359-I362 PolarHBondContact O-N 3.32Å; L359-I362 VanDerWaalsContact O-N 3.13Å; T360-I362 PolarHBondContact O-N 2.87Å; I362-I365 PolarHBondContact O-N 2.85Å; I362-I366 HydrophobicContact CG2-CD1 4Å; I362-I366 WeakPolarHBondContact O-CG1 3.3Å; I362-I366 PolarHBondContact O-N 3.42Å; I362-I366 VanDerWaalsContact O-N 3.08Å |
| 363 | W | 95.4 | Very high | 93.6 | Very high | 60 Ų | 60 | 56.2 Ų | 56.2 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.8 | -35 | 179 | -58.3 | 111.2 | 0 | 0 | 0 | 112.7 | A242 Q245 V246 F287 L291 T360 P361 I366 A367 | A242-W363 HydrophobicContact CB-CE3 3.92Å; Q245-W363 HydrophobicContact CB-CB 4.35Å; Q245-W363 HydrophobicContact CB-CD2 3.92Å; Q245-W363 HydrophobicContact CB-CE3 4.22Å; Q245-W363 HydrophobicContact CB-CG 3.97Å; Q245-W363 HydrophobicContact CG-CD2 3.68Å; Q245-W363 HydrophobicContact CG-CE3 4.33Å; Q245-W363 HydrophobicContact CG-CG 3.77Å; Q245-W363 HydrophobicContact CG-CZ2 4.14Å; V246-W363 VanDerWaalsContact CG2-C 3.45Å; V246-W363 HydrophobicContact CG2-CB 3.44Å; V246-W363 VanDerWaalsContact CG2-CB 3.44Å; F287-W363 AromaticContact CE2-NE1 3.45Å; F287-W363 HydrophobicContact CZ-CZ2 4.27Å; F287-W363 AromaticContact CZ-NE1 3.58Å; L291-W363 HydrophobicContact CD1-CH2 4.26Å; L291-W363 HydrophobicContact CD1-CZ2 4.44Å; T360-W363 PolarHBondContact O-N 2.88Å; T360-W363 VanDerWaalsContact O-N 3.08Å; P361-W363 VanDerWaalsContact C-N 3.35Å; W363-I366 HydrophobicContact CE3-CD1 4.16Å; W363-I366 HydrophobicContact CZ3-CD1 4.4Å; W363-I366 PolarHBondContact O-N 3.42Å; W363-A367 VanDerWaalsContact O-CB 3.26Å; W363-A367 WeakPolarHBondContact O-CB 3.17Å; W363-A367 PolarHBondContact O-N 2.97Å |
| 364 | I | 95.7 | Very high | 93.4 | Very high | 71 Ų | 71 | 62.8 Ų | 62.8 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 172.3 | -69.6 | 173.7 | 0 | 0 | 0 | 110.2 | V246 T360 P361 I366 A367 A368 L377 | V246-I364 HydrophobicContact CB-CG1 4.46Å; V246-I364 HydrophobicContact CG1-CD1 4.47Å; V246-I364 HydrophobicContact CG1-CG1 3.84Å; V246-I364 HydrophobicContact CG2-CB 4.4Å; V246-I364 HydrophobicContact CG2-CG1 3.66Å; T360-I364 HydrophobicContact CG2-CD1 4.11Å; T360-I364 HydrophobicContact CG2-CG1 4.38Å; T360-I364 WeakPolarHBondContact O-CG1 3.35Å; T360-I364 PolarHBondContact O-N 3.37Å; P361-I364 PolarHBondContact O-N 3.37Å; I364-I366 VanDerWaalsContact C-N 3.32Å; I364-I366 PolarHBondContact O-N 3.44Å; I364-A367 PolarHBondContact O-N 2.65Å; I364-A368 VanDerWaalsContact O-CB 3.3Å; I364-A368 WeakPolarHBondContact O-CB 3.37Å; I364-A368 PolarHBondContact O-N 2.99Å; I364-L377 HydrophobicContact CG2-CD2 4.21Å |
| 365 | I | 96.6 | Very high | 93 | Very high | 109 Ų | 109 | 60 Ų | 60 | 56% | 0.559 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | 179.7 | -67 | 163.7 | 0 | 0 | 0 | 110.7 | P361 I362 K369 | P361-I365 WeakPolarHBondContact O-CD1 3.34Å; P361-I365 VanDerWaalsContact O-CG1 3.28Å; P361-I365 WeakPolarHBondContact O-CG1 3.38Å; P361-I365 PolarHBondContact O-N 2.96Å; I362-I365 PolarHBondContact O-N 2.85Å; I365-K369 WeakPolarHBondContact O-CG 3.21Å |
| 366 | I | 95 | Very high | 92.5 | Very high | 44 Ų | 44 | 54.5 Ų | 54.5 | 23% | 0.226 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68 | -45.6 | 178.6 | -64.1 | 166.6 | 0 | 0 | 0 | 110.9 | I238 A242 I362 W363 I364 A368 K369 | I238-I366 HydrophobicContact CG2-CG2 3.56Å; A242-I366 HydrophobicContact CB-CB 3.81Å; A242-I366 HydrophobicContact CB-CG2 3.55Å; I362-I366 HydrophobicContact CG2-CD1 4Å; I362-I366 WeakPolarHBondContact O-CG1 3.3Å; I362-I366 PolarHBondContact O-N 3.42Å; I362-I366 VanDerWaalsContact O-N 3.08Å; W363-I366 HydrophobicContact CE3-CD1 4.16Å; W363-I366 HydrophobicContact CZ3-CD1 4.4Å; W363-I366 PolarHBondContact O-N 3.42Å; I364-I366 VanDerWaalsContact C-N 3.32Å; I364-I366 PolarHBondContact O-N 3.44Å; I366-A368 VanDerWaalsContact C-N 3.3Å; I366-A368 PolarHBondContact O-N 2.93Å; I366-K369 WeakPolarHBondContact O-CB 3.13Å; I366-K369 PolarHBondContact O-N 3.27Å |
| 367 | A | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.2 | -33.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A242 L243 W363 I364 K369 T373 L377 | A242-A367 HydrophobicContact CB-CB 3.98Å; L243-A367 HydrophobicContact CB-CB 4.16Å; W363-A367 VanDerWaalsContact O-CB 3.26Å; W363-A367 WeakPolarHBondContact O-CB 3.17Å; W363-A367 PolarHBondContact O-N 2.97Å; I364-A367 PolarHBondContact O-N 2.65Å; A367-K369 PolarHBondContact O-N 2.93Å; A367-T373 WeakPolarHBondContact O-CB 2.96Å; A367-T373 PolarHBondContact O-OG1 3.03Å; A367-L377 HydrophobicContact CB-CD2 4.4Å |
| 368 | A | 94.2 | Very high | 92 | Very high | 41 Ų | 41 | 58.2 Ų | 58.2 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -12.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | I364 I366 L377 | I364-A368 VanDerWaalsContact O-CB 3.3Å; I364-A368 WeakPolarHBondContact O-CB 3.37Å; I364-A368 PolarHBondContact O-N 2.99Å; I366-A368 VanDerWaalsContact C-N 3.3Å; I366-A368 PolarHBondContact O-N 2.93Å; A368-L377 HydrophobicContact CB-CD2 4.26Å |
| 369 | K | 91.8 | Very high | 91.4 | Very high | 164 Ų | 164 | 57.6 Ų | 57.6 | 71% | 0.713 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -32.2 | -179.1 | -74 | 179.7 | 179.3 | -175.4 | 0 | 113.6 | I365 I366 A367 | I365-K369 WeakPolarHBondContact O-CG 3.21Å; I366-K369 WeakPolarHBondContact O-CB 3.13Å; I366-K369 PolarHBondContact O-N 3.27Å; A367-K369 PolarHBondContact O-N 2.93Å |
| 370 | H | 86.6 | Confident | 90.9 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -97.5 | 131.6 | -178.7 | -171.9 | -66.7 | 0 | 0 | 0 | 109.7 | A372 T373 R374 | H370-A372 PolarHBondContact ND1-N 2.97Å; H370-A372 PolarHBondContact O-N 3.27Å; H370-T373 WeakPolarHBondContact CB-OG1 3.23Å; H370-T373 PolarHBondContact O-N 3.44Å; H370-T373 PolarHBondContact O-OG1 2.63Å; H370-R374 WeakPolarHBondContact O-CB 3.35Å; H370-R374 PolarHBondContact O-N 2.77Å |
| 371 | P | 87 | Confident | 90.7 | Very high | 57 Ų | 57 | 57.9 Ų | 57.9 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.1 | -46.2 | -172.3 | 20.8 | -32.5 | 0 | 0 | 0 | 112.6 | T373 R374 T375 | P371-T373 PolarHBondContact O-N 3.35Å; P371-R374 WeakPolarHBondContact O-CB 3.45Å; P371-R374 PolarHBondContact O-N 3.27Å; P371-T375 PolarHBondContact O-N 3.38Å; P371-T375 VanDerWaalsContact O-N 3.1Å; P371-T375 PolarHBondContact O-OG1 3.23Å |
| 372 | A | 82.8 | Confident | 90.5 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.7 | -46.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | M129 H370 T375 V376 | M129-A372 HydrophobicContact CG-CB 4.25Å; H370-A372 PolarHBondContact ND1-N 2.97Å; H370-A372 PolarHBondContact O-N 3.27Å; A372-T375 PolarHBondContact O-N 2.86Å; A372-V376 WeakPolarHBondContact O-CG2 3.31Å; A372-V376 PolarHBondContact O-N 3.2Å |
| 373 | T | 87.6 | Confident | 90.3 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -77.2 | -27.3 | -177.9 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | G239 N240 L243 A367 H370 P371 V376 L377 | G239-T373 VanDerWaalsContact C-CG2 3.44Å; N240-T373 HydrophobicContact CB-CG2 4.3Å; L243-T373 HydrophobicContact CD2-CG2 4.28Å; A367-T373 WeakPolarHBondContact O-CB 2.96Å; A367-T373 PolarHBondContact O-OG1 3.03Å; H370-T373 WeakPolarHBondContact CB-OG1 3.23Å; H370-T373 PolarHBondContact O-N 3.44Å; H370-T373 PolarHBondContact O-OG1 2.63Å; P371-T373 PolarHBondContact O-N 3.35Å; T373-V376 PolarHBondContact O-N 2.9Å; T373-L377 VanDerWaalsContact O-CB 3.29Å; T373-L377 WeakPolarHBondContact O-CB 3.34Å; T373-L377 PolarHBondContact O-N 2.83Å |
| 374 | R | 91.5 | Very high | 90.1 | Very high | 145 Ų | 145 | 52.4 Ų | 52.4 | 55% | 0.547 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 171.3 | -178.8 | -178.4 | 173.7 | -166 | -2.3 | 111.4 | H370 P371 L377 H378 | H370-R374 WeakPolarHBondContact O-CB 3.35Å; H370-R374 PolarHBondContact O-N 2.77Å; P371-R374 WeakPolarHBondContact O-CB 3.45Å; P371-R374 PolarHBondContact O-N 3.27Å; R374-L377 WeakPolarHBondContact O-CB 3.25Å; R374-L377 PolarHBondContact O-N 3.05Å; R374-H378 PolarHBondContact O-CD2 3.34Å; R374-H378 VanDerWaalsContact O-CD2 3.22Å; R374-H378 PolarHBondContact O-N 2.92Å |
| 375 | T | 87.9 | Confident | 90.1 | Very high | 35 Ų | 35 | 51.7 Ų | 51.7 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -51.2 | 176.4 | -58 | 0 | 0 | 0 | 0 | 110.6 | E125 P371 A372 L377 H378 S379 | E125-T375 HydrophobicContact CB-CG2 4.21Å; E125-T375 HydrophobicContact CG-CG2 3.99Å; P371-T375 PolarHBondContact O-N 3.38Å; P371-T375 VanDerWaalsContact O-N 3.1Å; P371-T375 PolarHBondContact O-OG1 3.23Å; A372-T375 PolarHBondContact O-N 2.86Å; T375-L377 VanDerWaalsContact C-N 3.28Å; T375-L377 PolarHBondContact O-N 2.83Å; T375-H378 PolarHBondContact O-N 3.46Å; T375-S379 PolarHBondContact O-N 3.26Å; T375-S379 PolarHBondContact O-OG 3.12Å; T375-S379 VanDerWaalsContact O-OG 3.04Å |
| 376 | V | 86.3 | Confident | 89.9 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -36.6 | 178.9 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | E125 R217 L243 A372 T373 H378 S379 G380 | E125-V376 WeakPolarHBondContact OE1-CG2 3.42Å; R217-V376 VanDerWaalsContact CZ-CG2 3.49Å; L243-V376 HydrophobicContact CD1-CG1 4.49Å; L243-V376 HydrophobicContact CD2-CB 3.69Å; L243-V376 HydrophobicContact CD2-CG1 3.74Å; L243-V376 HydrophobicContact CD2-CG2 4.25Å; A372-V376 WeakPolarHBondContact O-CG2 3.31Å; A372-V376 PolarHBondContact O-N 3.2Å; T373-V376 PolarHBondContact O-N 2.9Å; V376-H378 PolarHBondContact O-N 3.37Å; V376-H378 VanDerWaalsContact O-N 3.16Å; V376-S379 PolarHBondContact O-N 2.64Å; V376-G380 WeakPolarHBondContact O-CA 3.25Å; V376-G380 PolarHBondContact O-N 2.99Å |
| 377 | L | 91.5 | Very high | 89.9 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -24 | 177.7 | -174.4 | 63.3 | 0 | 0 | 0 | 112.4 | L243 V246 I364 A367 A368 T373 R374 T375 W381 | L243-L377 HydrophobicContact CD1-CB 4.09Å; L243-L377 HydrophobicContact CD1-CD1 4Å; V246-L377 HydrophobicContact CG1-CD1 4.09Å; I364-L377 HydrophobicContact CG2-CD2 4.21Å; A367-L377 HydrophobicContact CB-CD2 4.4Å; A368-L377 HydrophobicContact CB-CD2 4.26Å; T373-L377 VanDerWaalsContact O-CB 3.29Å; T373-L377 WeakPolarHBondContact O-CB 3.34Å; T373-L377 PolarHBondContact O-N 2.83Å; R374-L377 WeakPolarHBondContact O-CB 3.25Å; R374-L377 PolarHBondContact O-N 3.05Å; T375-L377 VanDerWaalsContact C-N 3.28Å; T375-L377 PolarHBondContact O-N 2.83Å; L377-W381 HydrophobicContact CD1-CZ2 4.17Å; L377-W381 PolarHBondContact O-NE1 2.95Å |
| 378 | H | 88.6 | Confident | 90 | Very high | 146 Ų | 146 | 47.4 Ų | 47.4 | 68% | 0.676 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -92.5 | -41.1 | 175.3 | -74.2 | -68.8 | 0 | 0 | 0 | 113.3 | R374 T375 V376 | R374-H378 PolarHBondContact O-CD2 3.34Å; R374-H378 VanDerWaalsContact O-CD2 3.22Å; R374-H378 PolarHBondContact O-N 2.92Å; T375-H378 PolarHBondContact O-N 3.46Å; V376-H378 PolarHBondContact O-N 3.37Å; V376-H378 VanDerWaalsContact O-N 3.16Å |
| 379 | S | 85.7 | Confident | 90 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 36% | 0.357 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -99.6 | -26 | -172.1 | 58 | 0 | 0 | 0 | 0 | 114.9 | T375 V376 W381 | T375-S379 PolarHBondContact O-N 3.26Å; T375-S379 PolarHBondContact O-OG 3.12Å; T375-S379 VanDerWaalsContact O-OG 3.04Å; V376-S379 PolarHBondContact O-N 2.64Å; S379-W381 VanDerWaalsContact C-N 3.3Å; S379-W381 PolarHBondContact O-N 3.33Å |
| 380 | G | 84.2 | Confident | 90.2 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 10 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | V376 V384 | V376-G380 WeakPolarHBondContact O-CA 3.25Å; V376-G380 PolarHBondContact O-N 2.99Å; G380-V384 WeakPolarHBondContact O-CG2 3.4Å |
| 381 | W | 91.2 | Very high | 90.6 | Very high | 61 Ų | 61 | 41 Ų | 41 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -82.2 | -35 | -176.9 | -67.1 | 97.5 | 0 | 0 | 0 | 113.7 | V246 Q247 V250 V251 L377 S379 V384 I385 | V246-W381 HydrophobicContact CG1-CH2 3.81Å; V246-W381 HydrophobicContact CG1-CZ2 3.99Å; Q247-W381 HydrophobicContact CG-CH2 4.46Å; Q247-W381 HydrophobicContact CG-CZ3 4.47Å; V250-W381 HydrophobicContact CB-CH2 3.92Å; V250-W381 HydrophobicContact CB-CZ3 3.84Å; V250-W381 HydrophobicContact CG1-CH2 4Å; V250-W381 HydrophobicContact CG1-CZ3 3.65Å; V250-W381 HydrophobicContact CG2-CH2 4Å; V250-W381 HydrophobicContact CG2-CZ3 4.42Å; V251-W381 HydrophobicContact CG2-CZ3 4.25Å; L377-W381 HydrophobicContact CD1-CZ2 4.17Å; L377-W381 PolarHBondContact O-NE1 2.95Å; S379-W381 VanDerWaalsContact C-N 3.3Å; S379-W381 PolarHBondContact O-N 3.33Å; W381-V384 PolarHBondContact O-N 3.25Å; W381-I385 HydrophobicContact CB-CD1 4.05Å; W381-I385 HydrophobicContact CE3-CD1 4.21Å; W381-I385 HydrophobicContact CE3-CG1 4.48Å; W381-I385 WeakPolarHBondContact O-CB 3.31Å; W381-I385 WeakPolarHBondContact O-CG1 3.39Å; W381-I385 PolarHBondContact O-N 3.01Å |
| 382 | E | 91.6 | Very high | 91 | Very high | 97 Ų | 97 | 38.3 Ų | 38.3 | 45% | 0.453 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -52.6 | -56.3 | -178.6 | -178.5 | -157.7 | 146.3 | 0 | 0 | 112.4 | V384 T386 K532 Y541 | E382-V384 PolarHBondContact O-N 3.11Å; E382-T386 VanDerWaalsContact O-CB 3.3Å; E382-T386 WeakPolarHBondContact O-CB 3.49Å; E382-T386 PolarHBondContact O-N 3.17Å; E382-T386 VanDerWaalsContact O-N 3.11Å; E382-T386 PolarHBondContact O-OG1 2.98Å; E382-K532 IonicContact OE2-NZ 2.69Å; E382-Y541 PolarHBondContact OE1-OH 2.91Å |
| 383 | P | 91.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | -177.8 | 25.8 | -34.4 | 0 | 0 | 0 | 112.2 | A387 S536 F537 P540 Y541 | P383-A387 WeakPolarHBondContact O-CB 3.3Å; P383-A387 PolarHBondContact O-N 3.27Å; P383-S536 WeakPolarHBondContact CG-O 3.45Å; P383-F537 HydrophobicContact CB-CD1 4.3Å; P383-F537 HydrophobicContact CG-CD1 4.07Å; P383-F537 HydrophobicContact CG-CE1 4.31Å; P383-P540 HydrophobicContact CB-CB 4.09Å; P383-P540 HydrophobicContact CB-CG 4.13Å; P383-Y541 HydrophobicContact CB-CE2 4.09Å |
| 384 | V | 92.5 | Very high | 91.9 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.036 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.2 | -43.8 | -176.4 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | L206 L210 V251 G380 W381 E382 M388 | L206-V384 HydrophobicContact CD1-CG1 4.06Å; L210-V384 HydrophobicContact CD2-CG1 4.08Å; L210-V384 HydrophobicContact CD2-CG2 4.45Å; V251-V384 HydrophobicContact CB-CG1 4.49Å; V251-V384 HydrophobicContact CG1-CG1 4.35Å; V251-V384 HydrophobicContact CG2-CG1 3.8Å; G380-V384 WeakPolarHBondContact O-CG2 3.4Å; W381-V384 PolarHBondContact O-N 3.25Å; E382-V384 PolarHBondContact O-N 3.11Å; V384-M388 PolarHBondContact O-N 3.28Å |
| 385 | I | 94.3 | Very high | 92 | Very high | 57 Ų | 57 | 34.4 Ų | 34.4 | 29% | 0.292 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68 | -45.3 | 179 | -66.9 | 172.8 | 0 | 0 | 0 | 110.2 | V251 L254 W381 A387 M388 V389 | V251-I385 HydrophobicContact CG2-CG1 4.48Å; L254-I385 HydrophobicContact CD1-CD1 4.19Å; L254-I385 HydrophobicContact CD1-CG1 4.13Å; W381-I385 HydrophobicContact CB-CD1 4.05Å; W381-I385 HydrophobicContact CE3-CD1 4.21Å; W381-I385 HydrophobicContact CE3-CG1 4.48Å; W381-I385 WeakPolarHBondContact O-CB 3.31Å; W381-I385 WeakPolarHBondContact O-CG1 3.39Å; W381-I385 PolarHBondContact O-N 3.01Å; I385-A387 VanDerWaalsContact C-N 3.33Å; I385-A387 PolarHBondContact O-N 3.16Å; I385-M388 PolarHBondContact O-N 3.08Å; I385-V389 WeakPolarHBondContact O-CG2 3.33Å; I385-V389 PolarHBondContact O-N 3.02Å |
| 386 | T | 93.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 34.6 Ų | 34.6 | 35% | 0.35 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 179.8 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | E382 M388 V389 I390 Y541 | E382-T386 VanDerWaalsContact O-CB 3.3Å; E382-T386 WeakPolarHBondContact O-CB 3.49Å; E382-T386 PolarHBondContact O-N 3.17Å; E382-T386 VanDerWaalsContact O-N 3.11Å; E382-T386 PolarHBondContact O-OG1 2.98Å; T386-M388 PolarHBondContact O-N 3.25Å; T386-V389 PolarHBondContact O-N 2.98Å; T386-I390 HydrophobicContact CG2-CD1 4.1Å; T386-I390 WeakPolarHBondContact O-CG1 3.2Å; T386-I390 PolarHBondContact O-N 3.49Å; T386-Y541 HydrophobicContact CG2-CD1 4.32Å; T386-Y541 HydrophobicContact CG2-CE1 3.61Å |
| 387 | A | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.3 | -45.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | N209 P383 I385 V389 I390 S391 P540 A544 | N209-A387 WeakPolarHBondContact ND2-CB 3.25Å; P383-A387 WeakPolarHBondContact O-CB 3.3Å; P383-A387 PolarHBondContact O-N 3.27Å; I385-A387 VanDerWaalsContact C-N 3.33Å; I385-A387 PolarHBondContact O-N 3.16Å; A387-V389 VanDerWaalsContact C-N 3.32Å; A387-V389 PolarHBondContact O-N 3.45Å; A387-I390 PolarHBondContact O-N 3.26Å; A387-S391 PolarHBondContact O-N 3.02Å; A387-S391 PolarHBondContact O-OG 2.93Å; A387-P540 HydrophobicContact CB-CB 3.87Å; A387-P540 WeakPolarHBondContact CB-O 3.39Å; A387-A544 HydrophobicContact CB-CB 3.73Å; A387-A544 VanDerWaalsContact O-CB 3.22Å; A387-A544 WeakPolarHBondContact O-CB 3.37Å |
| 388 | M | 95.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -41.6 | 175.7 | 176.7 | -79.5 | -64.5 | 0 | 0 | 112.3 | V251 L254 A255 A258 V384 I385 T386 S391 S392 | V251-M388 HydrophobicContact CG1-CB 3.57Å; V251-M388 HydrophobicContact CG1-CE 4.48Å; V251-M388 HydrophobicContact CG1-CG 3.64Å; L254-M388 HydrophobicContact CB-CE 3.54Å; A255-M388 VanDerWaalsContact CA-SD 3.55Å; A255-M388 HydrophobicContact CB-CG 3.84Å; A255-M388 HydrophobicContact CB-SD 3.96Å; A258-M388 HydrophobicContact CB-SD 4.05Å; V384-M388 PolarHBondContact O-N 3.28Å; I385-M388 PolarHBondContact O-N 3.08Å; T386-M388 PolarHBondContact O-N 3.25Å; M388-S391 PolarHBondContact O-N 3.34Å; M388-S392 WeakPolarHBondContact O-CB 3.21Å; M388-S392 PolarHBondContact O-N 2.91Å; M388-S392 PolarHBondContact O-OG 3.42Å; M388-S392 PolarHBondContact SD-OG 3.37Å |
| 389 | V | 94.8 | Very high | 93.1 | Very high | 71 Ų | 71 | 29.1 Ų | 29.1 | 43% | 0.43 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | I385 T386 A387 S392 I393 | I385-V389 WeakPolarHBondContact O-CG2 3.33Å; I385-V389 PolarHBondContact O-N 3.02Å; T386-V389 PolarHBondContact O-N 2.98Å; A387-V389 VanDerWaalsContact C-N 3.32Å; A387-V389 PolarHBondContact O-N 3.45Å; V389-S392 WeakPolarHBondContact O-CB 3.37Å; V389-S392 PolarHBondContact O-N 3.21Å; V389-I393 PolarHBondContact O-N 3Å |
| 390 | I | 95.5 | Very high | 93.4 | Very high | 33 Ų | 33 | 30.8 Ų | 30.8 | 17% | 0.169 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 177.3 | -66.1 | 167.9 | 0 | 0 | 0 | 110.7 | T386 A387 S392 I393 G394 A544 L548 | T386-I390 HydrophobicContact CG2-CD1 4.1Å; T386-I390 WeakPolarHBondContact O-CG1 3.2Å; T386-I390 PolarHBondContact O-N 3.49Å; A387-I390 PolarHBondContact O-N 3.26Å; I390-S392 VanDerWaalsContact C-N 3.26Å; I390-S392 PolarHBondContact O-N 3.45Å; I390-I393 WeakPolarHBondContact O-CB 3.2Å; I390-I393 PolarHBondContact O-N 3.23Å; I390-I393 VanDerWaalsContact O-N 3.15Å; I390-G394 PolarHBondContact O-N 2.82Å; I390-A544 HydrophobicContact CB-CB 3.93Å; I390-A544 HydrophobicContact CG2-CB 3.93Å; I390-A544 WeakPolarHBondContact CG2-O 3.45Å; I390-L548 HydrophobicContact CG2-CB 4.03Å; I390-L548 HydrophobicContact CG2-CD2 3.96Å |
