| 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 | 34 | Very low | 30.9 | Very low | 234 Ų | 234 | 143.1 Ų | 143.1 | 100% | 1.153 | 86% | 0.857 | S | S | * | * | 0 | 118 | 0 | -110.3 | 171.7 | 176.8 | 0 | 0 | 107.2 | |||||
| 2 | Y | 33.3 | Very low | 30.5 | Very low | 218 Ų | 218 | 146 Ų | 146 | 86% | 0.855 | 84% | 0.844 | S | S | * | * | trans | 62.7 | 102.1 | -179.6 | -73.4 | -86.4 | 0 | 0 | 0 | 116.4 | ||||
| 3 | S | 30.7 | Very low | 30.5 | Very low | 119 Ų | 119 | 154.2 Ų | 154.2 | 83% | 0.832 | 85% | 0.852 | S | S | * | * | 63 | 135.3 | 66.1 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 4 | G | 31.3 | Very low | 30.4 | Very low | 69 Ų | 69 | 151.6 Ų | 151.6 | 71% | 0.711 | 84% | 0.837 | S | S | * | * | cis | 172.4 | 138.2 | 8.9 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 5 | N | 32.8 | Very low | 30.2 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 85% | 0.85 | 84% | 0.835 | S | S | * | * | 73.4 | 122.6 | 99 | -151.7 | 20.5 | 0 | 0 | 0 | 117 | |||||
| 6 | R | 32.7 | Very low | 30 | Very low | 226 Ų | 226 | 143 Ų | 143 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | 164.9 | 106.2 | 140 | -94 | -176.6 | 175.2 | 177 | -0.4 | 109.9 | ||||
| 7 | S | 31.5 | Very low | 29.8 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 73% | 0.727 | 84% | 0.839 | S | S | * | * | 55.6 | 121.8 | 88 | 67.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 8 | G | 27.6 | Very low | 29.8 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | cis | 111.7 | 130.6 | 40.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 9 | G | 28.3 | Very low | 30 | Very low | 76 Ų | 76 | 136.3 Ų | 136.3 | 78% | 0.784 | 85% | 0.846 | S | S | * | * | trans | 146.2 | 94 | 165.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 10 | Q | 29.2 | Very low | 29.9 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 95% | 0.949 | 84% | 0.841 | S | S | * | * | trans | 12.2 | 139.4 | 139.3 | -87.4 | 156.3 | -23.6 | 0 | 0 | 122.5 | ||||
| 11 | G | 28.2 | Very low | 30 | Very low | 82 Ų | 82 | 132 Ų | 132 | 85% | 0.845 | 84% | 0.844 | S | S | * | * | trans | -166 | 94.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 12 | Y | 26.1 | Very low | 29.8 | Very low | 178 Ų | 178 | 130 Ų | 130 | 70% | 0.698 | 83% | 0.832 | S | S | * | * | trans | -85.5 | 138.4 | 179.4 | -165.7 | -93.1 | 0 | 0 | 0 | 110.3 | D14 | Y12-D14 HydrophobicContact CE1-CB 4.11Å; Y12-D14 WeakPolarHBondContact CE1-OD2 3.34Å; Y12-D14 PolarHBondContact OH-OD2 3.42Å | ||
| 13 | W | 30.2 | Very low | 29.8 | Very low | 252 Ų | 252 | 122.4 Ų | 122.4 | 96% | 0.955 | 82% | 0.82 | S | S | * | * | trans | -151.4 | 113.3 | 148.7 | -87.7 | 105.5 | 0 | 0 | 0 | 109.8 | ||||
| 14 | D | 29.5 | Very low | 30 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 64% | 0.636 | 82% | 0.822 | S | S | * | * | trans | -74.2 | 153.3 | 165.6 | -88.7 | -33 | 0 | 0 | 0 | 111.6 | Y12 | Y12-D14 HydrophobicContact CE1-CB 4.11Å; Y12-D14 WeakPolarHBondContact CE1-OD2 3.34Å; Y12-D14 PolarHBondContact OH-OD2 3.42Å | ||
| 15 | G | 28.3 | Very low | 30.1 | Very low | 79 Ų | 79 | 124 Ų | 124 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | 178.5 | 86.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 16 | G | 27.1 | Very low | 30.3 | Very low | 86 Ų | 86 | 122.4 Ų | 122.4 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -81 | 171.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 17 | G | 26 | Very low | 30.5 | Very low | 83 Ų | 83 | 116.6 Ų | 116.6 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | 125.1 | 95.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 18 | A | 29.8 | Very low | 30.6 | Very low | 109 Ų | 109 | 114.3 Ų | 114.3 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | 167.4 | 139.2 | 118.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 19 | A | 33 | Very low | 31.2 | Very low | 109 Ų | 109 | 116.9 Ų | 116.9 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | trans | -70.6 | 141.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 20 | G | 28.6 | Very low | 31.7 | Very low | 72 Ų | 72 | 121.2 Ų | 121.2 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | -160 | 81 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | E22 | G20-E22 VanDerWaalsContact C-N 3.33Å; G20-E22 PolarHBondContact O-N 3.3Å | ||
| 21 | A | 31 | Very low | 32.8 | Very low | 110 Ų | 110 | 116.4 Ų | 116.4 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -72 | 89.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | G23 | A21-G23 PolarHBondContact O-N 3.44Š| ||
| 22 | E | 31.1 | Very low | 34.5 | Very low | 194 Ų | 194 | 118.3 Ų | 118.3 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -80.1 | 102.1 | 162.3 | -74.4 | -172.1 | 161.3 | 0 | 0 | 108.1 | G20 | G20-E22 VanDerWaalsContact C-N 3.33Å; G20-E22 PolarHBondContact O-N 3.3Å | ||
| 23 | G | 32.8 | Very low | 36.8 | Very low | 57 Ų | 57 | 113.8 Ų | 113.8 | 59% | 0.588 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61 | 154 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A21 A25 | A21-G23 PolarHBondContact O-N 3.44Å; G23-A25 PolarHBondContact O-N 3.31Å; G23-A25 VanDerWaalsContact O-N 3.09Å |
| 24 | P | 34.7 | Very low | 39.3 | Very low | 136 Ų | 136 | 106.2 Ų | 106.2 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 119.4 | 177.6 | 25.9 | -30.9 | 0 | 0 | 0 | 109 | ||
| 25 | A | 32.8 | Very low | 42.2 | Very low | 87 Ų | 87 | 105 Ų | 105 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 142.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110 | G23 A27 | G23-A25 PolarHBondContact O-N 3.31Å; G23-A25 VanDerWaalsContact O-N 3.09Å; A25-A27 PolarHBondContact O-N 3.28Å |
| 26 | P | 37.8 | Very low | 45.3 | Very low | 125 Ų | 125 | 102.3 Ų | 102.3 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 137.6 | -179.5 | 26.3 | -32.3 | 0 | 0 | 0 | 109.2 | G28 | P26-G28 VanDerWaalsContact C-N 3.34Å; P26-G28 PolarHBondContact O-N 3.16Å |
| 27 | A | 36.7 | Very low | 48.4 | Very low | 103 Ų | 103 | 101.2 Ų | 101.2 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | trans | -52 | 96.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | A25 T29 | A25-A27 PolarHBondContact O-N 3.28Å; A27-T29 PolarHBondContact O-N 3.36Å | ||
| 28 | G | 34.7 | Very low | 51.6 | Low | 57 Ų | 57 | 101.2 Ų | 101.2 | 59% | 0.588 | 71% | 0.709 | S | S | * | * | trans | -58.3 | 122.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | P26 L30 | P26-G28 VanDerWaalsContact C-N 3.34Å; P26-G28 PolarHBondContact O-N 3.16Å; G28-L30 VanDerWaalsContact C-N 3.31Å; G28-L30 PolarHBondContact O-N 3.25Å | ||
| 29 | T | 38.8 | Very low | 54.6 | Low | 137 Ų | 137 | 97.3 Ų | 97.3 | 84% | 0.84 | 68% | 0.679 | S | S | * | * | trans | -51.4 | 97.5 | 167.1 | 38.1 | 0 | 0 | 0 | 0 | 108.3 | A27 S31 | A27-T29 PolarHBondContact O-N 3.36Å; T29-S31 PolarHBondContact O-N 3.47Å | ||
| 30 | L | 40.2 | Very low | 57.6 | Low | 167 Ų | 167 | 93.8 Ų | 93.8 | 87% | 0.874 | 65% | 0.646 | S | S | * | * | trans | -61 | 107 | 169.1 | -93.5 | 99.2 | 0 | 0 | 0 | 106.5 | G28 | G28-L30 VanDerWaalsContact C-N 3.31Å; G28-L30 PolarHBondContact O-N 3.25Å | ||
| 31 | S | 50.6 | Low | 60.8 | Low | 103 Ų | 103 | 90.6 Ų | 90.6 | 72% | 0.72 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 129.3 | 161.3 | -58.9 | 0 | 0 | 0 | 0 | 107.4 | T29 A33 | T29-S31 PolarHBondContact O-N 3.47Å; S31-A33 PolarHBondContact O-N 3.46Å |
| 32 | P | 64.2 | Low | 63.8 | Low | 122 Ų | 122 | 91.5 Ų | 91.5 | 79% | 0.792 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -55 | 142.6 | -179.3 | 20.7 | -30.8 | 0 | 0 | 0 | 109.9 | ||
| 33 | A | 74.1 | Confident | 66.9 | Low | 83 Ų | 83 | 89.2 Ų | 89.2 | 69% | 0.686 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 142.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S31 L35 | S31-A33 PolarHBondContact O-N 3.46Å; A33-L35 PolarHBondContact O-N 3.05Å |
| 34 | P | 83.1 | Confident | 69.9 | Low | 93 Ų | 93 | 87 Ų | 87 | 60% | 0.604 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -60 | 129.1 | -177 | 23 | -32.2 | 0 | 0 | 0 | 110.9 | F36 Y41 | P34-F36 VanDerWaalsContact C-N 3.29Å; P34-F36 PolarHBondContact O-N 2.98Å; P34-Y41 HydrophobicContact CB-CE2 4.15Å |
| 35 | L | 90.1 | Very high | 72.9 | Confident | 93 Ų | 93 | 80.8 Ų | 80.8 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -71.7 | -24 | -178 | -73.6 | 165.8 | 0 | 0 | 0 | 112.9 | A33 Y41 P288 | A33-L35 PolarHBondContact O-N 3.05Å; L35-Y41 PolarHBondContact N-OH 2.87Å; L35-P288 HydrophobicContact CD2-CG 4.18Å |
| 36 | F | 93.6 | Very high | 75.9 | Confident | 22 Ų | 22 | 83 Ų | 83 | 10% | 0.096 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -127.9 | 159.7 | -179.2 | -55.8 | -75.8 | 0 | 0 | 0 | 111.2 | P34 T40 Y41 H184 L186 P288 I292 | P34-F36 VanDerWaalsContact C-N 3.29Å; P34-F36 PolarHBondContact O-N 2.98Å; F36-T40 HydrophobicContact CB-CG2 4.02Å; F36-T40 HydrophobicContact CD1-CG2 4.15Å; F36-T40 HydrophobicContact CG-CG2 4.26Å; F36-Y41 HydrophobicContact CB-CD2 4.11Å; F36-Y41 HydrophobicContact CB-CE1 4.26Å; F36-Y41 HydrophobicContact CB-CE2 3.77Å; F36-Y41 HydrophobicContact CD2-CD1 4.43Å; F36-Y41 AromaticContact CD2-CE1 3.69Å; F36-Y41 HydrophobicContact CD2-CE1 3.69Å; F36-Y41 AromaticContact CD2-CZ 3.76Å; F36-Y41 HydrophobicContact CG-CE1 4.46Å; F36-Y41 PolarHBondContact N-OH 3.4Å; F36-Y41 WeakPolarHBondContact O-CE2 3.31Å; F36-H184 WeakPolarHBondContact CE2-O 3.36Å; F36-H184 HydrophobicContact CZ-CB 4.45Å; F36-L186 HydrophobicContact CD2-CD1 4.35Å; F36-L186 HydrophobicContact CE2-CD1 4.04Å; F36-P288 HydrophobicContact CE1-CB 3.97Å; F36-P288 HydrophobicContact CE2-CB 4.48Å; F36-P288 HydrophobicContact CZ-CB 3.65Å; F36-I292 HydrophobicContact CE1-CG2 4.25Å; F36-I292 HydrophobicContact CZ-CB 4.32Å; F36-I292 HydrophobicContact CZ-CG2 3.93Å |
| 37 | S | 93.5 | Very high | 78.6 | Confident | 63 Ų | 63 | 81.2 Ų | 81.2 | 44% | 0.441 | 50% | 0.497 | S | S | . | . | trans | -67.4 | 151.2 | 170.8 | 61.9 | 0 | 0 | 0 | 0 | 111.1 | G39 T40 Y41 | S37-G39 VanDerWaalsContact C-N 3.31Å; S37-G39 PolarHBondContact O-N 3.3Å; S37-T40 WeakPolarHBondContact O-CA 3.47Å; S37-T40 VanDerWaalsContact O-CB 3.32Å; S37-T40 WeakPolarHBondContact O-CB 3.02Å; S37-T40 PolarHBondContact O-N 3.37Å; S37-T40 PolarHBondContact OG-OG1 3.17Å; S37-Y41 PolarHBondContact O-N 3.24Å | ||
| 38 | P | 91.8 | Very high | 81.4 | Confident | 84 Ų | 84 | 76.3 Ų | 76.3 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -52.3 | -45 | 179.5 | -28.7 | 35.4 | 0 | 0 | 0 | 113.6 | T40 Y41 E42 | P38-T40 PolarHBondContact O-N 2.91Å; P38-Y41 WeakPolarHBondContact O-CB 3.45Å; P38-Y41 PolarHBondContact O-N 3.48Å; P38-Y41 VanDerWaalsContact O-N 3.11Å; P38-E42 PolarHBondContact O-N 3.38Å |
| 39 | G | 94.2 | Very high | 84.3 | Confident | 26 Ų | 26 | 74.8 Ų | 74.8 | 27% | 0.268 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.5 | -20.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | S37 R43 | S37-G39 VanDerWaalsContact C-N 3.31Å; S37-G39 PolarHBondContact O-N 3.3Å; G39-R43 WeakPolarHBondContact O-CG 3.27Å; G39-R43 VanDerWaalsContact O-CZ 3.25Å; G39-R43 PolarHBondContact O-N 2.89Å; G39-R43 PolarHBondContact O-NE 3.36Å; G39-R43 PolarHBondContact O-NH1 3.15Å |
| 40 | T | 94.8 | Very high | 87 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -76.9 | -41.9 | 172 | -58 | 0 | 0 | 0 | 0 | 111 | F36 S37 P38 E42 R43 L44 | F36-T40 HydrophobicContact CB-CG2 4.02Å; F36-T40 HydrophobicContact CD1-CG2 4.15Å; F36-T40 HydrophobicContact CG-CG2 4.26Å; S37-T40 WeakPolarHBondContact O-CA 3.47Å; S37-T40 VanDerWaalsContact O-CB 3.32Å; S37-T40 WeakPolarHBondContact O-CB 3.02Å; S37-T40 PolarHBondContact O-N 3.37Å; S37-T40 PolarHBondContact OG-OG1 3.17Å; P38-T40 PolarHBondContact O-N 2.91Å; T40-E42 VanDerWaalsContact C-N 3.31Å; T40-E42 PolarHBondContact O-N 3.09Å; T40-R43 PolarHBondContact O-N 3.33Å; T40-R43 PolarHBondContact OG1-NH2 3.32Å; T40-L44 HydrophobicContact CG2-CD1 4.16Å; T40-L44 HydrophobicContact CG2-CG 4.39Å; T40-L44 VanDerWaalsContact O-CG 3.3Å; T40-L44 WeakPolarHBondContact O-CG 3.41Å; T40-L44 PolarHBondContact O-N 3.4Å |
| 41 | Y | 95.8 | Very high | 89.6 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 2% | 0.02 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59 | -42.1 | 173.4 | -76.2 | -64.1 | 0 | 0 | 0 | 112.1 | P34 L35 F36 S37 P38 R43 L44 A45 C102 N105 L186 | P34-Y41 HydrophobicContact CB-CE2 4.15Å; L35-Y41 PolarHBondContact N-OH 2.87Å; F36-Y41 HydrophobicContact CB-CD2 4.11Å; F36-Y41 HydrophobicContact CB-CE1 4.26Å; F36-Y41 HydrophobicContact CB-CE2 3.77Å; F36-Y41 HydrophobicContact CD2-CD1 4.43Å; F36-Y41 AromaticContact CD2-CE1 3.69Å; F36-Y41 HydrophobicContact CD2-CE1 3.69Å; F36-Y41 AromaticContact CD2-CZ 3.76Å; F36-Y41 HydrophobicContact CG-CE1 4.46Å; F36-Y41 PolarHBondContact N-OH 3.4Å; F36-Y41 WeakPolarHBondContact O-CE2 3.31Å; S37-Y41 PolarHBondContact O-N 3.24Å; P38-Y41 WeakPolarHBondContact O-CB 3.45Å; P38-Y41 PolarHBondContact O-N 3.48Å; P38-Y41 VanDerWaalsContact O-N 3.11Å; Y41-R43 PolarHBondContact O-N 3.36Å; Y41-L44 PolarHBondContact O-N 3.18Å; Y41-A45 WeakPolarHBondContact O-CB 3.42Å; Y41-A45 PolarHBondContact O-N 3.41Å; Y41-C102 WeakPolarHBondContact CB-O 3.38Å; Y41-N105 VanDerWaalsContact CB-OD1 3.26Å; Y41-N105 WeakPolarHBondContact CB-OD1 3.14Å; Y41-N105 HydrophobicContact CD2-CB 3.78Å; Y41-N105 WeakPolarHBondContact CD2-OD1 3.13Å; Y41-N105 HydrophobicContact CE2-CB 3.87Å; Y41-N105 HydrophobicContact CG-CB 4.27Å; Y41-N105 PolarHBondContact OH-O 3.03Å; Y41-L186 HydrophobicContact CD1-CD1 4.28Å; Y41-L186 HydrophobicContact CD1-CD2 4.34Å; Y41-L186 HydrophobicContact CE1-CD1 3.95Å; Y41-L186 HydrophobicContact CE1-CD2 3.81Å; Y41-L186 HydrophobicContact CE1-CG 4.25Å |
| 42 | E | 95.1 | Very high | 91.8 | Very high | 130 Ų | 130 | 59.4 Ų | 59.4 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59 | -47.1 | 174.6 | -71.3 | 176 | 174.3 | 0 | 0 | 112.3 | P38 T40 L44 A45 L46 | P38-E42 PolarHBondContact O-N 3.38Å; T40-E42 VanDerWaalsContact C-N 3.31Å; T40-E42 PolarHBondContact O-N 3.09Å; E42-L44 PolarHBondContact O-N 3.38Å; E42-A45 PolarHBondContact O-N 3.16Å; E42-L46 WeakPolarHBondContact O-CG 3.28Å; E42-L46 PolarHBondContact O-N 2.84Å |
| 43 | R | 96.4 | Very high | 93.3 | Very high | 145 Ų | 145 | 60 Ų | 60 | 55% | 0.547 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.6 | -74 | -175.1 | -66.9 | -97.8 | 1.6 | 112.2 | G39 T40 Y41 A45 L46 L47 | G39-R43 WeakPolarHBondContact O-CG 3.27Å; G39-R43 VanDerWaalsContact O-CZ 3.25Å; G39-R43 PolarHBondContact O-N 2.89Å; G39-R43 PolarHBondContact O-NE 3.36Å; G39-R43 PolarHBondContact O-NH1 3.15Å; T40-R43 PolarHBondContact O-N 3.33Å; T40-R43 PolarHBondContact OG1-NH2 3.32Å; Y41-R43 PolarHBondContact O-N 3.36Å; R43-A45 VanDerWaalsContact C-N 3.35Å; R43-L46 PolarHBondContact O-N 3.37Å; R43-L47 WeakPolarHBondContact O-CG 3.41Å; R43-L47 PolarHBondContact O-N 3.29Å |
| 44 | L | 95.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 60.2 Ų | 60.2 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 176.3 | -70.8 | 173.8 | 0 | 0 | 0 | 111.4 | T40 Y41 E42 L47 L48 L186 I292 L296 | T40-L44 HydrophobicContact CG2-CD1 4.16Å; T40-L44 HydrophobicContact CG2-CG 4.39Å; T40-L44 VanDerWaalsContact O-CG 3.3Å; T40-L44 WeakPolarHBondContact O-CG 3.41Å; T40-L44 PolarHBondContact O-N 3.4Å; Y41-L44 PolarHBondContact O-N 3.18Å; E42-L44 PolarHBondContact O-N 3.38Å; L44-L47 PolarHBondContact O-N 2.92Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.25Å; L44-L48 PolarHBondContact O-N 3.25Å; L44-L186 HydrophobicContact CD1-CD1 4.03Å; L44-I292 HydrophobicContact CD1-CG1 4.06Å; L44-I292 HydrophobicContact CD2-CG1 3.8Å; L44-L296 HydrophobicContact CD2-CD1 3.77Å |
| 45 | A | 95.9 | Very high | 95 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.033 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y41 E42 R43 L47 G49 F99 C102 L103 | Y41-A45 WeakPolarHBondContact O-CB 3.42Å; Y41-A45 PolarHBondContact O-N 3.41Å; E42-A45 PolarHBondContact O-N 3.16Å; R43-A45 VanDerWaalsContact C-N 3.35Å; A45-L47 PolarHBondContact O-N 3.38Å; A45-G49 WeakPolarHBondContact O-CA 3.42Å; A45-G49 PolarHBondContact O-N 3.27Å; A45-F99 HydrophobicContact CB-CD2 4.25Å; A45-F99 HydrophobicContact CB-CE2 4.11Å; A45-F99 VanDerWaalsContact O-CD2 3.27Å; A45-F99 WeakPolarHBondContact O-CD2 3.01Å; A45-F99 VanDerWaalsContact O-CE2 3.3Å; A45-F99 WeakPolarHBondContact O-CE2 3.44Å; A45-C102 HydrophobicContact CB-CB 3.74Å; A45-L103 HydrophobicContact CB-CD2 3.85Å; A45-L103 HydrophobicContact CB-CG 4.42Å |
| 46 | L | 96.2 | Very high | 95.3 | Very high | 133 Ų | 133 | 53.3 Ų | 53.3 | 70% | 0.696 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.1 | -45.3 | 175.9 | -71.4 | 172.3 | 0 | 0 | 0 | 112.1 | E42 R43 S50 | E42-L46 WeakPolarHBondContact O-CG 3.28Å; E42-L46 PolarHBondContact O-N 2.84Å; R43-L46 PolarHBondContact O-N 3.37Å; L46-S50 WeakPolarHBondContact O-CB 3.26Å; L46-S50 PolarHBondContact O-N 3.44Å; L46-S50 PolarHBondContact O-OG 3.42Å |
| 47 | L | 95.7 | Very high | 95.4 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 47% | 0.466 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -51.3 | 178.9 | -72 | 171.3 | 0 | 0 | 0 | 111.7 | R43 L44 A45 G49 S50 I51 L296 | R43-L47 WeakPolarHBondContact O-CG 3.41Å; R43-L47 PolarHBondContact O-N 3.29Å; L44-L47 PolarHBondContact O-N 2.92Å; A45-L47 PolarHBondContact O-N 3.38Å; L47-G49 PolarHBondContact O-N 3.17Å; L47-S50 PolarHBondContact O-N 2.93Å; L47-S50 PolarHBondContact O-OG 3.06Å; L47-I51 WeakPolarHBondContact O-CG1 3.43Å; L47-I51 PolarHBondContact O-N 3.05Å; L47-L296 HydrophobicContact CD1-CD1 4.46Å |