| 391 | S | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.1 | -32.6 | 177 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | A387 M388 I393 G394 G395 A544 D547 | A387-S391 PolarHBondContact O-N 3.02Å; A387-S391 PolarHBondContact O-OG 2.93Å; M388-S391 PolarHBondContact O-N 3.34Å; S391-I393 VanDerWaalsContact C-N 3.32Å; S391-I393 PolarHBondContact O-N 3.39Å; S391-G394 CarbonylContact O-C 3.6Å; S391-G394 WeakPolarHBondContact O-CA 3.41Å; S391-G394 PolarHBondContact O-N 3.28Å; S391-G394 VanDerWaalsContact O-N 3.1Å; S391-G395 PolarHBondContact O-N 3.48Å; S391-A544 WeakPolarHBondContact OG-CA 3.41Å; S391-A544 WeakPolarHBondContact OG-CB 3.33Å; S391-D547 PolarHBondContact OG-OD2 3.02Å |
| 392 | S | 95.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.5 | -33.1 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | A202 L262 M388 V389 I390 G394 G395 L396 | A202-S392 WeakPolarHBondContact CB-OG 3.2Å; L262-S392 WeakPolarHBondContact CD1-O 3.42Å; M388-S392 WeakPolarHBondContact O-CB 3.21Å; M388-S392 PolarHBondContact O-N 2.91Å; M388-S392 PolarHBondContact O-OG 3.42Å; M388-S392 PolarHBondContact SD-OG 3.37Å; V389-S392 WeakPolarHBondContact O-CB 3.37Å; V389-S392 PolarHBondContact O-N 3.21Å; I390-S392 VanDerWaalsContact C-N 3.26Å; I390-S392 PolarHBondContact O-N 3.45Å; S392-G394 VanDerWaalsContact C-N 3.32Å; S392-G395 WeakPolarHBondContact O-CA 3.19Å; S392-G395 PolarHBondContact O-N 3.05Å; S392-L396 PolarHBondContact O-N 3.49Å |
| 393 | I | 95.3 | Very high | 93.4 | Very high | 74 Ų | 74 | 28.1 Ų | 28.1 | 38% | 0.379 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 171.2 | -60.7 | 168.4 | 0 | 0 | 0 | 110 | V389 I390 S391 G395 L396 I397 L548 | V389-I393 PolarHBondContact O-N 3Å; I390-I393 WeakPolarHBondContact O-CB 3.2Å; I390-I393 PolarHBondContact O-N 3.23Å; I390-I393 VanDerWaalsContact O-N 3.15Å; S391-I393 VanDerWaalsContact C-N 3.32Å; S391-I393 PolarHBondContact O-N 3.39Å; I393-G395 VanDerWaalsContact C-N 3.28Å; I393-G395 PolarHBondContact O-N 3.16Å; I393-L396 WeakPolarHBondContact O-CB 3.24Å; I393-L396 PolarHBondContact O-N 2.88Å; I393-I397 WeakPolarHBondContact O-CG1 3.31Å; I393-I397 PolarHBondContact O-N 3.38Å; I393-I397 VanDerWaalsContact O-N 3.14Å; I393-L548 HydrophobicContact CB-CD1 4.14Å; I393-L548 HydrophobicContact CG2-CD1 3.74Å |
| 394 | G | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.1 | -42.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I390 S391 S392 L396 I397 L398 T551 | I390-G394 PolarHBondContact O-N 2.82Å; S391-G394 CarbonylContact O-C 3.6Å; S391-G394 WeakPolarHBondContact O-CA 3.41Å; S391-G394 PolarHBondContact O-N 3.28Å; S391-G394 VanDerWaalsContact O-N 3.1Å; S392-G394 VanDerWaalsContact C-N 3.32Å; G394-L396 PolarHBondContact O-N 3.02Å; G394-I397 WeakPolarHBondContact O-CB 3.33Å; G394-I397 PolarHBondContact O-N 3.21Å; G394-L398 PolarHBondContact O-N 3.29Å; G394-T551 WeakPolarHBondContact O-CG2 3.29Å |
| 395 | G | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.7 | -45.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I198 S391 S392 I393 I397 L398 D399 | I198-G395 WeakPolarHBondContact O-CA 3.36Å; S391-G395 PolarHBondContact O-N 3.48Å; S392-G395 WeakPolarHBondContact O-CA 3.19Å; S392-G395 PolarHBondContact O-N 3.05Å; I393-G395 VanDerWaalsContact C-N 3.28Å; I393-G395 PolarHBondContact O-N 3.16Å; G395-I397 VanDerWaalsContact C-N 3.31Å; G395-I397 PolarHBondContact O-N 3.29Å; G395-L398 WeakPolarHBondContact O-CB 3.48Å; G395-L398 PolarHBondContact O-N 3.04Å; G395-D399 WeakPolarHBondContact O-CB 3.39Å; G395-D399 PolarHBondContact O-N 3.45Å |
| 396 | L | 94.8 | Very high | 92.1 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -38.2 | 177.6 | -179.2 | 64.4 | 0 | 0 | 0 | 112.2 | I198 L262 P266 S392 I393 G394 T400 | I198-L396 HydrophobicContact CD1-CD1 3.92Å; L262-L396 HydrophobicContact CB-CD1 4.46Å; L262-L396 HydrophobicContact CB-CD2 4.5Å; L262-L396 HydrophobicContact CD2-CD2 4.28Å; P266-L396 HydrophobicContact CG-CD1 4.39Å; S392-L396 PolarHBondContact O-N 3.49Å; I393-L396 WeakPolarHBondContact O-CB 3.24Å; I393-L396 PolarHBondContact O-N 2.88Å; G394-L396 PolarHBondContact O-N 3.02Å; L396-T400 WeakPolarHBondContact O-CB 3.35Å; L396-T400 PolarHBondContact O-N 2.97Å; L396-T400 PolarHBondContact O-OG1 3.4Å |
| 397 | I | 94.9 | Very high | 91.7 | Very high | 48 Ų | 48 | 34.6 Ų | 34.6 | 25% | 0.246 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 174.6 | -62.7 | 172.4 | 0 | 0 | 0 | 110.2 | I393 G394 G395 T401 L548 T551 A552 A555 | I393-I397 WeakPolarHBondContact O-CG1 3.31Å; I393-I397 PolarHBondContact O-N 3.38Å; I393-I397 VanDerWaalsContact O-N 3.14Å; G394-I397 WeakPolarHBondContact O-CB 3.33Å; G394-I397 PolarHBondContact O-N 3.21Å; G395-I397 VanDerWaalsContact C-N 3.31Å; G395-I397 PolarHBondContact O-N 3.29Å; I397-T401 WeakPolarHBondContact O-CB 3.44Å; I397-T401 PolarHBondContact O-N 3.43Å; I397-T401 PolarHBondContact O-OG1 3.41Å; I397-L548 HydrophobicContact CD1-CD1 3.82Å; I397-T551 HydrophobicContact CB-CG2 4.19Å; I397-T551 HydrophobicContact CG2-CG2 4.09Å; I397-A552 HydrophobicContact CD1-CB 3.83Å; I397-A555 HydrophobicContact CG2-CB 3.82Å |
| 398 | L | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.3 | -53.3 | 176.9 | 179.8 | 62.2 | 0 | 0 | 0 | 110.8 | V200 P201 G394 G395 T400 T401 V402 I410 T414 T551 | V200-L398 HydrophobicContact CG1-CD2 4.45Å; P201-L398 HydrophobicContact CG-CB 4.42Å; P201-L398 HydrophobicContact CG-CD2 3.76Å; G394-L398 PolarHBondContact O-N 3.29Å; G395-L398 WeakPolarHBondContact O-CB 3.48Å; G395-L398 PolarHBondContact O-N 3.04Å; L398-T400 VanDerWaalsContact C-N 3.35Å; L398-T400 PolarHBondContact O-N 3.04Å; L398-T401 PolarHBondContact O-N 2.94Å; L398-T401 VanDerWaalsContact O-N 3.08Å; L398-V402 HydrophobicContact CD1-CG2 3.83Å; L398-V402 HydrophobicContact CG-CG2 4.22Å; L398-V402 VanDerWaalsContact O-CG2 3.26Å; L398-V402 WeakPolarHBondContact O-CG2 3.24Å; L398-V402 PolarHBondContact O-N 2.89Å; L398-I410 HydrophobicContact CD1-CG2 4.09Å; L398-T414 HydrophobicContact CD1-CG2 4.2Å; L398-T414 HydrophobicContact CD2-CG2 4.25Å; L398-T551 HydrophobicContact CB-CG2 3.96Å |
| 399 | D | 93.1 | Very high | 90.8 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.7 | -48.1 | 179.1 | 178.2 | 50.8 | 0 | 0 | 0 | 112.8 | T194 F197 I198 G395 T401 V402 S403 | T194-D399 WeakPolarHBondContact CB-OD1 3.34Å; T194-D399 VanDerWaalsContact O-OD1 3.12Å; F197-D399 HydrophobicContact CB-CB 3.91Å; I198-D399 HydrophobicContact CD1-CB 4.36Å; I198-D399 HydrophobicContact CG1-CB 3.55Å; G395-D399 WeakPolarHBondContact O-CB 3.39Å; G395-D399 PolarHBondContact O-N 3.45Å; D399-T401 VanDerWaalsContact C-N 3.28Å; D399-T401 PolarHBondContact O-N 2.71Å; D399-V402 PolarHBondContact O-N 2.87Å; D399-S403 WeakPolarHBondContact O-CB 3.29Å; D399-S403 PolarHBondContact O-N 3.26Å; D399-S403 PolarHBondContact O-OG 3.29Å |
| 400 | T | 91.3 | Very high | 90.6 | Very high | 86 Ų | 86 | 32.7 Ų | 32.7 | 53% | 0.528 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.4 | -37.6 | 177.7 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | L396 L398 | L396-T400 WeakPolarHBondContact O-CB 3.35Å; L396-T400 PolarHBondContact O-N 2.97Å; L396-T400 PolarHBondContact O-OG1 3.4Å; L398-T400 VanDerWaalsContact C-N 3.35Å; L398-T400 PolarHBondContact O-N 3.04Å |
| 401 | T | 91.5 | Very high | 90.4 | Very high | 14 Ų | 14 | 31.1 Ų | 31.1 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -76.1 | -40.9 | -177.9 | -51.6 | 0 | 0 | 0 | 0 | 111.7 | I397 L398 D399 S403 D404 L407 I410 A555 | I397-T401 WeakPolarHBondContact O-CB 3.44Å; I397-T401 PolarHBondContact O-N 3.43Å; I397-T401 PolarHBondContact O-OG1 3.41Å; L398-T401 PolarHBondContact O-N 2.94Å; L398-T401 VanDerWaalsContact O-N 3.08Å; D399-T401 VanDerWaalsContact C-N 3.28Å; D399-T401 PolarHBondContact O-N 2.71Å; T401-S403 PolarHBondContact O-N 2.98Å; T401-D404 PolarHBondContact O-N 3.07Å; T401-D404 VanDerWaalsContact O-N 3.13Å; T401-L407 HydrophobicContact CG2-CB 3.6Å; T401-L407 HydrophobicContact CG2-CD1 3.77Å; T401-L407 HydrophobicContact CG2-CG 4.34Å; T401-I410 HydrophobicContact CG2-CB 4.34Å; T401-I410 HydrophobicContact CG2-CD1 3.69Å; T401-I410 HydrophobicContact CG2-CG2 3.92Å; T401-A555 HydrophobicContact CG2-CB 4.34Å |
| 402 | V | 88.8 | Confident | 90.3 | Very high | 18 Ų | 18 | 31.1 Ų | 31.1 | 11% | 0.109 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67 | -28.8 | 177.9 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | F197 L398 D399 D404 I410 V411 | F197-V402 HydrophobicContact CD2-CG1 4.46Å; F197-V402 HydrophobicContact CE1-CG1 4.1Å; F197-V402 HydrophobicContact CE2-CG1 4Å; F197-V402 HydrophobicContact CZ-CG1 3.81Å; L398-V402 HydrophobicContact CD1-CG2 3.83Å; L398-V402 HydrophobicContact CG-CG2 4.22Å; L398-V402 VanDerWaalsContact O-CG2 3.26Å; L398-V402 WeakPolarHBondContact O-CG2 3.24Å; L398-V402 PolarHBondContact O-N 2.89Å; D399-V402 PolarHBondContact O-N 2.87Å; V402-D404 PolarHBondContact O-N 2.96Å; V402-I410 HydrophobicContact CG2-CG2 3.85Å; V402-V411 HydrophobicContact CB-CG2 4.36Å; V402-V411 HydrophobicContact CG1-CG2 4.13Å; V402-V411 HydrophobicContact CG2-CG2 3.27Å |
| 403 | S | 87.3 | Confident | 90.3 | Very high | 74 Ų | 74 | 31.2 Ų | 31.2 | 52% | 0.517 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.3 | 173.9 | -64.8 | 0 | 0 | 0 | 0 | 113.5 | D399 T401 P405 | D399-S403 WeakPolarHBondContact O-CB 3.29Å; D399-S403 PolarHBondContact O-N 3.26Å; D399-S403 PolarHBondContact O-OG 3.29Å; T401-S403 PolarHBondContact O-N 2.98Å; S403-P405 WeakPolarHBondContact O-CD 3.34Å |
| 404 | D | 86.8 | Confident | 90.2 | Very high | 56 Ų | 56 | 27.9 Ų | 27.9 | 30% | 0.299 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -86.7 | 115.2 | 170.5 | -171 | -20.7 | 0 | 0 | 0 | 110 | T401 V402 N406 L407 V408 | T401-D404 PolarHBondContact O-N 3.07Å; T401-D404 VanDerWaalsContact O-N 3.13Å; V402-D404 PolarHBondContact O-N 2.96Å; D404-N406 PolarHBondContact O-N 3.16Å; D404-N406 WeakPolarHBondContact OD1-CB 3.32Å; D404-N406 PolarHBondContact OD1-N 3.44Å; D404-N406 PolarHBondContact OD1-ND2 3.05Å; D404-L407 HydrophobicContact CB-CB 4.37Å; D404-L407 HydrophobicContact CB-CD1 4.17Å; D404-L407 HydrophobicContact CB-CG 4.12Å; D404-L407 PolarHBondContact O-N 3.34Å; D404-V408 PolarHBondContact O-N 3.49Å |
| 405 | P | 82.4 | Confident | 90.2 | Very high | 108 Ų | 108 | 28 Ų | 28 | 70% | 0.701 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -55.7 | -25.5 | 178.9 | -24.8 | 34.2 | 0 | 0 | 0 | 114 | S403 L407 | S403-P405 WeakPolarHBondContact O-CD 3.34Å; P405-L407 VanDerWaalsContact C-N 3.28Å; P405-L407 PolarHBondContact O-N 2.88Å |
| 406 | N | 81.8 | Confident | 90.2 | Very high | 80 Ų | 80 | 28 Ų | 28 | 43% | 0.428 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -75.7 | -16.3 | 179.6 | -57.4 | -75.1 | 0 | 0 | 0 | 113.1 | D404 | D404-N406 PolarHBondContact O-N 3.16Å; D404-N406 WeakPolarHBondContact OD1-CB 3.32Å; D404-N406 PolarHBondContact OD1-N 3.44Å; D404-N406 PolarHBondContact OD1-ND2 3.05Å |
| 407 | L | 86 | Confident | 90.2 | Very high | 12 Ų | 12 | 26.2 Ų | 26.2 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -119 | 11.8 | -172.2 | -48.7 | -179.8 | 0 | 0 | 0 | 112.3 | T401 D404 P405 G409 I410 F558 W562 | T401-L407 HydrophobicContact CG2-CB 3.6Å; T401-L407 HydrophobicContact CG2-CD1 3.77Å; T401-L407 HydrophobicContact CG2-CG 4.34Å; D404-L407 HydrophobicContact CB-CB 4.37Å; D404-L407 HydrophobicContact CB-CD1 4.17Å; D404-L407 HydrophobicContact CB-CG 4.12Å; D404-L407 PolarHBondContact O-N 3.34Å; P405-L407 VanDerWaalsContact C-N 3.28Å; P405-L407 PolarHBondContact O-N 2.88Å; L407-G409 PolarHBondContact O-N 2.68Å; L407-G409 VanDerWaalsContact O-N 3.08Å; L407-I410 WeakPolarHBondContact O-CB 2.95Å; L407-I410 WeakPolarHBondContact O-CG2 3.23Å; L407-I410 PolarHBondContact O-N 2.87Å; L407-I410 VanDerWaalsContact O-N 3.09Å; L407-F558 HydrophobicContact CD2-CB 4.15Å; L407-W562 HydrophobicContact CD2-CB 4.22Å |
| 408 | V | 84.5 | Confident | 90.2 | Very high | 35 Ų | 35 | 24.3 Ų | 24.3 | 21% | 0.212 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.9 | -175.9 | 83.5 | 0 | 0 | 0 | 0 | 113.3 | Q185 D404 I410 V411 H494 | Q185-V408 VanDerWaalsContact OE1-CG2 3.25Å; D404-V408 PolarHBondContact O-N 3.49Å; V408-I410 PolarHBondContact O-N 3.24Å; V408-I410 VanDerWaalsContact O-N 3.15Å; V408-V411 WeakPolarHBondContact O-CG2 3.39Å; V408-V411 PolarHBondContact O-N 3.44Å; V408-H494 HydrophobicContact CG1-CB 4.21Å |
| 409 | G | 86.2 | Confident | 90.1 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L407 V411 Y413 G493 | L407-G409 PolarHBondContact O-N 2.68Å; L407-G409 VanDerWaalsContact O-N 3.08Å; G409-V411 PolarHBondContact O-N 3.47Å; G409-V411 VanDerWaalsContact O-N 3.12Å; G409-Y413 WeakPolarHBondContact O-CD2 3.1Å; G409-Y413 WeakPolarHBondContact O-CE2 3.38Å; G409-G493 VanDerWaalsContact CA-O 3.24Å; G409-G493 WeakPolarHBondContact CA-O 3.33Å |
| 410 | I | 91.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.1 | -28.7 | -179.9 | -166.3 | 167.6 | 0 | 0 | 0 | 113.6 | L398 T401 V402 L407 V408 V412 Y413 T414 L554 A555 F558 | L398-I410 HydrophobicContact CD1-CG2 4.09Å; T401-I410 HydrophobicContact CG2-CB 4.34Å; T401-I410 HydrophobicContact CG2-CD1 3.69Å; T401-I410 HydrophobicContact CG2-CG2 3.92Å; V402-I410 HydrophobicContact CG2-CG2 3.85Å; L407-I410 WeakPolarHBondContact O-CB 2.95Å; L407-I410 WeakPolarHBondContact O-CG2 3.23Å; L407-I410 PolarHBondContact O-N 2.87Å; L407-I410 VanDerWaalsContact O-N 3.09Å; V408-I410 PolarHBondContact O-N 3.24Å; V408-I410 VanDerWaalsContact O-N 3.15Å; I410-V412 PolarHBondContact O-N 3.03Å; I410-Y413 PolarHBondContact O-N 3.22Å; I410-Y413 VanDerWaalsContact O-N 3.13Å; I410-T414 PolarHBondContact O-N 3.35Å; I410-T414 PolarHBondContact O-OG1 2.98Å; I410-L554 HydrophobicContact CD1-CB 4.34Å; I410-L554 HydrophobicContact CD1-CD2 4.12Å; I410-L554 HydrophobicContact CD1-CG 4Å; I410-L554 HydrophobicContact CG1-CD2 3.49Å; I410-L554 VanDerWaalsContact CG1-CD2 3.49Å; I410-L554 HydrophobicContact CG1-CG 3.74Å; I410-A555 HydrophobicContact CD1-CB 3.89Å; I410-F558 HydrophobicContact CB-CD2 4.3Å; I410-F558 HydrophobicContact CB-CE2 4.29Å; I410-F558 HydrophobicContact CB-CG 4.5Å; I410-F558 HydrophobicContact CB-CZ 4.48Å; I410-F558 HydrophobicContact CG1-CD2 4.27Å; I410-F558 HydrophobicContact CG1-CE2 4.38Å |
| 411 | V | 91.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | -170.4 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | L181 Q185 V402 V408 G409 Y413 P415 | L181-V411 HydrophobicContact CB-CG1 3.82Å; L181-V411 HydrophobicContact CD2-CG1 3.57Å; L181-V411 HydrophobicContact CG-CG1 3.35Å; Q185-V411 HydrophobicContact CB-CG1 4.47Å; Q185-V411 HydrophobicContact CG-CG1 4.46Å; V402-V411 HydrophobicContact CB-CG2 4.36Å; V402-V411 HydrophobicContact CG1-CG2 4.13Å; V402-V411 HydrophobicContact CG2-CG2 3.27Å; V408-V411 WeakPolarHBondContact O-CG2 3.39Å; V408-V411 PolarHBondContact O-N 3.44Å; G409-V411 PolarHBondContact O-N 3.47Å; G409-V411 VanDerWaalsContact O-N 3.12Å; V411-Y413 VanDerWaalsContact C-N 3.29Å; V411-Y413 PolarHBondContact O-N 3.23Å; V411-P415 WeakPolarHBondContact O-CD 3.21Å |
| 412 | V | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.1 | -31.9 | -179 | 73.4 | 0 | 0 | 0 | 0 | 112 | G178 M179 D182 I410 I487 S492 G493 | G178-V412 WeakPolarHBondContact CA-O 3.36Å; M179-V412 HydrophobicContact CG-CG2 4.35Å; D182-V412 HydrophobicContact CB-CB 4.28Å; I410-V412 PolarHBondContact O-N 3.03Å; V412-I487 HydrophobicContact CG1-CG2 4.11Å; V412-I487 HydrophobicContact CG2-CD1 4.32Å; V412-I487 HydrophobicContact CG2-CG1 4.33Å; V412-I487 HydrophobicContact CG2-CG2 3.99Å; V412-S492 WeakPolarHBondContact CG2-OG 3.42Å; V412-G493 VanDerWaalsContact CG1-CA 3.46Å |
| 413 | Y | 94 | Very high | 90.2 | Very high | 3 Ų | 3 | 20 Ų | 20 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -87.5 | -20.9 | -173.3 | -61.8 | -71 | 0 | 0 | 0 | 113 | G409 I410 V411 V416 I417 L484 I487 T495 F501 Y505 F558 | G409-Y413 WeakPolarHBondContact O-CD2 3.1Å; G409-Y413 WeakPolarHBondContact O-CE2 3.38Å; I410-Y413 PolarHBondContact O-N 3.22Å; I410-Y413 VanDerWaalsContact O-N 3.13Å; V411-Y413 VanDerWaalsContact C-N 3.29Å; V411-Y413 PolarHBondContact O-N 3.23Å; Y413-V416 WeakPolarHBondContact O-CB 3.36Å; Y413-V416 PolarHBondContact O-N 3.43Å; Y413-I417 WeakPolarHBondContact O-CG2 3.29Å; Y413-I417 PolarHBondContact O-N 2.91Å; Y413-L484 HydrophobicContact CD1-CD2 3.75Å; Y413-L484 HydrophobicContact CE1-CD2 3.44Å; Y413-L484 VanDerWaalsContact CE1-CD2 3.44Å; Y413-I487 HydrophobicContact CD1-CD1 3.75Å; Y413-I487 HydrophobicContact CE1-CD1 3.71Å; Y413-I487 HydrophobicContact CE1-CG2 4.18Å; Y413-T495 HydrophobicContact CE2-CG2 4.29Å; Y413-T495 VanDerWaalsContact CE2-OG1 3.3Å; Y413-T495 WeakPolarHBondContact CE2-OG1 3.34Å; Y413-T495 PolarHBondContact OH-OG1 3.17Å; Y413-F501 HydrophobicContact CD1-CZ 4.38Å; Y413-F501 HydrophobicContact CD2-CZ 4.12Å; Y413-F501 HydrophobicContact CE1-CE1 4.07Å; Y413-F501 AromaticContact CE1-CZ 3.95Å; Y413-F501 HydrophobicContact CE1-CZ 3.95Å; Y413-F501 HydrophobicContact CE2-CE1 4.45Å; Y413-F501 HydrophobicContact CE2-CE2 4.36Å; Y413-F501 AromaticContact CE2-CZ 3.66Å; Y413-F501 HydrophobicContact CE2-CZ 3.66Å; Y413-F501 HydrophobicContact CG-CZ 4.47Å; Y413-F501 AromaticContact CZ-CE1 3.9Å; Y413-F501 AromaticContact CZ-CZ 3.56Å; Y413-Y505 HydrophobicContact CD1-CE2 4.07Å; Y413-Y505 HydrophobicContact CG-CE2 4.29Å; Y413-F558 AromaticContact CD2-CE2 3.97Å; Y413-F558 HydrophobicContact CD2-CE2 3.97Å; Y413-F558 AromaticContact CD2-CZ 3.67Å; Y413-F558 HydrophobicContact CD2-CZ 3.67Å; Y413-F558 AromaticContact CE2-CZ 3.86Å; Y413-F558 HydrophobicContact CE2-CZ 3.86Å |
| 414 | T | 94.1 | Very high | 90.4 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 3% | 0.025 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.4 | -50.3 | -175.3 | -62.3 | 0 | 0 | 0 | 0 | 112.6 | L398 I410 V416 I417 N418 T551 | L398-T414 HydrophobicContact CD1-CG2 4.2Å; L398-T414 HydrophobicContact CD2-CG2 4.25Å; I410-T414 PolarHBondContact O-N 3.35Å; I410-T414 PolarHBondContact O-OG1 2.98Å; T414-V416 PolarHBondContact O-N 3.16Å; T414-I417 WeakPolarHBondContact O-CG2 3.38Å; T414-I417 PolarHBondContact O-N 3.32Å; T414-N418 WeakPolarHBondContact CG2-ND2 3.33Å; T414-N418 VanDerWaalsContact O-CB 3.3Å; T414-N418 WeakPolarHBondContact O-CB 3.41Å; T414-N418 VanDerWaalsContact O-CG 3.26Å; T414-N418 PolarHBondContact O-N 3.35Å; T414-T551 HydrophobicContact CG2-CG2 4.24Å |
| 415 | P | 93.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 13.9 Ų | 13.9 | 2% | 0.019 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.5 | -31.9 | 175.2 | -27.4 | 39.3 | 0 | 0 | 0 | 113 | T174 A177 L181 L204 L328 V411 G419 | T174-P415 WeakPolarHBondContact CB-O 3.26Å; A177-P415 HydrophobicContact CB-CB 4.21Å; L181-P415 HydrophobicContact CD2-CG 4.06Å; L204-P415 HydrophobicContact CD1-CB 4.5Å; L328-P415 HydrophobicContact CD1-CG 4.4Å; V411-P415 WeakPolarHBondContact O-CD 3.21Å; P415-G419 WeakPolarHBondContact O-CA 3.36Å; P415-G419 PolarHBondContact O-N 2.74Å |
| 416 | V | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -69.2 | -53 | -179.5 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | V175 Y413 T414 I420 F483 I487 | V175-V416 HydrophobicContact CB-CG2 4.33Å; V175-V416 HydrophobicContact CG2-CG1 4.35Å; V175-V416 HydrophobicContact CG2-CG2 3.73Å; Y413-V416 WeakPolarHBondContact O-CB 3.36Å; Y413-V416 PolarHBondContact O-N 3.43Å; T414-V416 PolarHBondContact O-N 3.16Å; V416-I420 HydrophobicContact CG1-CD1 3.56Å; V416-I420 VanDerWaalsContact O-CB 3.28Å; V416-I420 WeakPolarHBondContact O-CB 3.44Å; V416-I420 WeakPolarHBondContact O-CD1 3.34Å; V416-I420 WeakPolarHBondContact O-CG1 3.39Å; V416-I420 PolarHBondContact O-N 3.04Å; V416-F483 HydrophobicContact CG1-CB 4.11Å; V416-F483 HydrophobicContact CG1-CD2 4.45Å; V416-I487 HydrophobicContact CG2-CD1 4.24Å |
| 417 | I | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | -178.2 | -164.8 | 160.8 | 0 | 0 | 0 | 111.8 | Y413 T414 G421 Y505 A508 A509 Q512 L554 | Y413-I417 WeakPolarHBondContact O-CG2 3.29Å; Y413-I417 PolarHBondContact O-N 2.91Å; T414-I417 WeakPolarHBondContact O-CG2 3.38Å; T414-I417 PolarHBondContact O-N 3.32Å; I417-G421 PolarHBondContact O-N 2.92Å; I417-Y505 HydrophobicContact CD1-CE2 4.46Å; I417-A508 HydrophobicContact CD1-CB 4.39Å; I417-A509 HydrophobicContact CD1-CB 4.34Å; I417-Q512 PolarHBondContact O-NE2 3.42Å; I417-Q512 PolarHBondContact O-OE1 3.19Å; I417-L554 HydrophobicContact CD1-CB 4.36Å; I417-L554 HydrophobicContact CD1-CD1 4.49Å; I417-L554 HydrophobicContact CG2-CB 4.41Å; I417-L554 HydrophobicContact CG2-CD2 3.93Å |
| 418 | N | 94.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 6.2 Ų | 6.2 | 4% | 0.043 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -69.8 | -51.9 | 178.9 | -67.4 | -4.1 | 0 | 0 | 0 | 111 | T414 I420 G421 G422 D547 G550 T551 | T414-N418 WeakPolarHBondContact CG2-ND2 3.33Å; T414-N418 VanDerWaalsContact O-CB 3.3Å; T414-N418 WeakPolarHBondContact O-CB 3.41Å; T414-N418 VanDerWaalsContact O-CG 3.26Å; T414-N418 PolarHBondContact O-N 3.35Å; N418-I420 PolarHBondContact O-N 3.46Å; N418-G421 PolarHBondContact O-N 3.32Å; N418-G422 PolarHBondContact O-N 3.5Å; N418-D547 PolarHBondContact ND2-O 3.43Å; N418-D547 PolarHBondContact OD1-O 3.2Å; N418-G550 VanDerWaalsContact OD1-CA 3.31Å; N418-G550 WeakPolarHBondContact OD1-CA 3.44Å; N418-T551 PolarHBondContact ND2-OG1 3.24Å; N418-T551 PolarHBondContact OD1-N 3.5Å; N418-T551 VanDerWaalsContact OD1-N 3.14Å; N418-T551 PolarHBondContact OD1-OG1 3.48Å |
| 419 | G | 92.2 | Very high | 91.6 | Very high | 10 Ų | 10 | 4.7 Ų | 4.7 | 10% | 0.103 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P415 N423 | P415-G419 WeakPolarHBondContact O-CA 3.36Å; P415-G419 PolarHBondContact O-N 2.74Å; G419-N423 VanDerWaalsContact O-CB 3.28Å; G419-N423 WeakPolarHBondContact O-CB 3.5Å; G419-N423 PolarHBondContact O-N 3.29Å; G419-N423 PolarHBondContact O-ND2 3.44Å |
| 420 | I | 92.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 5.7 Ų | 5.7 | 2% | 0.015 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -66.7 | -47.7 | 177.1 | -68.8 | 164.8 | 0 | 0 | 0 | 111.3 | F167 V416 N418 G422 N423 L424 H480 F483 | F167-I420 HydrophobicContact CE2-CG2 3.72Å; F167-I420 HydrophobicContact CZ-CG2 4.2Å; V416-I420 HydrophobicContact CG1-CD1 3.56Å; V416-I420 VanDerWaalsContact O-CB 3.28Å; V416-I420 WeakPolarHBondContact O-CB 3.44Å; V416-I420 WeakPolarHBondContact O-CD1 3.34Å; V416-I420 WeakPolarHBondContact O-CG1 3.39Å; V416-I420 PolarHBondContact O-N 3.04Å; N418-I420 PolarHBondContact O-N 3.46Å; I420-G422 PolarHBondContact O-N 3.43Å; I420-N423 PolarHBondContact O-N 2.89Å; I420-L424 HydrophobicContact CG2-CD1 3.9Å; I420-L424 HydrophobicContact CG2-CG 4.33Å; I420-L424 WeakPolarHBondContact O-CG 3.44Å; I420-L424 PolarHBondContact O-N 2.7Å; I420-H480 WeakPolarHBondContact CG2-NE2 3.48Å; I420-F483 HydrophobicContact CD1-CD2 3.19Å; I420-F483 HydrophobicContact CD1-CE2 3.32Å; I420-F483 HydrophobicContact CD1-CG 4.27Å; I420-F483 HydrophobicContact CD1-CZ 4.47Å; I420-F483 HydrophobicContact CG1-CD2 4.38Å; I420-F483 HydrophobicContact CG1-CE2 4.11Å |
| 421 | G | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | I417 N418 V425 | I417-G421 PolarHBondContact O-N 2.92Å; N418-G421 PolarHBondContact O-N 3.32Å; G421-V425 WeakPolarHBondContact O-CG1 3.45Å; G421-V425 PolarHBondContact O-N 2.88Å; G421-V425 VanDerWaalsContact O-N 3.09Å |
| 422 | G | 91.7 | Very high | 90.9 | Very high | 4 Ų | 4 | 8.3 Ų | 8.3 | 4% | 0.041 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N418 I420 V425 A426 | N418-G422 PolarHBondContact O-N 3.5Å; I420-G422 PolarHBondContact O-N 3.43Å; G422-V425 VanDerWaalsContact O-CG1 3.32Å; G422-V425 WeakPolarHBondContact O-CG1 3.49Å; G422-A426 VanDerWaalsContact O-CB 3.29Å; G422-A426 WeakPolarHBondContact O-CB 3.28Å; G422-A426 PolarHBondContact O-N 3.04Å |
| 423 | N | 88.5 | Confident | 90.5 | Very high | 18 Ų | 18 | 8.3 Ų | 8.3 | 10% | 0.096 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.7 | -45.6 | 179.4 | -69.5 | -26.4 | 0 | 0 | 0 | 112.3 | A320 G419 I420 A426 I427 | A320-N423 WeakPolarHBondContact CB-ND2 3.39Å; A320-N423 WeakPolarHBondContact CB-OD1 3.49Å; G419-N423 VanDerWaalsContact O-CB 3.28Å; G419-N423 WeakPolarHBondContact O-CB 3.5Å; G419-N423 PolarHBondContact O-N 3.29Å; G419-N423 PolarHBondContact O-ND2 3.44Å; I420-N423 PolarHBondContact O-N 2.89Å; N423-A426 PolarHBondContact O-N 3.14Å; N423-I427 WeakPolarHBondContact O-CG1 3.47Å; N423-I427 PolarHBondContact O-N 3.39Å |
| 424 | L | 91.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.4 | -43.3 | -179.5 | -70.5 | 176.4 | 0 | 0 | 0 | 111.6 | F167 I420 A426 I427 Q428 L472 V476 V513 | F167-L424 HydrophobicContact CD2-CD2 3.69Å; F167-L424 HydrophobicContact CD2-CG 4.3Å; F167-L424 HydrophobicContact CE2-CD1 4.02Å; F167-L424 HydrophobicContact CE2-CD2 3.76Å; F167-L424 HydrophobicContact CE2-CG 4.03Å; I420-L424 HydrophobicContact CG2-CD1 3.9Å; I420-L424 HydrophobicContact CG2-CG 4.33Å; I420-L424 WeakPolarHBondContact O-CG 3.44Å; I420-L424 PolarHBondContact O-N 2.7Å; L424-A426 VanDerWaalsContact C-N 3.34Å; L424-I427 PolarHBondContact O-N 2.92Å; L424-Q428 PolarHBondContact O-N 2.9Å; L424-Q428 VanDerWaalsContact O-N 3.09Å; L424-L472 HydrophobicContact CD2-CB 4.39Å; L424-L472 HydrophobicContact CD2-CD2 3.6Å; L424-V476 HydrophobicContact CD1-CG2 3.86Å; L424-V513 HydrophobicContact CD1-CG1 4.06Å; L424-V513 HydrophobicContact CD1-CG2 4.13Å |
| 425 | V | 92.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -69.5 | -33.8 | 179.9 | 75.3 | 0 | 0 | 0 | 0 | 112 | G421 G422 Q428 A429 L516 A520 L542 | G421-V425 WeakPolarHBondContact O-CG1 3.45Å; G421-V425 PolarHBondContact O-N 2.88Å; G421-V425 VanDerWaalsContact O-N 3.09Å; G422-V425 VanDerWaalsContact O-CG1 3.32Å; G422-V425 WeakPolarHBondContact O-CG1 3.49Å; V425-Q428 PolarHBondContact O-N 2.87Å; V425-A429 WeakPolarHBondContact O-CB 3.33Å; V425-A429 PolarHBondContact O-N 3.42Å; V425-L516 HydrophobicContact CB-CB 3.99Å; V425-L516 HydrophobicContact CB-CD1 4.41Å; V425-L516 HydrophobicContact CG1-CD1 4.32Å; V425-L516 HydrophobicContact CG2-CB 3.79Å; V425-L516 WeakPolarHBondContact CG2-O 3.49Å; V425-A520 HydrophobicContact CG2-CB 3.71Å; V425-L542 HydrophobicContact CB-CB 4.45Å; V425-L542 HydrophobicContact CG1-CB 3.75Å; V425-L542 HydrophobicContact CG2-CB 3.81Å; V425-L542 HydrophobicContact CG2-CD1 3.97Å; V425-L542 HydrophobicContact CG2-CD2 3.84Å; V425-L542 HydrophobicContact CG2-CG 4.01Å |
| 426 | A | 89 | Confident | 88.9 | Confident | 5 Ų | 5 | 11.9 Ų | 11.9 | 4% | 0.041 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M212 G422 N423 L424 Q428 A429 S430 I539 T543 | M212-A426 HydrophobicContact CE-CB 4.37Å; M212-A426 HydrophobicContact CG-CB 4.45Å; M212-A426 HydrophobicContact SD-CB 3.19Å; M212-A426 WeakPolarHBondContact SD-CB 3.08Å; G422-A426 VanDerWaalsContact O-CB 3.29Å; G422-A426 WeakPolarHBondContact O-CB 3.28Å; G422-A426 PolarHBondContact O-N 3.04Å; N423-A426 PolarHBondContact O-N 3.14Å; L424-A426 VanDerWaalsContact C-N 3.34Å; A426-Q428 VanDerWaalsContact C-N 3.31Å; A426-Q428 PolarHBondContact O-N 2.85Å; A426-A429 PolarHBondContact O-N 3.33Å; A426-S430 WeakPolarHBondContact O-CB 3.44Å; A426-S430 PolarHBondContact O-N 2.98Å; A426-I539 HydrophobicContact CB-CG2 4.31Å; A426-T543 HydrophobicContact CB-CG2 4.47Å |
| 427 | I | 84.9 | Confident | 88.2 | Confident | 33 Ų | 33 | 15 Ų | 15 | 17% | 0.169 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.4 | -45.7 | 171.7 | -68.1 | 166 | 0 | 0 | 0 | 110 | I163 N423 L424 R431 L472 | I163-I427 HydrophobicContact CD1-CG2 4.33Å; I163-I427 HydrophobicContact CG2-CD1 4.33Å; N423-I427 WeakPolarHBondContact O-CG1 3.47Å; N423-I427 PolarHBondContact O-N 3.39Å; L424-I427 PolarHBondContact O-N 2.92Å; I427-R431 WeakPolarHBondContact O-CG 3.44Å; I427-R431 PolarHBondContact O-N 2.89Å; I427-L472 HydrophobicContact CB-CD2 4.48Å; I427-L472 HydrophobicContact CG2-CD1 4.49Å; I427-L472 HydrophobicContact CG2-CD2 4.15Å |
| 428 | Q | 90 | Very high | 87.4 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.8 | -46.5 | 178 | -175.4 | 64.4 | 7.2 | 0 | 0 | 111.9 | L424 V425 A426 R431 I432 N465 S468 L472 L517 A520 | L424-Q428 PolarHBondContact O-N 2.9Å; L424-Q428 VanDerWaalsContact O-N 3.09Å; V425-Q428 PolarHBondContact O-N 2.87Å; A426-Q428 VanDerWaalsContact C-N 3.31Å; A426-Q428 PolarHBondContact O-N 2.85Å; Q428-R431 PolarHBondContact O-N 3.28Å; Q428-I432 HydrophobicContact CG-CD1 3.92Å; Q428-I432 HydrophobicContact CG-CG1 4.49Å; Q428-I432 VanDerWaalsContact O-CG1 3.3Å; Q428-I432 WeakPolarHBondContact O-CG1 3.46Å; Q428-I432 PolarHBondContact O-N 3.38Å; Q428-N465 PolarHBondContact NE2-O 2.88Å; Q428-S468 VanDerWaalsContact OE1-CB 3.23Å; Q428-S468 PolarHBondContact OE1-OG 3.05Å; Q428-L472 HydrophobicContact CB-CD1 3.68Å; Q428-L472 HydrophobicContact CG-CD1 4.41Å; Q428-L517 HydrophobicContact CB-CD2 3.61Å; Q428-L517 HydrophobicContact CG-CD2 3.8Å; Q428-A520 HydrophobicContact CG-CB 4.38Å |
| 429 | A | 89.3 | Confident | 86.7 | Confident | 2 Ų | 2 | 21 Ų | 21 | 2% | 0.017 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.8 | -45.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V425 A426 I432 S433 V524 I539 L542 | V425-A429 WeakPolarHBondContact O-CB 3.33Å; V425-A429 PolarHBondContact O-N 3.42Å; A426-A429 PolarHBondContact O-N 3.33Å; A429-I432 PolarHBondContact O-N 3.4Å; A429-S433 VanDerWaalsContact O-CB 3.25Å; A429-S433 WeakPolarHBondContact O-CB 3.26Å; A429-S433 PolarHBondContact O-N 3.44Å; A429-V524 HydrophobicContact CB-CG2 4.09Å; A429-I539 HydrophobicContact CB-CG1 4.12Å; A429-L542 HydrophobicContact CB-CD1 3.64Å |
| 430 | S | 84.2 | Confident | 85.9 | Confident | 23 Ų | 23 | 21.6 Ų | 21.6 | 16% | 0.161 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 175.9 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | A426 I432 S433 T434 | A426-S430 WeakPolarHBondContact O-CB 3.44Å; A426-S430 PolarHBondContact O-N 2.98Å; S430-I432 PolarHBondContact O-N 3.02Å; S430-S433 WeakPolarHBondContact O-CB 3.39Å; S430-S433 PolarHBondContact O-N 2.8Å; S430-T434 PolarHBondContact O-N 3.31Å; S430-T434 PolarHBondContact O-OG1 3.49Å |
| 431 | R | 83.9 | Confident | 85.2 | Confident | 55 Ų | 55 | 27 Ų | 27 | 21% | 0.208 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 177.7 | -72.9 | -178.5 | 76.4 | 117.4 | 8.3 | 113.3 | E154 M159 I427 Q428 Y435 S468 | E154-R431 IonicContact OE2-CZ 3.29Å; E154-R431 IonicContact OE2-NH1 3.56Å; E154-R431 PolarHBondContact OE2-NH1 3.3Å; E154-R431 IonicContact OE2-NH2 2.89Å; E154-R431 PolarHBondContact OE2-NH2 3.22Å; M159-R431 VanDerWaalsContact CG-NH1 3.29Å; M159-R431 PolarHBondContact SD-NH1 3.34Å; M159-R431 PolarHBondContact SD-NH2 3.48Å; I427-R431 WeakPolarHBondContact O-CG 3.44Å; I427-R431 PolarHBondContact O-N 2.89Å; Q428-R431 PolarHBondContact O-N 3.28Å; R431-Y435 WeakPolarHBondContact O-CB 3.37Å; R431-Y435 PolarHBondContact O-N 2.83Å; R431-S468 WeakPolarHBondContact CD-OG 3.14Å |
| 432 | I | 85.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.5 | -43.6 | 176.9 | -61 | 168.8 | 0 | 0 | 0 | 109.9 | Q428 A429 S430 Y435 L436 N465 D521 V524 | Q428-I432 HydrophobicContact CG-CD1 3.92Å; Q428-I432 HydrophobicContact CG-CG1 4.49Å; Q428-I432 VanDerWaalsContact O-CG1 3.3Å; Q428-I432 WeakPolarHBondContact O-CG1 3.46Å; Q428-I432 PolarHBondContact O-N 3.38Å; A429-I432 PolarHBondContact O-N 3.4Å; S430-I432 PolarHBondContact O-N 3.02Å; I432-Y435 WeakPolarHBondContact O-CB 3.49Å; I432-Y435 PolarHBondContact O-N 2.72Å; I432-L436 HydrophobicContact CG2-CD1 4.05Å; I432-L436 HydrophobicContact CG2-CG 4.49Å; I432-L436 WeakPolarHBondContact O-CG 3.42Å; I432-L436 PolarHBondContact O-N 3.24Å; I432-N465 HydrophobicContact CG1-CB 4.09Å; I432-D521 HydrophobicContact CD1-CB 4.5Å; I432-V524 HydrophobicContact CB-CB 4.41Å; I432-V524 HydrophobicContact CB-CG1 3.88Å; I432-V524 HydrophobicContact CG2-CB 3.99Å; I432-V524 HydrophobicContact CG2-CG1 3.38Å |
| 433 | S | 84.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.4 | -51.6 | 177 | 175.5 | 0 | 0 | 0 | 0 | 112 | A429 S430 Y435 L436 H437 P534 D535 | A429-S433 VanDerWaalsContact O-CB 3.25Å; A429-S433 WeakPolarHBondContact O-CB 3.26Å; A429-S433 PolarHBondContact O-N 3.44Å; S430-S433 WeakPolarHBondContact O-CB 3.39Å; S430-S433 PolarHBondContact O-N 2.8Å; S433-Y435 VanDerWaalsContact C-N 3.29Å; S433-Y435 PolarHBondContact O-N 3.49Å; S433-L436 PolarHBondContact O-N 2.94Å; S433-L436 VanDerWaalsContact O-N 3.1Å; S433-H437 PolarHBondContact O-CD2 2.89Å; S433-H437 VanDerWaalsContact O-CD2 3.28Å; S433-H437 PolarHBondContact O-N 3.5Å; S433-H437 PolarHBondContact OG-CD2 3.21Å; S433-P534 WeakPolarHBondContact OG-CG 3.34Å; S433-D535 WeakPolarHBondContact CB-OD1 3.25Å; S433-D535 VanDerWaalsContact OG-CG 3.32Å; S433-D535 PolarHBondContact OG-OD1 2.92Å |
| 434 | T | 81.7 | Confident | 83.1 | Confident | 38 Ų | 38 | 36.4 Ų | 36.4 | 23% | 0.233 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.8 | -40.8 | 175.6 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | S430 L436 H437 L438 | S430-T434 PolarHBondContact O-N 3.31Å; S430-T434 PolarHBondContact O-OG1 3.49Å; T434-L436 VanDerWaalsContact C-N 3.33Å; T434-L436 PolarHBondContact O-N 3.36Å; T434-H437 PolarHBondContact O-N 2.85Å; T434-L438 HydrophobicContact CG2-CD1 3.98Å; T434-L438 HydrophobicContact CG2-CG 4.48Å; T434-L438 WeakPolarHBondContact O-CB 3.16Å; T434-L438 VanDerWaalsContact O-CG 3.26Å; T434-L438 WeakPolarHBondContact O-CG 3.36Å; T434-L438 PolarHBondContact O-N 3.28Å; T434-L438 VanDerWaalsContact O-N 3.1Å |
| 435 | Y | 83 | Confident | 82 | Confident | 47 Ų | 47 | 39.4 Ų | 39.4 | 18% | 0.184 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 175.9 | 176.9 | -95.8 | 0 | 0 | 0 | 112 | R431 I432 S433 L438 H439 V464 | R431-Y435 WeakPolarHBondContact O-CB 3.37Å; R431-Y435 PolarHBondContact O-N 2.83Å; I432-Y435 WeakPolarHBondContact O-CB 3.49Å; I432-Y435 PolarHBondContact O-N 2.72Å; S433-Y435 VanDerWaalsContact C-N 3.29Å; S433-Y435 PolarHBondContact O-N 3.49Å; Y435-L438 PolarHBondContact O-N 3.48Å; Y435-H439 AromaticContact CD2-CE1 3.64Å; Y435-H439 AromaticContact CD2-ND1 3.52Å; Y435-H439 AromaticContact CE2-CE1 3.64Å; Y435-H439 AromaticContact CE2-ND1 3.59Å; Y435-H439 WeakPolarHBondContact O-CB 3.38Å; Y435-H439 PolarHBondContact O-N 2.97Å; Y435-H439 VanDerWaalsContact O-N 3.16Å; Y435-H439 PolarHBondContact O-ND1 3Å; Y435-V464 HydrophobicContact CD2-CG2 3.87Å; Y435-V464 HydrophobicContact CE2-CG2 3.91Å |
| 436 | L | 84.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.2 | -43.7 | 178.7 | -69 | 168.1 | 0 | 0 | 0 | 112 | I432 S433 T434 L438 H439 S440 P446 V524 W528 | I432-L436 HydrophobicContact CG2-CD1 4.05Å; I432-L436 HydrophobicContact CG2-CG 4.49Å; I432-L436 WeakPolarHBondContact O-CG 3.42Å; I432-L436 PolarHBondContact O-N 3.24Å; S433-L436 PolarHBondContact O-N 2.94Å; S433-L436 VanDerWaalsContact O-N 3.1Å; T434-L436 VanDerWaalsContact C-N 3.33Å; T434-L436 PolarHBondContact O-N 3.36Å; L436-L438 PolarHBondContact O-N 3.5Å; L436-H439 PolarHBondContact O-N 3.46Å; L436-S440 WeakPolarHBondContact O-CA 3.19Å; L436-S440 WeakPolarHBondContact O-CB 3.3Å; L436-S440 PolarHBondContact O-N 3.5Å; L436-P446 HydrophobicContact CD2-CG 4.05Å; L436-V524 HydrophobicContact CD1-CG1 3.76Å; L436-W528 HydrophobicContact CB-CD2 3.64Å; L436-W528 HydrophobicContact CB-CE3 3.69Å; L436-W528 HydrophobicContact CB-CG 4.27Å; L436-W528 HydrophobicContact CB-CH2 4.02Å; L436-W528 HydrophobicContact CB-CZ2 3.96Å; L436-W528 HydrophobicContact CB-CZ3 3.87Å; L436-W528 HydrophobicContact CD1-CB 3.83Å; L436-W528 HydrophobicContact CD1-CD2 3.92Å; L436-W528 HydrophobicContact CD1-CE3 4.12Å; L436-W528 HydrophobicContact CD1-CG 3.76Å; L436-W528 HydrophobicContact CD2-CG 4.35Å; L436-W528 HydrophobicContact CG-CD2 4.23Å; L436-W528 HydrophobicContact CG-CG 4.35Å; L436-W528 WeakPolarHBondContact O-CZ2 3.28Å |
| 437 | H | 79.7 | Confident | 79.1 | Confident | 65 Ų | 65 | 48.5 Ų | 48.5 | 30% | 0.301 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.8 | -29 | 174.6 | -78.9 | -61.3 | 0 | 0 | 0 | 113.4 | T126 S433 T434 W528 D533 | T126-H437 WeakPolarHBondContact CG2-CE1 3.15Å; S433-H437 PolarHBondContact O-CD2 2.89Å; S433-H437 VanDerWaalsContact O-CD2 3.28Å; S433-H437 PolarHBondContact O-N 3.5Å; S433-H437 PolarHBondContact OG-CD2 3.21Å; T434-H437 PolarHBondContact O-N 2.85Å; H437-W528 HydrophobicContact CB-CH2 4.34Å; H437-W528 AromaticContact CD2-CZ3 4Å; H437-W528 AromaticContact CE1-CH2 3.87Å; H437-W528 AromaticContact CE1-CZ3 3.48Å; H437-W528 VanDerWaalsContact CE1-CZ3 3.48Å; H437-W528 WeakPolarHBondContact CE1-CZ3 3.23Å; H437-W528 AromaticContact CG-CH2 3.85Å; H437-W528 AromaticContact CG-CZ3 3.81Å; H437-W528 AromaticContact ND1-CH2 3.43Å; H437-W528 WeakPolarHBondContact ND1-CH2 3.37Å; H437-W528 AromaticContact ND1-CZ3 3.5Å; H437-W528 WeakPolarHBondContact ND1-CZ3 3.44Å; H437-W528 AromaticContact NE2-CZ3 3.81Å; H437-D533 IonicContact CE1-OD1 3.34Å; H437-D533 IonicContact NE2-OD1 3.59Å; H437-D533 PolarHBondContact NE2-OD1 3.04Å |
| 438 | L | 77.8 | Confident | 77.8 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -87.4 | -25.1 | 179.6 | -70.8 | 173.6 | 0 | 0 | 0 | 114.5 | P149 L151 T434 Y435 L436 | P149-L438 HydrophobicContact CG-CD2 4.11Å; L151-L438 HydrophobicContact CB-CD1 4.3Å; L151-L438 HydrophobicContact CD1-CD1 3.89Å; L151-L438 HydrophobicContact CG-CD1 4.49Å; T434-L438 HydrophobicContact CG2-CD1 3.98Å; T434-L438 HydrophobicContact CG2-CG 4.48Å; T434-L438 WeakPolarHBondContact O-CB 3.16Å; T434-L438 VanDerWaalsContact O-CG 3.26Å; T434-L438 WeakPolarHBondContact O-CG 3.36Å; T434-L438 PolarHBondContact O-N 3.28Å; T434-L438 VanDerWaalsContact O-N 3.1Å; Y435-L438 PolarHBondContact O-N 3.48Å; L436-L438 PolarHBondContact O-N 3.5Å |
| 439 | H | 79.2 | Confident | 76 | Confident | 89 Ų | 89 | 54.9 Ų | 54.9 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -122.6 | -2.1 | -168.9 | -60.9 | 86.3 | 0 | 0 | 0 | 113.9 | Y435 L436 | Y435-H439 AromaticContact CD2-CE1 3.64Å; Y435-H439 AromaticContact CD2-ND1 3.52Å; Y435-H439 AromaticContact CE2-CE1 3.64Å; Y435-H439 AromaticContact CE2-ND1 3.59Å; Y435-H439 WeakPolarHBondContact O-CB 3.38Å; Y435-H439 PolarHBondContact O-N 2.97Å; Y435-H439 VanDerWaalsContact O-N 3.16Å; Y435-H439 PolarHBondContact O-ND1 3Å; L436-H439 PolarHBondContact O-N 3.46Å |
| 440 | S | 76.5 | Confident | 74.1 | Confident | 23 Ų | 23 | 65 Ų | 65 | 16% | 0.161 | 34% | 0.339 | C | S | . | . | trans | -149.2 | 155.7 | -173.6 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | L436 E444 P446 W528 | L436-S440 WeakPolarHBondContact O-CA 3.19Å; L436-S440 WeakPolarHBondContact O-CB 3.3Å; L436-S440 PolarHBondContact O-N 3.5Å; S440-E444 WeakPolarHBondContact CB-O 3.12Å; S440-P446 WeakPolarHBondContact OG-CB 3.33Å; S440-P446 WeakPolarHBondContact OG-CD 3.22Å; S440-P446 WeakPolarHBondContact OG-CG 3.49Å; S440-W528 WeakPolarHBondContact O-CZ2 3.47Å | ||