| 48 | L | 95 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 178.3 | -77.4 | 160 | 0 | 0 | 0 | 111.9 | L44 S50 I51 G52 V95 T98 F99 Y295 L296 | L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.25Å; L44-L48 PolarHBondContact O-N 3.25Å; L48-S50 VanDerWaalsContact C-N 3.31Å; L48-S50 PolarHBondContact O-N 3.35Å; L48-I51 PolarHBondContact O-N 3.4Å; L48-G52 PolarHBondContact O-N 3.32Å; L48-V95 HydrophobicContact CB-CG1 4.24Å; L48-V95 HydrophobicContact CD2-CG1 4.17Å; L48-V95 WeakPolarHBondContact O-CG1 3.31Å; L48-T98 HydrophobicContact CD1-CG2 3.4Å; L48-T98 VanDerWaalsContact CD1-CG2 3.4Å; L48-T98 HydrophobicContact CD2-CG2 4.35Å; L48-F99 HydrophobicContact CB-CB 4.47Å; L48-Y295 HydrophobicContact CD2-CE1 4.45Å; L48-L296 HydrophobicContact CD1-CD2 4.31Å; L48-L296 HydrophobicContact CD2-CD2 3.62Å; L48-L296 HydrophobicContact CG-CD2 3.64Å |
| 49 | G | 95.1 | Very high | 95.8 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 26% | 0.258 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A45 L47 G52 L53 | A45-G49 WeakPolarHBondContact O-CA 3.42Å; A45-G49 PolarHBondContact O-N 3.27Å; L47-G49 PolarHBondContact O-N 3.17Å; G49-G52 PolarHBondContact O-N 3.11Å; G49-L53 WeakPolarHBondContact O-CB 3.45Å; G49-L53 PolarHBondContact O-N 3.38Å |
| 50 | S | 95.6 | Very high | 95.9 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 37% | 0.371 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 175.5 | 77 | 0 | 0 | 0 | 0 | 112.6 | L46 L47 L48 L53 L54 | L46-S50 WeakPolarHBondContact O-CB 3.26Å; L46-S50 PolarHBondContact O-N 3.44Å; L46-S50 PolarHBondContact O-OG 3.42Å; L47-S50 PolarHBondContact O-N 2.93Å; L47-S50 PolarHBondContact O-OG 3.06Å; L48-S50 VanDerWaalsContact C-N 3.31Å; L48-S50 PolarHBondContact O-N 3.35Å; S50-L53 PolarHBondContact O-N 2.96Å; S50-L54 WeakPolarHBondContact O-CB 3.44Å; S50-L54 VanDerWaalsContact O-CG 3.28Å; S50-L54 WeakPolarHBondContact O-CG 3.49Å; S50-L54 PolarHBondContact O-N 3.46Å |
| 51 | I | 95.9 | Very high | 96 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.108 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 175.3 | -69.1 | 166.6 | 0 | 0 | 0 | 110 | L47 L48 G55 V95 L296 V303 | L47-I51 WeakPolarHBondContact O-CG1 3.43Å; L47-I51 PolarHBondContact O-N 3.05Å; L48-I51 PolarHBondContact O-N 3.4Å; I51-G55 WeakPolarHBondContact O-CA 3.39Å; I51-G55 PolarHBondContact O-N 3.22Å; I51-V95 HydrophobicContact CG2-CG2 4.49Å; I51-L296 HydrophobicContact CD1-CD2 4.38Å; I51-V303 HydrophobicContact CG2-CG2 4.25Å |
| 52 | G | 95.7 | Very high | 96 | Very high | 10 Ų | 10 | 52.5 Ų | 52.5 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L48 G49 G55 V56 | L48-G52 PolarHBondContact O-N 3.32Å; G49-G52 PolarHBondContact O-N 3.11Å; G52-G55 PolarHBondContact O-N 3.09Å; G52-V56 WeakPolarHBondContact O-CB 3.5Å; G52-V56 VanDerWaalsContact O-CG2 3.29Å; G52-V56 WeakPolarHBondContact O-CG2 3.43Å; G52-V56 PolarHBondContact O-N 3.4Å |
| 53 | L | 96 | Very high | 96.1 | Very high | 133 Ų | 133 | 48.3 Ų | 48.3 | 70% | 0.696 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.4 | -47.8 | 179.2 | -177.9 | 64.9 | 0 | 0 | 0 | 112.2 | G49 S50 G57 | G49-L53 WeakPolarHBondContact O-CB 3.45Å; G49-L53 PolarHBondContact O-N 3.38Å; S50-L53 PolarHBondContact O-N 2.96Å; L53-G57 PolarHBondContact O-N 3.17Å |
| 54 | L | 96.3 | Very high | 96.1 | Very high | 89 Ų | 89 | 44.3 Ų | 44.3 | 47% | 0.466 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 177.3 | -70.3 | 174.5 | 0 | 0 | 0 | 111.5 | S50 N58 V303 | S50-L54 WeakPolarHBondContact O-CB 3.44Å; S50-L54 VanDerWaalsContact O-CG 3.28Å; S50-L54 WeakPolarHBondContact O-CG 3.49Å; S50-L54 PolarHBondContact O-N 3.46Å; L54-N58 WeakPolarHBondContact O-CB 3.43Å; L54-N58 VanDerWaalsContact O-CG 3.29Å; L54-N58 PolarHBondContact O-N 3.42Å; L54-N58 PolarHBondContact O-ND2 3.28Å; L54-V303 HydrophobicContact CB-CG1 3.99Å; L54-V303 HydrophobicContact CB-CG2 3.98Å; L54-V303 HydrophobicContact CD1-CG1 4.38Å |
| 55 | G | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.1 | -51.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I51 G52 N59 S91 | I51-G55 WeakPolarHBondContact O-CA 3.39Å; I51-G55 PolarHBondContact O-N 3.22Å; G52-G55 PolarHBondContact O-N 3.09Å; G55-N59 VanDerWaalsContact O-CB 3.23Å; G55-N59 WeakPolarHBondContact O-CB 3.3Å; G55-N59 PolarHBondContact O-N 3.32Å; G55-N59 VanDerWaalsContact O-N 3.1Å; G55-N59 PolarHBondContact O-ND2 3.49Å; G55-S91 WeakPolarHBondContact CA-OG 3.43Å |
| 56 | V | 97.1 | Very high | 96.1 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 24% | 0.242 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.5 | -51.9 | 175.7 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | G52 L60 L88 L92 | G52-V56 WeakPolarHBondContact O-CB 3.5Å; G52-V56 VanDerWaalsContact O-CG2 3.29Å; G52-V56 WeakPolarHBondContact O-CG2 3.43Å; G52-V56 PolarHBondContact O-N 3.4Å; V56-L60 WeakPolarHBondContact O-CB 3.33Å; V56-L60 PolarHBondContact O-N 2.87Å; V56-L88 HydrophobicContact CB-CD1 4.17Å; V56-L88 HydrophobicContact CG1-CD1 4.02Å; V56-L88 HydrophobicContact CG2-CD1 4.14Å; V56-L92 HydrophobicContact CG2-CD2 3.73Å; V56-L92 HydrophobicContact CG2-CG 4.11Å |
| 57 | G | 96.2 | Very high | 96.1 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 40% | 0.402 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.7 | -49.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L53 L61 | L53-G57 PolarHBondContact O-N 3.17Å; G57-L61 VanDerWaalsContact O-CB 3.28Å; G57-L61 WeakPolarHBondContact O-CB 3.49Å; G57-L61 PolarHBondContact O-N 2.9Å |
| 58 | N | 95.7 | Very high | 96 | Very high | 45 Ų | 45 | 48.3 Ų | 48.3 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.9 | -42.3 | -176.6 | -71 | -26.9 | 0 | 0 | 0 | 112.2 | L54 L61 V62 P306 | L54-N58 WeakPolarHBondContact O-CB 3.43Å; L54-N58 VanDerWaalsContact O-CG 3.29Å; L54-N58 PolarHBondContact O-N 3.42Å; L54-N58 PolarHBondContact O-ND2 3.28Å; N58-L61 WeakPolarHBondContact O-CB 3.41Å; N58-L61 PolarHBondContact O-N 3.34Å; N58-V62 WeakPolarHBondContact O-CG2 3.4Å; N58-V62 PolarHBondContact O-N 3.3Å; N58-P306 HydrophobicContact CB-CB 3.79Å; N58-P306 HydrophobicContact CB-CG 4.11Å |
| 59 | N | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.4 | -44.5 | 178.9 | -73.6 | -67.7 | 0 | 0 | 0 | 111.1 | G55 L61 V62 L63 S84 D87 L88 T302 P306 | G55-N59 VanDerWaalsContact O-CB 3.23Å; G55-N59 WeakPolarHBondContact O-CB 3.3Å; G55-N59 PolarHBondContact O-N 3.32Å; G55-N59 VanDerWaalsContact O-N 3.1Å; G55-N59 PolarHBondContact O-ND2 3.49Å; N59-L61 VanDerWaalsContact C-N 3.29Å; N59-L61 PolarHBondContact O-N 3.45Å; N59-V62 WeakPolarHBondContact O-CB 3.26Å; N59-V62 PolarHBondContact O-N 2.79Å; N59-L63 WeakPolarHBondContact O-CD1 3.35Å; N59-L63 PolarHBondContact O-N 2.93Å; N59-L63 VanDerWaalsContact O-N 3.11Å; N59-S84 WeakPolarHBondContact CB-O 3.45Å; N59-S84 VanDerWaalsContact OD1-CA 3.24Å; N59-S84 WeakPolarHBondContact OD1-CA 3.48Å; N59-S84 PolarHBondContact OD1-O 3.12Å; N59-D87 WeakPolarHBondContact OD1-CB 3.39Å; N59-L88 HydrophobicContact CB-CB 3.86Å; N59-T302 PolarHBondContact ND2-O 3.43Å; N59-P306 WeakPolarHBondContact OD1-CG 3.43Å |
| 60 | L | 97.1 | Very high | 95.8 | Very high | 86 Ų | 86 | 55 Ų | 55 | 45% | 0.45 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 175.1 | -176.8 | 61.9 | 0 | 0 | 0 | 111.9 | V56 V62 L63 V64 | V56-L60 WeakPolarHBondContact O-CB 3.33Å; V56-L60 PolarHBondContact O-N 2.87Å; L60-V62 VanDerWaalsContact C-N 3.27Å; L60-V62 PolarHBondContact O-N 3.5Å; L60-L63 PolarHBondContact O-N 3.38Å; L60-V64 HydrophobicContact CD1-CG2 4.45Å; L60-V64 HydrophobicContact CG-CG2 4.44Å; L60-V64 WeakPolarHBondContact O-CG2 3.48Å; L60-V64 PolarHBondContact O-N 3.09Å |
| 61 | L | 95.8 | Very high | 95.6 | Very high | 48 Ų | 48 | 57.1 Ų | 57.1 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56 | -43.3 | 174.4 | 174.5 | 63.4 | 0 | 0 | 0 | 111.4 | G57 N58 N59 V64 L65 L320 L323 | G57-L61 VanDerWaalsContact O-CB 3.28Å; G57-L61 WeakPolarHBondContact O-CB 3.49Å; G57-L61 PolarHBondContact O-N 2.9Å; N58-L61 WeakPolarHBondContact O-CB 3.41Å; N58-L61 PolarHBondContact O-N 3.34Å; N59-L61 VanDerWaalsContact C-N 3.29Å; N59-L61 PolarHBondContact O-N 3.45Å; L61-V64 PolarHBondContact O-N 3Å; L61-L65 HydrophobicContact CD1-CD1 4.28Å; L61-L65 HydrophobicContact CD1-CG 4.11Å; L61-L65 HydrophobicContact CG-CD1 4.16Å; L61-L65 HydrophobicContact CG-CG 4.39Å; L61-L65 WeakPolarHBondContact O-CB 3.48Å; L61-L65 VanDerWaalsContact O-CG 3.24Å; L61-L65 WeakPolarHBondContact O-CG 3.12Å; L61-L65 PolarHBondContact O-N 2.97Å; L61-L320 HydrophobicContact CD1-CD1 4.04Å; L61-L320 HydrophobicContact CD2-CD1 3.91Å; L61-L320 HydrophobicContact CG-CD1 4.45Å; L61-L323 HydrophobicContact CD1-CD2 4.18Å |
| 62 | V | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65 | -43.5 | 179.2 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | N58 N59 L60 V64 L65 Y66 S84 P306 Y309 V310 F316 | N58-V62 WeakPolarHBondContact O-CG2 3.4Å; N58-V62 PolarHBondContact O-N 3.3Å; N59-V62 WeakPolarHBondContact O-CB 3.26Å; N59-V62 PolarHBondContact O-N 2.79Å; L60-V62 VanDerWaalsContact C-N 3.27Å; L60-V62 PolarHBondContact O-N 3.5Å; V62-V64 PolarHBondContact O-N 3.19Å; V62-L65 PolarHBondContact O-N 3.46Å; V62-Y66 PolarHBondContact O-N 2.88Å; V62-S84 WeakPolarHBondContact CG1-OG 3.38Å; V62-P306 HydrophobicContact CG2-CB 4.12Å; V62-Y309 HydrophobicContact CB-CE2 4.07Å; V62-Y309 HydrophobicContact CG1-CE2 3.51Å; V62-Y309 HydrophobicContact CG2-CE2 3.44Å; V62-Y309 VanDerWaalsContact CG2-CE2 3.44Å; V62-Y309 WeakPolarHBondContact CG2-OH 3.33Å; V62-V310 HydrophobicContact CG2-CG2 3.75Å; V62-F316 HydrophobicContact CG1-CE1 3.94Å; V62-F316 HydrophobicContact CG1-CZ 4.32Å |
| 63 | L | 97.1 | Very high | 95.5 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 23% | 0.225 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 174.5 | -84 | 73.2 | 0 | 0 | 0 | 110.8 | N59 L60 L65 Y66 Y67 V81 L85 L88 | N59-L63 WeakPolarHBondContact O-CD1 3.35Å; N59-L63 PolarHBondContact O-N 2.93Å; N59-L63 VanDerWaalsContact O-N 3.11Å; L60-L63 PolarHBondContact O-N 3.38Å; L63-L65 PolarHBondContact O-N 3.39Å; L63-Y66 PolarHBondContact O-N 3.3Å; L63-Y67 WeakPolarHBondContact O-CB 3.41Å; L63-Y67 PolarHBondContact O-N 3.45Å; L63-V81 HydrophobicContact CG-CG1 4.43Å; L63-L85 HydrophobicContact CD2-CD1 4.29Å; L63-L88 HydrophobicContact CD2-CD2 4.17Å |
| 64 | V | 96.1 | Very high | 95.4 | Very high | 60 Ų | 60 | 56.1 Ų | 56.1 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 178.1 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | L60 L61 V62 Y67 K68 | L60-V64 HydrophobicContact CD1-CG2 4.45Å; L60-V64 HydrophobicContact CG-CG2 4.44Å; L60-V64 WeakPolarHBondContact O-CG2 3.48Å; L60-V64 PolarHBondContact O-N 3.09Å; L61-V64 PolarHBondContact O-N 3Å; V62-V64 PolarHBondContact O-N 3.19Å; V64-Y67 PolarHBondContact O-N 2.9Å; V64-K68 VanDerWaalsContact O-CB 3.23Å; V64-K68 WeakPolarHBondContact O-CB 3.25Å; V64-K68 PolarHBondContact O-N 3.39Å |
| 65 | L | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 177.5 | -72.4 | 178 | 0 | 0 | 0 | 110.9 | L61 V62 L63 K68 F69 L72 F316 L320 L323 | L61-L65 HydrophobicContact CD1-CD1 4.28Å; L61-L65 HydrophobicContact CD1-CG 4.11Å; L61-L65 HydrophobicContact CG-CD1 4.16Å; L61-L65 HydrophobicContact CG-CG 4.39Å; L61-L65 WeakPolarHBondContact O-CB 3.48Å; L61-L65 VanDerWaalsContact O-CG 3.24Å; L61-L65 WeakPolarHBondContact O-CG 3.12Å; L61-L65 PolarHBondContact O-N 2.97Å; V62-L65 PolarHBondContact O-N 3.46Å; L63-L65 PolarHBondContact O-N 3.39Å; L65-K68 PolarHBondContact O-N 2.69Å; L65-F69 HydrophobicContact CD2-CD2 3.95Å; L65-F69 HydrophobicContact CD2-CE2 3.66Å; L65-F69 WeakPolarHBondContact O-CB 3.4Å; L65-F69 WeakPolarHBondContact O-CD2 3.39Å; L65-F69 PolarHBondContact O-N 2.69Å; L65-L72 HydrophobicContact CB-CD1 3.92Å; L65-L72 WeakPolarHBondContact O-CD1 3.46Å; L65-F316 HydrophobicContact CB-CD1 4.4Å; L65-F316 HydrophobicContact CB-CE1 4.4Å; L65-F316 HydrophobicContact CD1-CD1 4.08Å; L65-L320 HydrophobicContact CD1-CB 4.24Å; L65-L323 HydrophobicContact CD2-CB 4.42Å; L65-L323 HydrophobicContact CD2-CD2 3.97Å |
| 66 | Y | 96.1 | Very high | 95.2 | Very high | 35 Ų | 35 | 53 Ų | 53 | 14% | 0.137 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 178.8 | -177.3 | -95.3 | 0 | 0 | 0 | 112.4 | V62 L63 L72 R73 H77 L78 V81 | V62-Y66 PolarHBondContact O-N 2.88Å; L63-Y66 PolarHBondContact O-N 3.3Å; Y66-L72 HydrophobicContact CD2-CB 4.34Å; Y66-L72 WeakPolarHBondContact CE2-O 3.39Å; Y66-R73 HydrophobicContact CE1-CG 4.49Å; Y66-R73 HydrophobicContact CE2-CG 4.47Å; Y66-H77 HydrophobicContact CD2-CB 4.19Å; Y66-H77 HydrophobicContact CE2-CB 3.97Å; Y66-L78 HydrophobicContact CE1-CD1 4.34Å; Y66-V81 HydrophobicContact CD1-CG2 3.98Å; Y66-V81 HydrophobicContact CD2-CG2 3.53Å; Y66-V81 HydrophobicContact CE2-CG2 4.15Å; Y66-V81 HydrophobicContact CG-CG2 3.43Å; Y66-V81 VanDerWaalsContact CG-CG2 3.43Å |
| 67 | Y | 95.4 | Very high | 95.1 | Very high | 181 Ų | 181 | 51.2 Ų | 51.2 | 71% | 0.71 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.4 | -49.9 | 177.9 | 177.3 | -105 | 0 | 0 | 0 | 111.7 | L63 V64 R73 | L63-Y67 WeakPolarHBondContact O-CB 3.41Å; L63-Y67 PolarHBondContact O-N 3.45Å; V64-Y67 PolarHBondContact O-N 2.9Å; Y67-R73 PolarHBondContact O-NH2 3.36Å |
| 68 | K | 94.5 | Very high | 95.1 | Very high | 107 Ų | 107 | 50 Ų | 50 | 47% | 0.465 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -73.6 | -36.2 | -172.6 | -173.2 | 170.9 | -177.9 | 170.8 | 0 | 113.8 | V64 L65 L323 | V64-K68 VanDerWaalsContact O-CB 3.23Å; V64-K68 WeakPolarHBondContact O-CB 3.25Å; V64-K68 PolarHBondContact O-N 3.39Å; L65-K68 PolarHBondContact O-N 2.69Å; K68-L323 HydrophobicContact CD-CD1 4.02Å |
| 69 | F | 94.5 | Very high | 95.2 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | trans | -107.1 | 104.5 | -171.7 | -65.9 | -82.1 | 0 | 0 | 0 | 112 | L65 R71 L72 S319 Q322 L323 | L65-F69 HydrophobicContact CD2-CD2 3.95Å; L65-F69 HydrophobicContact CD2-CE2 3.66Å; L65-F69 WeakPolarHBondContact O-CB 3.4Å; L65-F69 WeakPolarHBondContact O-CD2 3.39Å; L65-F69 PolarHBondContact O-N 2.69Å; F69-R71 HydrophobicContact CB-CG 4.31Å; F69-R71 PolarHBondContact O-N 2.85Å; F69-R71 VanDerWaalsContact O-N 3.09Å; F69-L72 HydrophobicContact CB-CD1 4.12Å; F69-L72 HydrophobicContact CB-CG 4.25Å; F69-L72 WeakPolarHBondContact O-CB 3.44Å; F69-L72 PolarHBondContact O-N 2.8Å; F69-S319 WeakPolarHBondContact CE2-O 3.49Å; F69-S319 VanDerWaalsContact CZ-O 3.27Å; F69-S319 WeakPolarHBondContact CZ-O 3.34Å; F69-Q322 HydrophobicContact CE1-CB 4.15Å; F69-Q322 HydrophobicContact CE1-CG 3.99Å; F69-Q322 HydrophobicContact CZ-CB 4.21Å; F69-Q322 HydrophobicContact CZ-CG 4.32Å; F69-L323 HydrophobicContact CE2-CB 4.25Å; F69-L323 HydrophobicContact CZ-CB 4.23Å | ||
| 70 | Q | 91.9 | Very high | 95.1 | Very high | 148 Ų | 148 | 47.8 Ų | 47.8 | 69% | 0.692 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -53.1 | -34.8 | 179.3 | -69.4 | 179.4 | -18.1 | 0 | 0 | 113.6 | L72 R73 | Q70-L72 PolarHBondContact O-N 3.43Å; Q70-R73 WeakPolarHBondContact O-CB 3.3Å; Q70-R73 PolarHBondContact O-N 2.96Å |
| 71 | R | 91.4 | Very high | 95.1 | Very high | 97 Ų | 97 | 44.7 Ų | 44.7 | 37% | 0.366 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -60.8 | -17.7 | 176.9 | 68.6 | 174.4 | 176 | -151.4 | -13.7 | 115 | F69 R318 S319 | F69-R71 HydrophobicContact CB-CG 4.31Å; F69-R71 PolarHBondContact O-N 2.85Å; F69-R71 VanDerWaalsContact O-N 3.09Å; R71-R318 PolarHBondContact NH2-O 3.37Å; R71-R318 VanDerWaalsContact NH2-O 3.15Å; R71-S319 VanDerWaalsContact CZ-OG 3.32Å; R71-S319 PolarHBondContact NE-OG 3.12Å; R71-S319 PolarHBondContact NH2-OG 2.95Å |
| 72 | L | 93 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -88.6 | -11.1 | 176.3 | -69.1 | 177.6 | 0 | 0 | 0 | 112.6 | L65 Y66 F69 Q70 T74 H77 K315 F316 | L65-L72 HydrophobicContact CB-CD1 3.92Å; L65-L72 WeakPolarHBondContact O-CD1 3.46Å; Y66-L72 HydrophobicContact CD2-CB 4.34Å; Y66-L72 WeakPolarHBondContact CE2-O 3.39Å; F69-L72 HydrophobicContact CB-CD1 4.12Å; F69-L72 HydrophobicContact CB-CG 4.25Å; F69-L72 WeakPolarHBondContact O-CB 3.44Å; F69-L72 PolarHBondContact O-N 2.8Å; Q70-L72 PolarHBondContact O-N 3.43Å; L72-T74 VanDerWaalsContact C-N 3.33Å; L72-T74 PolarHBondContact O-N 3.36Å; L72-H77 WeakPolarHBondContact O-CB 3.41Å; L72-H77 PolarHBondContact O-ND1 3.33Å; L72-K315 HydrophobicContact CD2-CB 3.57Å; L72-F316 HydrophobicContact CD1-CD1 3.87Å; L72-F316 HydrophobicContact CD1-CE1 3.85Å; L72-F316 HydrophobicContact CD1-CG 4.42Å; L72-F316 HydrophobicContact CD1-CZ 4.39Å; L72-F316 HydrophobicContact CD2-CD1 4.21Å; L72-F316 HydrophobicContact CD2-CD2 3.84Å; L72-F316 HydrophobicContact CD2-CE1 4.34Å; L72-F316 HydrophobicContact CD2-CE2 4.01Å; L72-F316 HydrophobicContact CD2-CG 3.96Å; L72-F316 HydrophobicContact CD2-CZ 4.26Å |
| 73 | R | 94.8 | Very high | 95.2 | Very high | 111 Ų | 111 | 42.8 Ų | 42.8 | 42% | 0.419 | 19% | 0.193 | S | C | . | . | trans | -77.1 | 85 | -178.7 | -59.3 | 179.5 | -172.3 | 175.6 | -1.1 | 109.8 | Y66 Y67 Q70 F151 | Y66-R73 HydrophobicContact CE1-CG 4.49Å; Y66-R73 HydrophobicContact CE2-CG 4.47Å; Y67-R73 PolarHBondContact O-NH2 3.36Å; Q70-R73 WeakPolarHBondContact O-CB 3.3Å; Q70-R73 PolarHBondContact O-N 2.96Å; R73-F151 HydrophobicContact CB-CZ 4.36Å; R73-F151 WeakPolarHBondContact O-CZ 3Å | ||
| 74 | T | 94.3 | Very high | 95.2 | Very high | 33 Ų | 33 | 40.7 Ų | 40.7 | 20% | 0.202 | 18% | 0.182 | C | C | . | . | trans | -125 | 156.3 | 170.2 | 68.9 | 0 | 0 | 0 | 0 | 109.8 | L72 T76 H77 L78 | L72-T74 VanDerWaalsContact C-N 3.33Å; L72-T74 PolarHBondContact O-N 3.36Å; T74-T76 VanDerWaalsContact C-N 3.28Å; T74-T76 PolarHBondContact O-N 3.14Å; T74-H77 PolarHBondContact O-N 2.93Å; T74-H77 VanDerWaalsContact O-N 3.12Å; T74-H77 WeakPolarHBondContact OG1-CB 3.3Å; T74-H77 PolarHBondContact OG1-N 3.43Å; T74-H77 PolarHBondContact OG1-ND1 2.95Å; T74-L78 PolarHBondContact O-N 3.4Å | ||
| 75 | P | 94.8 | Very high | 95.3 | Very high | 14 Ų | 14 | 40.9 Ų | 40.9 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.9 | -38.6 | 178.2 | -29.6 | 38.6 | 0 | 0 | 0 | 113.5 | L78 L79 I149 N150 F151 A154 | P75-L78 WeakPolarHBondContact O-CB 3.36Å; P75-L78 PolarHBondContact O-N 2.63Å; P75-L79 PolarHBondContact O-N 3.5Å; P75-I149 HydrophobicContact CB-CG2 4.1Å; P75-I149 WeakPolarHBondContact CG-O 3.32Å; P75-N150 VanDerWaalsContact CG-C 3.46Å; P75-F151 HydrophobicContact CG-CD1 4.28Å; P75-F151 HydrophobicContact CG-CD2 4.18Å; P75-F151 HydrophobicContact CG-CE1 4.46Å; P75-F151 HydrophobicContact CG-CE2 4.35Å; P75-F151 HydrophobicContact CG-CG 4.16Å; P75-A154 HydrophobicContact CB-CB 4Å |
| 76 | T | 93.6 | Very high | 95.4 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -47.4 | 174.4 | -48 | 0 | 0 | 0 | 0 | 111.9 | T74 L78 L79 L80 L135 E138 R139 | T74-T76 VanDerWaalsContact C-N 3.28Å; T74-T76 PolarHBondContact O-N 3.14Å; T76-L78 PolarHBondContact O-N 3.37Å; T76-L79 WeakPolarHBondContact O-CB 3.35Å; T76-L79 PolarHBondContact O-N 3.07Å; T76-L80 PolarHBondContact O-N 2.94Å; T76-L135 HydrophobicContact CG2-CD2 4.07Å; T76-E138 PolarHBondContact OG1-OE1 2.93Å; T76-R139 PolarHBondContact OG1-NH2 3.12Å |
| 77 | H | 95.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.6 | -26.2 | -178.1 | -67.5 | 173.3 | 0 | 0 | 0 | 111.4 | Y66 L72 T74 L79 L80 V81 F316 | Y66-H77 HydrophobicContact CD2-CB 4.19Å; Y66-H77 HydrophobicContact CE2-CB 3.97Å; L72-H77 WeakPolarHBondContact O-CB 3.41Å; L72-H77 PolarHBondContact O-ND1 3.33Å; T74-H77 PolarHBondContact O-N 2.93Å; T74-H77 VanDerWaalsContact O-N 3.12Å; T74-H77 WeakPolarHBondContact OG1-CB 3.3Å; T74-H77 PolarHBondContact OG1-N 3.43Å; T74-H77 PolarHBondContact OG1-ND1 2.95Å; H77-L79 VanDerWaalsContact C-N 3.33Å; H77-L80 PolarHBondContact O-N 2.99Å; H77-V81 VanDerWaalsContact O-CG2 3.24Å; H77-V81 WeakPolarHBondContact O-CG2 3.39Å; H77-V81 PolarHBondContact O-N 2.87Å; H77-F316 HydrophobicContact CB-CE2 4.48Å; H77-F316 AromaticContact CD2-CE2 3.96Å; H77-F316 AromaticContact CG-CE2 3.92Å; H77-F316 AromaticContact ND1-CE2 3.99Å |
| 78 | L | 96.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.063 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 171.1 | -175 | 62.3 | 0 | 0 | 0 | 111.9 | Y66 T74 P75 T76 V81 N82 F151 A154 W155 I158 | Y66-L78 HydrophobicContact CE1-CD1 4.34Å; T74-L78 PolarHBondContact O-N 3.4Å; P75-L78 WeakPolarHBondContact O-CB 3.36Å; P75-L78 PolarHBondContact O-N 2.63Å; T76-L78 PolarHBondContact O-N 3.37Å; L78-V81 PolarHBondContact O-N 3Å; L78-N82 PolarHBondContact O-N 2.94Å; L78-F151 HydrophobicContact CD2-CD1 4.22Å; L78-A154 HydrophobicContact CD2-CB 4.03Å; L78-W155 HydrophobicContact CD1-CZ2 4.27Å; L78-W155 HydrophobicContact CD2-CD2 4.1Å; L78-W155 HydrophobicContact CD2-CG 4.31Å; L78-W155 HydrophobicContact CD2-CZ2 4.2Å; L78-I158 HydrophobicContact CD1-CD1 4.45Å; L78-I158 HydrophobicContact CD2-CD1 4.07Å; L78-I158 HydrophobicContact CG-CD1 3.74Å |
| 79 | L | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.6 | -37.3 | 172.7 | -65.3 | 174.6 | 0 | 0 | 0 | 112.4 | P75 T76 H77 V81 N82 I83 T131 V134 L135 W153 I158 I161 | P75-L79 PolarHBondContact O-N 3.5Å; T76-L79 WeakPolarHBondContact O-CB 3.35Å; T76-L79 PolarHBondContact O-N 3.07Å; H77-L79 VanDerWaalsContact C-N 3.33Å; L79-V81 VanDerWaalsContact C-N 3.31Å; L79-V81 PolarHBondContact O-N 3.13Å; L79-N82 WeakPolarHBondContact O-CB 3.42Å; L79-N82 PolarHBondContact O-N 3.23Å; L79-I83 PolarHBondContact O-N 2.91Å; L79-I83 VanDerWaalsContact O-N 3.12Å; L79-T131 HydrophobicContact CB-CG2 4.21Å; L79-T131 HydrophobicContact CD2-CG2 4.47Å; L79-T131 WeakPolarHBondContact O-CG2 3.43Å; L79-V134 HydrophobicContact CD1-CG1 3.93Å; L79-V134 HydrophobicContact CD2-CG1 4.08Å; L79-L135 HydrophobicContact CB-CD2 3.71Å; L79-L135 HydrophobicContact CB-CG 4.03Å; L79-L135 HydrophobicContact CD1-CD2 3.71Å; L79-L135 HydrophobicContact CD1-CG 4.08Å; L79-L135 HydrophobicContact CG-CD2 4.39Å; L79-W153 HydrophobicContact CD1-CZ3 4.12Å; L79-I158 HydrophobicContact CD2-CD1 4.34Å; L79-I158 HydrophobicContact CD2-CG1 3.87Å; L79-I161 HydrophobicContact CD2-CD1 4.48Å |
| 80 | L | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.4 | -38.5 | 174 | -61.1 | 177.3 | 0 | 0 | 0 | 111.6 | T76 H77 N82 I83 S84 L135 M256 M260 Y309 I313 F316 | T76-L80 PolarHBondContact O-N 2.94Å; H77-L80 PolarHBondContact O-N 2.99Å; L80-N82 VanDerWaalsContact C-N 3.31Å; L80-I83 WeakPolarHBondContact O-CB 3.19Å; L80-I83 PolarHBondContact O-N 3.27Å; L80-S84 PolarHBondContact O-N 2.93Å; L80-S84 PolarHBondContact O-OG 3.2Å; L80-L135 HydrophobicContact CD2-CD1 3.89Å; L80-L135 HydrophobicContact CD2-CD2 4.39Å; L80-M256 HydrophobicContact CD1-CE 4.42Å; L80-M256 HydrophobicContact CD2-CE 4.1Å; L80-M260 HydrophobicContact CD2-CE 4Å; L80-M260 HydrophobicContact CD2-SD 4.1Å; L80-Y309 HydrophobicContact CD1-CG 4.25Å; L80-Y309 HydrophobicContact CD2-CD1 4.22Å; L80-I313 HydrophobicContact CD1-CD1 3.46Å; L80-I313 VanDerWaalsContact CD1-CD1 3.46Å; L80-F316 HydrophobicContact CD1-CE2 4.36Å |
| 81 | V | 96.9 | Very high | 95.7 | Very high | 20 Ų | 20 | 21 Ų | 21 | 12% | 0.121 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.1 | -34.6 | 173.9 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | L63 Y66 H77 L78 L79 I83 S84 L85 | L63-V81 HydrophobicContact CG-CG1 4.43Å; Y66-V81 HydrophobicContact CD1-CG2 3.98Å; Y66-V81 HydrophobicContact CD2-CG2 3.53Å; Y66-V81 HydrophobicContact CE2-CG2 4.15Å; Y66-V81 HydrophobicContact CG-CG2 3.43Å; Y66-V81 VanDerWaalsContact CG-CG2 3.43Å; H77-V81 VanDerWaalsContact O-CG2 3.24Å; H77-V81 WeakPolarHBondContact O-CG2 3.39Å; H77-V81 PolarHBondContact O-N 2.87Å; L78-V81 PolarHBondContact O-N 3Å; L79-V81 VanDerWaalsContact C-N 3.31Å; L79-V81 PolarHBondContact O-N 3.13Å; V81-I83 VanDerWaalsContact C-N 3.35Å; V81-S84 WeakPolarHBondContact O-CB 3.2Å; V81-S84 PolarHBondContact O-N 3.14Å; V81-L85 WeakPolarHBondContact O-CB 3.46Å; V81-L85 PolarHBondContact O-N 3.35Å |
| 82 | N | 97.9 | Very high | 95.8 | Very high | 8 Ų | 8 | 20 Ų | 20 | 4% | 0.043 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 172.7 | -169.7 | 66.7 | 0 | 0 | 0 | 111.7 | L78 L79 L80 L85 S86 T131 I158 W162 | L78-N82 PolarHBondContact O-N 2.94Å; L79-N82 WeakPolarHBondContact O-CB 3.42Å; L79-N82 PolarHBondContact O-N 3.23Å; L80-N82 VanDerWaalsContact C-N 3.31Å; N82-L85 PolarHBondContact O-N 3.26Å; N82-S86 PolarHBondContact O-N 3.48Å; N82-T131 HydrophobicContact CB-CG2 4.43Å; N82-T131 PolarHBondContact ND2-OG1 3.36Å; N82-I158 HydrophobicContact CB-CD1 4.17Å; N82-I158 HydrophobicContact CB-CG1 4.25Å; N82-W162 PolarHBondContact OD1-NE1 2.76Å |
| 83 | I | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.4 | -48.4 | 171.5 | -67.3 | 177.5 | 0 | 0 | 0 | 110.1 | L79 L80 V81 L85 S86 D87 T131 L132 L135 M260 N305 | L79-I83 PolarHBondContact O-N 2.91Å; L79-I83 VanDerWaalsContact O-N 3.12Å; L80-I83 WeakPolarHBondContact O-CB 3.19Å; L80-I83 PolarHBondContact O-N 3.27Å; V81-I83 VanDerWaalsContact C-N 3.35Å; I83-L85 VanDerWaalsContact C-N 3.28Å; I83-L85 PolarHBondContact O-N 3.38Å; I83-S86 WeakPolarHBondContact O-CB 3.49Å; I83-S86 PolarHBondContact O-N 3.43Å; I83-D87 WeakPolarHBondContact CG2-OD2 3.49Å; I83-D87 WeakPolarHBondContact O-CB 3.36Å; I83-D87 PolarHBondContact O-N 3.27Å; I83-T131 HydrophobicContact CD1-CG2 3.91Å; I83-T131 HydrophobicContact CG1-CG2 3.5Å; I83-T131 VanDerWaalsContact CG1-CG2 3.5Å; I83-L132 HydrophobicContact CD1-CD2 3.79Å; I83-L132 HydrophobicContact CD1-CG 4.18Å; I83-L135 HydrophobicContact CD1-CD1 3.62Å; I83-M260 HydrophobicContact CD1-CE 3.65Å; I83-N305 HydrophobicContact CG2-CB 4.03Å; I83-N305 WeakPolarHBondContact CG2-ND2 3.33Å |
| 84 | S | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.3 | -39.1 | -180 | -46.5 | 0 | 0 | 0 | 0 | 113.1 | N59 V62 L80 V81 L88 Y309 | N59-S84 WeakPolarHBondContact CB-O 3.45Å; N59-S84 VanDerWaalsContact OD1-CA 3.24Å; N59-S84 WeakPolarHBondContact OD1-CA 3.48Å; N59-S84 PolarHBondContact OD1-O 3.12Å; V62-S84 WeakPolarHBondContact CG1-OG 3.38Å; L80-S84 PolarHBondContact O-N 2.93Å; L80-S84 PolarHBondContact O-OG 3.2Å; V81-S84 WeakPolarHBondContact O-CB 3.2Å; V81-S84 PolarHBondContact O-N 3.14Å; S84-L88 WeakPolarHBondContact O-CB 3.28Å; S84-L88 PolarHBondContact O-N 3.42Å; S84-Y309 PolarHBondContact OG-OH 3.46Å |
| 85 | L | 97.7 | Very high | 94.7 | Very high | 64 Ų | 64 | 16.9 Ų | 16.9 | 34% | 0.335 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -64.1 | -47.1 | 177.2 | 178.3 | 62.5 | 0 | 0 | 0 | 110.3 | L63 V81 N82 I83 L88 L89 W162 | L63-L85 HydrophobicContact CD2-CD1 4.29Å; V81-L85 WeakPolarHBondContact O-CB 3.46Å; V81-L85 PolarHBondContact O-N 3.35Å; N82-L85 PolarHBondContact O-N 3.26Å; I83-L85 VanDerWaalsContact C-N 3.28Å; I83-L85 PolarHBondContact O-N 3.38Å; L85-L88 WeakPolarHBondContact O-CB 3.27Å; L85-L88 PolarHBondContact O-N 3.44Å; L85-L89 HydrophobicContact CD1-CD1 4.27Å; L85-L89 HydrophobicContact CD1-CG 4.48Å; L85-L89 HydrophobicContact CG-CD1 4.15Å; L85-L89 WeakPolarHBondContact O-CG 3.46Å; L85-L89 PolarHBondContact O-N 2.86Å; L85-W162 HydrophobicContact CD2-CZ2 4.36Å |
| 86 | S | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59 | -49.2 | 176.2 | -162.7 | 0 | 0 | 0 | 0 | 112 | N82 I83 L88 L89 V90 F124 V127 | N82-S86 PolarHBondContact O-N 3.48Å; I83-S86 WeakPolarHBondContact O-CB 3.49Å; I83-S86 PolarHBondContact O-N 3.43Å; S86-L88 VanDerWaalsContact C-N 3.32Å; S86-L88 PolarHBondContact O-N 2.95Å; S86-L89 PolarHBondContact O-N 2.95Å; S86-L89 VanDerWaalsContact O-N 3.12Å; S86-V90 WeakPolarHBondContact O-CG2 3.36Å; S86-V90 PolarHBondContact O-N 3.36Å; S86-F124 WeakPolarHBondContact OG-CA 3.42Å; S86-F124 WeakPolarHBondContact OG-CB 3.4Å; S86-F124 PolarHBondContact OG-O 2.85Å; S86-V127 WeakPolarHBondContact OG-CG1 3.37Å |
| 87 | D | 96.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.6 | -33.4 | -178.9 | -72 | -13.8 | 0 | 0 | 0 | 112.1 | N59 I83 S91 T302 N305 | N59-D87 WeakPolarHBondContact OD1-CB 3.39Å; I83-D87 WeakPolarHBondContact CG2-OD2 3.49Å; I83-D87 WeakPolarHBondContact O-CB 3.36Å; I83-D87 PolarHBondContact O-N 3.27Å; D87-S91 WeakPolarHBondContact O-CB 3.24Å; D87-S91 PolarHBondContact O-N 2.98Å; D87-S91 PolarHBondContact O-OG 3.48Å; D87-T302 HydrophobicContact CB-CG2 4.03Å; D87-N305 WeakPolarHBondContact OD2-CB 3.26Å; D87-N305 PolarHBondContact OD2-ND2 3.26Å |
| 88 | L | 97.1 | Very high | 94.3 | Very high | 18 Ų | 18 | 20 Ų | 20 | 9% | 0.094 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 170.5 | 176.7 | 62.1 | 0 | 0 | 0 | 111 | V56 N59 L63 S84 L85 S86 S91 L92 | V56-L88 HydrophobicContact CB-CD1 4.17Å; V56-L88 HydrophobicContact CG1-CD1 4.02Å; V56-L88 HydrophobicContact CG2-CD1 4.14Å; N59-L88 HydrophobicContact CB-CB 3.86Å; L63-L88 HydrophobicContact CD2-CD2 4.17Å; S84-L88 WeakPolarHBondContact O-CB 3.28Å; S84-L88 PolarHBondContact O-N 3.42Å; L85-L88 WeakPolarHBondContact O-CB 3.27Å; L85-L88 PolarHBondContact O-N 3.44Å; S86-L88 VanDerWaalsContact C-N 3.32Å; S86-L88 PolarHBondContact O-N 2.95Å; L88-S91 WeakPolarHBondContact O-CB 3.45Å; L88-S91 PolarHBondContact O-N 3.46Å; L88-S91 VanDerWaalsContact O-N 3.12Å; L88-L92 HydrophobicContact CD1-CD1 4.07Å; L88-L92 HydrophobicContact CD1-CG 4.18Å; L88-L92 HydrophobicContact CG-CD1 3.97Å; L88-L92 HydrophobicContact CG-CG 4.45Å; L88-L92 WeakPolarHBondContact O-CG 3.18Å; L88-L92 PolarHBondContact O-N 2.98Å |
| 89 | L | 95.9 | Very high | 94.2 | Very high | 34 Ų | 34 | 22.5 Ų | 22.5 | 18% | 0.178 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.8 | -37.2 | -179.9 | -63.5 | 165.7 | 0 | 0 | 0 | 111.6 | L85 S86 S91 L92 F93 F124 W162 | L85-L89 HydrophobicContact CD1-CD1 4.27Å; L85-L89 HydrophobicContact CD1-CG 4.48Å; L85-L89 HydrophobicContact CG-CD1 4.15Å; L85-L89 WeakPolarHBondContact O-CG 3.46Å; L85-L89 PolarHBondContact O-N 2.86Å; S86-L89 PolarHBondContact O-N 2.95Å; S86-L89 VanDerWaalsContact O-N 3.12Å; L89-S91 VanDerWaalsContact C-N 3.29Å; L89-S91 PolarHBondContact O-N 2.91Å; L89-L92 PolarHBondContact O-N 3.31Å; L89-F93 HydrophobicContact CB-CD2 4.26Å; L89-F93 HydrophobicContact CD2-CD2 4.22Å; L89-F93 HydrophobicContact CD2-CE2 3.64Å; L89-F93 WeakPolarHBondContact O-CB 3.39Å; L89-F93 WeakPolarHBondContact O-CD2 3.34Å; L89-F93 PolarHBondContact O-N 3.46Å; L89-F124 HydrophobicContact CB-CD1 4.16Å; L89-F124 HydrophobicContact CB-CD2 3.83Å; L89-F124 HydrophobicContact CB-CE1 3.87Å; L89-F124 HydrophobicContact CB-CE2 3.49Å; L89-F124 VanDerWaalsContact CB-CE2 3.49Å; L89-F124 HydrophobicContact CB-CG 4.18Å; L89-F124 HydrophobicContact CB-CZ 3.53Å; L89-F124 HydrophobicContact CD1-CD1 4.12Å; L89-F124 HydrophobicContact CD1-CE1 3.46Å; L89-F124 VanDerWaalsContact CD1-CE1 3.46Å; L89-F124 HydrophobicContact CD1-CZ 3.72Å; L89-F124 HydrophobicContact CG-CE1 4.28Å; L89-F124 HydrophobicContact CG-CZ 4.14Å; L89-W162 HydrophobicContact CD1-CH2 4.11Å |
| 90 | V | 94.4 | Very high | 94.1 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 7% | 0.073 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -59.3 | -42.1 | 169.6 | 175 | 0 | 0 | 0 | 0 | 111.4 | S86 G94 V95 F124 K299 T302 | S86-V90 WeakPolarHBondContact O-CG2 3.36Å; S86-V90 PolarHBondContact O-N 3.36Å; V90-G94 WeakPolarHBondContact O-CA 3.17Å; V90-G94 PolarHBondContact O-N 3.03Å; V90-V95 PolarHBondContact O-N 3.38Å; V90-F124 HydrophobicContact CG2-CB 3.31Å; V90-F124 HydrophobicContact CG2-CD2 4.06Å; V90-F124 HydrophobicContact CG2-CG 4.08Å; V90-K299 HydrophobicContact CG1-CD 4.11Å; V90-T302 HydrophobicContact CB-CG2 3.83Å; V90-T302 HydrophobicContact CG1-CG2 3.66Å; V90-T302 HydrophobicContact CG2-CG2 4.49Å |
| 91 | S | 95 | Very high | 94 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -71.6 | -32.7 | -178 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | G55 D87 L88 L89 | G55-S91 WeakPolarHBondContact CA-OG 3.43Å; D87-S91 WeakPolarHBondContact O-CB 3.24Å; D87-S91 PolarHBondContact O-N 2.98Å; D87-S91 PolarHBondContact O-OG 3.48Å; L88-S91 WeakPolarHBondContact O-CB 3.45Å; L88-S91 PolarHBondContact O-N 3.46Å; L88-S91 VanDerWaalsContact O-N 3.12Å; L89-S91 VanDerWaalsContact C-N 3.29Å; L89-S91 PolarHBondContact O-N 2.91Å |
| 92 | L | 92.7 | Very high | 93.9 | Very high | 75 Ų | 75 | 23.6 Ų | 23.6 | 39% | 0.393 | 12% | 0.122 | S | C | . | . | I | π-helix | trans | -79.3 | -44.1 | 178.4 | -72.4 | 174 | 0 | 0 | 0 | 112.6 | V56 L88 L89 T96 | V56-L92 HydrophobicContact CG2-CD2 3.73Å; V56-L92 HydrophobicContact CG2-CG 4.11Å; L88-L92 HydrophobicContact CD1-CD1 4.07Å; L88-L92 HydrophobicContact CD1-CG 4.18Å; L88-L92 HydrophobicContact CG-CD1 3.97Å; L88-L92 HydrophobicContact CG-CG 4.45Å; L88-L92 WeakPolarHBondContact O-CG 3.18Å; L88-L92 PolarHBondContact O-N 2.98Å; L89-L92 PolarHBondContact O-N 3.31Å; L92-T96 WeakPolarHBondContact O-CB 3.41Å; L92-T96 PolarHBondContact O-OG1 3.19Å |
| 93 | F | 87.8 | Confident | 93.7 | Very high | 75 Ų | 75 | 28.1 Ų | 28.1 | 33% | 0.329 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -98.3 | -59.8 | -174.1 | -59.7 | -60.2 | 0 | 0 | 0 | 111.4 | L89 F97 F124 | L89-F93 HydrophobicContact CB-CD2 4.26Å; L89-F93 HydrophobicContact CD2-CD2 4.22Å; L89-F93 HydrophobicContact CD2-CE2 3.64Å; L89-F93 WeakPolarHBondContact O-CB 3.39Å; L89-F93 WeakPolarHBondContact O-CD2 3.34Å; L89-F93 PolarHBondContact O-N 3.46Å; F93-F97 WeakPolarHBondContact O-CD2 3.27Å; F93-F97 PolarHBondContact O-N 3.4Å; F93-F124 HydrophobicContact CD2-CE2 4.31Å |
| 94 | G | 81.7 | Confident | 93.6 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -66.1 | -46.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V90 T98 | V90-G94 WeakPolarHBondContact O-CA 3.17Å; V90-G94 PolarHBondContact O-N 3.03Å; G94-T98 PolarHBondContact O-OG1 2.96Å |
| 95 | V | 89.6 | Confident | 93.5 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71 | -34.1 | -177.5 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | L48 I51 V90 F99 K299 | L48-V95 HydrophobicContact CB-CG1 4.24Å; L48-V95 HydrophobicContact CD2-CG1 4.17Å; L48-V95 WeakPolarHBondContact O-CG1 3.31Å; I51-V95 HydrophobicContact CG2-CG2 4.49Å; V90-V95 PolarHBondContact O-N 3.38Å; V95-F99 VanDerWaalsContact O-CB 3.25Å; V95-F99 WeakPolarHBondContact O-CB 3.39Å; V95-F99 PolarHBondContact O-N 3.03Å; V95-K299 HydrophobicContact CG2-CB 4.48Å; V95-K299 HydrophobicContact CG2-CD 4.38Å |