| 441 | I | 78.1 | Confident | 72.7 | Confident | 115 Ų | 115 | 65.6 Ų | 65.6 | 59% | 0.59 | 35% | 0.349 | S | S | * | . | trans | -89.3 | 138.8 | 172.1 | -57.4 | 170.7 | 0 | 0 | 0 | 107.2 | G443 E444 W528 | I441-G443 PolarHBondContact O-N 2.93Å; I441-E444 PolarHBondContact O-N 3.3Å; I441-E444 VanDerWaalsContact O-O 3.04Å; I441-W528 PolarHBondContact O-NE1 3.08Å | ||
| 442 | P | 78.1 | Confident | 71.3 | Confident | 53 Ų | 53 | 68 Ų | 68 | 34% | 0.344 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 129 | 174.2 | -28.6 | 35.2 | 0 | 0 | 0 | 111.9 | W528 | P442-W528 HydrophobicContact CB-CZ2 4.44Å; P442-W528 HydrophobicContact CG-CH2 3.95Å; P442-W528 HydrophobicContact CG-CZ2 4.05Å |
| 443 | G | 76.5 | Confident | 70.5 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 37% | 0.371 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -20.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | I441 W528 | I441-G443 PolarHBondContact O-N 2.93Å; G443-W528 WeakPolarHBondContact CA-O 3.35Å; G443-W528 PolarHBondContact N-O 3.31Å |
| 444 | E | 73.6 | Confident | 69.7 | Low | 132 Ų | 132 | 76.9 Ų | 76.9 | 62% | 0.617 | 41% | 0.408 | S | S | * | . | trans | -106.6 | 128.8 | 173.8 | -64.3 | -171.5 | 169.7 | 0 | 0 | 109.8 | S440 I441 W528 | S440-E444 WeakPolarHBondContact CB-O 3.12Å; I441-E444 PolarHBondContact O-N 3.3Å; I441-E444 VanDerWaalsContact O-O 3.04Å; E444-W528 PolarHBondContact O-NE1 3.15Å | ||
| 445 | L | 68.3 | Low | 69.4 | Low | 63 Ų | 63 | 76.7 Ų | 76.7 | 33% | 0.33 | 41% | 0.407 | S | S | . | . | trans | -86.3 | 142.9 | 174.1 | -79.1 | 153.5 | 0 | 0 | 0 | 108.6 | H525 R529 | L445-H525 HydrophobicContact CD2-CB 4.1Å; L445-R529 HydrophobicContact CD1-CB 4.18Å; L445-R529 HydrophobicContact CD1-CG 4.27Å | ||
| 446 | P | 64.6 | Low | 69 | Low | 26 Ų | 26 | 81.4 Ų | 81.4 | 17% | 0.169 | 43% | 0.429 | C | S | . | . | trans | -59.1 | 155.2 | 173.7 | 19.8 | -22 | 0 | 0 | 0 | 109.7 | L436 S440 E448 | L436-P446 HydrophobicContact CD2-CG 4.05Å; S440-P446 WeakPolarHBondContact OG-CB 3.33Å; S440-P446 WeakPolarHBondContact OG-CD 3.22Å; S440-P446 WeakPolarHBondContact OG-CG 3.49Å; P446-E448 PolarHBondContact O-N 2.89Å | ||
| 447 | D | 58 | Low | 68.7 | Low | 171 Ų | 171 | 83.1 Ų | 83.1 | 91% | 0.914 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -60.1 | 15.6 | -177.6 | -76.9 | -40.8 | 0 | 0 | 0 | 115.5 | ||
| 448 | E | 56.9 | Low | 68.6 | Low | 75 Ų | 75 | 80.1 Ų | 80.1 | 35% | 0.35 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -58.9 | 146.9 | 164.3 | -76.8 | -152.6 | -176.9 | 0 | 0 | 111.5 | P446 K450 R457 | P446-E448 PolarHBondContact O-N 2.89Å; E448-K450 PolarHBondContact O-N 3.42Å; E448-R457 IonicContact OE2-NH2 2.85Å; E448-R457 PolarHBondContact OE2-NH2 2.73Å |
| 449 | P | 51.2 | Low | 68.9 | Low | 93 Ų | 93 | 78.4 Ų | 78.4 | 60% | 0.604 | 41% | 0.412 | S | S | * | . | trans | -56.4 | 120.4 | -169.1 | 19.5 | -30.7 | 0 | 0 | 0 | 110.7 | G451 R457 | P449-G451 PolarHBondContact O-N 3.24Å; P449-R457 PolarHBondContact O-NH1 2.94Å; P449-R457 PolarHBondContact O-NH2 3.02Å | ||
| 450 | K | 50.8 | Low | 69 | Low | 215 Ų | 215 | 81.3 Ų | 81.3 | 94% | 0.935 | 42% | 0.424 | S | S | * | . | trans | -59 | 61.7 | 171.6 | -65.7 | 177.9 | 178.3 | 174.2 | 0 | 111.4 | E448 | E448-K450 PolarHBondContact O-N 3.42Š| ||
| 451 | G | 53.9 | Low | 69 | Low | 35 Ų | 35 | 80.8 Ų | 80.8 | 36% | 0.361 | 42% | 0.422 | S | S | . | . | trans | -125.3 | 157.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P449 Y453 R457 | P449-G451 PolarHBondContact O-N 3.24Å; G451-Y453 PolarHBondContact O-N 3.06Å; G451-R457 PolarHBondContact O-NH1 3.46Å | ||
| 452 | C | 55.5 | Low | 68.8 | Low | 106 Ų | 106 | 81.2 Ų | 81.2 | 72% | 0.716 | 43% | 0.432 | S | S | * | . | trans | -53.4 | 137.8 | 178.9 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | Y454 | C452-Y454 HydrophobicContact CB-CD1 4.4Å; C452-Y454 WeakPolarHBondContact O-CD1 3.24Å; C452-Y454 WeakPolarHBondContact O-CE1 3.37Å; C452-Y454 PolarHBondContact O-N 3.48Å; C452-Y454 VanDerWaalsContact O-N 3.15Å | ||
| 453 | Y | 68 | Low | 68.8 | Low | 57 Ų | 57 | 79.4 Ų | 79.4 | 22% | 0.224 | 42% | 0.423 | C | S | . | . | trans | -80.8 | 88.5 | 173.1 | -61.7 | -88.4 | 0 | 0 | 0 | 109.1 | G451 W518 H525 | G451-Y453 PolarHBondContact O-N 3.06Å; Y453-W518 PolarHBondContact O-NE1 3.46Å; Y453-W518 VanDerWaalsContact O-NE1 3.15Å; Y453-H525 HydrophobicContact CE1-CB 4.13Å; Y453-H525 AromaticContact CE1-CE1 3.97Å; Y453-H525 AromaticContact CE1-CG 3.74Å; Y453-H525 AromaticContact CE1-ND1 3.61Å; Y453-H525 HydrophobicContact CE2-CB 4.16Å; Y453-H525 AromaticContact CZ-CG 3.67Å; Y453-H525 WeakPolarHBondContact OH-CB 3.33Å; Y453-H525 PolarHBondContact OH-CD2 3.39Å | ||
| 454 | Y | 69 | Low | 69 | Low | 129 Ų | 129 | 80.6 Ų | 80.6 | 51% | 0.506 | 42% | 0.423 | S | S | . | . | trans | -101.5 | 152.5 | 174 | 54.6 | -92.6 | 0 | 0 | 0 | 110.5 | C452 F456 R457 T458 | C452-Y454 HydrophobicContact CB-CD1 4.4Å; C452-Y454 WeakPolarHBondContact O-CD1 3.24Å; C452-Y454 WeakPolarHBondContact O-CE1 3.37Å; C452-Y454 PolarHBondContact O-N 3.48Å; C452-Y454 VanDerWaalsContact O-N 3.15Å; Y454-F456 HydrophobicContact CD2-CB 3.8Å; Y454-F456 HydrophobicContact CE2-CB 3.84Å; Y454-F456 PolarHBondContact O-N 2.9Å; Y454-F456 VanDerWaalsContact O-N 3.07Å; Y454-R457 HydrophobicContact CD2-CB 4.21Å; Y454-R457 HydrophobicContact CE1-CB 4.42Å; Y454-R457 HydrophobicContact CE2-CB 3.91Å; Y454-R457 WeakPolarHBondContact O-CB 3.47Å; Y454-R457 PolarHBondContact O-N 3.22Å; Y454-T458 PolarHBondContact O-N 3.24Å | ||
| 455 | P | 75.3 | Confident | 69.5 | Low | 35 Ų | 35 | 75 Ų | 75 | 23% | 0.227 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -53.1 | -38.2 | -171.1 | -26.5 | 31.3 | 0 | 0 | 0 | 114.2 | R457 T458 F459 F514 W518 | P455-R457 VanDerWaalsContact C-N 3.28Å; P455-R457 PolarHBondContact O-N 3.38Å; P455-T458 PolarHBondContact O-N 3.48Å; P455-T458 VanDerWaalsContact O-N 3.16Å; P455-F459 VanDerWaalsContact O-CD2 3.28Å; P455-F459 WeakPolarHBondContact O-CD2 3.34Å; P455-F459 PolarHBondContact O-N 3.11Å; P455-F514 HydrophobicContact CB-CE1 4.31Å; P455-F514 HydrophobicContact CB-CZ 3.89Å; P455-W518 HydrophobicContact CB-CG 4.31Å; P455-W518 HydrophobicContact CG-CD2 3.74Å; P455-W518 HydrophobicContact CG-CE3 4.25Å; P455-W518 HydrophobicContact CG-CG 3.98Å; P455-W518 HydrophobicContact CG-CZ2 4.11Å |
| 456 | F | 73.7 | Confident | 70.4 | Confident | 146 Ų | 146 | 72.7 Ų | 72.7 | 64% | 0.64 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.6 | -33.2 | 178.7 | -74.7 | -85.5 | 0 | 0 | 0 | 113.1 | Y454 F460 | Y454-F456 HydrophobicContact CD2-CB 3.8Å; Y454-F456 HydrophobicContact CE2-CB 3.84Å; Y454-F456 PolarHBondContact O-N 2.9Å; Y454-F456 VanDerWaalsContact O-N 3.07Å; F456-F460 HydrophobicContact CB-CD2 4.28Å; F456-F460 AromaticContact CD1-CD2 3.63Å; F456-F460 HydrophobicContact CD1-CD2 3.63Å; F456-F460 AromaticContact CD1-CE2 3.55Å; F456-F460 HydrophobicContact CD1-CE2 3.55Å; F456-F460 HydrophobicContact CE1-CD2 4.46Å; F456-F460 AromaticContact CE1-CE2 3.95Å; F456-F460 HydrophobicContact CE1-CE2 3.95Å; F456-F460 HydrophobicContact CG-CD2 4.38Å; F456-F460 WeakPolarHBondContact O-CA 3.29Å; F456-F460 VanDerWaalsContact O-CB 3.25Å; F456-F460 WeakPolarHBondContact O-CB 3.45Å; F456-F460 WeakPolarHBondContact O-CD2 3.41Å; F456-F460 PolarHBondContact O-N 3.24Å |
| 457 | R | 77.7 | Confident | 71.4 | Confident | 36 Ų | 36 | 76.2 Ų | 76.2 | 14% | 0.136 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.8 | -44.8 | 174.5 | -176.6 | -179.2 | 173.1 | 176.9 | -0.5 | 110.3 | E448 P449 G451 Y454 P455 F459 G461 N466 | E448-R457 IonicContact OE2-NH2 2.85Å; E448-R457 PolarHBondContact OE2-NH2 2.73Å; P449-R457 PolarHBondContact O-NH1 2.94Å; P449-R457 PolarHBondContact O-NH2 3.02Å; G451-R457 PolarHBondContact O-NH1 3.46Å; Y454-R457 HydrophobicContact CD2-CB 4.21Å; Y454-R457 HydrophobicContact CE1-CB 4.42Å; Y454-R457 HydrophobicContact CE2-CB 3.91Å; Y454-R457 WeakPolarHBondContact O-CB 3.47Å; Y454-R457 PolarHBondContact O-N 3.22Å; P455-R457 VanDerWaalsContact C-N 3.28Å; P455-R457 PolarHBondContact O-N 3.38Å; R457-F459 VanDerWaalsContact C-N 3.34Å; R457-F459 PolarHBondContact O-N 3.29Å; R457-G461 WeakPolarHBondContact O-CA 3.41Å; R457-G461 PolarHBondContact O-N 2.71Å; R457-N466 PolarHBondContact O-ND2 2.72Å |
| 458 | T | 78.7 | Confident | 72.7 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.2 | -44.5 | -178.8 | -51.4 | 0 | 0 | 0 | 0 | 111.6 | Y454 P455 N466 A469 D521 | Y454-T458 PolarHBondContact O-N 3.24Å; P455-T458 PolarHBondContact O-N 3.48Å; P455-T458 VanDerWaalsContact O-N 3.16Å; T458-N466 WeakPolarHBondContact O-CA 3.07Å; T458-N466 WeakPolarHBondContact O-CB 3.37Å; T458-N466 PolarHBondContact O-ND2 3.44Å; T458-A469 HydrophobicContact CG2-CB 4.36Å; T458-D521 HydrophobicContact CG2-CB 3.69Å; T458-D521 PolarHBondContact OG1-OD2 3.49Å |
| 459 | F | 83.8 | Confident | 74.3 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 4% | 0.044 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -95.3 | -19.6 | -175.3 | -65.9 | -73.2 | 0 | 0 | 0 | 115.6 | P455 R457 A469 Q470 L473 F514 L517 W518 | P455-F459 VanDerWaalsContact O-CD2 3.28Å; P455-F459 WeakPolarHBondContact O-CD2 3.34Å; P455-F459 PolarHBondContact O-N 3.11Å; R457-F459 VanDerWaalsContact C-N 3.34Å; R457-F459 PolarHBondContact O-N 3.29Å; F459-A469 HydrophobicContact CD1-CB 4.23Å; F459-A469 HydrophobicContact CE1-CB 4.2Å; F459-Q470 WeakPolarHBondContact O-CG 3.45Å; F459-Q470 PolarHBondContact O-NE2 3.31Å; F459-L473 HydrophobicContact CD1-CD2 3.99Å; F459-L473 HydrophobicContact CE1-CB 4.35Å; F459-L473 HydrophobicContact CE1-CD2 3.84Å; F459-F514 AromaticContact CD2-CD2 3.92Å; F459-F514 HydrophobicContact CD2-CD2 3.92Å; F459-F514 AromaticContact CD2-CE2 3.38Å; F459-F514 HydrophobicContact CD2-CE2 3.38Å; F459-F514 AromaticContact CD2-CZ 3.98Å; F459-F514 HydrophobicContact CD2-CZ 3.98Å; F459-F514 HydrophobicContact CE1-CD2 4.26Å; F459-F514 HydrophobicContact CE2-CD1 4.44Å; F459-F514 AromaticContact CE2-CD2 3.36Å; F459-F514 HydrophobicContact CE2-CD2 3.36Å; F459-F514 HydrophobicContact CE2-CE1 4.32Å; F459-F514 AromaticContact CE2-CE2 3.22Å; F459-F514 HydrophobicContact CE2-CE2 3.22Å; F459-F514 HydrophobicContact CE2-CG 4Å; F459-F514 AromaticContact CE2-CZ 3.74Å; F459-F514 HydrophobicContact CE2-CZ 3.74Å; F459-F514 HydrophobicContact CG-CE2 4.2Å; F459-F514 AromaticContact CZ-CD2 3.55Å; F459-F514 HydrophobicContact CZ-CD2 3.55Å; F459-F514 AromaticContact CZ-CE2 3.91Å; F459-F514 HydrophobicContact CZ-CE2 3.91Å; F459-F514 HydrophobicContact CZ-CG 4.09Å; F459-F514 WeakPolarHBondContact CZ-O 3.34Å; F459-L517 HydrophobicContact CE1-CB 4.08Å; F459-L517 HydrophobicContact CE1-CD1 3.9Å; F459-L517 HydrophobicContact CZ-CB 3.8Å; F459-L517 HydrophobicContact CZ-CD1 4.31Å; F459-W518 HydrophobicContact CE2-CB 4.37Å |
| 460 | F | 80.5 | Confident | 76.3 | Confident | 151 Ų | 151 | 63.9 Ų | 63.9 | 66% | 0.662 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -117.8 | 6.2 | -178.8 | -59 | -88 | 0 | 0 | 0 | 113.6 | F456 | F456-F460 HydrophobicContact CB-CD2 4.28Å; F456-F460 AromaticContact CD1-CD2 3.63Å; F456-F460 HydrophobicContact CD1-CD2 3.63Å; F456-F460 AromaticContact CD1-CE2 3.55Å; F456-F460 HydrophobicContact CD1-CE2 3.55Å; F456-F460 HydrophobicContact CE1-CD2 4.46Å; F456-F460 AromaticContact CE1-CE2 3.95Å; F456-F460 HydrophobicContact CE1-CE2 3.95Å; F456-F460 HydrophobicContact CG-CD2 4.38Å; F456-F460 WeakPolarHBondContact O-CA 3.29Å; F456-F460 VanDerWaalsContact O-CB 3.25Å; F456-F460 WeakPolarHBondContact O-CB 3.45Å; F456-F460 WeakPolarHBondContact O-CD2 3.41Å; F456-F460 PolarHBondContact O-N 3.24Å |
| 461 | G | 75.8 | Confident | 78.1 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | trans | -68.2 | 155.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R457 G463 N466 | R457-G461 WeakPolarHBondContact O-CA 3.41Å; R457-G461 PolarHBondContact O-N 2.71Å; G461-G463 VanDerWaalsContact C-N 3.31Å; G461-N466 VanDerWaalsContact CA-CG 3.48Å; G461-N466 WeakPolarHBondContact CA-OD1 3.42Å; G461-N466 WeakPolarHBondContact O-CB 3.12Å | ||
| 462 | P | 75 | Confident | 79.9 | Confident | 124 Ų | 124 | 52.4 Ų | 52.4 | 81% | 0.805 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -81 | -9.4 | 179.5 | 32.5 | -35.3 | 0 | 0 | 0 | 113.8 | ||
| 463 | G | 78.7 | Confident | 81.7 | Confident | 15 Ų | 15 | 49.3 Ų | 49.3 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -70.1 | 162.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | G461 N465 N466 K467 | G461-G463 VanDerWaalsContact C-N 3.31Å; G463-N465 VanDerWaalsContact C-N 3.26Å; G463-N465 PolarHBondContact O-N 3.47Å; G463-N466 WeakPolarHBondContact CA-OD1 3.41Å; G463-N466 PolarHBondContact N-OD1 3.12Å; G463-N466 PolarHBondContact O-N 3.15Å; G463-K467 PolarHBondContact O-N 3.18Å; G463-K467 VanDerWaalsContact O-N 3.08Å |
| 464 | V | 80 | Confident | 82.9 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.7 | -38 | 177.4 | -66.6 | 0 | 0 | 0 | 0 | 111.7 | Y435 K467 S468 | Y435-V464 HydrophobicContact CD2-CG2 3.87Å; Y435-V464 HydrophobicContact CE2-CG2 3.91Å; V464-K467 PolarHBondContact O-N 2.93Å; V464-S468 PolarHBondContact O-N 3.06Å |
| 465 | N | 84.5 | Confident | 84 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.3 | -34.1 | 178.5 | -63.8 | -25.3 | 0 | 0 | 0 | 112.1 | Q428 I432 G463 S468 A469 | Q428-N465 PolarHBondContact NE2-O 2.88Å; I432-N465 HydrophobicContact CG1-CB 4.09Å; G463-N465 VanDerWaalsContact C-N 3.26Å; G463-N465 PolarHBondContact O-N 3.47Å; N465-S468 WeakPolarHBondContact O-CB 3.15Å; N465-S468 PolarHBondContact O-N 3.4Å; N465-A469 PolarHBondContact O-N 3.46Å |
| 466 | N | 86.1 | Confident | 85 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 8% | 0.075 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.9 | -43.2 | 175.7 | -53.5 | 115.7 | 0 | 0 | 0 | 111.5 | R457 T458 G461 G463 S468 A469 Q470 | R457-N466 PolarHBondContact O-ND2 2.72Å; T458-N466 WeakPolarHBondContact O-CA 3.07Å; T458-N466 WeakPolarHBondContact O-CB 3.37Å; T458-N466 PolarHBondContact O-ND2 3.44Å; G461-N466 VanDerWaalsContact CA-CG 3.48Å; G461-N466 WeakPolarHBondContact CA-OD1 3.42Å; G461-N466 WeakPolarHBondContact O-CB 3.12Å; G463-N466 WeakPolarHBondContact CA-OD1 3.41Å; G463-N466 PolarHBondContact N-OD1 3.12Å; G463-N466 PolarHBondContact O-N 3.15Å; N466-S468 VanDerWaalsContact C-N 3.28Å; N466-S468 PolarHBondContact O-N 3.37Å; N466-A469 PolarHBondContact O-N 2.75Å; N466-Q470 WeakPolarHBondContact O-CG 3.08Å; N466-Q470 PolarHBondContact O-N 3.11Å |
| 467 | K | 85.8 | Confident | 86 | Confident | 101 Ų | 101 | 42.4 Ų | 42.4 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 174 | -70 | -177.7 | -179.1 | -177.9 | 0 | 111.7 | G463 V464 Q470 V471 | G463-K467 PolarHBondContact O-N 3.18Å; G463-K467 VanDerWaalsContact O-N 3.08Å; V464-K467 PolarHBondContact O-N 2.93Å; K467-Q470 PolarHBondContact O-N 2.87Å; K467-V471 WeakPolarHBondContact O-CG2 3.38Å; K467-V471 PolarHBondContact O-N 3.36Å |
| 468 | S | 86.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.8 | -51.1 | 173.1 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | Q428 R431 V464 N465 N466 Q470 V471 L472 | Q428-S468 VanDerWaalsContact OE1-CB 3.23Å; Q428-S468 PolarHBondContact OE1-OG 3.05Å; R431-S468 WeakPolarHBondContact CD-OG 3.14Å; V464-S468 PolarHBondContact O-N 3.06Å; N465-S468 WeakPolarHBondContact O-CB 3.15Å; N465-S468 PolarHBondContact O-N 3.4Å; N466-S468 VanDerWaalsContact C-N 3.28Å; N466-S468 PolarHBondContact O-N 3.37Å; S468-Q470 VanDerWaalsContact C-N 3.3Å; S468-Q470 PolarHBondContact O-N 3.38Å; S468-V471 PolarHBondContact O-N 3.09Å; S468-V471 VanDerWaalsContact O-N 3.15Å; S468-L472 VanDerWaalsContact O-CG 3.31Å; S468-L472 WeakPolarHBondContact O-CG 3.3Å; S468-L472 PolarHBondContact O-N 3.48Å |
| 469 | A | 90.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.4 | -40.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T458 F459 N465 N466 L473 | T458-A469 HydrophobicContact CG2-CB 4.36Å; F459-A469 HydrophobicContact CD1-CB 4.23Å; F459-A469 HydrophobicContact CE1-CB 4.2Å; N465-A469 PolarHBondContact O-N 3.46Å; N466-A469 PolarHBondContact O-N 2.75Å; A469-L473 WeakPolarHBondContact O-CB 3.45Å; A469-L473 PolarHBondContact O-N 3.03Å |
| 470 | Q | 91.6 | Very high | 88.2 | Confident | 79 Ų | 79 | 43.1 Ų | 43.1 | 37% | 0.369 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62 | -45.3 | 175.7 | -70.8 | 169.6 | 0.6 | 0 | 0 | 112.5 | F459 N466 K467 S468 L473 L474 | F459-Q470 WeakPolarHBondContact O-CG 3.45Å; F459-Q470 PolarHBondContact O-NE2 3.31Å; N466-Q470 WeakPolarHBondContact O-CG 3.08Å; N466-Q470 PolarHBondContact O-N 3.11Å; K467-Q470 PolarHBondContact O-N 2.87Å; S468-Q470 VanDerWaalsContact C-N 3.3Å; S468-Q470 PolarHBondContact O-N 3.38Å; Q470-L473 PolarHBondContact O-N 3.2Å; Q470-L474 WeakPolarHBondContact O-CB 3.47Å; Q470-L474 PolarHBondContact O-N 2.82Å |
| 471 | V | 89.3 | Confident | 89 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.7 | -43.3 | 179.8 | 168 | 0 | 0 | 0 | 0 | 111.1 | S156 M159 A160 K467 S468 L473 L474 L475 | S156-V471 WeakPolarHBondContact OG-CG2 3.39Å; M159-V471 HydrophobicContact CE-CB 3.64Å; M159-V471 HydrophobicContact CE-CG1 4.14Å; M159-V471 HydrophobicContact CE-CG2 3.43Å; M159-V471 VanDerWaalsContact CE-CG2 3.43Å; A160-V471 HydrophobicContact CB-CG1 3.71Å; K467-V471 WeakPolarHBondContact O-CG2 3.38Å; K467-V471 PolarHBondContact O-N 3.36Å; S468-V471 PolarHBondContact O-N 3.09Å; S468-V471 VanDerWaalsContact O-N 3.15Å; V471-L473 VanDerWaalsContact C-N 3.33Å; V471-L473 PolarHBondContact O-N 2.76Å; V471-L474 PolarHBondContact O-N 3.42Å; V471-L475 HydrophobicContact CG1-CD1 4.25Å; V471-L475 WeakPolarHBondContact O-CG 3.47Å; V471-L475 PolarHBondContact O-N 3.26Å |
| 472 | L | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 177.1 | -65.8 | 170.4 | 0 | 0 | 0 | 111.4 | I163 L424 I427 Q428 S468 L475 V476 L517 | I163-L472 HydrophobicContact CD1-CD2 4.08Å; I163-L472 HydrophobicContact CG2-CD2 4.24Å; L424-L472 HydrophobicContact CD2-CB 4.39Å; L424-L472 HydrophobicContact CD2-CD2 3.6Å; I427-L472 HydrophobicContact CB-CD2 4.48Å; I427-L472 HydrophobicContact CG2-CD1 4.49Å; I427-L472 HydrophobicContact CG2-CD2 4.15Å; Q428-L472 HydrophobicContact CB-CD1 3.68Å; Q428-L472 HydrophobicContact CG-CD1 4.41Å; S468-L472 VanDerWaalsContact O-CG 3.31Å; S468-L472 WeakPolarHBondContact O-CG 3.3Å; S468-L472 PolarHBondContact O-N 3.48Å; L472-L475 PolarHBondContact O-N 3.01Å; L472-V476 WeakPolarHBondContact O-CG2 3.37Å; L472-L517 HydrophobicContact CB-CD1 4.16Å; L472-L517 HydrophobicContact CB-CD2 4.39Å; L472-L517 HydrophobicContact CD1-CD2 3.95Å |
| 473 | L | 93.7 | Very high | 90.8 | Very high | 41 Ų | 41 | 36.3 Ų | 36.3 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -38.6 | 175.8 | -172.1 | 65.5 | 0 | 0 | 0 | 112.3 | F459 A469 Q470 V471 L475 V476 V510 V513 F514 L517 | F459-L473 HydrophobicContact CD1-CD2 3.99Å; F459-L473 HydrophobicContact CE1-CB 4.35Å; F459-L473 HydrophobicContact CE1-CD2 3.84Å; A469-L473 WeakPolarHBondContact O-CB 3.45Å; A469-L473 PolarHBondContact O-N 3.03Å; Q470-L473 PolarHBondContact O-N 3.2Å; V471-L473 VanDerWaalsContact C-N 3.33Å; V471-L473 PolarHBondContact O-N 2.76Å; L473-L475 VanDerWaalsContact C-N 3.3Å; L473-L475 PolarHBondContact O-N 3.17Å; L473-V476 WeakPolarHBondContact O-CB 3.37Å; L473-V476 WeakPolarHBondContact O-CG2 3.3Å; L473-V476 PolarHBondContact O-N 3.06Å; L473-V510 HydrophobicContact CD1-CG1 4.3Å; L473-V513 HydrophobicContact CD1-CG1 4.31Å; L473-F514 HydrophobicContact CD1-CB 4.24Å; L473-F514 HydrophobicContact CD2-CD2 4.24Å; L473-L517 HydrophobicContact CB-CD1 4.22Å |