| 96 | T | 90.3 | Very high | 93.2 | Very high | 59 Ų | 59 | 38 Ų | 38 | 36% | 0.362 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65 | -41.5 | -178.2 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | L92 F99 V100 | L92-T96 WeakPolarHBondContact O-CB 3.41Å; L92-T96 PolarHBondContact O-OG1 3.19Å; T96-F99 PolarHBondContact O-N 3.42Å; T96-V100 WeakPolarHBondContact O-CG2 3.36Å; T96-V100 PolarHBondContact O-N 3.09Å |
| 97 | F | 92.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 40.4 Ų | 40.4 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | -179.5 | -82 | -118.3 | 0 | 0 | 0 | 111.4 | F93 S101 W107 W109 W116 D117 | F93-F97 WeakPolarHBondContact O-CD2 3.27Å; F93-F97 PolarHBondContact O-N 3.4Å; F97-S101 WeakPolarHBondContact O-CB 3.37Å; F97-S101 PolarHBondContact O-N 2.78Å; F97-S101 VanDerWaalsContact O-N 3.07Å; F97-S101 PolarHBondContact O-OG 3.49Å; F97-W107 HydrophobicContact CB-CH2 4.27Å; F97-W107 HydrophobicContact CB-CZ3 4.38Å; F97-W107 HydrophobicContact CD1-CH2 4.15Å; F97-W109 HydrophobicContact CB-CZ2 4.49Å; F97-W109 AromaticContact CD1-CD1 3.87Å; F97-W109 AromaticContact CD1-CD2 3.65Å; F97-W109 HydrophobicContact CD1-CD2 3.65Å; F97-W109 AromaticContact CD1-CE2 3.62Å; F97-W109 HydrophobicContact CD1-CE3 4.21Å; F97-W109 AromaticContact CD1-CG 3.8Å; F97-W109 HydrophobicContact CD1-CG 3.8Å; F97-W109 HydrophobicContact CD1-CZ2 4.14Å; F97-W109 AromaticContact CD1-NE1 3.76Å; F97-W109 AromaticContact CE1-CD2 3.9Å; F97-W109 HydrophobicContact CE1-CD2 3.9Å; F97-W109 AromaticContact CE1-CE3 4Å; F97-W109 HydrophobicContact CE1-CE3 4Å; F97-W109 HydrophobicContact CE1-CG 4.27Å; F97-W109 HydrophobicContact CE1-CZ3 4.38Å; F97-W109 HydrophobicContact CG-CD2 4.44Å; F97-W109 AromaticContact CG-CE2 3.96Å; F97-W109 HydrophobicContact CG-CZ2 4.16Å; F97-W109 PolarHBondContact O-NE1 2.9Å; F97-W116 AromaticContact CZ-CD1 3.85Å; F97-D117 HydrophobicContact CB-CB 4.49Å; F97-D117 HydrophobicContact CD1-CB 4.29Å; F97-D117 HydrophobicContact CG-CB 4.48Å |
| 98 | T | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 174.7 | -46.7 | 0 | 0 | 0 | 0 | 111.4 | L48 G94 V100 S101 C102 L186 Y295 | L48-T98 HydrophobicContact CD1-CG2 3.4Å; L48-T98 VanDerWaalsContact CD1-CG2 3.4Å; L48-T98 HydrophobicContact CD2-CG2 4.35Å; G94-T98 PolarHBondContact O-OG1 2.96Å; T98-V100 PolarHBondContact O-N 3.16Å; T98-S101 WeakPolarHBondContact O-CB 3.4Å; T98-S101 PolarHBondContact O-N 3.46Å; T98-C102 PolarHBondContact O-N 3.37Å; T98-C102 PolarHBondContact O-SG 2.8Å; T98-L186 WeakPolarHBondContact CA-O 3.44Å; T98-L186 HydrophobicContact CG2-CB 3.91Å; T98-L186 WeakPolarHBondContact CG2-O 3.31Å; T98-L186 PolarHBondContact OG1-O 3.07Å; T98-Y295 HydrophobicContact CG2-CE1 3.87Å; T98-Y295 PolarHBondContact OG1-OH 2.93Å |
| 99 | F | 95.1 | Very high | 92.8 | Very high | 65 Ų | 65 | 46.9 Ų | 46.9 | 29% | 0.285 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.5 | -48.6 | 177.8 | 171.2 | -103 | 0 | 0 | 0 | 112.3 | A45 L48 V95 T96 S101 C102 L103 | A45-F99 HydrophobicContact CB-CD2 4.25Å; A45-F99 HydrophobicContact CB-CE2 4.11Å; A45-F99 VanDerWaalsContact O-CD2 3.27Å; A45-F99 WeakPolarHBondContact O-CD2 3.01Å; A45-F99 VanDerWaalsContact O-CE2 3.3Å; A45-F99 WeakPolarHBondContact O-CE2 3.44Å; L48-F99 HydrophobicContact CB-CB 4.47Å; V95-F99 VanDerWaalsContact O-CB 3.25Å; V95-F99 WeakPolarHBondContact O-CB 3.39Å; V95-F99 PolarHBondContact O-N 3.03Å; T96-F99 PolarHBondContact O-N 3.42Å; F99-S101 VanDerWaalsContact C-N 3.31Å; F99-S101 PolarHBondContact O-N 2.85Å; F99-C102 WeakPolarHBondContact O-CB 3.36Å; F99-C102 PolarHBondContact O-N 3.47Å; F99-L103 HydrophobicContact CD1-CD1 4.26Å; F99-L103 HydrophobicContact CE1-CD1 3.57Å; F99-L103 HydrophobicContact CE1-CG 4.3Å; F99-L103 HydrophobicContact CE2-CD1 4.45Å; F99-L103 HydrophobicContact CE2-CG 4.45Å; F99-L103 HydrophobicContact CZ-CD1 3.68Å; F99-L103 HydrophobicContact CZ-CD2 4.36Å; F99-L103 HydrophobicContact CZ-CG 4.15Å; F99-L103 PolarHBondContact O-N 3.38Å; F99-L103 VanDerWaalsContact O-N 3.1Å |
| 100 | V | 94.6 | Very high | 92.7 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 26% | 0.261 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63 | -39.9 | 176.8 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | T96 T98 C102 L103 R104 V108 W109 | T96-V100 WeakPolarHBondContact O-CG2 3.36Å; T96-V100 PolarHBondContact O-N 3.09Å; T98-V100 PolarHBondContact O-N 3.16Å; V100-C102 VanDerWaalsContact C-N 3.3Å; V100-C102 PolarHBondContact O-N 3.3Å; V100-L103 PolarHBondContact O-N 2.95Å; V100-L103 VanDerWaalsContact O-N 3.16Å; V100-R104 HydrophobicContact CG1-CG 4.44Å; V100-R104 WeakPolarHBondContact O-CG 3.49Å; V100-R104 PolarHBondContact O-N 2.94Å; V100-R104 VanDerWaalsContact O-N 3.12Å; V100-V108 HydrophobicContact CG1-CG2 4.21Å; V100-W109 HydrophobicContact CB-CZ2 3.67Å; V100-W109 HydrophobicContact CG1-CH2 4.36Å; V100-W109 HydrophobicContact CG1-CZ2 3.72Å; V100-W109 HydrophobicContact CG2-CZ2 3.98Å |
| 101 | S | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | F97 T98 F99 R104 N105 G106 W107 W109 | F97-S101 WeakPolarHBondContact O-CB 3.37Å; F97-S101 PolarHBondContact O-N 2.78Å; F97-S101 VanDerWaalsContact O-N 3.07Å; F97-S101 PolarHBondContact O-OG 3.49Å; T98-S101 WeakPolarHBondContact O-CB 3.4Å; T98-S101 PolarHBondContact O-N 3.46Å; F99-S101 VanDerWaalsContact C-N 3.31Å; F99-S101 PolarHBondContact O-N 2.85Å; S101-R104 CarbonylContact O-C 3.54Å; S101-R104 PolarHBondContact O-N 2.93Å; S101-N105 PolarHBondContact O-N 3.47Å; S101-N105 VanDerWaalsContact O-N 3.11Å; S101-G106 CarbonylContact C-O 3.55Å; S101-G106 VanDerWaalsContact CA-O 3.24Å; S101-G106 WeakPolarHBondContact CA-O 3.47Å; S101-G106 WeakPolarHBondContact CB-O 3.3Å; S101-G106 PolarHBondContact O-N 2.95Å; S101-W107 VanDerWaalsContact OG-CE3 3.28Å; S101-W109 PolarHBondContact OG-NE1 3.22Å |
| 102 | C | 94.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 172.6 | -65.8 | 0 | 0 | 0 | 0 | 112.1 | Y41 A45 T98 F99 V100 R104 N105 | Y41-C102 WeakPolarHBondContact CB-O 3.38Å; A45-C102 HydrophobicContact CB-CB 3.74Å; T98-C102 PolarHBondContact O-N 3.37Å; T98-C102 PolarHBondContact O-SG 2.8Å; F99-C102 WeakPolarHBondContact O-CB 3.36Å; F99-C102 PolarHBondContact O-N 3.47Å; V100-C102 VanDerWaalsContact C-N 3.3Å; V100-C102 PolarHBondContact O-N 3.3Å; C102-R104 PolarHBondContact O-N 2.93Å; C102-N105 PolarHBondContact O-N 2.93Å; C102-N105 VanDerWaalsContact O-N 3.17Å |
| 103 | L | 94.8 | Very high | 92.9 | Very high | 103 Ų | 103 | 56.6 Ų | 56.6 | 54% | 0.539 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.4 | -23.3 | 177.8 | -66.7 | -179.3 | 0 | 0 | 0 | 113.5 | A45 F99 V100 | A45-L103 HydrophobicContact CB-CD2 3.85Å; A45-L103 HydrophobicContact CB-CG 4.42Å; F99-L103 HydrophobicContact CD1-CD1 4.26Å; F99-L103 HydrophobicContact CE1-CD1 3.57Å; F99-L103 HydrophobicContact CE1-CG 4.3Å; F99-L103 HydrophobicContact CE2-CD1 4.45Å; F99-L103 HydrophobicContact CE2-CG 4.45Å; F99-L103 HydrophobicContact CZ-CD1 3.68Å; F99-L103 HydrophobicContact CZ-CD2 4.36Å; F99-L103 HydrophobicContact CZ-CG 4.15Å; F99-L103 PolarHBondContact O-N 3.38Å; F99-L103 VanDerWaalsContact O-N 3.1Å; V100-L103 PolarHBondContact O-N 2.95Å; V100-L103 VanDerWaalsContact O-N 3.16Å |
| 104 | R | 94.3 | Very high | 93.3 | Very high | 181 Ų | 181 | 53.6 Ų | 53.6 | 68% | 0.683 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 8.8 | -179.1 | -56.7 | -67.7 | -85 | -155.8 | -6.5 | 112.8 | V100 S101 C102 G106 V108 | V100-R104 HydrophobicContact CG1-CG 4.44Å; V100-R104 WeakPolarHBondContact O-CG 3.49Å; V100-R104 PolarHBondContact O-N 2.94Å; V100-R104 VanDerWaalsContact O-N 3.12Å; S101-R104 CarbonylContact O-C 3.54Å; S101-R104 PolarHBondContact O-N 2.93Å; C102-R104 PolarHBondContact O-N 2.93Å; R104-G106 PolarHBondContact O-N 3.32Å; R104-V108 HydrophobicContact CB-CG1 3.45Å; R104-V108 VanDerWaalsContact CB-CG1 3.45Å; R104-V108 HydrophobicContact CB-CG2 4.47Å; R104-V108 HydrophobicContact CG-CG1 3.99Å; R104-V108 HydrophobicContact CG-CG2 4.33Å |
| 105 | N | 93.6 | Very high | 94 | Very high | 71 Ų | 71 | 55.8 Ų | 55.8 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 30.4 | -180 | -58.2 | -34.1 | 0 | 0 | 0 | 114.4 | Y41 S101 C102 | Y41-N105 VanDerWaalsContact CB-OD1 3.26Å; Y41-N105 WeakPolarHBondContact CB-OD1 3.14Å; Y41-N105 HydrophobicContact CD2-CB 3.78Å; Y41-N105 WeakPolarHBondContact CD2-OD1 3.13Å; Y41-N105 HydrophobicContact CE2-CB 3.87Å; Y41-N105 HydrophobicContact CG-CB 4.27Å; Y41-N105 PolarHBondContact OH-O 3.03Å; S101-N105 PolarHBondContact O-N 3.47Å; S101-N105 VanDerWaalsContact O-N 3.11Å; C102-N105 PolarHBondContact O-N 2.93Å; C102-N105 VanDerWaalsContact O-N 3.17Å |
| 106 | G | 92.4 | Very high | 94.3 | Very high | 18 Ų | 18 | 60.9 Ų | 60.9 | 19% | 0.186 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 164.9 | 166.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S101 R104 V108 | S101-G106 CarbonylContact C-O 3.55Å; S101-G106 VanDerWaalsContact CA-O 3.24Å; S101-G106 WeakPolarHBondContact CA-O 3.47Å; S101-G106 WeakPolarHBondContact CB-O 3.3Å; S101-G106 PolarHBondContact O-N 2.95Å; R104-G106 PolarHBondContact O-N 3.32Å; G106-V108 PolarHBondContact O-N 3.26Å |
| 107 | W | 94.3 | Very high | 94.6 | Very high | 51 Ų | 51 | 58.1 Ų | 58.1 | 19% | 0.193 | 29% | 0.294 | C | S | . | . | trans | -66.5 | 114.9 | 173.9 | -172.9 | -100.4 | 0 | 0 | 0 | 110.7 | F97 S101 W109 C114 D117 L181 L186 | F97-W107 HydrophobicContact CB-CH2 4.27Å; F97-W107 HydrophobicContact CB-CZ3 4.38Å; F97-W107 HydrophobicContact CD1-CH2 4.15Å; S101-W107 VanDerWaalsContact OG-CE3 3.28Å; W107-W109 VanDerWaalsContact CD1-O 3.3Å; W107-W109 HydrophobicContact CD2-CB 4.45Å; W107-W109 AromaticContact CD2-CD1 3.9Å; W107-W109 AromaticContact CE2-CD1 3.81Å; W107-W109 AromaticContact CE3-CD1 3.75Å; W107-W109 HydrophobicContact CH2-CB 4.26Å; W107-W109 AromaticContact CH2-CD1 3.49Å; W107-W109 VanDerWaalsContact CH2-CD1 3.49Å; W107-W109 HydrophobicContact CH2-CG 4.11Å; W107-W109 HydrophobicContact CZ2-CB 3.53Å; W107-W109 AromaticContact CZ2-CD1 3.61Å; W107-W109 AromaticContact CZ2-CG 3.88Å; W107-W109 HydrophobicContact CZ2-CG 3.88Å; W107-W109 AromaticContact CZ3-CD1 3.55Å; W107-W109 PolarHBondContact NE1-O 2.99Å; W107-C114 HydrophobicContact CZ2-CB 3.84Å; W107-D117 HydrophobicContact CH2-CB 3.92Å; W107-L181 HydrophobicContact CB-CD1 3.84Å; W107-L181 HydrophobicContact CB-CD2 4.21Å; W107-L181 HydrophobicContact CD2-CD1 3.61Å; W107-L181 HydrophobicContact CE3-CD1 4.01Å; W107-L181 HydrophobicContact CG-CD1 3.54Å; W107-L181 HydrophobicContact CG-CD2 4.47Å; W107-L186 VanDerWaalsContact CE3-C 3.48Å; W107-L186 WeakPolarHBondContact CZ3-O 3.35Å | ||
| 108 | V | 93.9 | Very high | 94.7 | Very high | 75 Ų | 75 | 56.7 Ų | 56.7 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | trans | -106.5 | -6.6 | -177.5 | -67 | 0 | 0 | 0 | 0 | 113.9 | V100 R104 G106 | V100-V108 HydrophobicContact CG1-CG2 4.21Å; R104-V108 HydrophobicContact CB-CG1 3.45Å; R104-V108 VanDerWaalsContact CB-CG1 3.45Å; R104-V108 HydrophobicContact CB-CG2 4.47Å; R104-V108 HydrophobicContact CG-CG1 3.99Å; R104-V108 HydrophobicContact CG-CG2 4.33Å; G106-V108 PolarHBondContact O-N 3.26Å | ||
| 109 | W | 93.7 | Very high | 94.9 | Very high | 84 Ų | 84 | 58 Ų | 58 | 32% | 0.318 | 29% | 0.294 | S | S | . | . | trans | -83.6 | 153.2 | -176.3 | -49.4 | 97.3 | 0 | 0 | 0 | 110.8 | F97 V100 S101 W107 | F97-W109 HydrophobicContact CB-CZ2 4.49Å; F97-W109 AromaticContact CD1-CD1 3.87Å; F97-W109 AromaticContact CD1-CD2 3.65Å; F97-W109 HydrophobicContact CD1-CD2 3.65Å; F97-W109 AromaticContact CD1-CE2 3.62Å; F97-W109 HydrophobicContact CD1-CE3 4.21Å; F97-W109 AromaticContact CD1-CG 3.8Å; F97-W109 HydrophobicContact CD1-CG 3.8Å; F97-W109 HydrophobicContact CD1-CZ2 4.14Å; F97-W109 AromaticContact CD1-NE1 3.76Å; F97-W109 AromaticContact CE1-CD2 3.9Å; F97-W109 HydrophobicContact CE1-CD2 3.9Å; F97-W109 AromaticContact CE1-CE3 4Å; F97-W109 HydrophobicContact CE1-CE3 4Å; F97-W109 HydrophobicContact CE1-CG 4.27Å; F97-W109 HydrophobicContact CE1-CZ3 4.38Å; F97-W109 HydrophobicContact CG-CD2 4.44Å; F97-W109 AromaticContact CG-CE2 3.96Å; F97-W109 HydrophobicContact CG-CZ2 4.16Å; F97-W109 PolarHBondContact O-NE1 2.9Å; V100-W109 HydrophobicContact CB-CZ2 3.67Å; V100-W109 HydrophobicContact CG1-CH2 4.36Å; V100-W109 HydrophobicContact CG1-CZ2 3.72Å; V100-W109 HydrophobicContact CG2-CZ2 3.98Å; S101-W109 PolarHBondContact OG-NE1 3.22Å; W107-W109 VanDerWaalsContact CD1-O 3.3Å; W107-W109 HydrophobicContact CD2-CB 4.45Å; W107-W109 AromaticContact CD2-CD1 3.9Å; W107-W109 AromaticContact CE2-CD1 3.81Å; W107-W109 AromaticContact CE3-CD1 3.75Å; W107-W109 HydrophobicContact CH2-CB 4.26Å; W107-W109 AromaticContact CH2-CD1 3.49Å; W107-W109 VanDerWaalsContact CH2-CD1 3.49Å; W107-W109 HydrophobicContact CH2-CG 4.11Å; W107-W109 HydrophobicContact CZ2-CB 3.53Å; W107-W109 AromaticContact CZ2-CD1 3.61Å; W107-W109 AromaticContact CZ2-CG 3.88Å; W107-W109 HydrophobicContact CZ2-CG 3.88Å; W107-W109 AromaticContact CZ3-CD1 3.55Å; W107-W109 PolarHBondContact NE1-O 2.99Å | ||
| 110 | D | 94.1 | Very high | 95 | Very high | 101 Ų | 101 | 55 Ų | 55 | 54% | 0.54 | 28% | 0.281 | S | S | . | . | trans | -74.5 | -178.2 | 175.8 | 69.8 | -21.3 | 0 | 0 | 0 | 111.9 | V112 G113 C114 | D110-V112 VanDerWaalsContact C-N 3.28Å; D110-V112 PolarHBondContact O-N 3.3Å; D110-G113 PolarHBondContact O-N 2.89Å; D110-G113 PolarHBondContact OD1-N 3.24Å; D110-C114 PolarHBondContact O-N 3.24Å | ||
| 111 | T | 94.8 | Very high | 95 | Very high | 115 Ų | 115 | 53.5 Ų | 53.5 | 71% | 0.706 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.4 | -38.8 | 178.4 | -50 | 0 | 0 | 0 | 0 | 111.7 | C114 V115 | T111-C114 PolarHBondContact O-N 3.12Å; T111-V115 WeakPolarHBondContact O-CG2 3.37Å; T111-V115 PolarHBondContact O-N 3.4Å |
| 112 | V | 95.7 | Very high | 95 | Very high | 104 Ų | 104 | 54.8 Ų | 54.8 | 63% | 0.63 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 178.3 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | D110 C114 V115 W116 | D110-V112 VanDerWaalsContact C-N 3.28Å; D110-V112 PolarHBondContact O-N 3.3Å; V112-C114 VanDerWaalsContact C-N 3.31Å; V112-C114 PolarHBondContact O-N 3.06Å; V112-V115 PolarHBondContact O-N 3.39Å; V112-W116 WeakPolarHBondContact O-CB 3.48Å; V112-W116 PolarHBondContact O-N 3.18Å |
| 113 | G | 95.2 | Very high | 95.2 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 7% | 0.072 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D110 W116 D117 | D110-G113 PolarHBondContact O-N 2.89Å; D110-G113 PolarHBondContact OD1-N 3.24Å; G113-W116 PolarHBondContact O-N 3.1Å; G113-D117 WeakPolarHBondContact O-CB 3.4Å; G113-D117 PolarHBondContact O-N 2.77Å |
| 114 | C | 96.1 | Very high | 95.3 | Very high | 12 Ų | 12 | 50.9 Ų | 50.9 | 8% | 0.081 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 112.7 | W107 D110 T111 V112 W116 D117 G118 C188 | W107-C114 HydrophobicContact CZ2-CB 3.84Å; D110-C114 PolarHBondContact O-N 3.24Å; T111-C114 PolarHBondContact O-N 3.12Å; V112-C114 VanDerWaalsContact C-N 3.31Å; V112-C114 PolarHBondContact O-N 3.06Å; C114-W116 VanDerWaalsContact C-N 3.3Å; C114-W116 PolarHBondContact O-N 2.76Å; C114-D117 PolarHBondContact O-N 2.78Å; C114-G118 PolarHBondContact O-N 3.28Å; C114-C188 WeakPolarHBondContact CA-SG 3.18Å; C114-C188 HydrophobicContact CB-CB 4.12Å; C114-C188 WeakPolarHBondContact CB-SG 3.48Å; C114-C188 WeakPolarHBondContact O-CB 3.03Å; C114-C188 WeakPolarHBondContact SG-CB 3.4Å; C114-C188 CovalentContact SG-SG 2.03Å; C114-C188 PolarHBondContact SG-SG 2.92Å |
| 115 | V | 97.1 | Very high | 95.3 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 29% | 0.285 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | T111 V112 F119 L173 Y179 | T111-V115 WeakPolarHBondContact O-CG2 3.37Å; T111-V115 PolarHBondContact O-N 3.4Å; V112-V115 PolarHBondContact O-N 3.39Å; V115-F119 WeakPolarHBondContact O-CB 3.38Å; V115-F119 PolarHBondContact O-N 2.65Å; V115-L173 HydrophobicContact CG1-CD2 3.4Å; V115-L173 VanDerWaalsContact CG1-CD2 3.4Å; V115-Y179 HydrophobicContact CG1-CD2 4.29Å |
| 116 | W | 96.3 | Very high | 95.4 | Very high | 109 Ų | 109 | 40 Ų | 40 | 41% | 0.413 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.9 | -44.1 | 177.2 | -178.9 | -102.4 | 0 | 0 | 0 | 113.1 | F97 V112 G113 C114 F119 S120 | F97-W116 AromaticContact CZ-CD1 3.85Å; V112-W116 WeakPolarHBondContact O-CB 3.48Å; V112-W116 PolarHBondContact O-N 3.18Å; G113-W116 PolarHBondContact O-N 3.1Å; C114-W116 VanDerWaalsContact C-N 3.3Å; C114-W116 PolarHBondContact O-N 2.76Å; W116-F119 HydrophobicContact CE3-CD1 4.15Å; W116-F119 HydrophobicContact CZ3-CD1 4.11Å; W116-F119 HydrophobicContact CZ3-CE1 4.19Å; W116-S120 WeakPolarHBondContact O-CB 3.33Å; W116-S120 PolarHBondContact O-N 3.08Å; W116-S120 PolarHBondContact O-OG 3.36Å |
| 117 | D | 95.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.011 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -49 | 177.5 | -178.1 | 57.8 | 0 | 0 | 0 | 111.3 | F97 W107 G113 C114 S120 G121 G187 C188 | F97-D117 HydrophobicContact CB-CB 4.49Å; F97-D117 HydrophobicContact CD1-CB 4.29Å; F97-D117 HydrophobicContact CG-CB 4.48Å; W107-D117 HydrophobicContact CH2-CB 3.92Å; G113-D117 WeakPolarHBondContact O-CB 3.4Å; G113-D117 PolarHBondContact O-N 2.77Å; C114-D117 PolarHBondContact O-N 2.78Å; D117-S120 PolarHBondContact O-OG 3.06Å; D117-G121 PolarHBondContact O-N 3.35Å; D117-G187 WeakPolarHBondContact OD2-CA 3.48Å; D117-C188 HydrophobicContact CB-CB 4.39Å; D117-C188 PolarHBondContact OD2-N 2.66Å |
| 118 | G | 95.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | C114 S122 Y179 C188 | C114-G118 PolarHBondContact O-N 3.28Å; G118-S122 WeakPolarHBondContact O-CB 3.34Å; G118-S122 PolarHBondContact O-N 3.14Å; G118-S122 PolarHBondContact O-OG 2.95Å; G118-Y179 VanDerWaalsContact C-CD1 3.47Å; G118-Y179 WeakPolarHBondContact O-CE1 3.26Å; G118-C188 WeakPolarHBondContact CA-O 3.29Å |
| 119 | F | 97.4 | Very high | 95.9 | Very high | 28 Ų | 28 | 33.6 Ų | 33.6 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -53.9 | 176.6 | 169.5 | -104 | 0 | 0 | 0 | 111.7 | V115 W116 G121 S122 L123 L166 A169 L173 Y179 | V115-F119 WeakPolarHBondContact O-CB 3.38Å; V115-F119 PolarHBondContact O-N 2.65Å; W116-F119 HydrophobicContact CE3-CD1 4.15Å; W116-F119 HydrophobicContact CZ3-CD1 4.11Å; W116-F119 HydrophobicContact CZ3-CE1 4.19Å; F119-G121 PolarHBondContact O-N 3.35Å; F119-S122 PolarHBondContact O-N 3.44Å; F119-L123 HydrophobicContact CE1-CD2 3.97Å; F119-L123 HydrophobicContact CZ-CD2 3.87Å; F119-L123 VanDerWaalsContact O-CB 3.29Å; F119-L123 WeakPolarHBondContact O-CB 3.42Å; F119-L123 PolarHBondContact O-N 3.36Å; F119-L166 HydrophobicContact CZ-CD2 4.1Å; F119-A169 HydrophobicContact CD2-CB 3.98Å; F119-A169 WeakPolarHBondContact CD2-O 3.27Å; F119-A169 HydrophobicContact CE2-CB 3.91Å; F119-L173 HydrophobicContact CD2-CD1 3.67Å; F119-L173 HydrophobicContact CD2-CG 4.3Å; F119-L173 HydrophobicContact CE2-CD1 3.9Å; F119-L173 HydrophobicContact CG-CD1 4.25Å; F119-Y179 VanDerWaalsContact CA-CZ 3.46Å; F119-Y179 HydrophobicContact CB-CD2 4.33Å; F119-Y179 HydrophobicContact CB-CE2 3.79Å; F119-Y179 HydrophobicContact CD2-CE2 4.43Å |
| 120 | S | 96.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -41.3 | -177.9 | 64.4 | 0 | 0 | 0 | 0 | 111.3 | W116 D117 S122 L123 F124 | W116-S120 WeakPolarHBondContact O-CB 3.33Å; W116-S120 PolarHBondContact O-N 3.08Å; W116-S120 PolarHBondContact O-OG 3.36Å; D117-S120 PolarHBondContact O-OG 3.06Å; S120-S122 PolarHBondContact O-N 2.84Å; S120-L123 PolarHBondContact O-N 2.91Å; S120-F124 WeakPolarHBondContact O-CD2 3.39Å; S120-F124 WeakPolarHBondContact O-CG 3.46Å; S120-F124 PolarHBondContact O-N 3.31Å |
| 121 | G | 94.3 | Very high | 96.2 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 13% | 0.134 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D117 F119 G125 | D117-G121 PolarHBondContact O-N 3.35Å; F119-G121 PolarHBondContact O-N 3.35Å; G121-G125 PolarHBondContact O-N 3.1Å; G121-G125 VanDerWaalsContact O-N 3.1Å |
| 122 | S | 95.7 | Very high | 96.3 | Very high | 27 Ų | 27 | 19.9 Ų | 19.9 | 19% | 0.189 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.5 | -49.9 | 177.5 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | G118 F119 S120 F124 G125 I126 Y179 | G118-S122 WeakPolarHBondContact O-CB 3.34Å; G118-S122 PolarHBondContact O-N 3.14Å; G118-S122 PolarHBondContact O-OG 2.95Å; F119-S122 PolarHBondContact O-N 3.44Å; S120-S122 PolarHBondContact O-N 2.84Å; S122-F124 PolarHBondContact O-N 3.03Å; S122-G125 PolarHBondContact O-N 3.2Å; S122-I126 WeakPolarHBondContact O-CD1 3.5Å; S122-I126 WeakPolarHBondContact O-CG1 3.28Å; S122-I126 PolarHBondContact O-N 3.21Å; S122-Y179 WeakPolarHBondContact CB-OH 3.47Å; S122-Y179 WeakPolarHBondContact OG-CE1 3.33Å; S122-Y179 PolarHBondContact OG-OH 3.07Å |
| 123 | L | 97.8 | Very high | 96.4 | Very high | 9 Ų | 9 | 15.8 Ų | 15.8 | 5% | 0.047 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -54.9 | -55.4 | -177.8 | 175.6 | 62.7 | 0 | 0 | 0 | 111 | F119 S120 I126 V127 W162 L166 A169 | F119-L123 HydrophobicContact CE1-CD2 3.97Å; F119-L123 HydrophobicContact CZ-CD2 3.87Å; F119-L123 VanDerWaalsContact O-CB 3.29Å; F119-L123 WeakPolarHBondContact O-CB 3.42Å; F119-L123 PolarHBondContact O-N 3.36Å; S120-L123 PolarHBondContact O-N 2.91Å; L123-I126 PolarHBondContact O-N 2.93Å; L123-V127 HydrophobicContact CD1-CG2 4.47Å; L123-V127 WeakPolarHBondContact O-CG2 3.44Å; L123-V127 PolarHBondContact O-N 3.16Å; L123-W162 HydrophobicContact CD2-CZ3 4.4Å; L123-L166 HydrophobicContact CD1-CD2 3.82Å; L123-L166 HydrophobicContact CD1-CG 3.9Å; L123-L166 HydrophobicContact CD2-CD2 4.1Å; L123-A169 HydrophobicContact CB-CB 3.83Å; L123-A169 HydrophobicContact CD1-CB 4.34Å |
| 124 | F | 96.5 | Very high | 96.5 | Very high | 13 Ų | 13 | 16.9 Ų | 16.9 | 6% | 0.057 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -74.1 | -28.3 | -175.5 | -58 | -44.9 | 0 | 0 | 0 | 112.9 | S86 L89 V90 F93 S120 S122 S128 W162 | S86-F124 WeakPolarHBondContact OG-CA 3.42Å; S86-F124 WeakPolarHBondContact OG-CB 3.4Å; S86-F124 PolarHBondContact OG-O 2.85Å; L89-F124 HydrophobicContact CB-CD1 4.16Å; L89-F124 HydrophobicContact CB-CD2 3.83Å; L89-F124 HydrophobicContact CB-CE1 3.87Å; L89-F124 HydrophobicContact CB-CE2 3.49Å; L89-F124 VanDerWaalsContact CB-CE2 3.49Å; L89-F124 HydrophobicContact CB-CG 4.18Å; L89-F124 HydrophobicContact CB-CZ 3.53Å; L89-F124 HydrophobicContact CD1-CD1 4.12Å; L89-F124 HydrophobicContact CD1-CE1 3.46Å; L89-F124 VanDerWaalsContact CD1-CE1 3.46Å; L89-F124 HydrophobicContact CD1-CZ 3.72Å; L89-F124 HydrophobicContact CG-CE1 4.28Å; L89-F124 HydrophobicContact CG-CZ 4.14Å; V90-F124 HydrophobicContact CG2-CB 3.31Å; V90-F124 HydrophobicContact CG2-CD2 4.06Å; V90-F124 HydrophobicContact CG2-CG 4.08Å; F93-F124 HydrophobicContact CD2-CE2 4.31Å; S120-F124 WeakPolarHBondContact O-CD2 3.39Å; S120-F124 WeakPolarHBondContact O-CG 3.46Å; S120-F124 PolarHBondContact O-N 3.31Å; S122-F124 PolarHBondContact O-N 3.03Å; F124-S128 WeakPolarHBondContact O-CB 3.33Å; F124-S128 PolarHBondContact O-N 2.96Å; F124-W162 HydrophobicContact CD1-CH2 4.2Å; F124-W162 HydrophobicContact CD1-CZ3 4.4Å; F124-W162 AromaticContact CE1-CH2 3.85Å; F124-W162 HydrophobicContact CE1-CH2 3.85Å; F124-W162 AromaticContact CE1-CZ3 3.95Å; F124-W162 HydrophobicContact CE1-CZ3 3.95Å |
| 125 | G | 94.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 16.4 Ų | 16.4 | 9% | 0.093 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G121 S122 S128 I129 | G121-G125 PolarHBondContact O-N 3.1Å; G121-G125 VanDerWaalsContact O-N 3.1Å; S122-G125 PolarHBondContact O-N 3.2Å; G125-S128 WeakPolarHBondContact O-CB 3.47Å; G125-S128 PolarHBondContact O-N 2.78Å; G125-I129 PolarHBondContact O-N 3.47Å |
| 126 | I | 96.9 | Very high | 96.5 | Very high | 14 Ų | 14 | 14.1 Ų | 14.1 | 7% | 0.072 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.3 | -40.1 | 178.8 | -59.6 | 164.6 | 0 | 0 | 0 | 110.9 | S122 L123 S128 I129 A130 Y164 S165 W168 L206 C210 | S122-I126 WeakPolarHBondContact O-CD1 3.5Å; S122-I126 WeakPolarHBondContact O-CG1 3.28Å; S122-I126 PolarHBondContact O-N 3.21Å; L123-I126 PolarHBondContact O-N 2.93Å; I126-S128 PolarHBondContact O-N 2.9Å; I126-I129 WeakPolarHBondContact O-CG2 3.44Å; I126-I129 PolarHBondContact O-N 2.94Å; I126-A130 WeakPolarHBondContact O-CB 3.49Å; I126-A130 PolarHBondContact O-N 3.27Å; I126-Y164 HydrophobicContact CG2-CD1 4.01Å; I126-Y164 HydrophobicContact CG2-CE1 3.94Å; I126-S165 WeakPolarHBondContact CG2-OG 3.2Å; I126-W168 HydrophobicContact CD1-CB 3.6Å; I126-W168 HydrophobicContact CD1-CG 4.5Å; I126-L206 HydrophobicContact CD1-CD1 4.2Å; I126-C210 HydrophobicContact CG1-CB 4.44Å |
| 127 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -56.3 | -41.1 | 172.3 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | S86 L123 T131 I161 W162 S165 | S86-V127 WeakPolarHBondContact OG-CG1 3.37Å; L123-V127 HydrophobicContact CD1-CG2 4.47Å; L123-V127 WeakPolarHBondContact O-CG2 3.44Å; L123-V127 PolarHBondContact O-N 3.16Å; V127-T131 VanDerWaalsContact O-CB 3.31Å; V127-T131 WeakPolarHBondContact O-CB 3.47Å; V127-T131 PolarHBondContact O-N 3Å; V127-T131 PolarHBondContact O-OG1 3.18Å; V127-I161 HydrophobicContact CB-CG2 4.29Å; V127-I161 HydrophobicContact CG1-CG2 3.94Å; V127-I161 HydrophobicContact CG2-CG2 4.31Å; V127-W162 HydrophobicContact CG1-CZ2 4.44Å; V127-W162 HydrophobicContact CG2-CD2 4.19Å; V127-W162 HydrophobicContact CG2-CE3 4.18Å; V127-W162 HydrophobicContact CG2-CZ3 4.43Å; V127-S165 WeakPolarHBondContact CA-OG 3.05Å; V127-S165 VanDerWaalsContact CG2-OG 3.29Å; V127-S165 WeakPolarHBondContact CG2-OG 3.29Å; V127-S165 PolarHBondContact N-OG 3.22Å |
| 128 | S | 95.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.014 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.8 | -54.8 | 179.9 | -162.4 | 0 | 0 | 0 | 0 | 111.7 | F124 G125 I126 A130 T131 L132 | F124-S128 WeakPolarHBondContact O-CB 3.33Å; F124-S128 PolarHBondContact O-N 2.96Å; G125-S128 WeakPolarHBondContact O-CB 3.47Å; G125-S128 PolarHBondContact O-N 2.78Å; I126-S128 PolarHBondContact O-N 2.9Å; S128-A130 PolarHBondContact O-N 3.37Å; S128-T131 PolarHBondContact O-N 3.37Å; S128-L132 WeakPolarHBondContact O-CG 3.29Å; S128-L132 PolarHBondContact O-N 3.38Å |
| 129 | I | 96.1 | Very high | 96.3 | Very high | 7 Ų | 7 | 13.5 Ų | 13.5 | 4% | 0.036 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | 179.9 | -161.8 | 177.1 | 0 | 0 | 0 | 112.4 | G125 I126 T131 L132 T133 C210 L211 P214 F264 | G125-I129 PolarHBondContact O-N 3.47Å; I126-I129 WeakPolarHBondContact O-CG2 3.44Å; I126-I129 PolarHBondContact O-N 2.94Å; I129-T131 VanDerWaalsContact C-N 3.3Å; I129-T131 PolarHBondContact O-N 2.98Å; I129-L132 WeakPolarHBondContact O-CB 3.29Å; I129-L132 PolarHBondContact O-N 3.38Å; I129-L132 VanDerWaalsContact O-N 3.16Å; I129-T133 PolarHBondContact O-N 2.97Å; I129-T133 PolarHBondContact O-OG1 2.85Å; I129-C210 WeakPolarHBondContact CD1-O 3.3Å; I129-L211 HydrophobicContact CD1-CD1 4.3Å; I129-P214 HydrophobicContact CD1-CB 3.8Å; I129-P214 HydrophobicContact CD1-CG 4.37Å; I129-P214 HydrophobicContact CG1-CB 4.01Å; I129-F264 HydrophobicContact CB-CE1 3.93Å; I129-F264 HydrophobicContact CB-CE2 4.13Å; I129-F264 HydrophobicContact CB-CZ 3.63Å; I129-F264 HydrophobicContact CD1-CD1 4.43Å; I129-F264 HydrophobicContact CD1-CE1 3.71Å; I129-F264 HydrophobicContact CD1-CZ 4.24Å; I129-F264 HydrophobicContact CG1-CD1 4.38Å; I129-F264 HydrophobicContact CG1-CE1 3.86Å; I129-F264 HydrophobicContact CG1-CZ 4.12Å |
| 130 | A | 97.9 | Very high | 96.2 | Very high | 10 Ų | 10 | 13.7 Ų | 13.7 | 8% | 0.083 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.7 | -38.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I126 S128 T133 V134 I161 Y164 | I126-A130 WeakPolarHBondContact O-CB 3.49Å; I126-A130 PolarHBondContact O-N 3.27Å; S128-A130 PolarHBondContact O-N 3.37Å; A130-T133 PolarHBondContact O-N 3.07Å; A130-V134 WeakPolarHBondContact O-CG2 3.33Å; A130-V134 PolarHBondContact O-N 3.31Å; A130-I161 HydrophobicContact CB-CG1 4.24Å; A130-I161 HydrophobicContact CB-CG2 3.98Å; A130-Y164 HydrophobicContact CB-CD1 4.27Å |
| 131 | T | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.1 | -39.1 | 174.8 | -51.4 | 0 | 0 | 0 | 0 | 111.8 | L79 N82 I83 V127 S128 I129 T133 V134 L135 I161 | L79-T131 HydrophobicContact CB-CG2 4.21Å; L79-T131 HydrophobicContact CD2-CG2 4.47Å; L79-T131 WeakPolarHBondContact O-CG2 3.43Å; N82-T131 HydrophobicContact CB-CG2 4.43Å; N82-T131 PolarHBondContact ND2-OG1 3.36Å; I83-T131 HydrophobicContact CD1-CG2 3.91Å; I83-T131 HydrophobicContact CG1-CG2 3.5Å; I83-T131 VanDerWaalsContact CG1-CG2 3.5Å; V127-T131 VanDerWaalsContact O-CB 3.31Å; V127-T131 WeakPolarHBondContact O-CB 3.47Å; V127-T131 PolarHBondContact O-N 3Å; V127-T131 PolarHBondContact O-OG1 3.18Å; S128-T131 PolarHBondContact O-N 3.37Å; I129-T131 VanDerWaalsContact C-N 3.3Å; I129-T131 PolarHBondContact O-N 2.98Å; T131-T133 VanDerWaalsContact C-N 3.34Å; T131-V134 PolarHBondContact O-N 3.1Å; T131-L135 HydrophobicContact CG2-CD1 4.33Å; T131-L135 WeakPolarHBondContact O-CB 3.49Å; T131-L135 WeakPolarHBondContact O-CG 3.47Å; T131-L135 PolarHBondContact O-N 3.15Å; T131-I161 HydrophobicContact CG2-CD1 4.26Å |
| 132 | L | 96.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 174.1 | -70.4 | 172 | 0 | 0 | 0 | 112 | I83 S128 I129 L135 A136 M260 I261 F264 | I83-L132 HydrophobicContact CD1-CD2 3.79Å; I83-L132 HydrophobicContact CD1-CG 4.18Å; S128-L132 WeakPolarHBondContact O-CG 3.29Å; S128-L132 PolarHBondContact O-N 3.38Å; I129-L132 WeakPolarHBondContact O-CB 3.29Å; I129-L132 PolarHBondContact O-N 3.38Å; I129-L132 VanDerWaalsContact O-N 3.16Å; L132-L135 PolarHBondContact O-N 3Å; L132-A136 PolarHBondContact O-N 3.5Å; L132-M260 HydrophobicContact CD2-CB 3.8Å; L132-M260 HydrophobicContact CD2-CE 3.97Å; L132-I261 HydrophobicContact CB-CG1 4.03Å; L132-I261 HydrophobicContact CD1-CG1 4.46Å; L132-I261 HydrophobicContact CD2-CG1 4.2Å; L132-I261 HydrophobicContact CG-CG1 4.47Å; L132-F264 HydrophobicContact CD1-CB 3.67Å; L132-F264 HydrophobicContact CD1-CD2 3.81Å; L132-F264 HydrophobicContact CD1-CG 3.77Å |
| 133 | T | 97.6 | Very high | 95.5 | Very high | 19 Ų | 19 | 15.8 Ų | 15.8 | 12% | 0.117 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.7 | -46.1 | 174.1 | -60 | 0 | 0 | 0 | 0 | 111.8 | I129 A130 T131 L135 A136 Y137 P214 V217 | I129-T133 PolarHBondContact O-N 2.97Å; I129-T133 PolarHBondContact O-OG1 2.85Å; A130-T133 PolarHBondContact O-N 3.07Å; T131-T133 VanDerWaalsContact C-N 3.34Å; T133-L135 VanDerWaalsContact C-N 3.31Å; T133-L135 PolarHBondContact O-N 2.85Å; T133-A136 WeakPolarHBondContact O-CB 3.34Å; T133-A136 PolarHBondContact O-N 3Å; T133-Y137 PolarHBondContact O-N 2.83Å; T133-P214 WeakPolarHBondContact OG1-CB 3.45Å; T133-V217 HydrophobicContact CG2-CB 3.76Å; T133-V217 HydrophobicContact CG2-CG1 3.55Å; T133-V217 HydrophobicContact CG2-CG2 4.5Å |
| 134 | V | 97.8 | Very high | 95.1 | Very high | 30 Ų | 30 | 17.4 Ų | 17.4 | 18% | 0.182 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 175.9 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | L79 A130 T131 Y137 E138 W153 A157 I161 | L79-V134 HydrophobicContact CD1-CG1 3.93Å; L79-V134 HydrophobicContact CD2-CG1 4.08Å; A130-V134 WeakPolarHBondContact O-CG2 3.33Å; A130-V134 PolarHBondContact O-N 3.31Å; T131-V134 PolarHBondContact O-N 3.1Å; V134-Y137 PolarHBondContact O-N 3.31Å; V134-E138 VanDerWaalsContact O-CB 3.25Å; V134-E138 WeakPolarHBondContact O-CB 3.24Å; V134-E138 PolarHBondContact O-N 3.31Å; V134-W153 HydrophobicContact CG1-CH2 3.76Å; V134-W153 HydrophobicContact CG1-CZ3 4.25Å; V134-A157 HydrophobicContact CG1-CB 3.83Å; V134-I161 HydrophobicContact CB-CD1 4.05Å; V134-I161 HydrophobicContact CG1-CD1 4.31Å; V134-I161 HydrophobicContact CG2-CD1 3.84Å; V134-I161 HydrophobicContact CG2-CG1 3.92Å |
| 135 | L | 95.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 173.3 | -81.6 | 167.2 | 0 | 0 | 0 | 111.8 | T76 L79 L80 I83 T131 L132 T133 Y137 E138 R139 | T76-L135 HydrophobicContact CG2-CD2 4.07Å; L79-L135 HydrophobicContact CB-CD2 3.71Å; L79-L135 HydrophobicContact CB-CG 4.03Å; L79-L135 HydrophobicContact CD1-CD2 3.71Å; L79-L135 HydrophobicContact CD1-CG 4.08Å; L79-L135 HydrophobicContact CG-CD2 4.39Å; L80-L135 HydrophobicContact CD2-CD1 3.89Å; L80-L135 HydrophobicContact CD2-CD2 4.39Å; I83-L135 HydrophobicContact CD1-CD1 3.62Å; T131-L135 HydrophobicContact CG2-CD1 4.33Å; T131-L135 WeakPolarHBondContact O-CB 3.49Å; T131-L135 WeakPolarHBondContact O-CG 3.47Å; T131-L135 PolarHBondContact O-N 3.15Å; L132-L135 PolarHBondContact O-N 3Å; T133-L135 VanDerWaalsContact C-N 3.31Å; T133-L135 PolarHBondContact O-N 2.85Å; L135-Y137 VanDerWaalsContact C-N 3.34Å; L135-E138 PolarHBondContact O-N 2.93Å; L135-R139 VanDerWaalsContact O-CG 3.3Å; L135-R139 WeakPolarHBondContact O-CG 3.48Å; L135-R139 PolarHBondContact O-N 3.3Å |
| 136 | A | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L132 T133 R139 Y140 I218 C221 Y222 I261 | L132-A136 PolarHBondContact O-N 3.5Å; T133-A136 WeakPolarHBondContact O-CB 3.34Å; T133-A136 PolarHBondContact O-N 3Å; A136-R139 PolarHBondContact O-N 2.95Å; A136-Y140 WeakPolarHBondContact O-CB 3.39Å; A136-Y140 PolarHBondContact O-N 3.5Å; A136-I218 HydrophobicContact CB-CB 4.5Å; A136-I218 HydrophobicContact CB-CG1 3.92Å; A136-C221 HydrophobicContact CB-CB 4.25Å; A136-Y222 HydrophobicContact CB-CD2 4.27Å; A136-Y222 HydrophobicContact CB-CE2 3.72Å; A136-I261 HydrophobicContact CB-CD1 4.3Å |
| 137 | Y | 96.6 | Very high | 94 | Very high | 98 Ų | 98 | 31.1 Ų | 31.1 | 38% | 0.384 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65 | -41.8 | 176.1 | -177.4 | -107.3 | 0 | 0 | 0 | 112.4 | T133 V134 L135 R139 Y140 I141 W153 | T133-Y137 PolarHBondContact O-N 2.83Å; V134-Y137 PolarHBondContact O-N 3.31Å; L135-Y137 VanDerWaalsContact C-N 3.34Å; Y137-R139 VanDerWaalsContact C-N 3.33Å; Y137-R139 PolarHBondContact O-N 3.01Å; Y137-Y140 HydrophobicContact CD2-CD1 4.08Å; Y137-Y140 HydrophobicContact CE2-CD1 4.1Å; Y137-Y140 HydrophobicContact CE2-CE1 4.36Å; Y137-Y140 WeakPolarHBondContact O-CB 3.19Å; Y137-Y140 PolarHBondContact O-N 3.2Å; Y137-Y140 VanDerWaalsContact O-N 3.14Å; Y137-I141 HydrophobicContact CD1-CD1 4.27Å; Y137-I141 HydrophobicContact CD1-CG2 4.41Å; Y137-I141 HydrophobicContact CD2-CG2 4.43Å; Y137-I141 HydrophobicContact CE1-CD1 4.04Å; Y137-I141 HydrophobicContact CE1-CG2 3.89Å; Y137-I141 HydrophobicContact CE2-CG2 3.92Å; Y137-I141 WeakPolarHBondContact O-CG1 3.39Å; Y137-I141 PolarHBondContact O-N 3.49Å; Y137-W153 HydrophobicContact CD1-CZ2 4.1Å; Y137-W153 HydrophobicContact CE1-CZ2 4.33Å |