| 474 | L | 93 | Very high | 91.5 | Very high | 124 Ų | 124 | 35.7 Ų | 35.7 | 65% | 0.649 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -66 | -31.9 | 178.3 | -175.7 | 147.1 | 0 | 0 | 0 | 112.5 | Q470 V471 V476 P478 | Q470-L474 WeakPolarHBondContact O-CB 3.47Å; Q470-L474 PolarHBondContact O-N 2.82Å; V471-L474 PolarHBondContact O-N 3.42Å; L474-V476 VanDerWaalsContact C-N 3.27Å; L474-V476 PolarHBondContact O-N 2.83Å; L474-P478 WeakPolarHBondContact O-CD 3.3Å; L474-P478 WeakPolarHBondContact O-CG 3.47Å |
| 475 | L | 92.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.1 | -19.8 | 178.1 | -72.2 | 171.9 | 0 | 0 | 0 | 113.5 | I163 L164 F167 V471 L472 L473 P478 G479 | I163-L475 HydrophobicContact CB-CD1 4.28Å; I163-L475 HydrophobicContact CG2-CD1 3.72Å; L164-L475 HydrophobicContact CD1-CD2 3.93Å; F167-L475 HydrophobicContact CZ-CB 4.5Å; V471-L475 HydrophobicContact CG1-CD1 4.25Å; V471-L475 WeakPolarHBondContact O-CG 3.47Å; V471-L475 PolarHBondContact O-N 3.26Å; L472-L475 PolarHBondContact O-N 3.01Å; L473-L475 VanDerWaalsContact C-N 3.3Å; L473-L475 PolarHBondContact O-N 3.17Å; L475-P478 WeakPolarHBondContact O-CD 3.41Å; L475-G479 PolarHBondContact O-N 3.31Å |
| 476 | V | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.9 | -56.9 | -176.5 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | L424 L472 L473 L474 G479 H480 A509 V510 V513 | L424-V476 HydrophobicContact CD1-CG2 3.86Å; L472-V476 WeakPolarHBondContact O-CG2 3.37Å; L473-V476 WeakPolarHBondContact O-CB 3.37Å; L473-V476 WeakPolarHBondContact O-CG2 3.3Å; L473-V476 PolarHBondContact O-N 3.06Å; L474-V476 VanDerWaalsContact C-N 3.27Å; L474-V476 PolarHBondContact O-N 2.83Å; V476-G479 PolarHBondContact O-N 2.79Å; V476-H480 WeakPolarHBondContact O-CB 3.49Å; V476-H480 PolarHBondContact O-CD2 3.03Å; V476-H480 PolarHBondContact O-N 2.93Å; V476-A509 HydrophobicContact CG1-CB 4.19Å; V476-V510 HydrophobicContact CB-CG2 4.46Å; V476-V510 HydrophobicContact CG1-CG2 3.88Å; V476-V513 HydrophobicContact CG1-CG2 4.44Å; V476-V513 HydrophobicContact CG2-CB 3.86Å; V476-V513 HydrophobicContact CG2-CG1 3.66Å; V476-V513 HydrophobicContact CG2-CG2 3.87Å |
| 477 | I | 96.1 | Very high | 92.7 | Very high | 86 Ų | 86 | 39.4 Ų | 39.4 | 44% | 0.441 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.1 | -57.1 | -175.7 | -63.1 | 175 | 0 | 0 | 0 | 112.6 | G479 L481 L506 V510 | I477-G479 VanDerWaalsContact C-N 3.31Å; I477-G479 PolarHBondContact O-N 3.45Å; I477-L481 HydrophobicContact CG2-CD1 3.99Å; I477-L481 WeakPolarHBondContact O-CB 3.38Å; I477-L481 VanDerWaalsContact O-CG 3.31Å; I477-L481 WeakPolarHBondContact O-CG 3.49Å; I477-L481 PolarHBondContact O-N 3.21Å; I477-L506 HydrophobicContact CG2-CD1 4.47Å; I477-V510 HydrophobicContact CD1-CG2 4.37Å; I477-V510 HydrophobicContact CG1-CG2 3.85Å |
| 478 | P | 95.4 | Very high | 92.8 | Very high | 60 Ų | 60 | 39.3 Ų | 39.3 | 39% | 0.39 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64 | -36.4 | -179.6 | 25.2 | -33.6 | 0 | 0 | 0 | 112.2 | L474 L475 I482 | L474-P478 WeakPolarHBondContact O-CD 3.3Å; L474-P478 WeakPolarHBondContact O-CG 3.47Å; L475-P478 WeakPolarHBondContact O-CD 3.41Å; P478-I482 WeakPolarHBondContact O-CD1 3.28Å; P478-I482 VanDerWaalsContact O-CG1 3.31Å; P478-I482 WeakPolarHBondContact O-CG1 3.41Å; P478-I482 PolarHBondContact O-N 2.89Å; P478-I482 VanDerWaalsContact O-N 3.16Å |
| 479 | G | 95 | Very high | 92.9 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -58.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L475 V476 I477 L481 I482 F483 | L475-G479 PolarHBondContact O-N 3.31Å; V476-G479 PolarHBondContact O-N 2.79Å; I477-G479 VanDerWaalsContact C-N 3.31Å; I477-G479 PolarHBondContact O-N 3.45Å; G479-L481 VanDerWaalsContact C-N 3.27Å; G479-L481 PolarHBondContact O-N 3.42Å; G479-I482 WeakPolarHBondContact O-CB 3.09Å; G479-I482 PolarHBondContact O-N 3.33Å; G479-F483 VanDerWaalsContact C-CE2 3.48Å; G479-F483 WeakPolarHBondContact O-CD2 3.24Å; G479-F483 WeakPolarHBondContact O-CE2 3.25Å; G479-F483 VanDerWaalsContact O-CG 3.23Å; G479-F483 WeakPolarHBondContact O-CG 3.18Å; G479-F483 PolarHBondContact O-N 2.84Å |
| 480 | H | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -36 | -180 | -81.6 | -83.9 | 0 | 0 | 0 | 112.5 | I420 V476 I482 F483 L484 Y505 L506 | I420-H480 WeakPolarHBondContact CG2-NE2 3.48Å; V476-H480 WeakPolarHBondContact O-CB 3.49Å; V476-H480 PolarHBondContact O-CD2 3.03Å; V476-H480 PolarHBondContact O-N 2.93Å; H480-I482 PolarHBondContact O-N 3.47Å; H480-F483 PolarHBondContact O-N 3.47Å; H480-L484 WeakPolarHBondContact O-CB 3.42Å; H480-L484 VanDerWaalsContact O-CG 3.24Å; H480-L484 WeakPolarHBondContact O-CG 3.25Å; H480-L484 PolarHBondContact O-N 3.04Å; H480-Y505 HydrophobicContact CB-CE1 4.03Å; H480-Y505 AromaticContact CG-CE1 3.99Å; H480-Y505 AromaticContact ND1-CE1 3.41Å; H480-Y505 WeakPolarHBondContact ND1-CE1 3.3Å; H480-Y505 AromaticContact ND1-CZ 3.63Å; H480-Y505 PolarHBondContact ND1-OH 2.92Å; H480-L506 HydrophobicContact CB-CD2 3.63Å |
| 481 | L | 95.8 | Very high | 92.1 | Very high | 73 Ų | 73 | 54 Ų | 54 | 38% | 0.382 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 173.2 | -77.8 | 172.8 | 0 | 0 | 0 | 112.6 | I477 G479 F483 Y485 I502 L506 | I477-L481 HydrophobicContact CG2-CD1 3.99Å; I477-L481 WeakPolarHBondContact O-CB 3.38Å; I477-L481 VanDerWaalsContact O-CG 3.31Å; I477-L481 WeakPolarHBondContact O-CG 3.49Å; I477-L481 PolarHBondContact O-N 3.21Å; G479-L481 VanDerWaalsContact C-N 3.27Å; G479-L481 PolarHBondContact O-N 3.42Å; L481-F483 VanDerWaalsContact C-N 3.34Å; L481-Y485 WeakPolarHBondContact O-CB 3.49Å; L481-Y485 PolarHBondContact O-N 3.32Å; L481-I502 HydrophobicContact CD2-CG2 3.81Å; L481-L506 HydrophobicContact CD2-CD1 3.88Å; L481-L506 HydrophobicContact CG-CD1 4.11Å; L481-L506 HydrophobicContact CG-CD2 4.44Å |
| 482 | I | 95.1 | Very high | 91.2 | Very high | 71 Ų | 71 | 54.3 Ų | 54.3 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.8 | -68.3 | 164.3 | 0 | 0 | 0 | 110.3 | L168 F172 P478 G479 H480 Y485 T486 | L168-I482 HydrophobicContact CD2-CD1 3.85Å; F172-I482 HydrophobicContact CE1-CG2 4.32Å; F172-I482 HydrophobicContact CZ-CG2 4.08Å; P478-I482 WeakPolarHBondContact O-CD1 3.28Å; P478-I482 VanDerWaalsContact O-CG1 3.31Å; P478-I482 WeakPolarHBondContact O-CG1 3.41Å; P478-I482 PolarHBondContact O-N 2.89Å; P478-I482 VanDerWaalsContact O-N 3.16Å; G479-I482 WeakPolarHBondContact O-CB 3.09Å; G479-I482 PolarHBondContact O-N 3.33Å; H480-I482 PolarHBondContact O-N 3.47Å; I482-Y485 PolarHBondContact O-N 2.89Å; I482-T486 WeakPolarHBondContact O-CB 3.44Å; I482-T486 PolarHBondContact O-N 2.85Å; I482-T486 PolarHBondContact O-OG1 2.76Å |
| 483 | F | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68 | -43.8 | -178.3 | -55.6 | -39.8 | 0 | 0 | 0 | 112.3 | F167 L168 G171 V175 V416 I420 G479 H480 L481 Y485 T486 I487 | F167-F483 HydrophobicContact CD1-CZ 4.5Å; F167-F483 HydrophobicContact CE1-CE2 4.02Å; F167-F483 HydrophobicContact CE1-CZ 4.05Å; F167-F483 AromaticContact CZ-CE2 3.96Å; F167-F483 HydrophobicContact CZ-CE2 3.96Å; F167-F483 HydrophobicContact CZ-CZ 4.39Å; L168-F483 HydrophobicContact CD2-CE1 4.19Å; L168-F483 HydrophobicContact CD2-CZ 4.12Å; G171-F483 VanDerWaalsContact CA-CZ 3.48Å; V175-F483 HydrophobicContact CG2-CB 3.62Å; V175-F483 HydrophobicContact CG2-CD1 4.09Å; V175-F483 HydrophobicContact CG2-CG 4.06Å; V416-F483 HydrophobicContact CG1-CB 4.11Å; V416-F483 HydrophobicContact CG1-CD2 4.45Å; I420-F483 HydrophobicContact CD1-CD2 3.19Å; I420-F483 HydrophobicContact CD1-CE2 3.32Å; I420-F483 HydrophobicContact CD1-CG 4.27Å; I420-F483 HydrophobicContact CD1-CZ 4.47Å; I420-F483 HydrophobicContact CG1-CD2 4.38Å; I420-F483 HydrophobicContact CG1-CE2 4.11Å; G479-F483 VanDerWaalsContact C-CE2 3.48Å; G479-F483 WeakPolarHBondContact O-CD2 3.24Å; G479-F483 WeakPolarHBondContact O-CE2 3.25Å; G479-F483 VanDerWaalsContact O-CG 3.23Å; G479-F483 WeakPolarHBondContact O-CG 3.18Å; G479-F483 PolarHBondContact O-N 2.84Å; H480-F483 PolarHBondContact O-N 3.47Å; L481-F483 VanDerWaalsContact C-N 3.34Å; F483-Y485 PolarHBondContact O-N 3.07Å; F483-T486 WeakPolarHBondContact O-CB 3.39Å; F483-T486 PolarHBondContact O-N 3.42Å; F483-I487 WeakPolarHBondContact O-CG1 3.37Å; F483-I487 PolarHBondContact O-N 3.36Å |
| 484 | L | 93.7 | Very high | 88.8 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 173.4 | -74.4 | -177.9 | 0 | 0 | 0 | 111.7 | Y413 H480 T486 I487 H488 L497 F501 I502 Y505 | Y413-L484 HydrophobicContact CD1-CD2 3.75Å; Y413-L484 HydrophobicContact CE1-CD2 3.44Å; Y413-L484 VanDerWaalsContact CE1-CD2 3.44Å; H480-L484 WeakPolarHBondContact O-CB 3.42Å; H480-L484 VanDerWaalsContact O-CG 3.24Å; H480-L484 WeakPolarHBondContact O-CG 3.25Å; H480-L484 PolarHBondContact O-N 3.04Å; L484-T486 VanDerWaalsContact C-N 3.27Å; L484-T486 PolarHBondContact O-N 3.27Å; L484-I487 PolarHBondContact O-N 3.48Å; L484-H488 PolarHBondContact O-N 3.12Å; L484-L497 HydrophobicContact CB-CD1 4.12Å; L484-L497 WeakPolarHBondContact O-CD1 3.16Å; L484-F501 HydrophobicContact CD2-CE1 4.07Å; L484-I502 HydrophobicContact CD1-CG2 4.49Å; L484-Y505 HydrophobicContact CD1-CD1 3.58Å; L484-Y505 HydrophobicContact CD1-CE1 3.92Å; L484-Y505 HydrophobicContact CD1-CG 4.28Å; L484-Y505 HydrophobicContact CD2-CD1 3.9Å; L484-Y505 HydrophobicContact CD2-CD2 4.4Å; L484-Y505 HydrophobicContact CD2-CE1 3.73Å; L484-Y505 HydrophobicContact CD2-CE2 4.29Å; L484-Y505 HydrophobicContact CD2-CG 4.21Å; L484-Y505 HydrophobicContact CG-CD1 3.99Å; L484-Y505 HydrophobicContact CG-CE1 3.84Å |
| 485 | Y | 92.1 | Very high | 87.6 | Confident | 141 Ų | 141 | 51.9 Ų | 51.9 | 55% | 0.553 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.8 | -36.1 | 178.1 | -171.7 | -108.8 | 0 | 0 | 0 | 111.9 | L481 I482 F483 H488 L489 | L481-Y485 WeakPolarHBondContact O-CB 3.49Å; L481-Y485 PolarHBondContact O-N 3.32Å; I482-Y485 PolarHBondContact O-N 2.89Å; F483-Y485 PolarHBondContact O-N 3.07Å; Y485-H488 PolarHBondContact O-N 3.06Å; Y485-L489 HydrophobicContact CD1-CD1 3.7Å; Y485-L489 HydrophobicContact CD1-CG 4.06Å; Y485-L489 HydrophobicContact CE1-CD1 3.38Å; Y485-L489 HydrophobicContact CE1-CD2 4.12Å; Y485-L489 HydrophobicContact CE1-CG 3.77Å; Y485-L489 WeakPolarHBondContact O-CB 3.46Å; Y485-L489 WeakPolarHBondContact O-CG 3.07Å; Y485-L489 PolarHBondContact O-N 3.4Å |
| 486 | T | 91.9 | Very high | 86.7 | Confident | 27 Ų | 27 | 53.5 Ų | 53.5 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 174.4 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | F172 V175 I482 F483 L484 H488 L489 M490 | F172-T486 HydrophobicContact CD1-CG2 4.39Å; F172-T486 HydrophobicContact CE1-CG2 4.26Å; V175-T486 HydrophobicContact CG1-CG2 4.1Å; I482-T486 WeakPolarHBondContact O-CB 3.44Å; I482-T486 PolarHBondContact O-N 2.85Å; I482-T486 PolarHBondContact O-OG1 2.76Å; F483-T486 WeakPolarHBondContact O-CB 3.39Å; F483-T486 PolarHBondContact O-N 3.42Å; L484-T486 VanDerWaalsContact C-N 3.27Å; L484-T486 PolarHBondContact O-N 3.27Å; T486-H488 VanDerWaalsContact C-N 3.32Å; T486-H488 PolarHBondContact O-N 3.13Å; T486-L489 PolarHBondContact O-N 2.9Å; T486-M490 HydrophobicContact CG2-SD 4.12Å; T486-M490 VanDerWaalsContact O-CG 3.29Å; T486-M490 WeakPolarHBondContact O-CG 3.3Å; T486-M490 PolarHBondContact O-N 2.9Å; T486-M490 VanDerWaalsContact O-N 3.08Å |
| 487 | I | 90.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 175.5 | -67.6 | 166.5 | 0 | 0 | 0 | 110.8 | V175 M179 V412 Y413 V416 F483 L484 M490 K491 S492 | V175-I487 HydrophobicContact CG1-CG1 3.82Å; V175-I487 HydrophobicContact CG2-CG1 4.43Å; M179-I487 HydrophobicContact CE-CB 4.42Å; M179-I487 HydrophobicContact CE-CG1 4.1Å; V412-I487 HydrophobicContact CG1-CG2 4.11Å; V412-I487 HydrophobicContact CG2-CD1 4.32Å; V412-I487 HydrophobicContact CG2-CG1 4.33Å; V412-I487 HydrophobicContact CG2-CG2 3.99Å; Y413-I487 HydrophobicContact CD1-CD1 3.75Å; Y413-I487 HydrophobicContact CE1-CD1 3.71Å; Y413-I487 HydrophobicContact CE1-CG2 4.18Å; V416-I487 HydrophobicContact CG2-CD1 4.24Å; F483-I487 WeakPolarHBondContact O-CG1 3.37Å; F483-I487 PolarHBondContact O-N 3.36Å; L484-I487 PolarHBondContact O-N 3.48Å; I487-M490 PolarHBondContact O-N 2.91Å; I487-K491 PolarHBondContact O-N 3.4Å; I487-S492 VanDerWaalsContact CG2-O 3.29Å; I487-S492 WeakPolarHBondContact CG2-O 3.47Å; I487-S492 PolarHBondContact O-N 3.15Å |
| 488 | H | 88.4 | Confident | 85.7 | Confident | 98 Ų | 98 | 53.1 Ų | 53.1 | 45% | 0.454 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 178.5 | 178.2 | 72.5 | 0 | 0 | 0 | 113.2 | L484 Y485 T486 M490 K491 L497 | L484-H488 PolarHBondContact O-N 3.12Å; Y485-H488 PolarHBondContact O-N 3.06Å; T486-H488 VanDerWaalsContact C-N 3.32Å; T486-H488 PolarHBondContact O-N 3.13Å; H488-M490 PolarHBondContact O-N 3.17Å; H488-K491 PolarHBondContact O-N 2.75Å; H488-L497 HydrophobicContact CB-CB 4.39Å; H488-L497 HydrophobicContact CB-CD1 3.5Å |
| 489 | L | 88.5 | Confident | 85.4 | Confident | 106 Ų | 106 | 56.9 Ų | 56.9 | 56% | 0.555 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.8 | -34.1 | 176.8 | -76.6 | 180 | 0 | 0 | 0 | 112.4 | Y485 T486 K491 | Y485-L489 HydrophobicContact CD1-CD1 3.7Å; Y485-L489 HydrophobicContact CD1-CG 4.06Å; Y485-L489 HydrophobicContact CE1-CD1 3.38Å; Y485-L489 HydrophobicContact CE1-CD2 4.12Å; Y485-L489 HydrophobicContact CE1-CG 3.77Å; Y485-L489 WeakPolarHBondContact O-CB 3.46Å; Y485-L489 WeakPolarHBondContact O-CG 3.07Å; Y485-L489 PolarHBondContact O-N 3.4Å; T486-L489 PolarHBondContact O-N 2.9Å; L489-K491 PolarHBondContact O-N 3.05Å |
| 490 | M | 85.5 | Confident | 85.2 | Confident | 84 Ų | 84 | 60.8 Ų | 60.8 | 41% | 0.414 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 2.4 | 179.2 | -64.1 | -169.6 | 68.1 | 0 | 0 | 113.3 | M45 M179 T486 I487 H488 S492 | M45-M490 HydrophobicContact CE-CE 3.22Å; M45-M490 HydrophobicContact CE-SD 4.49Å; M45-M490 HydrophobicContact CG-CE 4.25Å; M179-M490 HydrophobicContact CE-CB 3.54Å; M179-M490 HydrophobicContact CE-CE 4.2Å; M179-M490 HydrophobicContact CE-CG 3.84Å; M179-M490 HydrophobicContact CE-SD 3.34Å; M179-M490 WeakPolarHBondContact CE-SD 3.1Å; M179-M490 HydrophobicContact SD-CB 4.14Å; M179-M490 HydrophobicContact SD-CE 3.53Å; M179-M490 VanDerWaalsContact SD-CE 3.53Å; M179-M490 HydrophobicContact SD-CG 4.37Å; M179-M490 HydrophobicContact SD-SD 3.42Å; T486-M490 HydrophobicContact CG2-SD 4.12Å; T486-M490 VanDerWaalsContact O-CG 3.29Å; T486-M490 WeakPolarHBondContact O-CG 3.3Å; T486-M490 PolarHBondContact O-N 2.9Å; T486-M490 VanDerWaalsContact O-N 3.08Å; I487-M490 PolarHBondContact O-N 2.91Å; H488-M490 PolarHBondContact O-N 3.17Å; M490-S492 PolarHBondContact O-N 3.15Å |
| 491 | K | 80.8 | Confident | 85.1 | Confident | 199 Ų | 199 | 61 Ų | 61 | 87% | 0.865 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 35.5 | -179.9 | -57.9 | -174.1 | 176.5 | -173.2 | 0 | 113.4 | I487 H488 L489 | I487-K491 PolarHBondContact O-N 3.4Å; H488-K491 PolarHBondContact O-N 2.75Å; L489-K491 PolarHBondContact O-N 3.05Å |
| 492 | S | 70.9 | Confident | 85 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | trans | -102.5 | 152.8 | 177.3 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | D182 V412 I487 M490 | D182-S492 PolarHBondContact OD2-OG 3.2Å; V412-S492 WeakPolarHBondContact CG2-OG 3.42Å; I487-S492 VanDerWaalsContact CG2-O 3.29Å; I487-S492 WeakPolarHBondContact CG2-O 3.47Å; I487-S492 PolarHBondContact O-N 3.15Å; M490-S492 PolarHBondContact O-N 3.15Å | ||
| 493 | G | 65.3 | Low | 85 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 106 | 4.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | D182 G409 V412 T495 | D182-G493 PolarHBondContact OD2-N 3.11Å; G409-G493 VanDerWaalsContact CA-O 3.24Å; G409-G493 WeakPolarHBondContact CA-O 3.33Å; V412-G493 VanDerWaalsContact CG1-CA 3.46Å; G493-T495 WeakPolarHBondContact O-CB 3.43Å; G493-T495 VanDerWaalsContact O-CG2 3.22Å; G493-T495 WeakPolarHBondContact O-CG2 3.21Å; G493-T495 PolarHBondContact O-N 2.92Å; G493-T495 PolarHBondContact O-OG1 2.68Å |
| 494 | H | 67.7 | Low | 85 | Confident | 95 Ų | 95 | 61.3 Ų | 61.3 | 44% | 0.44 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 46.2 | 19.2 | 178.2 | -50.2 | -72.2 | 0 | 0 | 0 | 115.3 | D182 H186 V408 | D182-H494 IonicContact OD1-CD2 3.2Å; D182-H494 PolarHBondContact OD1-CD2 3.46Å; D182-H494 VanDerWaalsContact OD1-CD2 3.27Å; D182-H494 IonicContact OD1-NE2 3.58Å; D182-H494 PolarHBondContact OD1-NE2 3.46Å; H186-H494 AromaticContact NE2-CE1 3.83Å; H186-H494 AromaticContact NE2-NE2 3.42Å; H186-H494 PolarHBondContact NE2-NE2 3.44Å; V408-H494 HydrophobicContact CG1-CB 4.21Å |
| 495 | T | 67.7 | Low | 85.1 | Confident | 18 Ų | 18 | 61.3 Ų | 61.3 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | trans | -129.5 | 132 | -168.4 | 42.3 | 0 | 0 | 0 | 0 | 109.4 | Y413 G493 F558 D568 | Y413-T495 HydrophobicContact CE2-CG2 4.29Å; Y413-T495 VanDerWaalsContact CE2-OG1 3.3Å; Y413-T495 WeakPolarHBondContact CE2-OG1 3.34Å; Y413-T495 PolarHBondContact OH-OG1 3.17Å; G493-T495 WeakPolarHBondContact O-CB 3.43Å; G493-T495 VanDerWaalsContact O-CG2 3.22Å; G493-T495 WeakPolarHBondContact O-CG2 3.21Å; G493-T495 PolarHBondContact O-N 2.92Å; G493-T495 PolarHBondContact O-OG1 2.68Å; T495-F558 HydrophobicContact CG2-CE1 3.66Å; T495-F558 HydrophobicContact CG2-CZ 3.99Å; T495-D568 VanDerWaalsContact CA-OD1 3.25Å; T495-D568 WeakPolarHBondContact CA-OD1 3.31Å; T495-D568 WeakPolarHBondContact CB-OD1 3.46Å; T495-D568 VanDerWaalsContact CG2-CG 3.44Å; T495-D568 VanDerWaalsContact CG2-OD1 3.24Å; T495-D568 WeakPolarHBondContact CG2-OD1 3.21Å; T495-D568 VanDerWaalsContact CG2-OD2 3.22Å; T495-D568 WeakPolarHBondContact CG2-OD2 3.3Å | ||
| 496 | S | 73.6 | Confident | 85.3 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 32% | 0.315 | 29% | 0.288 | S | S | . | . | trans | -78.8 | 127.8 | 173.1 | 56.8 | 0 | 0 | 0 | 0 | 109.2 | T498 D568 | S496-T498 PolarHBondContact O-N 3.24Å; S496-D568 PolarHBondContact N-OD1 3.14Å | ||
| 497 | L | 83 | Confident | 85.6 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 24% | 0.236 | 31% | 0.309 | C | S | . | . | trans | -77.3 | 76 | -178.6 | -157.1 | 161.7 | 0 | 0 | 0 | 109.5 | L484 H488 I502 | L484-L497 HydrophobicContact CB-CD1 4.12Å; L484-L497 WeakPolarHBondContact O-CD1 3.16Å; H488-L497 HydrophobicContact CB-CB 4.39Å; H488-L497 HydrophobicContact CB-CD1 3.5Å; L497-I502 HydrophobicContact CD2-CD1 3.17Å; L497-I502 HydrophobicContact CD2-CG1 3.24Å; L497-I502 HydrophobicContact CG-CG1 4.21Å | ||
| 498 | T | 87.4 | Confident | 85.9 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 20% | 0.202 | 31% | 0.31 | C | S | . | . | trans | -77.5 | 157.8 | 177.2 | 74.9 | 0 | 0 | 0 | 0 | 110.6 | S496 I500 F501 I502 D566 | S496-T498 PolarHBondContact O-N 3.24Å; T498-I500 PolarHBondContact O-N 2.98Å; T498-I500 PolarHBondContact OG1-N 3.24Å; T498-F501 PolarHBondContact O-N 3.48Å; T498-F501 VanDerWaalsContact OG1-CB 3.3Å; T498-F501 WeakPolarHBondContact OG1-CB 3.39Å; T498-F501 PolarHBondContact OG1-N 2.86Å; T498-I502 VanDerWaalsContact O-CG1 3.3Å; T498-I502 WeakPolarHBondContact O-CG1 3.05Å; T498-I502 PolarHBondContact O-N 3.02Å; T498-D566 WeakPolarHBondContact CG2-OD1 3.32Å; T498-D566 PolarHBondContact OG1-OD2 3.42Å | ||