| 138 | E | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 175.4 | -175.7 | -97.4 | -178.2 | 0 | 0 | 112 | T76 V134 L135 Y140 I141 R142 I149 W153 | T76-E138 PolarHBondContact OG1-OE1 2.93Å; V134-E138 VanDerWaalsContact O-CB 3.25Å; V134-E138 WeakPolarHBondContact O-CB 3.24Å; V134-E138 PolarHBondContact O-N 3.31Å; L135-E138 PolarHBondContact O-N 2.93Å; E138-Y140 VanDerWaalsContact C-N 3.35Å; E138-I141 VanDerWaalsContact O-CG1 3.28Å; E138-I141 WeakPolarHBondContact O-CG1 3.21Å; E138-R142 WeakPolarHBondContact O-CB 3.4Å; E138-R142 WeakPolarHBondContact O-CG 3.2Å; E138-R142 PolarHBondContact O-N 3.23Å; E138-R142 VanDerWaalsContact O-N 3.16Å; E138-R142 WeakPolarHBondContact OE1-CD 3.46Å; E138-R142 IonicContact OE1-CZ 3.6Å; E138-R142 IonicContact OE1-NE 2.69Å; E138-R142 PolarHBondContact OE1-NE 2.93Å; E138-R142 IonicContact OE1-NH2 3.69Å; E138-I149 HydrophobicContact CG-CG1 4.2Å; E138-I149 HydrophobicContact CG-CG2 4.48Å; E138-W153 HydrophobicContact CB-CH2 3.78Å; E138-W153 HydrophobicContact CB-CZ3 4.09Å; E138-W153 HydrophobicContact CG-CH2 4.1Å; E138-W153 HydrophobicContact CG-CZ3 3.94Å |
| 139 | R | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 173.1 | -69.3 | -67.2 | 135.5 | -149.1 | -15.6 | 111.4 | T76 L135 A136 Y137 R142 V143 I225 E250 | T76-R139 PolarHBondContact OG1-NH2 3.12Å; L135-R139 VanDerWaalsContact O-CG 3.3Å; L135-R139 WeakPolarHBondContact O-CG 3.48Å; L135-R139 PolarHBondContact O-N 3.3Å; A136-R139 PolarHBondContact O-N 2.95Å; Y137-R139 VanDerWaalsContact C-N 3.33Å; Y137-R139 PolarHBondContact O-N 3.01Å; R139-R142 PolarHBondContact O-N 3.04Å; R139-V143 WeakPolarHBondContact O-CB 3.39Å; R139-V143 VanDerWaalsContact O-CG2 3.3Å; R139-V143 WeakPolarHBondContact O-CG2 3.37Å; R139-V143 PolarHBondContact O-N 3Å; R139-I225 HydrophobicContact CB-CD1 3.88Å; R139-E250 IonicContact CZ-OE2 3.62Å; R139-E250 IonicContact NH1-OE1 3.71Å; R139-E250 IonicContact NH1-OE2 3.55Å; R139-E250 PolarHBondContact NH1-OE2 3Å |
| 140 | Y | 93.6 | Very high | 93.4 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 13% | 0.125 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -50.4 | 179.9 | 164.2 | -102.8 | 0 | 0 | 0 | 111.9 | A136 Y137 E138 R142 V143 V144 H145 C221 H224 | A136-Y140 WeakPolarHBondContact O-CB 3.39Å; A136-Y140 PolarHBondContact O-N 3.5Å; Y137-Y140 HydrophobicContact CD2-CD1 4.08Å; Y137-Y140 HydrophobicContact CE2-CD1 4.1Å; Y137-Y140 HydrophobicContact CE2-CE1 4.36Å; Y137-Y140 WeakPolarHBondContact O-CB 3.19Å; Y137-Y140 PolarHBondContact O-N 3.2Å; Y137-Y140 VanDerWaalsContact O-N 3.14Å; E138-Y140 VanDerWaalsContact C-N 3.35Å; Y140-R142 VanDerWaalsContact C-N 3.32Å; Y140-R142 PolarHBondContact O-N 3.27Å; Y140-V143 PolarHBondContact O-N 3.3Å; Y140-V144 HydrophobicContact CD2-CB 4.03Å; Y140-V144 HydrophobicContact CD2-CG2 3.57Å; Y140-V144 HydrophobicContact CE2-CB 4.02Å; Y140-V144 HydrophobicContact CE2-CG1 4.06Å; Y140-V144 HydrophobicContact CE2-CG2 3.86Å; Y140-V144 HydrophobicContact CG-CG2 4.48Å; Y140-V144 VanDerWaalsContact O-CB 3.25Å; Y140-V144 WeakPolarHBondContact O-CB 3.32Å; Y140-V144 WeakPolarHBondContact O-CG2 3.2Å; Y140-V144 PolarHBondContact O-N 2.99Å; Y140-H145 AromaticContact CE1-CE1 3.66Å; Y140-H145 AromaticContact CE1-ND1 3.91Å; Y140-H145 AromaticContact CZ-CE1 3.43Å; Y140-H145 VanDerWaalsContact CZ-CE1 3.43Å; Y140-H145 AromaticContact CZ-ND1 3.96Å; Y140-H145 PolarHBondContact OH-CE1 3.46Å; Y140-H145 VanDerWaalsContact OH-CE1 3.3Å; Y140-C221 HydrophobicContact CG-CB 4.36Å; Y140-H224 HydrophobicContact CD2-CB 3.87Å; Y140-H224 HydrophobicContact CE2-CB 3.5Å; Y140-H224 AromaticContact CE2-CG 3.95Å |
| 141 | I | 93.8 | Very high | 93.3 | Very high | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.3 | -31.1 | -179.8 | 62.7 | -172.1 | 0 | 0 | 0 | 112.9 | Y137 E138 H145 A146 R147 I149 W153 | Y137-I141 HydrophobicContact CD1-CD1 4.27Å; Y137-I141 HydrophobicContact CD1-CG2 4.41Å; Y137-I141 HydrophobicContact CD2-CG2 4.43Å; Y137-I141 HydrophobicContact CE1-CD1 4.04Å; Y137-I141 HydrophobicContact CE1-CG2 3.89Å; Y137-I141 HydrophobicContact CE2-CG2 3.92Å; Y137-I141 WeakPolarHBondContact O-CG1 3.39Å; Y137-I141 PolarHBondContact O-N 3.49Å; E138-I141 VanDerWaalsContact O-CG1 3.28Å; E138-I141 WeakPolarHBondContact O-CG1 3.21Å; I141-H145 CarbonylContact O-C 3.4Å; I141-H145 WeakPolarHBondContact O-CA 3.46Å; I141-H145 WeakPolarHBondContact O-CB 2.93Å; I141-H145 PolarHBondContact O-N 2.89Å; I141-A146 PolarHBondContact O-N 3.3Å; I141-R147 HydrophobicContact CB-CB 4.45Å; I141-R147 PolarHBondContact O-N 3.12Å; I141-I149 HydrophobicContact CD1-CD1 3.29Å; I141-I149 HydrophobicContact CD1-CG1 4.21Å; I141-I149 HydrophobicContact CG1-CD1 3.82Å; I141-I149 HydrophobicContact CG1-CG1 4.42Å; I141-W153 HydrophobicContact CD1-CZ2 3.99Å |
| 142 | R | 90.8 | Very high | 93.3 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 22% | 0.223 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.4 | -43.4 | 174.2 | -77.1 | -174.7 | 179.6 | -94 | 8.6 | 112.9 | E138 R139 Y140 A146 I149 | E138-R142 WeakPolarHBondContact O-CB 3.4Å; E138-R142 WeakPolarHBondContact O-CG 3.2Å; E138-R142 PolarHBondContact O-N 3.23Å; E138-R142 VanDerWaalsContact O-N 3.16Å; E138-R142 WeakPolarHBondContact OE1-CD 3.46Å; E138-R142 IonicContact OE1-CZ 3.6Å; E138-R142 IonicContact OE1-NE 2.69Å; E138-R142 PolarHBondContact OE1-NE 2.93Å; E138-R142 IonicContact OE1-NH2 3.69Å; R139-R142 PolarHBondContact O-N 3.04Å; Y140-R142 VanDerWaalsContact C-N 3.32Å; Y140-R142 PolarHBondContact O-N 3.27Å; R142-A146 VanDerWaalsContact O-CA 3.31Å; R142-A146 WeakPolarHBondContact O-CA 3.45Å; R142-A146 PolarHBondContact O-N 2.89Å; R142-I149 HydrophobicContact CG-CG1 3.83Å; R142-I149 PolarHBondContact NH2-O 3.02Å |
| 143 | V | 87.8 | Confident | 93.3 | Very high | 19 Ų | 19 | 51 Ų | 51 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -82.8 | -43.7 | -173.8 | 174.7 | 0 | 0 | 0 | 0 | 112 | R139 Y140 I225 E250 | R139-V143 WeakPolarHBondContact O-CB 3.39Å; R139-V143 VanDerWaalsContact O-CG2 3.3Å; R139-V143 WeakPolarHBondContact O-CG2 3.37Å; R139-V143 PolarHBondContact O-N 3Å; Y140-V143 PolarHBondContact O-N 3.3Å; V143-I225 HydrophobicContact CB-CG1 4.49Å; V143-I225 HydrophobicContact CG1-CG2 4.34Å; V143-E250 HydrophobicContact CG2-CB 3.97Å |
| 144 | V | 88.9 | Confident | 93.3 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 26% | 0.261 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -38.6 | -173.7 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | Y140 H224 I225 | Y140-V144 HydrophobicContact CD2-CB 4.03Å; Y140-V144 HydrophobicContact CD2-CG2 3.57Å; Y140-V144 HydrophobicContact CE2-CB 4.02Å; Y140-V144 HydrophobicContact CE2-CG1 4.06Å; Y140-V144 HydrophobicContact CE2-CG2 3.86Å; Y140-V144 HydrophobicContact CG-CG2 4.48Å; Y140-V144 VanDerWaalsContact O-CB 3.25Å; Y140-V144 WeakPolarHBondContact O-CB 3.32Å; Y140-V144 WeakPolarHBondContact O-CG2 3.2Å; Y140-V144 PolarHBondContact O-N 2.99Å; V144-H224 HydrophobicContact CG2-CB 4.39Å; V144-I225 HydrophobicContact CG2-CG1 4.28Å |
| 145 | H | 88.2 | Confident | 93.3 | Very high | 91 Ų | 91 | 55.6 Ų | 55.6 | 42% | 0.421 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -108.3 | 0.9 | -174.7 | -62.6 | 77.3 | 0 | 0 | 0 | 113.9 | Y140 I141 R147 | Y140-H145 AromaticContact CE1-CE1 3.66Å; Y140-H145 AromaticContact CE1-ND1 3.91Å; Y140-H145 AromaticContact CZ-CE1 3.43Å; Y140-H145 VanDerWaalsContact CZ-CE1 3.43Å; Y140-H145 AromaticContact CZ-ND1 3.96Å; Y140-H145 PolarHBondContact OH-CE1 3.46Å; Y140-H145 VanDerWaalsContact OH-CE1 3.3Å; I141-H145 CarbonylContact O-C 3.4Å; I141-H145 WeakPolarHBondContact O-CA 3.46Å; I141-H145 WeakPolarHBondContact O-CB 2.93Å; I141-H145 PolarHBondContact O-N 2.89Å; H145-R147 HydrophobicContact CB-CG 3.99Å; H145-R147 PolarHBondContact O-N 3.29Å |
| 146 | A | 87.4 | Confident | 93.4 | Very high | 82 Ų | 82 | 62.3 Ų | 62.3 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | trans | 50.4 | 26.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I141 R142 | I141-A146 PolarHBondContact O-N 3.3Å; R142-A146 VanDerWaalsContact O-CA 3.31Å; R142-A146 WeakPolarHBondContact O-CA 3.45Å; R142-A146 PolarHBondContact O-N 2.89Å | ||
| 147 | R | 89.3 | Confident | 93.5 | Very high | 152 Ų | 152 | 62.8 Ų | 62.8 | 57% | 0.574 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 134.3 | -177.9 | -74 | -173.4 | 177.8 | -175.7 | 0.4 | 111.1 | I141 H145 | I141-R147 HydrophobicContact CB-CB 4.45Å; I141-R147 PolarHBondContact O-N 3.12Å; H145-R147 HydrophobicContact CB-CG 3.99Å; H145-R147 PolarHBondContact O-N 3.29Å |
| 148 | V | 89.4 | Confident | 93.6 | Very high | 129 Ų | 129 | 58.7 Ų | 58.7 | 78% | 0.782 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 125.4 | 174.3 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 149 | I | 93.1 | Very high | 93.8 | Very high | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 125.7 | 176.5 | -48.8 | -57.7 | 0 | 0 | 0 | 109.3 | P75 E138 I141 R142 W153 | P75-I149 HydrophobicContact CB-CG2 4.1Å; P75-I149 WeakPolarHBondContact CG-O 3.32Å; E138-I149 HydrophobicContact CG-CG1 4.2Å; E138-I149 HydrophobicContact CG-CG2 4.48Å; I141-I149 HydrophobicContact CD1-CD1 3.29Å; I141-I149 HydrophobicContact CD1-CG1 4.21Å; I141-I149 HydrophobicContact CG1-CD1 3.82Å; I141-I149 HydrophobicContact CG1-CG1 4.42Å; R142-I149 HydrophobicContact CG-CG1 3.83Å; R142-I149 PolarHBondContact NH2-O 3.02Å; I149-W153 HydrophobicContact CD1-CD2 4.44Å; I149-W153 HydrophobicContact CG2-CB 4.06Å; I149-W153 HydrophobicContact CG2-CD2 3.68Å; I149-W153 HydrophobicContact CG2-CE3 3.27Å; I149-W153 HydrophobicContact CG2-CG 4.02Å; I149-W153 HydrophobicContact CG2-CZ3 3.98Å |
| 150 | N | 95.1 | Very high | 94 | Very high | 83 Ų | 83 | 70.1 Ų | 70.1 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | trans | -106.3 | 174.9 | 178.6 | 62.5 | 26.5 | 0 | 0 | 0 | 111.3 | P75 S152 W153 A154 | P75-N150 VanDerWaalsContact CG-C 3.46Å; N150-S152 PolarHBondContact OD1-N 3.2Å; N150-W153 PolarHBondContact O-N 3.49Å; N150-W153 WeakPolarHBondContact OD1-CB 3.33Å; N150-W153 PolarHBondContact OD1-N 3Å; N150-A154 PolarHBondContact O-N 3.36Å | ||
| 151 | F | 96.1 | Very high | 94.2 | Very high | 85 Ų | 85 | 68.8 Ų | 68.8 | 37% | 0.373 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.7 | -36.6 | -179.7 | -78.2 | -79.4 | 0 | 0 | 0 | 113.1 | R73 P75 L78 W153 A154 W155 | R73-F151 HydrophobicContact CB-CZ 4.36Å; R73-F151 WeakPolarHBondContact O-CZ 3Å; P75-F151 HydrophobicContact CG-CD1 4.28Å; P75-F151 HydrophobicContact CG-CD2 4.18Å; P75-F151 HydrophobicContact CG-CE1 4.46Å; P75-F151 HydrophobicContact CG-CE2 4.35Å; P75-F151 HydrophobicContact CG-CG 4.16Å; L78-F151 HydrophobicContact CD2-CD1 4.22Å; F151-W153 VanDerWaalsContact C-N 3.27Å; F151-W153 PolarHBondContact O-N 2.99Å; F151-A154 PolarHBondContact O-N 3.2Å; F151-A154 VanDerWaalsContact O-N 3.09Å; F151-W155 PolarHBondContact O-N 2.83Å |
| 152 | S | 97.1 | Very high | 94.5 | Very high | 77 Ų | 77 | 71.4 Ų | 71.4 | 54% | 0.538 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.9 | -34.8 | 178.6 | -45.9 | 0 | 0 | 0 | 0 | 112.1 | N150 R156 | N150-S152 PolarHBondContact OD1-N 3.2Å; S152-R156 WeakPolarHBondContact O-CB 3.49Å; S152-R156 VanDerWaalsContact O-CG 3.27Å; S152-R156 WeakPolarHBondContact O-CG 3.21Å; S152-R156 PolarHBondContact O-N 2.87Å; S152-R156 VanDerWaalsContact O-N 3.15Å; S152-R156 PolarHBondContact O-NE 3.37Å |
| 153 | W | 97.2 | Very high | 94.8 | Very high | 52 Ų | 52 | 73.6 Ų | 73.6 | 20% | 0.197 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.5 | -47 | 170.9 | -176 | 95 | 0 | 0 | 0 | 111.5 | L79 V134 Y137 E138 I141 I149 N150 F151 W155 R156 A157 | L79-W153 HydrophobicContact CD1-CZ3 4.12Å; V134-W153 HydrophobicContact CG1-CH2 3.76Å; V134-W153 HydrophobicContact CG1-CZ3 4.25Å; Y137-W153 HydrophobicContact CD1-CZ2 4.1Å; Y137-W153 HydrophobicContact CE1-CZ2 4.33Å; E138-W153 HydrophobicContact CB-CH2 3.78Å; E138-W153 HydrophobicContact CB-CZ3 4.09Å; E138-W153 HydrophobicContact CG-CH2 4.1Å; E138-W153 HydrophobicContact CG-CZ3 3.94Å; I141-W153 HydrophobicContact CD1-CZ2 3.99Å; I149-W153 HydrophobicContact CD1-CD2 4.44Å; I149-W153 HydrophobicContact CG2-CB 4.06Å; I149-W153 HydrophobicContact CG2-CD2 3.68Å; I149-W153 HydrophobicContact CG2-CE3 3.27Å; I149-W153 HydrophobicContact CG2-CG 4.02Å; I149-W153 HydrophobicContact CG2-CZ3 3.98Å; N150-W153 PolarHBondContact O-N 3.49Å; N150-W153 WeakPolarHBondContact OD1-CB 3.33Å; N150-W153 PolarHBondContact OD1-N 3Å; F151-W153 VanDerWaalsContact C-N 3.27Å; F151-W153 PolarHBondContact O-N 2.99Å; W153-W155 PolarHBondContact O-N 3.07Å; W153-R156 PolarHBondContact O-N 3.19Å; W153-A157 HydrophobicContact CE3-CB 4.36Å; W153-A157 HydrophobicContact CH2-CB 4.26Å; W153-A157 HydrophobicContact CZ3-CB 4.14Å; W153-A157 WeakPolarHBondContact O-CB 3.45Å; W153-A157 PolarHBondContact O-N 2.7Å |
| 154 | A | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | P75 L78 N150 F151 A157 I158 | P75-A154 HydrophobicContact CB-CB 4Å; L78-A154 HydrophobicContact CD2-CB 4.03Å; N150-A154 PolarHBondContact O-N 3.36Å; F151-A154 PolarHBondContact O-N 3.2Å; F151-A154 VanDerWaalsContact O-N 3.09Å; A154-A157 PolarHBondContact O-N 2.92Å; A154-I158 WeakPolarHBondContact O-CG1 3.28Å; A154-I158 PolarHBondContact O-N 3.31Å |
| 155 | W | 97.9 | Very high | 95.8 | Very high | 144 Ų | 144 | 74.4 Ų | 74.4 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 176 | -81.9 | 117.4 | 0 | 0 | 0 | 113.1 | L78 F151 W153 A157 I158 T159 | L78-W155 HydrophobicContact CD1-CZ2 4.27Å; L78-W155 HydrophobicContact CD2-CD2 4.1Å; L78-W155 HydrophobicContact CD2-CG 4.31Å; L78-W155 HydrophobicContact CD2-CZ2 4.2Å; F151-W155 PolarHBondContact O-N 2.83Å; W153-W155 PolarHBondContact O-N 3.07Å; W155-A157 VanDerWaalsContact C-N 3.33Å; W155-I158 PolarHBondContact O-N 3.48Å; W155-T159 WeakPolarHBondContact O-CB 3.38Å; W155-T159 PolarHBondContact O-N 3.31Å; W155-T159 PolarHBondContact O-OG1 2.9Å |
| 156 | R | 98 | Very high | 96.3 | Very high | 142 Ų | 142 | 73.7 Ų | 73.7 | 54% | 0.536 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 172 | -74.8 | -178.3 | -64.3 | 166 | -0.1 | 111 | S152 W153 I158 T159 Y160 | S152-R156 WeakPolarHBondContact O-CB 3.49Å; S152-R156 VanDerWaalsContact O-CG 3.27Å; S152-R156 WeakPolarHBondContact O-CG 3.21Å; S152-R156 PolarHBondContact O-N 2.87Å; S152-R156 VanDerWaalsContact O-N 3.15Å; S152-R156 PolarHBondContact O-NE 3.37Å; W153-R156 PolarHBondContact O-N 3.19Å; R156-I158 PolarHBondContact O-N 2.87Å; R156-T159 WeakPolarHBondContact O-CB 3.46Å; R156-T159 PolarHBondContact O-N 3.23Å; R156-Y160 HydrophobicContact CB-CE2 4.28Å; R156-Y160 WeakPolarHBondContact O-CD2 3.48Å; R156-Y160 PolarHBondContact O-N 3.19Å |
| 157 | A | 98.1 | Very high | 96.8 | Very high | 11 Ų | 11 | 73 Ų | 73 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.6 | -44 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V134 W153 A154 W155 Y160 I161 | V134-A157 HydrophobicContact CG1-CB 3.83Å; W153-A157 HydrophobicContact CE3-CB 4.36Å; W153-A157 HydrophobicContact CH2-CB 4.26Å; W153-A157 HydrophobicContact CZ3-CB 4.14Å; W153-A157 WeakPolarHBondContact O-CB 3.45Å; W153-A157 PolarHBondContact O-N 2.7Å; A154-A157 PolarHBondContact O-N 2.92Å; W155-A157 VanDerWaalsContact C-N 3.33Å; A157-Y160 PolarHBondContact O-N 3.17Å; A157-I161 WeakPolarHBondContact O-CD1 3.4Å; A157-I161 VanDerWaalsContact O-CG1 3.26Å; A157-I161 WeakPolarHBondContact O-CG1 3.36Å; A157-I161 PolarHBondContact O-N 3.24Å |
| 158 | I | 98.6 | Very high | 97.2 | Very high | 12 Ų | 12 | 67.8 Ų | 67.8 | 6% | 0.062 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 173.8 | -71.5 | 169.7 | 0 | 0 | 0 | 110.5 | L78 L79 N82 A154 W155 R156 Y160 I161 W162 | L78-I158 HydrophobicContact CD1-CD1 4.45Å; L78-I158 HydrophobicContact CD2-CD1 4.07Å; L78-I158 HydrophobicContact CG-CD1 3.74Å; L79-I158 HydrophobicContact CD2-CD1 4.34Å; L79-I158 HydrophobicContact CD2-CG1 3.87Å; N82-I158 HydrophobicContact CB-CD1 4.17Å; N82-I158 HydrophobicContact CB-CG1 4.25Å; A154-I158 WeakPolarHBondContact O-CG1 3.28Å; A154-I158 PolarHBondContact O-N 3.31Å; W155-I158 PolarHBondContact O-N 3.48Å; R156-I158 PolarHBondContact O-N 2.87Å; I158-Y160 VanDerWaalsContact C-N 3.3Å; I158-Y160 PolarHBondContact O-N 3.16Å; I158-I161 WeakPolarHBondContact O-CB 3.28Å; I158-I161 PolarHBondContact O-N 3.44Å; I158-I161 VanDerWaalsContact O-N 3.09Å; I158-W162 VanDerWaalsContact O-CD1 3.23Å; I158-W162 PolarHBondContact O-N 3.02Å |
| 159 | T | 98.4 | Very high | 97.6 | Very high | 76 Ų | 76 | 61.7 Ų | 61.7 | 47% | 0.466 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.2 | -46.5 | 177.4 | -53.7 | 0 | 0 | 0 | 0 | 111 | W155 R156 I161 W162 L163 | W155-T159 WeakPolarHBondContact O-CB 3.38Å; W155-T159 PolarHBondContact O-N 3.31Å; W155-T159 PolarHBondContact O-OG1 2.9Å; R156-T159 WeakPolarHBondContact O-CB 3.46Å; R156-T159 PolarHBondContact O-N 3.23Å; T159-I161 PolarHBondContact O-N 3.16Å; T159-W162 PolarHBondContact O-N 3.02Å; T159-L163 HydrophobicContact CG2-CD1 4.03Å; T159-L163 HydrophobicContact CG2-CG 4.48Å; T159-L163 WeakPolarHBondContact O-CB 3.23Å; T159-L163 VanDerWaalsContact O-CG 3.3Å; T159-L163 WeakPolarHBondContact O-CG 3.21Å; T159-L163 PolarHBondContact O-N 3.42Å |
| 160 | Y | 98.1 | Very high | 97.8 | Very high | 164 Ų | 164 | 61.7 Ų | 61.7 | 64% | 0.643 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 175.3 | -71 | -59.2 | 0 | 0 | 0 | 113 | R156 A157 I158 W162 L163 Y164 | R156-Y160 HydrophobicContact CB-CE2 4.28Å; R156-Y160 WeakPolarHBondContact O-CD2 3.48Å; R156-Y160 PolarHBondContact O-N 3.19Å; A157-Y160 PolarHBondContact O-N 3.17Å; I158-Y160 VanDerWaalsContact C-N 3.3Å; I158-Y160 PolarHBondContact O-N 3.16Å; Y160-W162 PolarHBondContact O-N 3.17Å; Y160-L163 PolarHBondContact O-N 3.48Å; Y160-Y164 WeakPolarHBondContact O-CB 3.49Å; Y160-Y164 PolarHBondContact O-N 3.4Å |
| 161 | I | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.3 | -49.4 | 176.7 | -72.3 | 158 | 0 | 0 | 0 | 110.4 | L79 V127 A130 T131 V134 A157 I158 T159 Y164 S165 | L79-I161 HydrophobicContact CD2-CD1 4.48Å; V127-I161 HydrophobicContact CB-CG2 4.29Å; V127-I161 HydrophobicContact CG1-CG2 3.94Å; V127-I161 HydrophobicContact CG2-CG2 4.31Å; A130-I161 HydrophobicContact CB-CG1 4.24Å; A130-I161 HydrophobicContact CB-CG2 3.98Å; T131-I161 HydrophobicContact CG2-CD1 4.26Å; V134-I161 HydrophobicContact CB-CD1 4.05Å; V134-I161 HydrophobicContact CG1-CD1 4.31Å; V134-I161 HydrophobicContact CG2-CD1 3.84Å; V134-I161 HydrophobicContact CG2-CG1 3.92Å; A157-I161 WeakPolarHBondContact O-CD1 3.4Å; A157-I161 VanDerWaalsContact O-CG1 3.26Å; A157-I161 WeakPolarHBondContact O-CG1 3.36Å; A157-I161 PolarHBondContact O-N 3.24Å; I158-I161 WeakPolarHBondContact O-CB 3.28Å; I158-I161 PolarHBondContact O-N 3.44Å; I158-I161 VanDerWaalsContact O-N 3.09Å; T159-I161 PolarHBondContact O-N 3.16Å; I161-Y164 PolarHBondContact O-N 3.4Å; I161-S165 WeakPolarHBondContact O-CB 3.35Å; I161-S165 PolarHBondContact O-N 2.86Å; I161-S165 PolarHBondContact O-OG 3.1Å |
| 162 | W | 98.6 | Very high | 98 | Very high | 62 Ų | 62 | 54.7 Ų | 54.7 | 24% | 0.235 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68 | -42.9 | -177.9 | -78.6 | 90.6 | 0 | 0 | 0 | 112.4 | N82 L85 L89 L123 F124 V127 I158 T159 Y160 Y164 S165 L166 | N82-W162 PolarHBondContact OD1-NE1 2.76Å; L85-W162 HydrophobicContact CD2-CZ2 4.36Å; L89-W162 HydrophobicContact CD1-CH2 4.11Å; L123-W162 HydrophobicContact CD2-CZ3 4.4Å; F124-W162 HydrophobicContact CD1-CH2 4.2Å; F124-W162 HydrophobicContact CD1-CZ3 4.4Å; F124-W162 AromaticContact CE1-CH2 3.85Å; F124-W162 HydrophobicContact CE1-CH2 3.85Å; F124-W162 AromaticContact CE1-CZ3 3.95Å; F124-W162 HydrophobicContact CE1-CZ3 3.95Å; V127-W162 HydrophobicContact CG1-CZ2 4.44Å; V127-W162 HydrophobicContact CG2-CD2 4.19Å; V127-W162 HydrophobicContact CG2-CE3 4.18Å; V127-W162 HydrophobicContact CG2-CZ3 4.43Å; I158-W162 VanDerWaalsContact O-CD1 3.23Å; I158-W162 PolarHBondContact O-N 3.02Å; T159-W162 PolarHBondContact O-N 3.02Å; Y160-W162 PolarHBondContact O-N 3.17Å; W162-Y164 VanDerWaalsContact C-N 3.34Å; W162-Y164 PolarHBondContact O-N 3.36Å; W162-S165 PolarHBondContact O-N 3.41Å; W162-L166 VanDerWaalsContact O-CB 3.28Å; W162-L166 WeakPolarHBondContact O-CB 3.47Å; W162-L166 VanDerWaalsContact O-CG 3.27Å; W162-L166 WeakPolarHBondContact O-CG 3.45Å; W162-L166 PolarHBondContact O-N 3.49Å |
| 163 | L | 98.5 | Very high | 98 | Very high | 105 Ų | 105 | 55.2 Ų | 55.2 | 55% | 0.55 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.6 | -69.2 | 175.3 | 0 | 0 | 0 | 111.7 | T159 Y160 L166 A167 | T159-L163 HydrophobicContact CG2-CD1 4.03Å; T159-L163 HydrophobicContact CG2-CG 4.48Å; T159-L163 WeakPolarHBondContact O-CB 3.23Å; T159-L163 VanDerWaalsContact O-CG 3.3Å; T159-L163 WeakPolarHBondContact O-CG 3.21Å; T159-L163 PolarHBondContact O-N 3.42Å; Y160-L163 PolarHBondContact O-N 3.48Å; L163-L166 PolarHBondContact O-N 2.82Å; L163-A167 WeakPolarHBondContact O-CB 3.41Å; L163-A167 PolarHBondContact O-N 3.2Å |
| 164 | Y | 98.4 | Very high | 97.9 | Very high | 79 Ų | 79 | 60.2 Ų | 60.2 | 31% | 0.31 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -49.6 | 175.7 | 179.5 | -102.9 | 0 | 0 | 0 | 111.6 | I126 A130 Y160 I161 W162 L166 A167 W168 G209 | I126-Y164 HydrophobicContact CG2-CD1 4.01Å; I126-Y164 HydrophobicContact CG2-CE1 3.94Å; A130-Y164 HydrophobicContact CB-CD1 4.27Å; Y160-Y164 WeakPolarHBondContact O-CB 3.49Å; Y160-Y164 PolarHBondContact O-N 3.4Å; I161-Y164 PolarHBondContact O-N 3.4Å; W162-Y164 VanDerWaalsContact C-N 3.34Å; W162-Y164 PolarHBondContact O-N 3.36Å; Y164-L166 PolarHBondContact O-N 2.88Å; Y164-A167 PolarHBondContact O-N 3.08Å; Y164-W168 AromaticContact CD2-NE1 3.85Å; Y164-W168 AromaticContact CE1-CD1 3.66Å; Y164-W168 AromaticContact CE1-NE1 3.71Å; Y164-W168 AromaticContact CE2-CD1 3.71Å; Y164-W168 AromaticContact CE2-NE1 3.11Å; Y164-W168 AromaticContact CZ-CD1 3.49Å; Y164-W168 VanDerWaalsContact CZ-CD1 3.49Å; Y164-W168 AromaticContact CZ-NE1 3.03Å; Y164-W168 VanDerWaalsContact O-CD1 3.24Å; Y164-W168 PolarHBondContact O-N 2.98Å; Y164-W168 PolarHBondContact OH-NE1 3.09Å; Y164-G209 PolarHBondContact OH-O 2.82Å |
| 165 | S | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.9 | -37 | 179.9 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | I126 V127 I161 W162 W168 A169 | I126-S165 WeakPolarHBondContact CG2-OG 3.2Å; V127-S165 WeakPolarHBondContact CA-OG 3.05Å; V127-S165 VanDerWaalsContact CG2-OG 3.29Å; V127-S165 WeakPolarHBondContact CG2-OG 3.29Å; V127-S165 PolarHBondContact N-OG 3.22Å; I161-S165 WeakPolarHBondContact O-CB 3.35Å; I161-S165 PolarHBondContact O-N 2.86Å; I161-S165 PolarHBondContact O-OG 3.1Å; W162-S165 PolarHBondContact O-N 3.41Å; S165-W168 PolarHBondContact O-N 3.21Å; S165-A169 VanDerWaalsContact O-CB 3.29Å; S165-A169 WeakPolarHBondContact O-CB 3.28Å; S165-A169 PolarHBondContact O-N 2.92Å |
| 166 | L | 98.3 | Very high | 97.7 | Very high | 76 Ų | 76 | 59.8 Ų | 59.8 | 40% | 0.398 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 174.6 | -78.8 | 168 | 0 | 0 | 0 | 112 | F119 L123 W162 L163 Y164 G170 | F119-L166 HydrophobicContact CZ-CD2 4.1Å; L123-L166 HydrophobicContact CD1-CD2 3.82Å; L123-L166 HydrophobicContact CD1-CG 3.9Å; L123-L166 HydrophobicContact CD2-CD2 4.1Å; W162-L166 VanDerWaalsContact O-CB 3.28Å; W162-L166 WeakPolarHBondContact O-CB 3.47Å; W162-L166 VanDerWaalsContact O-CG 3.27Å; W162-L166 WeakPolarHBondContact O-CG 3.45Å; W162-L166 PolarHBondContact O-N 3.49Å; L163-L166 PolarHBondContact O-N 2.82Å; Y164-L166 PolarHBondContact O-N 2.88Å; L166-G170 VanDerWaalsContact O-CA 3.26Å; L166-G170 WeakPolarHBondContact O-CA 3.24Å; L166-G170 PolarHBondContact O-N 3.47Å |
| 167 | A | 98.1 | Very high | 97.7 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L163 Y164 A171 | L163-A167 WeakPolarHBondContact O-CB 3.41Å; L163-A167 PolarHBondContact O-N 3.2Å; Y164-A167 PolarHBondContact O-N 3.08Å; A167-A171 PolarHBondContact O-N 3.32Å; A167-A171 VanDerWaalsContact O-N 3.16Å |
| 168 | W | 98.1 | Very high | 97.6 | Very high | 43 Ų | 43 | 58.2 Ų | 58.2 | 16% | 0.163 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -72 | -46.5 | 179.2 | -75 | 112.2 | 0 | 0 | 0 | 113.9 | I126 Y164 S165 G170 P172 F202 F205 L206 C210 | I126-W168 HydrophobicContact CD1-CB 3.6Å; I126-W168 HydrophobicContact CD1-CG 4.5Å; Y164-W168 AromaticContact CD2-NE1 3.85Å; Y164-W168 AromaticContact CE1-CD1 3.66Å; Y164-W168 AromaticContact CE1-NE1 3.71Å; Y164-W168 AromaticContact CE2-CD1 3.71Å; Y164-W168 AromaticContact CE2-NE1 3.11Å; Y164-W168 AromaticContact CZ-CD1 3.49Å; Y164-W168 VanDerWaalsContact CZ-CD1 3.49Å; Y164-W168 AromaticContact CZ-NE1 3.03Å; Y164-W168 VanDerWaalsContact O-CD1 3.24Å; Y164-W168 PolarHBondContact O-N 2.98Å; Y164-W168 PolarHBondContact OH-NE1 3.09Å; S165-W168 PolarHBondContact O-N 3.21Å; W168-G170 VanDerWaalsContact C-N 3.31Å; W168-P172 WeakPolarHBondContact O-CD 3.09Å; W168-F202 HydrophobicContact CE3-CE2 4.09Å; W168-F202 HydrophobicContact CZ3-CE2 4.47Å; W168-F205 HydrophobicContact CH2-CB 3.88Å; W168-F205 VanDerWaalsContact CH2-O 3.27Å; W168-F205 WeakPolarHBondContact CH2-O 3.37Å; W168-F205 HydrophobicContact CZ3-CB 3.95Å; W168-L206 HydrophobicContact CB-CD1 4.21Å; W168-L206 HydrophobicContact CD2-CD1 4.21Å; W168-L206 HydrophobicContact CE3-CB 4.43Å; W168-L206 HydrophobicContact CE3-CD1 3.85Å; W168-L206 HydrophobicContact CG-CD1 4.39Å; W168-L206 HydrophobicContact CZ3-CB 4.42Å; W168-C210 VanDerWaalsContact CG-SG 3.52Å |
| 169 | A | 97.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.1 | -26 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | F119 L123 S165 P172 Y179 | F119-A169 HydrophobicContact CD2-CB 3.98Å; F119-A169 WeakPolarHBondContact CD2-O 3.27Å; F119-A169 HydrophobicContact CE2-CB 3.91Å; L123-A169 HydrophobicContact CB-CB 3.83Å; L123-A169 HydrophobicContact CD1-CB 4.34Å; S165-A169 VanDerWaalsContact O-CB 3.29Å; S165-A169 WeakPolarHBondContact O-CB 3.28Å; S165-A169 PolarHBondContact O-N 2.92Å; A169-P172 WeakPolarHBondContact O-CD 3.37Å; A169-Y179 PolarHBondContact O-OH 3.5Å |
| 170 | G | 97.9 | Very high | 97.4 | Very high | 14 Ų | 14 | 57 Ų | 57 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -79.9 | -25.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L166 W168 L173 L174 | L166-G170 VanDerWaalsContact O-CA 3.26Å; L166-G170 WeakPolarHBondContact O-CA 3.24Å; L166-G170 PolarHBondContact O-N 3.47Å; W168-G170 VanDerWaalsContact C-N 3.31Å; G170-L173 WeakPolarHBondContact O-CA 3.38Å; G170-L173 VanDerWaalsContact O-CB 3.28Å; G170-L173 WeakPolarHBondContact O-CB 3.37Å; G170-L173 PolarHBondContact O-N 2.98Å; G170-L174 PolarHBondContact O-N 3.49Å |
| 171 | A | 97.4 | Very high | 97.2 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -54 | -44.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | A167 L173 L174 G175 W176 F202 | A167-A171 PolarHBondContact O-N 3.32Å; A167-A171 VanDerWaalsContact O-N 3.16Å; A171-L173 PolarHBondContact O-N 3Å; A171-L174 CarbonylContact O-C 3.58Å; A171-L174 WeakPolarHBondContact O-CA 3.21Å; A171-L174 PolarHBondContact O-N 2.86Å; A171-G175 PolarHBondContact O-N 3.35Å; A171-W176 CarbonylContact C-O 3.52Å; A171-W176 HydrophobicContact CB-CB 4.26Å; A171-W176 HydrophobicContact CB-CE3 4Å; A171-W176 PolarHBondContact O-N 3.14Å; A171-F202 HydrophobicContact CB-CD2 4.14Å; A171-F202 HydrophobicContact CB-CE2 3.57Å; A171-F202 HydrophobicContact CB-CZ 4.43Å |
| 172 | P | 97.1 | Very high | 97 | Very high | 10 Ų | 10 | 53 Ų | 53 | 7% | 0.065 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -62.2 | -26 | 173.6 | -25.7 | 35.1 | 0 | 0 | 0 | 114.5 | W168 A169 L174 G175 W176 N177 Y179 V190 F202 | W168-P172 WeakPolarHBondContact O-CD 3.09Å; A169-P172 WeakPolarHBondContact O-CD 3.37Å; P172-L174 VanDerWaalsContact C-N 3.3Å; P172-G175 PolarHBondContact O-N 3.41Å; P172-W176 VanDerWaalsContact CA-O 3.24Å; P172-W176 WeakPolarHBondContact CA-O 2.99Å; P172-N177 WeakPolarHBondContact CA-O 3.4Å; P172-N177 HydrophobicContact CB-CB 4.46Å; P172-N177 HydrophobicContact CG-CB 4.36Å; P172-N177 VanDerWaalsContact O-O 3.1Å; P172-Y179 HydrophobicContact CB-CD2 4.06Å; P172-Y179 HydrophobicContact CB-CE2 3.73Å; P172-Y179 HydrophobicContact CG-CE2 4.16Å; P172-V190 HydrophobicContact CG-CG1 4.15Å; P172-F202 HydrophobicContact CG-CE1 3.74Å; P172-F202 HydrophobicContact CG-CE2 4.21Å; P172-F202 HydrophobicContact CG-CZ 3.53Å |
| 173 | L | 96.8 | Very high | 96.7 | Very high | 87 Ų | 87 | 51.5 Ų | 51.5 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -75.1 | -23.8 | 174.5 | -53.1 | -178.9 | 0 | 0 | 0 | 112.1 | V115 F119 G170 A171 Y179 | V115-L173 HydrophobicContact CG1-CD2 3.4Å; V115-L173 VanDerWaalsContact CG1-CD2 3.4Å; F119-L173 HydrophobicContact CD2-CD1 3.67Å; F119-L173 HydrophobicContact CD2-CG 4.3Å; F119-L173 HydrophobicContact CE2-CD1 3.9Å; F119-L173 HydrophobicContact CG-CD1 4.25Å; G170-L173 WeakPolarHBondContact O-CA 3.38Å; G170-L173 VanDerWaalsContact O-CB 3.28Å; G170-L173 WeakPolarHBondContact O-CB 3.37Å; G170-L173 PolarHBondContact O-N 2.98Å; A171-L173 PolarHBondContact O-N 3Å; L173-Y179 HydrophobicContact CD2-CD2 3.86Å; L173-Y179 HydrophobicContact CD2-CE2 3.9Å; L173-Y179 HydrophobicContact CG-CE2 4.34Å |
| 174 | L | 96.8 | Very high | 96.5 | Very high | 157 Ų | 157 | 46.5 Ų | 46.5 | 82% | 0.822 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -92.8 | 5.1 | 177.6 | -58.8 | 176.5 | 0 | 0 | 0 | 112.7 | G170 A171 P172 | G170-L174 PolarHBondContact O-N 3.49Å; A171-L174 CarbonylContact O-C 3.58Å; A171-L174 WeakPolarHBondContact O-CA 3.21Å; A171-L174 PolarHBondContact O-N 2.86Å; P172-L174 VanDerWaalsContact C-N 3.3Å |
| 175 | G | 94.3 | Very high | 96.2 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 49% | 0.485 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A171 P172 N177 N198 | A171-G175 PolarHBondContact O-N 3.35Å; P172-G175 PolarHBondContact O-N 3.41Å; G175-N177 PolarHBondContact O-N 2.9Å; G175-N198 PolarHBondContact O-ND2 2.82Å |
| 176 | W | 96.6 | Very high | 96.1 | Very high | 88 Ų | 88 | 43.2 Ų | 43.2 | 33% | 0.333 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -90.6 | 90.5 | 169.8 | -164.8 | 22 | 0 | 0 | 0 | 109.3 | A171 P172 N198 S201 F202 F205 | A171-W176 CarbonylContact C-O 3.52Å; A171-W176 HydrophobicContact CB-CB 4.26Å; A171-W176 HydrophobicContact CB-CE3 4Å; A171-W176 PolarHBondContact O-N 3.14Å; P172-W176 VanDerWaalsContact CA-O 3.24Å; P172-W176 WeakPolarHBondContact CA-O 2.99Å; W176-N198 VanDerWaalsContact CD1-OD1 3.3Å; W176-N198 PolarHBondContact NE1-O 3.31Å; W176-S201 PolarHBondContact NE1-OG 2.95Å; W176-S201 VanDerWaalsContact NE1-OG 3.1Å; W176-F202 HydrophobicContact CD2-CB 4.16Å; W176-F202 AromaticContact CD2-CD2 3.74Å; W176-F202 HydrophobicContact CD2-CD2 3.74Å; W176-F202 HydrophobicContact CD2-CG 4.42Å; W176-F202 AromaticContact CE3-CD2 3.93Å; W176-F202 HydrophobicContact CE3-CD2 3.93Å; W176-F202 HydrophobicContact CG-CB 4.04Å; W176-F202 AromaticContact CG-CD2 3.99Å; W176-F202 HydrophobicContact CG-CD2 3.99Å; W176-F202 HydrophobicContact CG-CG 4.39Å; W176-F202 HydrophobicContact CZ3-CD2 4.46Å; W176-F205 HydrophobicContact CH2-CB 4.18Å; W176-F205 HydrophobicContact CH2-CD2 4.02Å; W176-F205 HydrophobicContact CH2-CG 4.2Å; W176-F205 HydrophobicContact CZ2-CB 4.33Å; W176-F205 AromaticContact CZ2-CD2 3.65Å; W176-F205 HydrophobicContact CZ2-CD2 3.65Å; W176-F205 HydrophobicContact CZ2-CE2 4.34Å; W176-F205 HydrophobicContact CZ2-CG 4.25Å |
| 177 | N | 96.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 74.9 | -176.6 | -161.5 | -155 | -79.8 | 0 | 0 | 0 | 113 | P172 G175 D191 D199 F202 | P172-N177 WeakPolarHBondContact CA-O 3.4Å; P172-N177 HydrophobicContact CB-CB 4.46Å; P172-N177 HydrophobicContact CG-CB 4.36Å; P172-N177 VanDerWaalsContact O-O 3.1Å; G175-N177 PolarHBondContact O-N 2.9Å; N177-D191 PolarHBondContact ND2-O 3.05Å; N177-D191 PolarHBondContact OD1-N 2.97Å; N177-D199 WeakPolarHBondContact CA-OD1 3.4Å; N177-D199 PolarHBondContact ND2-O 2.82Å; N177-D199 VanDerWaalsContact ND2-O 3.1Å; N177-F202 HydrophobicContact CB-CB 3.82Å; N177-F202 HydrophobicContact CB-CD1 3.28Å; N177-F202 HydrophobicContact CB-CE1 3.95Å; N177-F202 HydrophobicContact CB-CG 3.63Å |
| 178 | R | 96.4 | Very high | 95.8 | Very high | 118 Ų | 118 | 36.9 Ų | 36.9 | 45% | 0.445 | 20% | 0.196 | S | C | . | . | trans | -152.6 | 154.9 | -177.8 | 68.1 | -169.6 | 84.5 | 170.4 | 12.6 | 111.1 | I180 D191 D196 D199 | R178-I180 HydrophobicContact CG-CG2 3.86Å; R178-D191 HydrophobicContact CG-CB 3.91Å; R178-D191 PolarHBondContact O-N 3.32Å; R178-D196 IonicContact NH2-OD2 3.69Å; R178-D199 IonicContact CZ-OD2 3.82Å; R178-D199 IonicContact NE-OD2 3.63Å; R178-D199 IonicContact NH2-OD2 2.63Å; R178-D199 PolarHBondContact NH2-OD2 3.47Å | ||
| 179 | Y | 97.1 | Very high | 95.6 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 7% | 0.071 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 125.1 | 173.8 | -72.2 | -65.8 | 0 | 0 | 0 | 111.1 | V115 G118 F119 S122 A169 P172 L173 T189 V190 | V115-Y179 HydrophobicContact CG1-CD2 4.29Å; G118-Y179 VanDerWaalsContact C-CD1 3.47Å; G118-Y179 WeakPolarHBondContact O-CE1 3.26Å; F119-Y179 VanDerWaalsContact CA-CZ 3.46Å; F119-Y179 HydrophobicContact CB-CD2 4.33Å; F119-Y179 HydrophobicContact CB-CE2 3.79Å; F119-Y179 HydrophobicContact CD2-CE2 4.43Å; S122-Y179 WeakPolarHBondContact CB-OH 3.47Å; S122-Y179 WeakPolarHBondContact OG-CE1 3.33Å; S122-Y179 PolarHBondContact OG-OH 3.07Å; A169-Y179 PolarHBondContact O-OH 3.5Å; P172-Y179 HydrophobicContact CB-CD2 4.06Å; P172-Y179 HydrophobicContact CB-CE2 3.73Å; P172-Y179 HydrophobicContact CG-CE2 4.16Å; L173-Y179 HydrophobicContact CD2-CD2 3.86Å; L173-Y179 HydrophobicContact CD2-CE2 3.9Å; L173-Y179 HydrophobicContact CG-CE2 4.34Å; Y179-T189 CarbonylContact C-O 3.54Å; Y179-T189 WeakPolarHBondContact CA-O 3.32Å; Y179-V190 HydrophobicContact CD1-CG1 3.95Å; Y179-V190 HydrophobicContact CE1-CB 4.49Å; Y179-V190 HydrophobicContact CE1-CG1 3.38Å |
| 180 | I | 95.6 | Very high | 95.5 | Very high | 44 Ų | 44 | 35.5 Ų | 35.5 | 23% | 0.226 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 164.1 | -178.7 | 63.6 | 164.5 | 0 | 0 | 0 | 111.4 | R178 D182 C188 T189 D191 | R178-I180 HydrophobicContact CG-CG2 3.86Å; I180-D182 PolarHBondContact O-N 3.46Å; I180-C188 CarbonylContact O-C 3.31Å; I180-C188 WeakPolarHBondContact O-CA 3.21Å; I180-C188 WeakPolarHBondContact O-CB 3.45Å; I180-T189 PolarHBondContact N-O 3.49Å; I180-T189 PolarHBondContact O-N 3.35Å; I180-T189 VanDerWaalsContact O-O 3.12Å; I180-D191 HydrophobicContact CD1-CB 3.89Å; I180-D191 WeakPolarHBondContact CD1-OD1 3.45Å; I180-D191 HydrophobicContact CG1-CB 4.04Å; I180-D191 HydrophobicContact CG2-CB 4.27Å |