| 499 | I | 90 | Very high | 86.4 | Confident | 140 Ų | 140 | 56.5 Ų | 56.5 | 72% | 0.718 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.8 | -35.4 | 175.6 | -62.9 | 173.4 | 0 | 0 | 0 | 110.5 | I502 V503 | I499-I502 PolarHBondContact O-N 2.86Å; I499-V503 VanDerWaalsContact O-CG2 3.32Å; I499-V503 WeakPolarHBondContact O-CG2 3.49Å; I499-V503 PolarHBondContact O-N 2.9Å; I499-V503 VanDerWaalsContact O-N 3.07Å |
| 500 | I | 91.7 | Very high | 86.8 | Confident | 84 Ų | 84 | 53.4 Ų | 53.4 | 43% | 0.431 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.1 | -47.2 | 179.9 | -56.8 | 174.5 | 0 | 0 | 0 | 109.8 | T498 I502 V503 V504 L561 I564 | T498-I500 PolarHBondContact O-N 2.98Å; T498-I500 PolarHBondContact OG1-N 3.24Å; I500-I502 VanDerWaalsContact C-N 3.34Å; I500-I502 PolarHBondContact O-N 3.15Å; I500-V503 PolarHBondContact O-N 3.18Å; I500-V504 HydrophobicContact CG2-CG2 4.32Å; I500-V504 WeakPolarHBondContact O-CG2 3.41Å; I500-V504 PolarHBondContact O-N 3.31Å; I500-L561 HydrophobicContact CG2-CD2 3.84Å; I500-I564 HydrophobicContact CG2-CD1 3.62Å |
| 501 | F | 92.2 | Very high | 87.4 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -52.8 | -50.2 | 173.1 | 177.9 | -90 | 0 | 0 | 0 | 111.6 | Y413 L484 T498 V503 V504 Y505 F558 L561 | Y413-F501 HydrophobicContact CD1-CZ 4.38Å; Y413-F501 HydrophobicContact CD2-CZ 4.12Å; Y413-F501 HydrophobicContact CE1-CE1 4.07Å; Y413-F501 AromaticContact CE1-CZ 3.95Å; Y413-F501 HydrophobicContact CE1-CZ 3.95Å; Y413-F501 HydrophobicContact CE2-CE1 4.45Å; Y413-F501 HydrophobicContact CE2-CE2 4.36Å; Y413-F501 AromaticContact CE2-CZ 3.66Å; Y413-F501 HydrophobicContact CE2-CZ 3.66Å; Y413-F501 HydrophobicContact CG-CZ 4.47Å; Y413-F501 AromaticContact CZ-CE1 3.9Å; Y413-F501 AromaticContact CZ-CZ 3.56Å; L484-F501 HydrophobicContact CD2-CE1 4.07Å; T498-F501 PolarHBondContact O-N 3.48Å; T498-F501 VanDerWaalsContact OG1-CB 3.3Å; T498-F501 WeakPolarHBondContact OG1-CB 3.39Å; T498-F501 PolarHBondContact OG1-N 2.86Å; F501-V503 VanDerWaalsContact C-N 3.33Å; F501-V503 PolarHBondContact O-N 2.92Å; F501-V504 PolarHBondContact O-N 3.1Å; F501-Y505 HydrophobicContact CE1-CG 4.47Å; F501-Y505 HydrophobicContact CZ-CD2 4.32Å; F501-Y505 WeakPolarHBondContact O-CB 3.38Å; F501-Y505 PolarHBondContact O-N 3.12Å; F501-F558 HydrophobicContact CE2-CE1 4.33Å; F501-F558 AromaticContact CE2-CE2 3.86Å; F501-F558 HydrophobicContact CE2-CE2 3.86Å; F501-F558 AromaticContact CE2-CZ 3.67Å; F501-F558 HydrophobicContact CE2-CZ 3.67Å; F501-F558 HydrophobicContact CZ-CE2 4.3Å; F501-F558 HydrophobicContact CZ-CZ 4.19Å; F501-L561 HydrophobicContact CB-CD1 4.46Å; F501-L561 HydrophobicContact CD2-CD1 3.49Å; F501-L561 VanDerWaalsContact CD2-CD1 3.49Å; F501-L561 HydrophobicContact CE2-CD1 4.11Å; F501-L561 HydrophobicContact CG-CD1 4.37Å |
| 502 | I | 93.8 | Very high | 88.2 | Confident | 37 Ų | 37 | 43.1 Ų | 43.1 | 19% | 0.19 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.5 | -48.4 | 178.9 | -63.9 | 166.8 | 0 | 0 | 0 | 110.9 | L481 L484 L497 T498 I499 I500 L506 | L481-I502 HydrophobicContact CD2-CG2 3.81Å; L484-I502 HydrophobicContact CD1-CG2 4.49Å; L497-I502 HydrophobicContact CD2-CD1 3.17Å; L497-I502 HydrophobicContact CD2-CG1 3.24Å; L497-I502 HydrophobicContact CG-CG1 4.21Å; T498-I502 VanDerWaalsContact O-CG1 3.3Å; T498-I502 WeakPolarHBondContact O-CG1 3.05Å; T498-I502 PolarHBondContact O-N 3.02Å; I499-I502 PolarHBondContact O-N 2.86Å; I500-I502 VanDerWaalsContact C-N 3.34Å; I500-I502 PolarHBondContact O-N 3.15Å; I502-L506 HydrophobicContact CG2-CD1 3.59Å; I502-L506 HydrophobicContact CG2-CG 4.09Å; I502-L506 VanDerWaalsContact O-CB 3.24Å; I502-L506 WeakPolarHBondContact O-CB 3.4Å; I502-L506 WeakPolarHBondContact O-CG 3.41Å; I502-L506 PolarHBondContact O-N 3.44Å |
| 503 | V | 95.5 | Very high | 89.4 | Confident | 93 Ų | 93 | 42.4 Ų | 42.4 | 56% | 0.564 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.3 | -44.9 | -176.6 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | I499 I500 F501 F507 | I499-V503 VanDerWaalsContact O-CG2 3.32Å; I499-V503 WeakPolarHBondContact O-CG2 3.49Å; I499-V503 PolarHBondContact O-N 2.9Å; I499-V503 VanDerWaalsContact O-N 3.07Å; I500-V503 PolarHBondContact O-N 3.18Å; F501-V503 VanDerWaalsContact C-N 3.33Å; F501-V503 PolarHBondContact O-N 2.92Å; V503-F507 WeakPolarHBondContact O-CB 3.41Å; V503-F507 PolarHBondContact O-N 3.03Å |
| 504 | V | 95.2 | Very high | 90.9 | Very high | 21 Ų | 21 | 46 Ų | 46 | 13% | 0.127 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.2 | -45.7 | 179.8 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | I500 F501 L506 F507 A508 F560 L561 | I500-V504 HydrophobicContact CG2-CG2 4.32Å; I500-V504 WeakPolarHBondContact O-CG2 3.41Å; I500-V504 PolarHBondContact O-N 3.31Å; F501-V504 PolarHBondContact O-N 3.1Å; V504-L506 PolarHBondContact O-N 3.31Å; V504-F507 WeakPolarHBondContact O-CB 3.28Å; V504-F507 PolarHBondContact O-N 3.49Å; V504-A508 PolarHBondContact O-N 2.82Å; V504-F560 HydrophobicContact CG1-CD1 4.18Å; V504-F560 HydrophobicContact CG2-CD1 4.01Å; V504-F560 HydrophobicContact CG2-CE1 3.92Å; V504-L561 HydrophobicContact CB-CD2 4.33Å; V504-L561 HydrophobicContact CG1-CG 4.45Å; V504-L561 HydrophobicContact CG2-CD2 4.05Å |
| 505 | Y | 95.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 176.9 | 175.9 | -86.6 | 0 | 0 | 0 | 111.9 | Y413 I417 H480 L484 F501 F507 A508 A509 L554 | Y413-Y505 HydrophobicContact CD1-CE2 4.07Å; Y413-Y505 HydrophobicContact CG-CE2 4.29Å; I417-Y505 HydrophobicContact CD1-CE2 4.46Å; H480-Y505 HydrophobicContact CB-CE1 4.03Å; H480-Y505 AromaticContact CG-CE1 3.99Å; H480-Y505 AromaticContact ND1-CE1 3.41Å; H480-Y505 WeakPolarHBondContact ND1-CE1 3.3Å; H480-Y505 AromaticContact ND1-CZ 3.63Å; H480-Y505 PolarHBondContact ND1-OH 2.92Å; L484-Y505 HydrophobicContact CD1-CD1 3.58Å; L484-Y505 HydrophobicContact CD1-CE1 3.92Å; L484-Y505 HydrophobicContact CD1-CG 4.28Å; L484-Y505 HydrophobicContact CD2-CD1 3.9Å; L484-Y505 HydrophobicContact CD2-CD2 4.4Å; L484-Y505 HydrophobicContact CD2-CE1 3.73Å; L484-Y505 HydrophobicContact CD2-CE2 4.29Å; L484-Y505 HydrophobicContact CD2-CG 4.21Å; L484-Y505 HydrophobicContact CG-CD1 3.99Å; L484-Y505 HydrophobicContact CG-CE1 3.84Å; F501-Y505 HydrophobicContact CE1-CG 4.47Å; F501-Y505 HydrophobicContact CZ-CD2 4.32Å; F501-Y505 WeakPolarHBondContact O-CB 3.38Å; F501-Y505 PolarHBondContact O-N 3.12Å; Y505-F507 VanDerWaalsContact C-N 3.29Å; Y505-F507 PolarHBondContact O-N 2.65Å; Y505-A508 WeakPolarHBondContact O-CB 3.33Å; Y505-A508 PolarHBondContact O-N 2.95Å; Y505-A509 PolarHBondContact O-N 3.12Å; Y505-L554 HydrophobicContact CD2-CD1 3.66Å; Y505-L554 HydrophobicContact CE2-CD1 3.81Å |
| 506 | L | 97.2 | Very high | 93.5 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -36.5 | 178.1 | -73.6 | 178.4 | 0 | 0 | 0 | 111.6 | I477 H480 L481 I502 V504 A509 V510 | I477-L506 HydrophobicContact CG2-CD1 4.47Å; H480-L506 HydrophobicContact CB-CD2 3.63Å; L481-L506 HydrophobicContact CD2-CD1 3.88Å; L481-L506 HydrophobicContact CG-CD1 4.11Å; L481-L506 HydrophobicContact CG-CD2 4.44Å; I502-L506 HydrophobicContact CG2-CD1 3.59Å; I502-L506 HydrophobicContact CG2-CG 4.09Å; I502-L506 VanDerWaalsContact O-CB 3.24Å; I502-L506 WeakPolarHBondContact O-CB 3.4Å; I502-L506 WeakPolarHBondContact O-CG 3.41Å; I502-L506 PolarHBondContact O-N 3.44Å; V504-L506 PolarHBondContact O-N 3.31Å; L506-A509 PolarHBondContact O-N 2.96Å; L506-V510 WeakPolarHBondContact O-CB 3.29Å; L506-V510 VanDerWaalsContact O-CG2 3.25Å; L506-V510 WeakPolarHBondContact O-CG2 3.46Å; L506-V510 PolarHBondContact O-N 2.86Å |
| 507 | F | 97.3 | Very high | 94.6 | Very high | 141 Ų | 141 | 40.2 Ų | 40.2 | 62% | 0.618 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.4 | -46 | 173.5 | 178.4 | -97.6 | 0 | 0 | 0 | 111.4 | V503 V504 Y505 V510 L511 | V503-F507 WeakPolarHBondContact O-CB 3.41Å; V503-F507 PolarHBondContact O-N 3.03Å; V504-F507 WeakPolarHBondContact O-CB 3.28Å; V504-F507 PolarHBondContact O-N 3.49Å; Y505-F507 VanDerWaalsContact C-N 3.29Å; Y505-F507 PolarHBondContact O-N 2.65Å; F507-V510 PolarHBondContact O-N 3.04Å; F507-L511 HydrophobicContact CE1-CD2 4.08Å; F507-L511 HydrophobicContact CZ-CD2 4.43Å; F507-L511 WeakPolarHBondContact O-CB 3.44Å; F507-L511 PolarHBondContact O-N 2.96Å |
| 508 | A | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I417 V504 Y505 L511 Q512 L553 S557 | I417-A508 HydrophobicContact CD1-CB 4.39Å; V504-A508 PolarHBondContact O-N 2.82Å; Y505-A508 WeakPolarHBondContact O-CB 3.33Å; Y505-A508 PolarHBondContact O-N 2.95Å; A508-L511 PolarHBondContact O-N 3.46Å; A508-Q512 WeakPolarHBondContact O-CB 3.46Å; A508-Q512 PolarHBondContact O-N 3.47Å; A508-L553 HydrophobicContact CB-CB 4.02Å; A508-S557 WeakPolarHBondContact CB-OG 3.42Å |
| 509 | A | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I417 V476 Y505 L506 Q512 V513 | I417-A509 HydrophobicContact CD1-CB 4.34Å; V476-A509 HydrophobicContact CG1-CB 4.19Å; Y505-A509 PolarHBondContact O-N 3.12Å; L506-A509 PolarHBondContact O-N 2.96Å; A509-Q512 PolarHBondContact O-N 3.22Å; A509-V513 WeakPolarHBondContact O-CG2 3.42Å; A509-V513 PolarHBondContact O-N 3.2Å |
| 510 | V | 97.5 | Very high | 95.5 | Very high | 42 Ų | 42 | 35.8 Ų | 35.8 | 26% | 0.255 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65 | -42.9 | 176.3 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | L473 V476 I477 L506 F507 V513 F514 | L473-V510 HydrophobicContact CD1-CG1 4.3Å; V476-V510 HydrophobicContact CB-CG2 4.46Å; V476-V510 HydrophobicContact CG1-CG2 3.88Å; I477-V510 HydrophobicContact CD1-CG2 4.37Å; I477-V510 HydrophobicContact CG1-CG2 3.85Å; L506-V510 WeakPolarHBondContact O-CB 3.29Å; L506-V510 VanDerWaalsContact O-CG2 3.25Å; L506-V510 WeakPolarHBondContact O-CG2 3.46Å; L506-V510 PolarHBondContact O-N 2.86Å; F507-V510 PolarHBondContact O-N 3.04Å; V510-V513 PolarHBondContact O-N 3.49Å; V510-F514 WeakPolarHBondContact O-CB 3.45Å; V510-F514 PolarHBondContact O-N 3.21Å |
| 511 | L | 97.3 | Very high | 95.4 | Very high | 66 Ų | 66 | 32.1 Ų | 32.1 | 35% | 0.346 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 178.7 | -179.8 | 60.8 | 0 | 0 | 0 | 112 | F507 A508 T515 L553 | F507-L511 HydrophobicContact CE1-CD2 4.08Å; F507-L511 HydrophobicContact CZ-CD2 4.43Å; F507-L511 WeakPolarHBondContact O-CB 3.44Å; F507-L511 PolarHBondContact O-N 2.96Å; A508-L511 PolarHBondContact O-N 3.46Å; L511-T515 WeakPolarHBondContact O-CB 3.43Å; L511-T515 PolarHBondContact O-N 3.15Å; L511-T515 PolarHBondContact O-OG1 3.2Å; L511-L553 HydrophobicContact CB-CD1 4.37Å; L511-L553 HydrophobicContact CD2-CD1 4.27Å; L511-L553 HydrophobicContact CD2-CD2 3.78Å; L511-L553 HydrophobicContact CG-CD1 4.2Å |
| 512 | Q | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.1 | -58.2 | 174.8 | -176.1 | -156.6 | 0.9 | 0 | 0 | 110.4 | I417 A508 A509 F514 T515 L516 G546 L549 L553 | I417-Q512 PolarHBondContact O-NE2 3.42Å; I417-Q512 PolarHBondContact O-OE1 3.19Å; A508-Q512 WeakPolarHBondContact O-CB 3.46Å; A508-Q512 PolarHBondContact O-N 3.47Å; A509-Q512 PolarHBondContact O-N 3.22Å; Q512-F514 VanDerWaalsContact C-N 3.34Å; Q512-F514 PolarHBondContact O-N 3.35Å; Q512-T515 PolarHBondContact O-N 3.25Å; Q512-L516 HydrophobicContact CG-CD1 3.99Å; Q512-L516 VanDerWaalsContact O-CG 3.3Å; Q512-L516 WeakPolarHBondContact O-CG 2.94Å; Q512-L516 PolarHBondContact O-N 3.35Å; Q512-G546 PolarHBondContact NE2-O 2.8Å; Q512-L549 HydrophobicContact CG-CB 4.09Å; Q512-L553 HydrophobicContact CB-CD1 3.86Å |
| 513 | V | 96.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -40.3 | -176.3 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | L424 L473 V476 A509 V510 T515 L516 L517 | L424-V513 HydrophobicContact CD1-CG1 4.06Å; L424-V513 HydrophobicContact CD1-CG2 4.13Å; L473-V513 HydrophobicContact CD1-CG1 4.31Å; V476-V513 HydrophobicContact CG1-CG2 4.44Å; V476-V513 HydrophobicContact CG2-CB 3.86Å; V476-V513 HydrophobicContact CG2-CG1 3.66Å; V476-V513 HydrophobicContact CG2-CG2 3.87Å; A509-V513 WeakPolarHBondContact O-CG2 3.42Å; A509-V513 PolarHBondContact O-N 3.2Å; V510-V513 PolarHBondContact O-N 3.49Å; V513-T515 VanDerWaalsContact C-N 3.33Å; V513-T515 PolarHBondContact O-N 2.93Å; V513-L516 PolarHBondContact O-N 3.37Å; V513-L517 HydrophobicContact CG1-CD1 3.73Å; V513-L517 HydrophobicContact CG1-CG 4.03Å; V513-L517 WeakPolarHBondContact O-CB 3.23Å; V513-L517 VanDerWaalsContact O-CG 3.26Å; V513-L517 WeakPolarHBondContact O-CG 3.25Å; V513-L517 PolarHBondContact O-N 3.27Å |
| 514 | F | 95.9 | Very high | 94.9 | Very high | 75 Ų | 75 | 32.1 Ų | 32.1 | 33% | 0.329 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -56.6 | -47.6 | 174.8 | 177.5 | -89.4 | 0 | 0 | 0 | 111.6 | P455 F459 L473 V510 Q512 W518 | P455-F514 HydrophobicContact CB-CE1 4.31Å; P455-F514 HydrophobicContact CB-CZ 3.89Å; F459-F514 AromaticContact CD2-CD2 3.92Å; F459-F514 HydrophobicContact CD2-CD2 3.92Å; F459-F514 AromaticContact CD2-CE2 3.38Å; F459-F514 HydrophobicContact CD2-CE2 3.38Å; F459-F514 AromaticContact CD2-CZ 3.98Å; F459-F514 HydrophobicContact CD2-CZ 3.98Å; F459-F514 HydrophobicContact CE1-CD2 4.26Å; F459-F514 HydrophobicContact CE2-CD1 4.44Å; F459-F514 AromaticContact CE2-CD2 3.36Å; F459-F514 HydrophobicContact CE2-CD2 3.36Å; F459-F514 HydrophobicContact CE2-CE1 4.32Å; F459-F514 AromaticContact CE2-CE2 3.22Å; F459-F514 HydrophobicContact CE2-CE2 3.22Å; F459-F514 HydrophobicContact CE2-CG 4Å; F459-F514 AromaticContact CE2-CZ 3.74Å; F459-F514 HydrophobicContact CE2-CZ 3.74Å; F459-F514 HydrophobicContact CG-CE2 4.2Å; F459-F514 AromaticContact CZ-CD2 3.55Å; F459-F514 HydrophobicContact CZ-CD2 3.55Å; F459-F514 AromaticContact CZ-CE2 3.91Å; F459-F514 HydrophobicContact CZ-CE2 3.91Å; F459-F514 HydrophobicContact CZ-CG 4.09Å; F459-F514 WeakPolarHBondContact CZ-O 3.34Å; L473-F514 HydrophobicContact CD1-CB 4.24Å; L473-F514 HydrophobicContact CD2-CD2 4.24Å; V510-F514 WeakPolarHBondContact O-CB 3.45Å; V510-F514 PolarHBondContact O-N 3.21Å; Q512-F514 VanDerWaalsContact C-N 3.34Å; Q512-F514 PolarHBondContact O-N 3.35Å; F514-W518 PolarHBondContact O-N 3.43Å |
| 515 | T | 95.7 | Very high | 94.6 | Very high | 35 Ų | 35 | 31.6 Ų | 31.6 | 22% | 0.215 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 179.3 | -56.7 | 0 | 0 | 0 | 0 | 111 | L511 Q512 V513 W518 I519 L549 | L511-T515 WeakPolarHBondContact O-CB 3.43Å; L511-T515 PolarHBondContact O-N 3.15Å; L511-T515 PolarHBondContact O-OG1 3.2Å; Q512-T515 PolarHBondContact O-N 3.25Å; V513-T515 VanDerWaalsContact C-N 3.33Å; V513-T515 PolarHBondContact O-N 2.93Å; T515-W518 PolarHBondContact O-N 2.98Å; T515-I519 HydrophobicContact CG2-CD1 3.83Å; T515-I519 HydrophobicContact CG2-CG1 4.5Å; T515-I519 VanDerWaalsContact O-CG1 3.3Å; T515-I519 WeakPolarHBondContact O-CG1 3.33Å; T515-I519 PolarHBondContact O-N 3.44Å; T515-L549 HydrophobicContact CG2-CD1 3.95Å |
| 516 | L | 96 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.7 | -46 | 179.4 | -72.4 | 176.7 | 0 | 0 | 0 | 112.9 | V425 Q512 V513 W518 I519 A520 L542 L545 L549 | V425-L516 HydrophobicContact CB-CB 3.99Å; V425-L516 HydrophobicContact CB-CD1 4.41Å; V425-L516 HydrophobicContact CG1-CD1 4.32Å; V425-L516 HydrophobicContact CG2-CB 3.79Å; V425-L516 WeakPolarHBondContact CG2-O 3.49Å; Q512-L516 HydrophobicContact CG-CD1 3.99Å; Q512-L516 VanDerWaalsContact O-CG 3.3Å; Q512-L516 WeakPolarHBondContact O-CG 2.94Å; Q512-L516 PolarHBondContact O-N 3.35Å; V513-L516 PolarHBondContact O-N 3.37Å; L516-W518 VanDerWaalsContact C-N 3.31Å; L516-W518 PolarHBondContact O-N 3.3Å; L516-I519 PolarHBondContact O-N 3.27Å; L516-A520 WeakPolarHBondContact O-CB 3.39Å; L516-A520 PolarHBondContact O-N 2.84Å; L516-L542 WeakPolarHBondContact CD2-O 3.45Å; L516-L545 HydrophobicContact CD2-CB 3.96Å; L516-L549 HydrophobicContact CD2-CD1 4.15Å |
| 517 | L | 94.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.8 | -36.1 | 179.4 | -68.6 | 175.2 | 0 | 0 | 0 | 112 | Q428 F459 L472 L473 V513 A520 D521 | Q428-L517 HydrophobicContact CB-CD2 3.61Å; Q428-L517 HydrophobicContact CG-CD2 3.8Å; F459-L517 HydrophobicContact CE1-CB 4.08Å; F459-L517 HydrophobicContact CE1-CD1 3.9Å; F459-L517 HydrophobicContact CZ-CB 3.8Å; F459-L517 HydrophobicContact CZ-CD1 4.31Å; L472-L517 HydrophobicContact CB-CD1 4.16Å; L472-L517 HydrophobicContact CB-CD2 4.39Å; L472-L517 HydrophobicContact CD1-CD2 3.95Å; L473-L517 HydrophobicContact CB-CD1 4.22Å; V513-L517 HydrophobicContact CG1-CD1 3.73Å; V513-L517 HydrophobicContact CG1-CG 4.03Å; V513-L517 WeakPolarHBondContact O-CB 3.23Å; V513-L517 VanDerWaalsContact O-CG 3.26Å; V513-L517 WeakPolarHBondContact O-CG 3.25Å; V513-L517 PolarHBondContact O-N 3.27Å; L517-A520 PolarHBondContact O-N 3.11Å; L517-D521 PolarHBondContact O-N 3.5Å |
| 518 | W | 93.2 | Very high | 93.4 | Very high | 90 Ų | 90 | 26.6 Ų | 26.6 | 34% | 0.341 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -66 | -45.7 | 173.2 | 171.2 | 44.3 | 0 | 0 | 0 | 112.1 | Y453 P455 F459 F514 T515 L516 A520 D521 W522 | Y453-W518 PolarHBondContact O-NE1 3.46Å; Y453-W518 VanDerWaalsContact O-NE1 3.15Å; P455-W518 HydrophobicContact CB-CG 4.31Å; P455-W518 HydrophobicContact CG-CD2 3.74Å; P455-W518 HydrophobicContact CG-CE3 4.25Å; P455-W518 HydrophobicContact CG-CG 3.98Å; P455-W518 HydrophobicContact CG-CZ2 4.11Å; F459-W518 HydrophobicContact CE2-CB 4.37Å; F514-W518 PolarHBondContact O-N 3.43Å; T515-W518 PolarHBondContact O-N 2.98Å; L516-W518 VanDerWaalsContact C-N 3.31Å; L516-W518 PolarHBondContact O-N 3.3Å; W518-A520 VanDerWaalsContact C-N 3.3Å; W518-A520 PolarHBondContact O-N 3.24Å; W518-D521 PolarHBondContact O-N 3.07Å; W518-W522 PolarHBondContact O-N 3.31Å |
| 519 | I | 93.7 | Very high | 92.8 | Very high | 35 Ų | 35 | 33.3 Ų | 33.3 | 18% | 0.179 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.7 | -38.1 | 176.8 | -65.5 | 170.3 | 0 | 0 | 0 | 110.6 | T515 L516 D521 W522 M523 L542 L545 | T515-I519 HydrophobicContact CG2-CD1 3.83Å; T515-I519 HydrophobicContact CG2-CG1 4.5Å; T515-I519 VanDerWaalsContact O-CG1 3.3Å; T515-I519 WeakPolarHBondContact O-CG1 3.33Å; T515-I519 PolarHBondContact O-N 3.44Å; L516-I519 PolarHBondContact O-N 3.27Å; I519-D521 PolarHBondContact O-N 3.45Å; I519-W522 HydrophobicContact CG2-CE3 4.47Å; I519-W522 PolarHBondContact O-N 3.02Å; I519-M523 WeakPolarHBondContact O-CB 3.25Å; I519-M523 PolarHBondContact O-N 3.05Å; I519-L542 HydrophobicContact CB-CD2 4.16Å; I519-L542 HydrophobicContact CG2-CD2 3.78Å; I519-L545 HydrophobicContact CD1-CD1 4.31Å; I519-L545 HydrophobicContact CG2-CD1 4.12Å |
| 520 | A | 92.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V425 Q428 L516 L517 W518 M523 V524 L542 | V425-A520 HydrophobicContact CG2-CB 3.71Å; Q428-A520 HydrophobicContact CG-CB 4.38Å; L516-A520 WeakPolarHBondContact O-CB 3.39Å; L516-A520 PolarHBondContact O-N 2.84Å; L517-A520 PolarHBondContact O-N 3.11Å; W518-A520 VanDerWaalsContact C-N 3.3Å; W518-A520 PolarHBondContact O-N 3.24Å; A520-M523 PolarHBondContact O-N 3.46Å; A520-V524 WeakPolarHBondContact O-CB 3.3Å; A520-V524 VanDerWaalsContact O-CG2 3.26Å; A520-V524 WeakPolarHBondContact O-CG2 3.44Å; A520-V524 PolarHBondContact O-N 2.99Å; A520-L542 HydrophobicContact CB-CD1 3.66Å; A520-L542 HydrophobicContact CB-CD2 3.87Å; A520-L542 HydrophobicContact CB-CG 4.4Å |
| 521 | D | 90.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.3 | -50.3 | 176.7 | -171.8 | 41.2 | 0 | 0 | 0 | 111.1 | I432 T458 L517 W518 I519 H525 | I432-D521 HydrophobicContact CD1-CB 4.5Å; T458-D521 HydrophobicContact CG2-CB 3.69Å; T458-D521 PolarHBondContact OG1-OD2 3.49Å; L517-D521 PolarHBondContact O-N 3.5Å; W518-D521 PolarHBondContact O-N 3.07Å; I519-D521 PolarHBondContact O-N 3.45Å; D521-H525 PolarHBondContact O-ND1 2.84Å; D521-H525 IonicContact OD1-CE1 3.27Å; D521-H525 PolarHBondContact OD1-CE1 2.83Å; D521-H525 VanDerWaalsContact OD1-CE1 3.29Å; D521-H525 IonicContact OD1-ND1 2.65Å |
| 522 | W | 90.2 | Very high | 90.8 | Very high | 122 Ų | 122 | 38 Ų | 38 | 46% | 0.462 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.2 | -46.3 | 177.9 | 169.2 | 75.6 | 0 | 0 | 0 | 113.1 | W518 I519 H526 | W518-W522 PolarHBondContact O-N 3.31Å; I519-W522 HydrophobicContact CG2-CE3 4.47Å; I519-W522 PolarHBondContact O-N 3.02Å; W522-H526 WeakPolarHBondContact O-CB 3.29Å; W522-H526 PolarHBondContact O-N 2.97Å |
| 523 | M | 91.3 | Very high | 90 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.059 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -75.2 | -39.4 | -168.2 | -169.7 | 170 | 61.8 | 0 | 0 | 112.8 | I519 A520 H526 F527 S538 Y541 L542 | I519-M523 WeakPolarHBondContact O-CB 3.25Å; I519-M523 PolarHBondContact O-N 3.05Å; A520-M523 PolarHBondContact O-N 3.46Å; M523-H526 PolarHBondContact O-N 3.34Å; M523-F527 HydrophobicContact CG-CD2 3.64Å; M523-F527 HydrophobicContact CG-CE2 3.4Å; M523-F527 HydrophobicContact CG-CZ 4.48Å; M523-F527 WeakPolarHBondContact O-CD2 3.5Å; M523-F527 PolarHBondContact O-N 2.98Å; M523-F527 HydrophobicContact SD-CD2 4.49Å; M523-F527 HydrophobicContact SD-CE2 3.73Å; M523-S538 VanDerWaalsContact CE-O 3.25Å; M523-S538 WeakPolarHBondContact CE-O 3.29Å; M523-Y541 HydrophobicContact SD-CD2 4.14Å; M523-Y541 HydrophobicContact SD-CG 4.35Å; M523-L542 HydrophobicContact CE-CB 4.47Å; M523-L542 HydrophobicContact CE-CD1 3.78Å; M523-L542 HydrophobicContact CE-CD2 3.62Å; M523-L542 HydrophobicContact CE-CG 3.31Å |
| 524 | V | 89.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -48.3 | 176.9 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | A429 I432 L436 A520 H526 F527 W528 P534 | A429-V524 HydrophobicContact CB-CG2 4.09Å; I432-V524 HydrophobicContact CB-CB 4.41Å; I432-V524 HydrophobicContact CB-CG1 3.88Å; I432-V524 HydrophobicContact CG2-CB 3.99Å; I432-V524 HydrophobicContact CG2-CG1 3.38Å; L436-V524 HydrophobicContact CD1-CG1 3.76Å; A520-V524 WeakPolarHBondContact O-CB 3.3Å; A520-V524 VanDerWaalsContact O-CG2 3.26Å; A520-V524 WeakPolarHBondContact O-CG2 3.44Å; A520-V524 PolarHBondContact O-N 2.99Å; V524-H526 VanDerWaalsContact C-N 3.28Å; V524-H526 PolarHBondContact O-N 3.37Å; V524-F527 PolarHBondContact O-N 3.19Å; V524-W528 WeakPolarHBondContact O-CB 3.3Å; V524-W528 PolarHBondContact O-N 3.5Å; V524-P534 HydrophobicContact CB-CB 4.27Å; V524-P534 HydrophobicContact CG1-CB 3.72Å; V524-P534 HydrophobicContact CG1-CG 3.97Å; V524-P534 HydrophobicContact CG2-CB 4.31Å |
| 525 | H | 87.8 | Confident | 88.4 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.046 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.5 | -32.9 | 176.5 | -68.5 | 96 | 0 | 0 | 0 | 112.5 | L445 Y453 D521 R529 | L445-H525 HydrophobicContact CD2-CB 4.1Å; Y453-H525 HydrophobicContact CE1-CB 4.13Å; Y453-H525 AromaticContact CE1-CE1 3.97Å; Y453-H525 AromaticContact CE1-CG 3.74Å; Y453-H525 AromaticContact CE1-ND1 3.61Å; Y453-H525 HydrophobicContact CE2-CB 4.16Å; Y453-H525 AromaticContact CZ-CG 3.67Å; Y453-H525 WeakPolarHBondContact OH-CB 3.33Å; Y453-H525 PolarHBondContact OH-CD2 3.39Å; D521-H525 PolarHBondContact O-ND1 2.84Å; D521-H525 IonicContact OD1-CE1 3.27Å; D521-H525 PolarHBondContact OD1-CE1 2.83Å; D521-H525 VanDerWaalsContact OD1-CE1 3.29Å; D521-H525 IonicContact OD1-ND1 2.65Å; H525-R529 WeakPolarHBondContact O-CB 3.2Å; H525-R529 PolarHBondContact O-N 2.87Å |
| 526 | H | 88.4 | Confident | 87.7 | Confident | 41 Ų | 41 | 33.9 Ų | 33.9 | 19% | 0.19 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.3 | -44.2 | 176.9 | 177.5 | 77.2 | 0 | 0 | 0 | 112.6 | W522 M523 V524 R529 K530 | W522-H526 WeakPolarHBondContact O-CB 3.29Å; W522-H526 PolarHBondContact O-N 2.97Å; M523-H526 PolarHBondContact O-N 3.34Å; V524-H526 VanDerWaalsContact C-N 3.28Å; V524-H526 PolarHBondContact O-N 3.37Å; H526-R529 PolarHBondContact ND1-NH2 2.75Å; H526-R529 VanDerWaalsContact ND1-NH2 3.11Å; H526-K530 WeakPolarHBondContact NE2-CE 3.36Å; H526-K530 PolarHBondContact NE2-NZ 2.77Å; H526-K530 PolarHBondContact O-N 3.09Å |
| 527 | F | 89 | Confident | 87.3 | Confident | 18 Ų | 18 | 34.5 Ų | 34.5 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.9 | -41.4 | 174.8 | -78.3 | -58.6 | 0 | 0 | 0 | 111.8 | M523 V524 R529 K530 G531 K532 P534 F537 S538 Y541 | M523-F527 HydrophobicContact CG-CD2 3.64Å; M523-F527 HydrophobicContact CG-CE2 3.4Å; M523-F527 HydrophobicContact CG-CZ 4.48Å; M523-F527 WeakPolarHBondContact O-CD2 3.5Å; M523-F527 PolarHBondContact O-N 2.98Å; M523-F527 HydrophobicContact SD-CD2 4.49Å; M523-F527 HydrophobicContact SD-CE2 3.73Å; V524-F527 PolarHBondContact O-N 3.19Å; F527-R529 VanDerWaalsContact C-N 3.33Å; F527-R529 PolarHBondContact O-N 2.99Å; F527-K530 CarbonylContact O-C 3.29Å; F527-K530 WeakPolarHBondContact O-CA 3.32Å; F527-K530 WeakPolarHBondContact O-CB 3.21Å; F527-K530 PolarHBondContact O-N 3.25Å; F527-G531 PolarHBondContact O-N 2.96Å; F527-K532 CarbonylContact C-O 3.5Å; F527-K532 HydrophobicContact CB-CB 4.27Å; F527-K532 HydrophobicContact CD1-CB 4.07Å; F527-K532 HydrophobicContact CD1-CD 3.96Å; F527-K532 HydrophobicContact CE1-CD 4.27Å; F527-K532 PolarHBondContact O-N 3.42Å; F527-P534 HydrophobicContact CB-CB 4.48Å; F527-F537 HydrophobicContact CD1-CB 4.03Å; F527-F537 HydrophobicContact CD1-CG 4.36Å; F527-F537 HydrophobicContact CD2-CB 3.97Å; F527-F537 HydrophobicContact CE1-CB 4.02Å; F527-F537 HydrophobicContact CE1-CD1 4.17Å; F527-F537 HydrophobicContact CE1-CG 4.31Å; F527-F537 HydrophobicContact CE2-CB 3.93Å; F527-F537 HydrophobicContact CG-CB 4.03Å; F527-F537 HydrophobicContact CZ-CB 3.98Å; F527-S538 WeakPolarHBondContact CD2-OG 3.19Å; F527-Y541 AromaticContact CE2-CD2 3.87Å; F527-Y541 HydrophobicContact CE2-CD2 3.87Å; F527-Y541 HydrophobicContact CE2-CE2 4.09Å; F527-Y541 AromaticContact CZ-CD2 3.85Å; F527-Y541 HydrophobicContact CZ-CD2 3.85Å; F527-Y541 AromaticContact CZ-CE2 3.59Å; F527-Y541 HydrophobicContact CZ-CE2 3.59Å |
| 528 | W | 87.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.7 | -47.3 | 174.7 | -171.2 | -95.2 | 0 | 0 | 0 | 112.6 | L436 H437 S440 I441 P442 G443 E444 V524 K530 G531 P534 | L436-W528 HydrophobicContact CB-CD2 3.64Å; L436-W528 HydrophobicContact CB-CE3 3.69Å; L436-W528 HydrophobicContact CB-CG 4.27Å; L436-W528 HydrophobicContact CB-CH2 4.02Å; L436-W528 HydrophobicContact CB-CZ2 3.96Å; L436-W528 HydrophobicContact CB-CZ3 3.87Å; L436-W528 HydrophobicContact CD1-CB 3.83Å; L436-W528 HydrophobicContact CD1-CD2 3.92Å; L436-W528 HydrophobicContact CD1-CE3 4.12Å; L436-W528 HydrophobicContact CD1-CG 3.76Å; L436-W528 HydrophobicContact CD2-CG 4.35Å; L436-W528 HydrophobicContact CG-CD2 4.23Å; L436-W528 HydrophobicContact CG-CG 4.35Å; L436-W528 WeakPolarHBondContact O-CZ2 3.28Å; H437-W528 HydrophobicContact CB-CH2 4.34Å; H437-W528 AromaticContact CD2-CZ3 4Å; H437-W528 AromaticContact CE1-CH2 3.87Å; H437-W528 AromaticContact CE1-CZ3 3.48Å; H437-W528 VanDerWaalsContact CE1-CZ3 3.48Å; H437-W528 WeakPolarHBondContact CE1-CZ3 3.23Å; H437-W528 AromaticContact CG-CH2 3.85Å; H437-W528 AromaticContact CG-CZ3 3.81Å; H437-W528 AromaticContact ND1-CH2 3.43Å; H437-W528 WeakPolarHBondContact ND1-CH2 3.37Å; H437-W528 AromaticContact ND1-CZ3 3.5Å; H437-W528 WeakPolarHBondContact ND1-CZ3 3.44Å; H437-W528 AromaticContact NE2-CZ3 3.81Å; S440-W528 WeakPolarHBondContact O-CZ2 3.47Å; I441-W528 PolarHBondContact O-NE1 3.08Å; P442-W528 HydrophobicContact CB-CZ2 4.44Å; P442-W528 HydrophobicContact CG-CH2 3.95Å; P442-W528 HydrophobicContact CG-CZ2 4.05Å; G443-W528 WeakPolarHBondContact CA-O 3.35Å; G443-W528 PolarHBondContact N-O 3.31Å; E444-W528 PolarHBondContact O-NE1 3.15Å; V524-W528 WeakPolarHBondContact O-CB 3.3Å; V524-W528 PolarHBondContact O-N 3.5Å; W528-K530 PolarHBondContact O-N 2.72Å; W528-G531 PolarHBondContact O-N 3.09Å; W528-P534 HydrophobicContact CE3-CG 3.94Å; W528-P534 HydrophobicContact CZ3-CG 4.49Å |
| 529 | R | 86.2 | Confident | 87 | Confident | 142 Ų | 142 | 30.3 Ų | 30.3 | 54% | 0.536 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61.3 | -27.7 | 176.3 | -177 | 177.6 | 60.8 | 177.4 | -3.2 | 112.9 | L445 H525 H526 F527 G531 | L445-R529 HydrophobicContact CD1-CB 4.18Å; L445-R529 HydrophobicContact CD1-CG 4.27Å; H525-R529 WeakPolarHBondContact O-CB 3.2Å; H525-R529 PolarHBondContact O-N 2.87Å; H526-R529 PolarHBondContact ND1-NH2 2.75Å; H526-R529 VanDerWaalsContact ND1-NH2 3.11Å; F527-R529 VanDerWaalsContact C-N 3.33Å; F527-R529 PolarHBondContact O-N 2.99Å; R529-G531 VanDerWaalsContact C-N 3.27Å |
| 530 | K | 85.6 | Confident | 86.9 | Confident | 126 Ų | 126 | 28.7 Ų | 28.7 | 55% | 0.548 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 1.2 | 175.1 | -71.9 | -174.9 | 173.3 | -171.6 | 0 | 113.3 | H526 F527 W528 K532 | H526-K530 WeakPolarHBondContact NE2-CE 3.36Å; H526-K530 PolarHBondContact NE2-NZ 2.77Å; H526-K530 PolarHBondContact O-N 3.09Å; F527-K530 CarbonylContact O-C 3.29Å; F527-K530 WeakPolarHBondContact O-CA 3.32Å; F527-K530 WeakPolarHBondContact O-CB 3.21Å; F527-K530 PolarHBondContact O-N 3.25Å; W528-K530 PolarHBondContact O-N 2.72Å; K530-K532 HydrophobicContact CB-CG 4.35Å; K530-K532 PolarHBondContact O-N 3.48Å |
| 531 | G | 81.9 | Confident | 87 | Confident | 29 Ų | 29 | 30 Ų | 30 | 30% | 0.299 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 14.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F527 W528 R529 | F527-G531 PolarHBondContact O-N 2.96Å; W528-G531 PolarHBondContact O-N 3.09Å; R529-G531 VanDerWaalsContact C-N 3.27Å |
| 532 | K | 82.1 | Confident | 87.1 | Confident | 50 Ų | 50 | 29.7 Ų | 29.7 | 22% | 0.217 | 13% | 0.133 | C | C | . | . | trans | -91.3 | 137.4 | 175.4 | -67.1 | -167.3 | 171.7 | -164 | 0 | 109.2 | E382 F527 K530 P534 F537 | E382-K532 IonicContact OE2-NZ 2.69Å; F527-K532 CarbonylContact C-O 3.5Å; F527-K532 HydrophobicContact CB-CB 4.27Å; F527-K532 HydrophobicContact CD1-CB 4.07Å; F527-K532 HydrophobicContact CD1-CD 3.96Å; F527-K532 HydrophobicContact CE1-CD 4.27Å; F527-K532 PolarHBondContact O-N 3.42Å; K530-K532 HydrophobicContact CB-CG 4.35Å; K530-K532 PolarHBondContact O-N 3.48Å; K532-P534 WeakPolarHBondContact O-CD 3.34Å; K532-F537 HydrophobicContact CB-CD2 4.05Å; K532-F537 HydrophobicContact CB-CE2 4.16Å; K532-F537 HydrophobicContact CD-CD1 4.22Å; K532-F537 HydrophobicContact CD-CD2 4.43Å; K532-F537 HydrophobicContact CD-CE1 3.97Å; K532-F537 HydrophobicContact CD-CE2 4.19Å; K532-F537 HydrophobicContact CD-CG 4.45Å; K532-F537 HydrophobicContact CD-CZ 3.95Å; K532-F537 HydrophobicContact CG-CE2 4.44Å | ||
| 533 | D | 80.1 | Confident | 87.3 | Confident | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.053 | 11% | 0.111 | C | C | . | . | trans | -67.5 | 112.5 | 178.2 | -168.3 | -15.5 | 0 | 0 | 0 | 110.6 | H437 D535 S536 F537 | H437-D533 IonicContact CE1-OD1 3.34Å; H437-D533 IonicContact NE2-OD1 3.59Å; H437-D533 PolarHBondContact NE2-OD1 3.04Å; D533-D535 PolarHBondContact O-N 2.95Å; D533-D535 VanDerWaalsContact O-N 3.13Å; D533-D535 PolarHBondContact OD1-N 3.49Å; D533-D535 VanDerWaalsContact OD1-N 3.1Å; D533-S536 PolarHBondContact O-N 2.9Å; D533-F537 WeakPolarHBondContact O-CD2 3.22Å; D533-F537 PolarHBondContact O-N 3.48Å | ||
| 534 | P | 83.1 | Confident | 87.4 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.2 | -18.9 | -177.9 | 23.4 | -30.6 | 0 | 0 | 0 | 113.6 | S433 V524 F527 W528 K532 S538 | S433-P534 WeakPolarHBondContact OG-CG 3.34Å; V524-P534 HydrophobicContact CB-CB 4.27Å; V524-P534 HydrophobicContact CG1-CB 3.72Å; V524-P534 HydrophobicContact CG1-CG 3.97Å; V524-P534 HydrophobicContact CG2-CB 4.31Å; F527-P534 HydrophobicContact CB-CB 4.48Å; W528-P534 HydrophobicContact CE3-CG 3.94Å; W528-P534 HydrophobicContact CZ3-CG 4.49Å; K532-P534 WeakPolarHBondContact O-CD 3.34Å; P534-S538 WeakPolarHBondContact CA-OG 3.22Å; P534-S538 WeakPolarHBondContact CB-OG 3.24Å; P534-S538 WeakPolarHBondContact O-CA 3.2Å; P534-S538 WeakPolarHBondContact O-CB 3.43Å; P534-S538 PolarHBondContact O-N 3Å; P534-S538 PolarHBondContact O-OG 3.01Å; P534-S538 VanDerWaalsContact O-OG 3.04Å |
| 535 | D | 77.5 | Confident | 87.7 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.3 | -37.6 | 175.8 | -80.1 | 6.1 | 0 | 0 | 0 | 112.6 | S216 S433 D533 | S216-D535 VanDerWaalsContact OG-CG 3.27Å; S216-D535 PolarHBondContact OG-OD2 3.37Å; S433-D535 WeakPolarHBondContact CB-OD1 3.25Å; S433-D535 VanDerWaalsContact OG-CG 3.32Å; S433-D535 PolarHBondContact OG-OD1 2.92Å; D533-D535 PolarHBondContact O-N 2.95Å; D533-D535 VanDerWaalsContact O-N 3.13Å; D533-D535 PolarHBondContact OD1-N 3.49Å; D533-D535 VanDerWaalsContact OD1-N 3.1Å |
| 536 | S | 80.7 | Confident | 88.1 | Confident | 7 Ų | 7 | 25.2 Ų | 25.2 | 5% | 0.049 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -83 | -28.1 | -179.1 | -71.1 | 0 | 0 | 0 | 0 | 112.4 | E125 R217 P383 D533 | E125-S536 WeakPolarHBondContact OE2-CB 3.24Å; E125-S536 PolarHBondContact OE2-OG 2.94Å; R217-S536 PolarHBondContact NH2-OG 3.41Å; P383-S536 WeakPolarHBondContact CG-O 3.45Å; D533-S536 PolarHBondContact O-N 2.9Å |
| 537 | F | 87.6 | Confident | 88.4 | Confident | 15 Ų | 15 | 23.8 Ų | 23.8 | 7% | 0.066 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -104.8 | -45.5 | -174.7 | -72.2 | -94 | 0 | 0 | 0 | 113.7 | P383 F527 K532 D533 Y541 | P383-F537 HydrophobicContact CB-CD1 4.3Å; P383-F537 HydrophobicContact CG-CD1 4.07Å; P383-F537 HydrophobicContact CG-CE1 4.31Å; F527-F537 HydrophobicContact CD1-CB 4.03Å; F527-F537 HydrophobicContact CD1-CG 4.36Å; F527-F537 HydrophobicContact CD2-CB 3.97Å; F527-F537 HydrophobicContact CE1-CB 4.02Å; F527-F537 HydrophobicContact CE1-CD1 4.17Å; F527-F537 HydrophobicContact CE1-CG 4.31Å; F527-F537 HydrophobicContact CE2-CB 3.93Å; F527-F537 HydrophobicContact CG-CB 4.03Å; F527-F537 HydrophobicContact CZ-CB 3.98Å; K532-F537 HydrophobicContact CB-CD2 4.05Å; K532-F537 HydrophobicContact CB-CE2 4.16Å; K532-F537 HydrophobicContact CD-CD1 4.22Å; K532-F537 HydrophobicContact CD-CD2 4.43Å; K532-F537 HydrophobicContact CD-CE1 3.97Å; K532-F537 HydrophobicContact CD-CE2 4.19Å; K532-F537 HydrophobicContact CD-CG 4.45Å; K532-F537 HydrophobicContact CD-CZ 3.95Å; K532-F537 HydrophobicContact CG-CE2 4.44Å; D533-F537 WeakPolarHBondContact O-CD2 3.22Å; D533-F537 PolarHBondContact O-N 3.48Å; F537-Y541 WeakPolarHBondContact O-CD2 3.45Å |
| 538 | S | 91.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -74.3 | -42.7 | -169.1 | -49.8 | 0 | 0 | 0 | 0 | 112.5 | M523 F527 P534 Y541 L542 | M523-S538 VanDerWaalsContact CE-O 3.25Å; M523-S538 WeakPolarHBondContact CE-O 3.29Å; F527-S538 WeakPolarHBondContact CD2-OG 3.19Å; P534-S538 WeakPolarHBondContact CA-OG 3.22Å; P534-S538 WeakPolarHBondContact CB-OG 3.24Å; P534-S538 WeakPolarHBondContact O-CA 3.2Å; P534-S538 WeakPolarHBondContact O-CB 3.43Å; P534-S538 PolarHBondContact O-N 3Å; P534-S538 PolarHBondContact O-OG 3.01Å; P534-S538 VanDerWaalsContact O-OG 3.04Å; S538-Y541 PolarHBondContact O-N 2.88Å; S538-L542 WeakPolarHBondContact O-CD1 3.4Å; S538-L542 VanDerWaalsContact O-CG 3.3Å; S538-L542 WeakPolarHBondContact O-CG 3.15Å; S538-L542 PolarHBondContact O-N 3.38Å |
| 539 | I | 90 | Very high | 89.2 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.9 | -54 | -176.5 | -65.4 | 172.8 | 0 | 0 | 0 | 110.7 | M212 A426 A429 Y541 L542 T543 | M212-I539 HydrophobicContact CB-CG2 3.81Å; A426-I539 HydrophobicContact CB-CG2 4.31Å; A429-I539 HydrophobicContact CB-CG1 4.12Å; I539-Y541 VanDerWaalsContact C-N 3.3Å; I539-Y541 PolarHBondContact O-N 3.33Å; I539-L542 PolarHBondContact O-N 2.86Å; I539-T543 HydrophobicContact CG2-CG2 4.14Å; I539-T543 WeakPolarHBondContact O-CG2 3.26Å; I539-T543 PolarHBondContact O-N 3.06Å; I539-T543 VanDerWaalsContact O-N 3.08Å; I539-T543 PolarHBondContact O-OG1 3.08Å |
| 540 | P | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.2 | -38.3 | -179.9 | -27.2 | 36.2 | 0 | 0 | 0 | 114.4 | N209 P383 A387 T543 A544 | N209-P540 HydrophobicContact CB-CB 4.29Å; N209-P540 HydrophobicContact CB-CG 4.47Å; P383-P540 HydrophobicContact CB-CB 4.09Å; P383-P540 HydrophobicContact CB-CG 4.13Å; A387-P540 HydrophobicContact CB-CB 3.87Å; A387-P540 WeakPolarHBondContact CB-O 3.39Å; P540-T543 PolarHBondContact O-OG1 3.02Å; P540-A544 WeakPolarHBondContact O-CB 3.19Å; P540-A544 PolarHBondContact O-N 3.21Å |
| 541 | Y | 93.9 | Very high | 90.2 | Very high | 29 Ų | 29 | 14.2 Ų | 14.2 | 11% | 0.114 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69.9 | -42.5 | 178.3 | -70.9 | -50 | 0 | 0 | 0 | 112.2 | E382 P383 T386 M523 F527 F537 S538 I539 L545 | E382-Y541 PolarHBondContact OE1-OH 2.91Å; P383-Y541 HydrophobicContact CB-CE2 4.09Å; T386-Y541 HydrophobicContact CG2-CD1 4.32Å; T386-Y541 HydrophobicContact CG2-CE1 3.61Å; M523-Y541 HydrophobicContact SD-CD2 4.14Å; M523-Y541 HydrophobicContact SD-CG 4.35Å; F527-Y541 AromaticContact CE2-CD2 3.87Å; F527-Y541 HydrophobicContact CE2-CD2 3.87Å; F527-Y541 HydrophobicContact CE2-CE2 4.09Å; F527-Y541 AromaticContact CZ-CD2 3.85Å; F527-Y541 HydrophobicContact CZ-CD2 3.85Å; F527-Y541 AromaticContact CZ-CE2 3.59Å; F527-Y541 HydrophobicContact CZ-CE2 3.59Å; F537-Y541 WeakPolarHBondContact O-CD2 3.45Å; S538-Y541 PolarHBondContact O-N 2.88Å; I539-Y541 VanDerWaalsContact C-N 3.3Å; I539-Y541 PolarHBondContact O-N 3.33Å; Y541-L545 WeakPolarHBondContact O-CB 3.22Å; Y541-L545 VanDerWaalsContact O-CG 3.24Å; Y541-L545 WeakPolarHBondContact O-CG 3.2Å; Y541-L545 PolarHBondContact O-N 3.44Å |
| 542 | L | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.6 | -41.7 | -177.5 | -71.2 | 161.3 | 0 | 0 | 0 | 112.3 | V425 A429 L516 I519 A520 M523 S538 I539 L545 G546 | V425-L542 HydrophobicContact CB-CB 4.45Å; V425-L542 HydrophobicContact CG1-CB 3.75Å; V425-L542 HydrophobicContact CG2-CB 3.81Å; V425-L542 HydrophobicContact CG2-CD1 3.97Å; V425-L542 HydrophobicContact CG2-CD2 3.84Å; V425-L542 HydrophobicContact CG2-CG 4.01Å; A429-L542 HydrophobicContact CB-CD1 3.64Å; L516-L542 WeakPolarHBondContact CD2-O 3.45Å; I519-L542 HydrophobicContact CB-CD2 4.16Å; I519-L542 HydrophobicContact CG2-CD2 3.78Å; A520-L542 HydrophobicContact CB-CD1 3.66Å; A520-L542 HydrophobicContact CB-CD2 3.87Å; A520-L542 HydrophobicContact CB-CG 4.4Å; M523-L542 HydrophobicContact CE-CB 4.47Å; M523-L542 HydrophobicContact CE-CD1 3.78Å; M523-L542 HydrophobicContact CE-CD2 3.62Å; M523-L542 HydrophobicContact CE-CG 3.31Å; S538-L542 WeakPolarHBondContact O-CD1 3.4Å; S538-L542 VanDerWaalsContact O-CG 3.3Å; S538-L542 WeakPolarHBondContact O-CG 3.15Å; S538-L542 PolarHBondContact O-N 3.38Å; I539-L542 PolarHBondContact O-N 2.86Å; L542-L545 PolarHBondContact O-N 3Å; L542-G546 PolarHBondContact O-N 3.2Å |
| 543 | T | 93 | Very high | 91.6 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.018 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.6 | -42.6 | 179.8 | 49.2 | 0 | 0 | 0 | 0 | 110.9 | N209 M212 A426 I539 P540 G546 D547 | N209-T543 WeakPolarHBondContact OD1-CB 3.46Å; N209-T543 PolarHBondContact OD1-OG1 3.49Å; M212-T543 HydrophobicContact CE-CG2 3.35Å; M212-T543 HydrophobicContact SD-CG2 4.28Å; A426-T543 HydrophobicContact CB-CG2 4.47Å; I539-T543 HydrophobicContact CG2-CG2 4.14Å; I539-T543 WeakPolarHBondContact O-CG2 3.26Å; I539-T543 PolarHBondContact O-N 3.06Å; I539-T543 VanDerWaalsContact O-N 3.08Å; I539-T543 PolarHBondContact O-OG1 3.08Å; P540-T543 PolarHBondContact O-OG1 3.02Å; T543-G546 CarbonylContact O-C 3.52Å; T543-G546 VanDerWaalsContact O-CA 3.28Å; T543-G546 WeakPolarHBondContact O-CA 3.43Å; T543-G546 PolarHBondContact O-N 3.14Å; T543-D547 PolarHBondContact O-N 3.17Å |
| 544 | A | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.3 | -38.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | A387 I390 S391 P540 G546 D547 L548 | A387-A544 HydrophobicContact CB-CB 3.73Å; A387-A544 VanDerWaalsContact O-CB 3.22Å; A387-A544 WeakPolarHBondContact O-CB 3.37Å; I390-A544 HydrophobicContact CB-CB 3.93Å; I390-A544 HydrophobicContact CG2-CB 3.93Å; I390-A544 WeakPolarHBondContact CG2-O 3.45Å; S391-A544 WeakPolarHBondContact OG-CA 3.41Å; S391-A544 WeakPolarHBondContact OG-CB 3.33Å; P540-A544 WeakPolarHBondContact O-CB 3.19Å; P540-A544 PolarHBondContact O-N 3.21Å; A544-G546 PolarHBondContact O-N 3.44Å; A544-D547 PolarHBondContact O-N 3.23Å; A544-L548 PolarHBondContact O-N 3.34Å |
| 545 | L | 95.8 | Very high | 92.9 | Very high | 46 Ų | 46 | 13.3 Ų | 13.3 | 24% | 0.241 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.4 | -35.2 | 168.3 | -75.2 | 172.4 | 0 | 0 | 0 | 111.2 | L516 I519 Y541 L542 L549 | L516-L545 HydrophobicContact CD2-CB 3.96Å; I519-L545 HydrophobicContact CD1-CD1 4.31Å; I519-L545 HydrophobicContact CG2-CD1 4.12Å; Y541-L545 WeakPolarHBondContact O-CB 3.22Å; Y541-L545 VanDerWaalsContact O-CG 3.24Å; Y541-L545 WeakPolarHBondContact O-CG 3.2Å; Y541-L545 PolarHBondContact O-N 3.44Å; L542-L545 PolarHBondContact O-N 3Å; L545-L549 WeakPolarHBondContact O-CB 3.5Å; L545-L549 WeakPolarHBondContact O-CG 3.49Å; L545-L549 PolarHBondContact O-N 2.85Å |
| 546 | G | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q512 L542 T543 A544 G550 | Q512-G546 PolarHBondContact NE2-O 2.8Å; L542-G546 PolarHBondContact O-N 3.2Å; T543-G546 CarbonylContact O-C 3.52Å; T543-G546 VanDerWaalsContact O-CA 3.28Å; T543-G546 WeakPolarHBondContact O-CA 3.43Å; T543-G546 PolarHBondContact O-N 3.14Å; A544-G546 PolarHBondContact O-N 3.44Å; G546-G550 WeakPolarHBondContact O-CA 3.36Å; G546-G550 PolarHBondContact O-N 3.44Å |
| 547 | D | 94.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 18.6 Ų | 18.6 | 6% | 0.064 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 175.5 | -62.7 | -25.7 | 0 | 0 | 0 | 111.8 | G205 S391 N418 T543 A544 T551 | G205-D547 WeakPolarHBondContact CA-OD2 3.47Å; S391-D547 PolarHBondContact OG-OD2 3.02Å; N418-D547 PolarHBondContact ND2-O 3.43Å; N418-D547 PolarHBondContact OD1-O 3.2Å; T543-D547 PolarHBondContact O-N 3.17Å; A544-D547 PolarHBondContact O-N 3.23Å; D547-T551 WeakPolarHBondContact O-CB 3.49Å; D547-T551 PolarHBondContact O-N 3.25Å; D547-T551 PolarHBondContact O-OG1 3.3Å |
| 548 | L | 96.3 | Very high | 94.5 | Very high | 39 Ų | 39 | 18.2 Ų | 18.2 | 20% | 0.204 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.3 | -51.8 | -179.2 | 176.2 | 61.2 | 0 | 0 | 0 | 111.5 | I390 I393 I397 A544 A552 | I390-L548 HydrophobicContact CG2-CB 4.03Å; I390-L548 HydrophobicContact CG2-CD2 3.96Å; I393-L548 HydrophobicContact CB-CD1 4.14Å; I393-L548 HydrophobicContact CG2-CD1 3.74Å; I397-L548 HydrophobicContact CD1-CD1 3.82Å; A544-L548 PolarHBondContact O-N 3.34Å; L548-A552 WeakPolarHBondContact O-CB 3.33Å; L548-A552 PolarHBondContact O-N 2.76Å |
| 549 | L | 97.3 | Very high | 94.5 | Very high | 47 Ų | 47 | 22.3 Ų | 22.3 | 25% | 0.246 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.1 | -42 | -179.5 | -69.9 | 175 | 0 | 0 | 0 | 111.4 | Q512 T515 L516 L545 L553 | Q512-L549 HydrophobicContact CG-CB 4.09Å; T515-L549 HydrophobicContact CG2-CD1 3.95Å; L516-L549 HydrophobicContact CD2-CD1 4.15Å; L545-L549 WeakPolarHBondContact O-CB 3.5Å; L545-L549 WeakPolarHBondContact O-CG 3.49Å; L545-L549 PolarHBondContact O-N 2.85Å; L549-L553 VanDerWaalsContact O-CB 3.22Å; L549-L553 WeakPolarHBondContact O-CB 3.35Å; L549-L553 WeakPolarHBondContact O-CG 3.48Å; L549-L553 PolarHBondContact O-N 2.59Å |
| 550 | G | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -50.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N418 G546 L554 | N418-G550 VanDerWaalsContact OD1-CA 3.31Å; N418-G550 WeakPolarHBondContact OD1-CA 3.44Å; G546-G550 WeakPolarHBondContact O-CA 3.36Å; G546-G550 PolarHBondContact O-N 3.44Å; G550-L554 WeakPolarHBondContact O-CB 3.23Å; G550-L554 PolarHBondContact O-N 2.83Å |
| 551 | T | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.5 | -43.6 | 178.6 | -46.3 | 0 | 0 | 0 | 0 | 112 | G394 I397 L398 T414 N418 D547 L554 A555 | G394-T551 WeakPolarHBondContact O-CG2 3.29Å; I397-T551 HydrophobicContact CB-CG2 4.19Å; I397-T551 HydrophobicContact CG2-CG2 4.09Å; L398-T551 HydrophobicContact CB-CG2 3.96Å; T414-T551 HydrophobicContact CG2-CG2 4.24Å; N418-T551 PolarHBondContact ND2-OG1 3.24Å; N418-T551 PolarHBondContact OD1-N 3.5Å; N418-T551 VanDerWaalsContact OD1-N 3.14Å; N418-T551 PolarHBondContact OD1-OG1 3.48Å; D547-T551 WeakPolarHBondContact O-CB 3.49Å; D547-T551 PolarHBondContact O-N 3.25Å; D547-T551 PolarHBondContact O-OG1 3.3Å; T551-L554 PolarHBondContact O-N 3.39Å; T551-A555 WeakPolarHBondContact O-CB 2.94Å; T551-A555 PolarHBondContact O-N 3.47Å |
| 552 | A | 96.9 | Very high | 94.1 | Very high | 26 Ų | 26 | 31 Ų | 31 | 22% | 0.215 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.7 | -47 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I397 L548 L554 A555 L556 | I397-A552 HydrophobicContact CD1-CB 3.83Å; L548-A552 WeakPolarHBondContact O-CB 3.33Å; L548-A552 PolarHBondContact O-N 2.76Å; A552-L554 VanDerWaalsContact C-N 3.31Å; A552-L554 PolarHBondContact O-N 2.89Å; A552-A555 PolarHBondContact O-N 3.49Å; A552-L556 WeakPolarHBondContact O-CG 3.43Å; A552-L556 PolarHBondContact O-N 2.93Å |
| 553 | L | 97.4 | Very high | 93.8 | Very high | 32 Ų | 32 | 36.1 Ų | 36.1 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.4 | -36 | 178.8 | -70.4 | 171.5 | 0 | 0 | 0 | 111.6 | A508 L511 Q512 L549 S557 | A508-L553 HydrophobicContact CB-CB 4.02Å; L511-L553 HydrophobicContact CB-CD1 4.37Å; L511-L553 HydrophobicContact CD2-CD1 4.27Å; L511-L553 HydrophobicContact CD2-CD2 3.78Å; L511-L553 HydrophobicContact CG-CD1 4.2Å; Q512-L553 HydrophobicContact CB-CD1 3.86Å; L549-L553 VanDerWaalsContact O-CB 3.22Å; L549-L553 WeakPolarHBondContact O-CB 3.35Å; L549-L553 WeakPolarHBondContact O-CG 3.48Å; L549-L553 PolarHBondContact O-N 2.59Å; L553-S557 WeakPolarHBondContact O-CB 3.46Å; L553-S557 PolarHBondContact O-N 2.95Å; L553-S557 PolarHBondContact O-OG 3.02Å |
| 554 | L | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.3 | -46.2 | 174.5 | -171.9 | 65.5 | 0 | 0 | 0 | 111.4 | I410 I417 Y505 G550 T551 A552 L556 S557 F558 | I410-L554 HydrophobicContact CD1-CB 4.34Å; I410-L554 HydrophobicContact CD1-CD2 4.12Å; I410-L554 HydrophobicContact CD1-CG 4Å; I410-L554 HydrophobicContact CG1-CD2 3.49Å; I410-L554 VanDerWaalsContact CG1-CD2 3.49Å; I410-L554 HydrophobicContact CG1-CG 3.74Å; I417-L554 HydrophobicContact CD1-CB 4.36Å; I417-L554 HydrophobicContact CD1-CD1 4.49Å; I417-L554 HydrophobicContact CG2-CB 4.41Å; I417-L554 HydrophobicContact CG2-CD2 3.93Å; Y505-L554 HydrophobicContact CD2-CD1 3.66Å; Y505-L554 HydrophobicContact CE2-CD1 3.81Å; G550-L554 WeakPolarHBondContact O-CB 3.23Å; G550-L554 PolarHBondContact O-N 2.83Å; T551-L554 PolarHBondContact O-N 3.39Å; A552-L554 VanDerWaalsContact C-N 3.31Å; A552-L554 PolarHBondContact O-N 2.89Å; L554-L556 VanDerWaalsContact C-N 3.34Å; L554-L556 PolarHBondContact O-N 3.27Å; L554-S557 VanDerWaalsContact O-CB 3.29Å; L554-S557 WeakPolarHBondContact O-CB 3.46Å; L554-S557 PolarHBondContact O-N 3.47Å; L554-S557 VanDerWaalsContact O-N 3.09Å; L554-F558 HydrophobicContact CD1-CD2 4.01Å; L554-F558 HydrophobicContact CD1-CE2 3.81Å; L554-F558 HydrophobicContact CG-CD2 4.09Å; L554-F558 HydrophobicContact CG-CE2 4.13Å; L554-F558 WeakPolarHBondContact O-CD2 3.4Å; L554-F558 PolarHBondContact O-N 2.93Å |
| 555 | A | 94.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I397 T401 I410 T551 A552 S557 F558 H559 | I397-A555 HydrophobicContact CG2-CB 3.82Å; T401-A555 HydrophobicContact CG2-CB 4.34Å; I410-A555 HydrophobicContact CD1-CB 3.89Å; T551-A555 WeakPolarHBondContact O-CB 2.94Å; T551-A555 PolarHBondContact O-N 3.47Å; A552-A555 PolarHBondContact O-N 3.49Å; A555-S557 VanDerWaalsContact C-N 3.3Å; A555-S557 PolarHBondContact O-N 3.42Å; A555-F558 PolarHBondContact O-N 2.95Å; A555-H559 WeakPolarHBondContact O-CB 3.42Å; A555-H559 PolarHBondContact O-N 3.39Å |
| 556 | L | 94.7 | Very high | 91.8 | Very high | 113 Ų | 113 | 41.5 Ų | 41.5 | 59% | 0.592 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -62 | -37.6 | 173.9 | -72.2 | 172.1 | 0 | 0 | 0 | 112.4 | A552 L554 H559 F560 | A552-L556 WeakPolarHBondContact O-CG 3.43Å; A552-L556 PolarHBondContact O-N 2.93Å; L554-L556 VanDerWaalsContact C-N 3.34Å; L554-L556 PolarHBondContact O-N 3.27Å; L556-H559 PolarHBondContact O-N 2.7Å; L556-F560 VanDerWaalsContact O-CB 3.28Å; L556-F560 WeakPolarHBondContact O-CB 3.37Å; L556-F560 PolarHBondContact O-N 3.38Å |
| 557 | S | 93.4 | Very high | 90.3 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 177 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | A508 L553 L554 A555 F560 L561 | A508-S557 WeakPolarHBondContact CB-OG 3.42Å; L553-S557 WeakPolarHBondContact O-CB 3.46Å; L553-S557 PolarHBondContact O-N 2.95Å; L553-S557 PolarHBondContact O-OG 3.02Å; L554-S557 VanDerWaalsContact O-CB 3.29Å; L554-S557 WeakPolarHBondContact O-CB 3.46Å; L554-S557 PolarHBondContact O-N 3.47Å; L554-S557 VanDerWaalsContact O-N 3.09Å; A555-S557 VanDerWaalsContact C-N 3.3Å; A555-S557 PolarHBondContact O-N 3.42Å; S557-F560 PolarHBondContact O-N 2.87Å; S557-L561 WeakPolarHBondContact O-CB 3.19Å; S557-L561 WeakPolarHBondContact O-CD1 3.28Å; S557-L561 VanDerWaalsContact O-CG 3.23Å; S557-L561 WeakPolarHBondContact O-CG 3.48Å; S557-L561 PolarHBondContact O-N 2.97Å |
| 558 | F | 91.6 | Very high | 88.4 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 176.3 | -93.1 | -94.5 | 0 | 0 | 0 | 111.9 | L407 I410 Y413 T495 F501 L554 A555 F560 L561 W562 | L407-F558 HydrophobicContact CD2-CB 4.15Å; I410-F558 HydrophobicContact CB-CD2 4.3Å; I410-F558 HydrophobicContact CB-CE2 4.29Å; I410-F558 HydrophobicContact CB-CG 4.5Å; I410-F558 HydrophobicContact CB-CZ 4.48Å; I410-F558 HydrophobicContact CG1-CD2 4.27Å; I410-F558 HydrophobicContact CG1-CE2 4.38Å; Y413-F558 AromaticContact CD2-CE2 3.97Å; Y413-F558 HydrophobicContact CD2-CE2 3.97Å; Y413-F558 AromaticContact CD2-CZ 3.67Å; Y413-F558 HydrophobicContact CD2-CZ 3.67Å; Y413-F558 AromaticContact CE2-CZ 3.86Å; Y413-F558 HydrophobicContact CE2-CZ 3.86Å; T495-F558 HydrophobicContact CG2-CE1 3.66Å; T495-F558 HydrophobicContact CG2-CZ 3.99Å; F501-F558 HydrophobicContact CE2-CE1 4.33Å; F501-F558 AromaticContact CE2-CE2 3.86Å; F501-F558 HydrophobicContact CE2-CE2 3.86Å; F501-F558 AromaticContact CE2-CZ 3.67Å; F501-F558 HydrophobicContact CE2-CZ 3.67Å; F501-F558 HydrophobicContact CZ-CE2 4.3Å; F501-F558 HydrophobicContact CZ-CZ 4.19Å; L554-F558 HydrophobicContact CD1-CD2 4.01Å; L554-F558 HydrophobicContact CD1-CE2 3.81Å; L554-F558 HydrophobicContact CG-CD2 4.09Å; L554-F558 HydrophobicContact CG-CE2 4.13Å; L554-F558 WeakPolarHBondContact O-CD2 3.4Å; L554-F558 PolarHBondContact O-N 2.93Å; A555-F558 PolarHBondContact O-N 2.95Å; F558-F560 PolarHBondContact O-N 3.13Å; F558-L561 PolarHBondContact O-N 3.29Å; F558-W562 WeakPolarHBondContact O-CB 3.42Å; F558-W562 PolarHBondContact O-N 3.09Å |
| 559 | H | 91.2 | Very high | 85.9 | Confident | 87 Ų | 87 | 52.4 Ų | 52.4 | 40% | 0.403 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 175 | -168.6 | 69.2 | 0 | 0 | 0 | 112.2 | A555 L556 W562 L563 | A555-H559 WeakPolarHBondContact O-CB 3.42Å; A555-H559 PolarHBondContact O-N 3.39Å; L556-H559 PolarHBondContact O-N 2.7Å; H559-W562 PolarHBondContact O-N 2.85Å; H559-L563 VanDerWaalsContact O-CG 3.32Å; H559-L563 WeakPolarHBondContact O-CG 3.4Å; H559-L563 PolarHBondContact O-N 3.19Å |
| 560 | F | 91.8 | Very high | 83.3 | Confident | 102 Ų | 102 | 57.4 Ų | 57.4 | 45% | 0.447 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 175.5 | 174.2 | -100.5 | 0 | 0 | 0 | 112.3 | V504 L556 S557 F558 W562 L563 I564 | V504-F560 HydrophobicContact CG1-CD1 4.18Å; V504-F560 HydrophobicContact CG2-CD1 4.01Å; V504-F560 HydrophobicContact CG2-CE1 3.92Å; L556-F560 VanDerWaalsContact O-CB 3.28Å; L556-F560 WeakPolarHBondContact O-CB 3.37Å; L556-F560 PolarHBondContact O-N 3.38Å; S557-F560 PolarHBondContact O-N 2.87Å; F558-F560 PolarHBondContact O-N 3.13Å; F560-W562 VanDerWaalsContact C-N 3.31Å; F560-W562 PolarHBondContact O-N 2.85Å; F560-L563 WeakPolarHBondContact O-CB 3.27Å; F560-L563 PolarHBondContact O-N 3.21Å; F560-L563 VanDerWaalsContact O-N 3.16Å; F560-I564 HydrophobicContact CD1-CD1 4.45Å; F560-I564 HydrophobicContact CD2-CG2 4.44Å; F560-I564 HydrophobicContact CE1-CD1 3.98Å; F560-I564 HydrophobicContact CE1-CG2 4.18Å; F560-I564 HydrophobicContact CE2-CG2 3.93Å; F560-I564 HydrophobicContact CZ-CG2 3.79Å; F560-I564 PolarHBondContact O-N 3.42Å |
| 561 | L | 90 | Very high | 80.3 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 177.1 | -72.1 | 163.3 | 0 | 0 | 0 | 111.8 | I500 F501 V504 S557 F558 L563 I564 G565 D566 | I500-L561 HydrophobicContact CG2-CD2 3.84Å; F501-L561 HydrophobicContact CB-CD1 4.46Å; F501-L561 HydrophobicContact CD2-CD1 3.49Å; F501-L561 VanDerWaalsContact CD2-CD1 3.49Å; F501-L561 HydrophobicContact CE2-CD1 4.11Å; F501-L561 HydrophobicContact CG-CD1 4.37Å; V504-L561 HydrophobicContact CB-CD2 4.33Å; V504-L561 HydrophobicContact CG1-CG 4.45Å; V504-L561 HydrophobicContact CG2-CD2 4.05Å; S557-L561 WeakPolarHBondContact O-CB 3.19Å; S557-L561 WeakPolarHBondContact O-CD1 3.28Å; S557-L561 VanDerWaalsContact O-CG 3.23Å; S557-L561 WeakPolarHBondContact O-CG 3.48Å; S557-L561 PolarHBondContact O-N 2.97Å; F558-L561 PolarHBondContact O-N 3.29Å; L561-L563 PolarHBondContact O-N 3.31Å; L561-I564 HydrophobicContact CD2-CD1 4.19Å; L561-I564 WeakPolarHBondContact O-CG1 3.36Å; L561-I564 PolarHBondContact O-N 3.47Å; L561-G565 PolarHBondContact O-N 3.07Å; L561-D566 HydrophobicContact CD2-CB 4.34Å; L561-D566 PolarHBondContact O-N 2.97Å |
| 562 | W | 86.2 | Confident | 77.1 | Confident | 103 Ų | 103 | 67.2 Ų | 67.2 | 39% | 0.39 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 173.8 | -177.9 | 84.1 | 0 | 0 | 0 | 112.2 | L407 F558 H559 F560 I564 G565 | L407-W562 HydrophobicContact CD2-CB 4.22Å; F558-W562 WeakPolarHBondContact O-CB 3.42Å; F558-W562 PolarHBondContact O-N 3.09Å; H559-W562 PolarHBondContact O-N 2.85Å; F560-W562 VanDerWaalsContact C-N 3.31Å; F560-W562 PolarHBondContact O-N 2.85Å; W562-I564 PolarHBondContact O-N 3.42Å; W562-G565 PolarHBondContact O-N 3.49Å |
| 563 | L | 88.7 | Confident | 73.8 | Confident | 108 Ų | 108 | 77.9 Ų | 77.9 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.1 | -37.4 | 179 | -73.5 | 172.5 | 0 | 0 | 0 | 113.4 | H559 F560 L561 G565 | H559-L563 VanDerWaalsContact O-CG 3.32Å; H559-L563 WeakPolarHBondContact O-CG 3.4Å; H559-L563 PolarHBondContact O-N 3.19Å; F560-L563 WeakPolarHBondContact O-CB 3.27Å; F560-L563 PolarHBondContact O-N 3.21Å; F560-L563 VanDerWaalsContact O-N 3.16Å; L561-L563 PolarHBondContact O-N 3.31Å; L563-G565 PolarHBondContact O-N 3.03Å |
| 564 | I | 88.3 | Confident | 72.6 | Confident | 80 Ų | 80 | 80.2 Ų | 80.2 | 41% | 0.41 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -80 | -4.2 | 178.8 | 65 | 173.8 | 0 | 0 | 0 | 113.2 | I500 F560 L561 W562 D566 | I500-I564 HydrophobicContact CG2-CD1 3.62Å; F560-I564 HydrophobicContact CD1-CD1 4.45Å; F560-I564 HydrophobicContact CD2-CG2 4.44Å; F560-I564 HydrophobicContact CE1-CD1 3.98Å; F560-I564 HydrophobicContact CE1-CG2 4.18Å; F560-I564 HydrophobicContact CE2-CG2 3.93Å; F560-I564 HydrophobicContact CZ-CG2 3.79Å; F560-I564 PolarHBondContact O-N 3.42Å; L561-I564 HydrophobicContact CD2-CD1 4.19Å; L561-I564 WeakPolarHBondContact O-CG1 3.36Å; L561-I564 PolarHBondContact O-N 3.47Å; W562-I564 PolarHBondContact O-N 3.42Å; I564-D566 VanDerWaalsContact C-N 3.35Å; I564-D566 HydrophobicContact CD1-CB 4.28Å; I564-D566 HydrophobicContact CG1-CB 4.2Å |
| 565 | G | 78.5 | Confident | 71.4 | Confident | 44 Ų | 44 | 84.4 Ų | 84.4 | 45% | 0.454 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 14.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L561 W562 L563 R567 | L561-G565 PolarHBondContact O-N 3.07Å; W562-G565 PolarHBondContact O-N 3.49Å; L563-G565 PolarHBondContact O-N 3.03Å; G565-R567 PolarHBondContact O-N 3.16Å |
| 566 | D | 73.8 | Confident | 70.1 | Confident | 38 Ų | 38 | 88.3 Ų | 88.3 | 20% | 0.203 | 49% | 0.487 | C | S | . | . | trans | -75.8 | 60.7 | 162.2 | -162.3 | 33.5 | 0 | 0 | 0 | 107.8 | T498 L561 I564 D568 | T498-D566 WeakPolarHBondContact CG2-OD1 3.32Å; T498-D566 PolarHBondContact OG1-OD2 3.42Å; L561-D566 HydrophobicContact CD2-CB 4.34Å; L561-D566 PolarHBondContact O-N 2.97Å; I564-D566 VanDerWaalsContact C-N 3.35Å; I564-D566 HydrophobicContact CD1-CB 4.28Å; I564-D566 HydrophobicContact CG1-CB 4.2Å; D566-D568 PolarHBondContact O-N 3.45Å | ||
| 567 | R | 63.7 | Low | 68.7 | Low | 186 Ų | 186 | 86.9 Ų | 86.9 | 70% | 0.702 | 48% | 0.481 | S | S | * | . | trans | -66.6 | 127.1 | -179.9 | -63.8 | 177.2 | -179.8 | 166.8 | 0.3 | 105.6 | G565 G569 | G565-R567 PolarHBondContact O-N 3.16Å; R567-G569 VanDerWaalsContact C-N 3.33Å; R567-G569 PolarHBondContact O-N 3.36Å | ||
| 568 | D | 55.5 | Low | 67.1 | Low | 39 Ų | 39 | 91.5 Ų | 91.5 | 21% | 0.209 | 51% | 0.505 | C | S | . | . | trans | -45.9 | 105.5 | 169.9 | -75.2 | -46.1 | 0 | 0 | 0 | 108.6 | T495 S496 D566 D570 | T495-D568 VanDerWaalsContact CA-OD1 3.25Å; T495-D568 WeakPolarHBondContact CA-OD1 3.31Å; T495-D568 WeakPolarHBondContact CB-OD1 3.46Å; T495-D568 VanDerWaalsContact CG2-CG 3.44Å; T495-D568 VanDerWaalsContact CG2-OD1 3.24Å; T495-D568 WeakPolarHBondContact CG2-OD1 3.21Å; T495-D568 VanDerWaalsContact CG2-OD2 3.22Å; T495-D568 WeakPolarHBondContact CG2-OD2 3.3Å; S496-D568 PolarHBondContact N-OD1 3.14Å; D566-D568 PolarHBondContact O-N 3.45Å; D568-D570 PolarHBondContact O-N 2.8Å | ||
| 569 | G | 42.9 | Very low | 65.5 | Low | 54 Ų | 54 | 97.2 Ų | 97.2 | 56% | 0.557 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 68.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | R567 | R567-G569 VanDerWaalsContact C-N 3.33Å; R567-G569 PolarHBondContact O-N 3.36Å |
| 570 | D | 42.5 | Very low | 63.7 | Low | 153 Ų | 153 | 97.9 Ų | 97.9 | 82% | 0.818 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -160.1 | 25.3 | 164.4 | -103.4 | -12.6 | 0 | 0 | 0 | 113.2 | D568 | D568-D570 PolarHBondContact O-N 2.8Š|
| 571 | V | 33.5 | Very low | 61.5 | Low | 142 Ų | 142 | 97.6 Ų | 97.6 | 86% | 0.861 | 55% | 0.554 | S | S | * | * | trans | -98 | 70.1 | 154.9 | -106.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 572 | G | 27.9 | Very low | 59.1 | Low | 64 Ų | 64 | 105 Ų | 105 | 66% | 0.66 | 60% | 0.597 | S | S | * | * | trans | -124.6 | 108.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 573 | D | 28.3 | Very low | 56.7 | Low | 249 Ų | 249 | 105.2 Ų | 105.2 | 100% | 1.332 | 62% | 0.615 | S | S | * | * | trans | 81.2 | 0 | -179 | -59 | -20.3 | 0 | 0 | 0 | 118.9 |
Retrieved 573 of 573 residues in 108.2 ms
(Link to these results)