| 181 | L | 95.1 | Very high | 95.4 | Very high | 67 Ų | 67 | 35.6 Ų | 35.6 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 128.7 | 172.1 | -167.2 | 69.7 | 0 | 0 | 0 | 110.6 | W107 G187 | W107-L181 HydrophobicContact CB-CD1 3.84Å; W107-L181 HydrophobicContact CB-CD2 4.21Å; W107-L181 HydrophobicContact CD2-CD1 3.61Å; W107-L181 HydrophobicContact CE3-CD1 4.01Å; W107-L181 HydrophobicContact CG-CD1 3.54Å; W107-L181 HydrophobicContact CG-CD2 4.47Å; L181-G187 WeakPolarHBondContact CD1-O 3.48Å |
| 182 | D | 93.8 | Very high | 95 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | trans | -67.8 | 164.6 | 179.6 | -155.7 | -17.1 | 0 | 0 | 0 | 111.1 | I180 H184 G185 G187 T189 Y271 | I180-D182 PolarHBondContact O-N 3.46Å; D182-H184 PolarHBondContact O-N 3.12Å; D182-H184 VanDerWaalsContact O-N 3.13Å; D182-H184 IonicContact OD2-CD2 3.58Å; D182-H184 IonicContact OD2-NE2 2.89Å; D182-G185 PolarHBondContact O-N 3.04Å; D182-G187 WeakPolarHBondContact CB-O 3.48Å; D182-G187 PolarHBondContact N-O 3.34Å; D182-T189 HydrophobicContact CB-CG2 3.77Å; D182-Y271 WeakPolarHBondContact OD2-CE2 3.22Å; D182-Y271 PolarHBondContact OD2-OH 2.97Å | ||
| 183 | V | 92.7 | Very high | 94.6 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 19% | 0.188 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -34 | -180 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | G185 V286 | V183-G185 VanDerWaalsContact C-N 3.29Å; V183-G185 PolarHBondContact O-N 3.38Å; V183-V286 HydrophobicContact CG1-CG1 4.26Å; V183-V286 HydrophobicContact CG2-CG1 4.29Å |
| 184 | H | 92.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -8 | 177.8 | 63.1 | 72.5 | 0 | 0 | 0 | 114.6 | F36 D182 L186 G187 S291 I292 Y295 | F36-H184 WeakPolarHBondContact CE2-O 3.36Å; F36-H184 HydrophobicContact CZ-CB 4.45Å; D182-H184 PolarHBondContact O-N 3.12Å; D182-H184 VanDerWaalsContact O-N 3.13Å; D182-H184 IonicContact OD2-CD2 3.58Å; D182-H184 IonicContact OD2-NE2 2.89Å; H184-L186 VanDerWaalsContact C-N 3.32Å; H184-L186 WeakPolarHBondContact ND1-CB 3.24Å; H184-L186 PolarHBondContact ND1-N 3.11Å; H184-L186 VanDerWaalsContact ND1-N 3.15Å; H184-L186 PolarHBondContact O-N 3.23Å; H184-G187 PolarHBondContact CE1-N 2.9Å; H184-G187 VanDerWaalsContact CE1-N 3.33Å; H184-S291 PolarHBondContact CD2-OG 2.93Å; H184-S291 VanDerWaalsContact CD2-OG 3.28Å; H184-I292 HydrophobicContact CB-CB 3.77Å; H184-I292 HydrophobicContact CB-CD1 4.27Å; H184-Y295 AromaticContact NE2-CD2 3.59Å; H184-Y295 AromaticContact NE2-CG 3.65Å |
| 185 | G | 93.7 | Very high | 93.9 | Very high | 9 Ų | 9 | 36.9 Ų | 36.9 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 68.2 | 21.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | D182 V183 | D182-G185 PolarHBondContact O-N 3.04Å; V183-G185 VanDerWaalsContact C-N 3.29Å; V183-G185 PolarHBondContact O-N 3.38Å |
| 186 | L | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -129.4 | -0.5 | -175 | -68.9 | 169.3 | 0 | 0 | 0 | 114 | F36 Y41 L44 T98 W107 H184 I292 | F36-L186 HydrophobicContact CD2-CD1 4.35Å; F36-L186 HydrophobicContact CE2-CD1 4.04Å; Y41-L186 HydrophobicContact CD1-CD1 4.28Å; Y41-L186 HydrophobicContact CD1-CD2 4.34Å; Y41-L186 HydrophobicContact CE1-CD1 3.95Å; Y41-L186 HydrophobicContact CE1-CD2 3.81Å; Y41-L186 HydrophobicContact CE1-CG 4.25Å; L44-L186 HydrophobicContact CD1-CD1 4.03Å; T98-L186 WeakPolarHBondContact CA-O 3.44Å; T98-L186 HydrophobicContact CG2-CB 3.91Å; T98-L186 WeakPolarHBondContact CG2-O 3.31Å; T98-L186 PolarHBondContact OG1-O 3.07Å; W107-L186 VanDerWaalsContact CE3-C 3.48Å; W107-L186 WeakPolarHBondContact CZ3-O 3.35Å; H184-L186 VanDerWaalsContact C-N 3.32Å; H184-L186 WeakPolarHBondContact ND1-CB 3.24Å; H184-L186 PolarHBondContact ND1-N 3.11Å; H184-L186 VanDerWaalsContact ND1-N 3.15Å; H184-L186 PolarHBondContact O-N 3.23Å; L186-I292 HydrophobicContact CD1-CD1 4.21Å |
| 187 | G | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -166.2 | 162.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | D117 L181 D182 H184 | D117-G187 WeakPolarHBondContact OD2-CA 3.48Å; L181-G187 WeakPolarHBondContact CD1-O 3.48Å; D182-G187 WeakPolarHBondContact CB-O 3.48Å; D182-G187 PolarHBondContact N-O 3.34Å; H184-G187 PolarHBondContact CE1-N 2.9Å; H184-G187 VanDerWaalsContact CE1-N 3.33Å |
| 188 | C | 95.6 | Very high | 93.5 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 148.9 | -175.7 | -66.7 | 0 | 0 | 0 | 0 | 112 | C114 D117 G118 I180 | C114-C188 WeakPolarHBondContact CA-SG 3.18Å; C114-C188 HydrophobicContact CB-CB 4.12Å; C114-C188 WeakPolarHBondContact CB-SG 3.48Å; C114-C188 WeakPolarHBondContact O-CB 3.03Å; C114-C188 WeakPolarHBondContact SG-CB 3.4Å; C114-C188 CovalentContact SG-SG 2.03Å; C114-C188 PolarHBondContact SG-SG 2.92Å; D117-C188 HydrophobicContact CB-CB 4.39Å; D117-C188 PolarHBondContact OD2-N 2.66Å; G118-C188 WeakPolarHBondContact CA-O 3.29Å; I180-C188 CarbonylContact O-C 3.31Å; I180-C188 WeakPolarHBondContact O-CA 3.21Å; I180-C188 WeakPolarHBondContact O-CB 3.45Å |
| 189 | T | 95.1 | Very high | 93.3 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 173.4 | -176.4 | -169.3 | 0 | 0 | 0 | 0 | 109.4 | Y179 I180 D182 W192 Y271 | Y179-T189 CarbonylContact C-O 3.54Å; Y179-T189 WeakPolarHBondContact CA-O 3.32Å; I180-T189 PolarHBondContact N-O 3.49Å; I180-T189 PolarHBondContact O-N 3.35Å; I180-T189 VanDerWaalsContact O-O 3.12Å; D182-T189 HydrophobicContact CB-CG2 3.77Å; T189-W192 PolarHBondContact OG1-NE1 3.31Å; T189-W192 VanDerWaalsContact OG1-NE1 3.14Å; T189-Y271 VanDerWaalsContact CB-OH 3.28Å; T189-Y271 WeakPolarHBondContact CB-OH 3.41Å; T189-Y271 PolarHBondContact OG1-OH 3.39Å |
| 190 | V | 95.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 155.6 | 174.1 | -58.4 | 0 | 0 | 0 | 0 | 110.1 | P172 Y179 W192 F202 L206 | P172-V190 HydrophobicContact CG-CG1 4.15Å; Y179-V190 HydrophobicContact CD1-CG1 3.95Å; Y179-V190 HydrophobicContact CE1-CB 4.49Å; Y179-V190 HydrophobicContact CE1-CG1 3.38Å; V190-W192 HydrophobicContact CG2-CD2 3.63Å; V190-W192 HydrophobicContact CG2-CE3 4.04Å; V190-W192 HydrophobicContact CG2-CG 4.34Å; V190-W192 HydrophobicContact CG2-CH2 3.52Å; V190-W192 HydrophobicContact CG2-CZ2 3.05Å; V190-W192 HydrophobicContact CG2-CZ3 3.97Å; V190-W192 PolarHBondContact O-N 3.46Å; V190-W192 PolarHBondContact O-NE1 2.86Å; V190-W192 VanDerWaalsContact O-NE1 3.14Å; V190-F202 HydrophobicContact CB-CE1 4.38Å; V190-F202 HydrophobicContact CG1-CE1 4.09Å; V190-L206 HydrophobicContact CG2-CD2 4.32Å |
| 191 | D | 94.5 | Very high | 93 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 9% | 0.086 | 21% | 0.212 | C | C | . | . | trans | -77.4 | 97.2 | -179.3 | -167.7 | -12.3 | 0 | 0 | 0 | 111.5 | N177 R178 I180 K193 S194 | N177-D191 PolarHBondContact ND2-O 3.05Å; N177-D191 PolarHBondContact OD1-N 2.97Å; R178-D191 HydrophobicContact CG-CB 3.91Å; R178-D191 PolarHBondContact O-N 3.32Å; I180-D191 HydrophobicContact CD1-CB 3.89Å; I180-D191 WeakPolarHBondContact CD1-OD1 3.45Å; I180-D191 HydrophobicContact CG1-CB 4.04Å; I180-D191 HydrophobicContact CG2-CB 4.27Å; D191-K193 WeakPolarHBondContact OD1-CA 3.46Å; D191-K193 PolarHBondContact OD1-N 3.49Å; D191-S194 PolarHBondContact OD1-N 3.35Å; D191-S194 WeakPolarHBondContact OD2-CB 3.41Å | ||
| 192 | W | 90.1 | Very high | 93.1 | Very high | 48 Ų | 48 | 34.7 Ų | 34.7 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -86.8 | -8.8 | 173.3 | -43 | 95.7 | 0 | 0 | 0 | 113.4 | T189 V190 V203 L206 C275 V278 V279 | T189-W192 PolarHBondContact OG1-NE1 3.31Å; T189-W192 VanDerWaalsContact OG1-NE1 3.14Å; V190-W192 HydrophobicContact CG2-CD2 3.63Å; V190-W192 HydrophobicContact CG2-CE3 4.04Å; V190-W192 HydrophobicContact CG2-CG 4.34Å; V190-W192 HydrophobicContact CG2-CH2 3.52Å; V190-W192 HydrophobicContact CG2-CZ2 3.05Å; V190-W192 HydrophobicContact CG2-CZ3 3.97Å; V190-W192 PolarHBondContact O-N 3.46Å; V190-W192 PolarHBondContact O-NE1 2.86Å; V190-W192 VanDerWaalsContact O-NE1 3.14Å; W192-V203 HydrophobicContact CD2-CG2 4.37Å; W192-V203 HydrophobicContact CE3-CB 4.08Å; W192-V203 HydrophobicContact CE3-CG1 3.5Å; W192-V203 HydrophobicContact CE3-CG2 3.55Å; W192-V203 HydrophobicContact CZ3-CB 4.25Å; W192-V203 HydrophobicContact CZ3-CG1 3.76Å; W192-V203 HydrophobicContact CZ3-CG2 3.99Å; W192-L206 HydrophobicContact CH2-CD2 3.56Å; W192-L206 HydrophobicContact CZ2-CD2 4.44Å; W192-L206 HydrophobicContact CZ3-CD2 4.07Å; W192-C275 HydrophobicContact CD2-CB 3.99Å; W192-C275 HydrophobicContact CE3-CB 4.27Å; W192-C275 HydrophobicContact CG-CB 4.22Å; W192-V278 HydrophobicContact CB-CG1 4.41Å; W192-V278 WeakPolarHBondContact O-CG1 3.1Å; W192-V279 HydrophobicContact CB-CG2 4.21Å |
| 193 | K | 88.6 | Confident | 93 | Very high | 96 Ų | 96 | 34.3 Ų | 34.3 | 42% | 0.417 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -91.8 | -34.7 | -173.2 | -67.4 | 172.3 | -175.7 | 169.2 | 0 | 111.7 | D191 K195 V278 | D191-K193 WeakPolarHBondContact OD1-CA 3.46Å; D191-K193 PolarHBondContact OD1-N 3.49Å; K193-K195 PolarHBondContact O-N 2.92Å; K193-V278 HydrophobicContact CB-CG1 4.26Å; K193-V278 HydrophobicContact CG-CG1 3.57Å |
| 194 | S | 90.2 | Very high | 93.1 | Very high | 20 Ų | 20 | 37.4 Ų | 37.4 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | trans | -55.9 | 133.6 | 178.7 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | D191 D196 D199 S200 | D191-S194 PolarHBondContact OD1-N 3.35Å; D191-S194 WeakPolarHBondContact OD2-CB 3.41Å; S194-D196 WeakPolarHBondContact OG-CB 3.39Å; S194-D196 PolarHBondContact OG-N 3.2Å; S194-D196 PolarHBondContact OG-OD2 3.15Å; S194-D199 VanDerWaalsContact CB-OD2 3.31Å; S194-D199 WeakPolarHBondContact CB-OD2 3.46Å; S194-D199 PolarHBondContact OG-OD2 3.06Å; S194-S200 PolarHBondContact O-OG 2.94Å | ||
| 195 | K | 88 | Confident | 93.2 | Very high | 128 Ų | 128 | 42.3 Ų | 42.3 | 56% | 0.557 | 23% | 0.23 | S | C | * | . | trans | -97 | 4.4 | 174.8 | -62.5 | -60.6 | -178.5 | -172 | 0 | 112.5 | K193 A197 V279 | K193-K195 PolarHBondContact O-N 2.92Å; K195-A197 PolarHBondContact O-N 2.94Å; K195-V279 PolarHBondContact NZ-O 2.78Å | ||
| 196 | D | 92.6 | Very high | 93.3 | Very high | 91 Ų | 91 | 42.7 Ų | 42.7 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | trans | -60.6 | 137.2 | 174.1 | -66 | -25.9 | 0 | 0 | 0 | 109.4 | R178 S194 N198 D199 S200 | R178-D196 IonicContact NH2-OD2 3.69Å; S194-D196 WeakPolarHBondContact OG-CB 3.39Å; S194-D196 PolarHBondContact OG-N 3.2Å; S194-D196 PolarHBondContact OG-OD2 3.15Å; D196-N198 PolarHBondContact O-N 3.3Å; D196-D199 HydrophobicContact CB-CB 4.35Å; D196-D199 PolarHBondContact O-N 3.46Å; D196-D199 VanDerWaalsContact O-N 3.16Å; D196-S200 WeakPolarHBondContact O-CB 3.45Å; D196-S200 PolarHBondContact O-N 3.42Å; D196-S200 PolarHBondContact O-OG 3.46Å | ||
| 197 | A | 92.4 | Very high | 93.2 | Very high | 84 Ų | 84 | 45.5 Ų | 45.5 | 69% | 0.694 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58.8 | -36.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K195 S201 | K195-A197 PolarHBondContact O-N 2.94Å; A197-S201 WeakPolarHBondContact O-CB 3.08Å; A197-S201 PolarHBondContact O-N 2.86Å; A197-S201 PolarHBondContact O-OG 3.41Å; A197-S201 VanDerWaalsContact O-OG 3.08Å |
| 198 | N | 94.2 | Very high | 93.2 | Very high | 76 Ų | 76 | 49 Ų | 49 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60 | -53.8 | 174.8 | -176.7 | 65.2 | 0 | 0 | 0 | 111.6 | G175 W176 D196 S201 F202 | G175-N198 PolarHBondContact O-ND2 2.82Å; W176-N198 VanDerWaalsContact CD1-OD1 3.3Å; W176-N198 PolarHBondContact NE1-O 3.31Å; D196-N198 PolarHBondContact O-N 3.3Å; N198-S201 PolarHBondContact O-N 3.25Å; N198-S201 PolarHBondContact O-OG 2.89Å; N198-F202 PolarHBondContact O-N 2.87Å; N198-F202 VanDerWaalsContact O-N 3.16Å |
| 199 | D | 93.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.5 | -41.7 | -175.8 | -62 | -14.1 | 0 | 0 | 0 | 111.2 | N177 R178 S194 D196 F202 V203 | N177-D199 WeakPolarHBondContact CA-OD1 3.4Å; N177-D199 PolarHBondContact ND2-O 2.82Å; N177-D199 VanDerWaalsContact ND2-O 3.1Å; R178-D199 IonicContact CZ-OD2 3.82Å; R178-D199 IonicContact NE-OD2 3.63Å; R178-D199 IonicContact NH2-OD2 2.63Å; R178-D199 PolarHBondContact NH2-OD2 3.47Å; S194-D199 VanDerWaalsContact CB-OD2 3.31Å; S194-D199 WeakPolarHBondContact CB-OD2 3.46Å; S194-D199 PolarHBondContact OG-OD2 3.06Å; D196-D199 HydrophobicContact CB-CB 4.35Å; D196-D199 PolarHBondContact O-N 3.46Å; D196-D199 VanDerWaalsContact O-N 3.16Å; D199-F202 PolarHBondContact O-N 3.18Å; D199-V203 WeakPolarHBondContact O-CG2 3.47Å; D199-V203 PolarHBondContact O-N 2.97Å |
| 200 | S | 91.6 | Very high | 93.2 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 176.7 | -67.3 | 0 | 0 | 0 | 0 | 112.7 | S194 D196 V203 L204 | S194-S200 PolarHBondContact O-OG 2.94Å; D196-S200 WeakPolarHBondContact O-CB 3.45Å; D196-S200 PolarHBondContact O-N 3.42Å; D196-S200 PolarHBondContact O-OG 3.46Å; S200-V203 PolarHBondContact O-N 2.63Å; S200-L204 PolarHBondContact O-N 3.46Å; S200-L204 VanDerWaalsContact O-N 3.08Å |
| 201 | S | 94.7 | Very high | 93 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 176.1 | 69.7 | 0 | 0 | 0 | 0 | 111.1 | W176 A197 N198 V203 L204 F205 | W176-S201 PolarHBondContact NE1-OG 2.95Å; W176-S201 VanDerWaalsContact NE1-OG 3.1Å; A197-S201 WeakPolarHBondContact O-CB 3.08Å; A197-S201 PolarHBondContact O-N 2.86Å; A197-S201 PolarHBondContact O-OG 3.41Å; A197-S201 VanDerWaalsContact O-OG 3.08Å; N198-S201 PolarHBondContact O-N 3.25Å; N198-S201 PolarHBondContact O-OG 2.89Å; S201-V203 VanDerWaalsContact C-N 3.33Å; S201-V203 PolarHBondContact O-N 2.85Å; S201-L204 WeakPolarHBondContact O-CB 2.96Å; S201-L204 PolarHBondContact O-N 3.47Å; S201-F205 WeakPolarHBondContact O-CD2 3.15Å; S201-F205 PolarHBondContact O-N 2.9Å |
| 202 | F | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.3 | -47.9 | 176.3 | 175.9 | -102.9 | 0 | 0 | 0 | 111.4 | W168 A171 P172 W176 N177 V190 N198 D199 L204 F205 L206 | W168-F202 HydrophobicContact CE3-CE2 4.09Å; W168-F202 HydrophobicContact CZ3-CE2 4.47Å; A171-F202 HydrophobicContact CB-CD2 4.14Å; A171-F202 HydrophobicContact CB-CE2 3.57Å; A171-F202 HydrophobicContact CB-CZ 4.43Å; P172-F202 HydrophobicContact CG-CE1 3.74Å; P172-F202 HydrophobicContact CG-CE2 4.21Å; P172-F202 HydrophobicContact CG-CZ 3.53Å; W176-F202 HydrophobicContact CD2-CB 4.16Å; W176-F202 AromaticContact CD2-CD2 3.74Å; W176-F202 HydrophobicContact CD2-CD2 3.74Å; W176-F202 HydrophobicContact CD2-CG 4.42Å; W176-F202 AromaticContact CE3-CD2 3.93Å; W176-F202 HydrophobicContact CE3-CD2 3.93Å; W176-F202 HydrophobicContact CG-CB 4.04Å; W176-F202 AromaticContact CG-CD2 3.99Å; W176-F202 HydrophobicContact CG-CD2 3.99Å; W176-F202 HydrophobicContact CG-CG 4.39Å; W176-F202 HydrophobicContact CZ3-CD2 4.46Å; N177-F202 HydrophobicContact CB-CB 3.82Å; N177-F202 HydrophobicContact CB-CD1 3.28Å; N177-F202 HydrophobicContact CB-CE1 3.95Å; N177-F202 HydrophobicContact CB-CG 3.63Å; V190-F202 HydrophobicContact CB-CE1 4.38Å; V190-F202 HydrophobicContact CG1-CE1 4.09Å; N198-F202 PolarHBondContact O-N 2.87Å; N198-F202 VanDerWaalsContact O-N 3.16Å; D199-F202 PolarHBondContact O-N 3.18Å; F202-L204 VanDerWaalsContact C-N 3.31Å; F202-L204 PolarHBondContact O-N 3.32Å; F202-F205 PolarHBondContact O-N 3.41Å; F202-L206 HydrophobicContact CE1-CB 4.35Å; F202-L206 HydrophobicContact CE1-CD2 3.83Å; F202-L206 HydrophobicContact CZ-CB 4.42Å; F202-L206 HydrophobicContact CZ-CD1 4.19Å; F202-L206 HydrophobicContact CZ-CD2 4.18Å; F202-L206 WeakPolarHBondContact O-CB 3.16Å; F202-L206 PolarHBondContact O-N 3.38Å |
| 203 | V | 93.4 | Very high | 93.3 | Very high | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57 | -44 | 178.3 | 163 | 0 | 0 | 0 | 0 | 111.9 | W192 D199 S200 S201 F207 V279 | W192-V203 HydrophobicContact CD2-CG2 4.37Å; W192-V203 HydrophobicContact CE3-CB 4.08Å; W192-V203 HydrophobicContact CE3-CG1 3.5Å; W192-V203 HydrophobicContact CE3-CG2 3.55Å; W192-V203 HydrophobicContact CZ3-CB 4.25Å; W192-V203 HydrophobicContact CZ3-CG1 3.76Å; W192-V203 HydrophobicContact CZ3-CG2 3.99Å; D199-V203 WeakPolarHBondContact O-CG2 3.47Å; D199-V203 PolarHBondContact O-N 2.97Å; S200-V203 PolarHBondContact O-N 2.63Å; S201-V203 VanDerWaalsContact C-N 3.33Å; S201-V203 PolarHBondContact O-N 2.85Å; V203-F207 WeakPolarHBondContact O-CB 2.94Å; V203-F207 PolarHBondContact O-N 3.39Å; V203-V279 HydrophobicContact CG1-CG1 4.43Å; V203-V279 HydrophobicContact CG1-CG2 3.62Å |
| 204 | L | 92.9 | Very high | 93.7 | Very high | 96 Ų | 96 | 49.8 Ų | 49.8 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 175.8 | 176.2 | 64.2 | 0 | 0 | 0 | 111.6 | S200 S201 F202 L206 F207 L208 | S200-L204 PolarHBondContact O-N 3.46Å; S200-L204 VanDerWaalsContact O-N 3.08Å; S201-L204 WeakPolarHBondContact O-CB 2.96Å; S201-L204 PolarHBondContact O-N 3.47Å; F202-L204 VanDerWaalsContact C-N 3.31Å; F202-L204 PolarHBondContact O-N 3.32Å; L204-L206 VanDerWaalsContact C-N 3.34Å; L204-L206 PolarHBondContact O-N 3.06Å; L204-F207 PolarHBondContact O-N 2.98Å; L204-L208 HydrophobicContact CD1-CD1 4.16Å; L204-L208 HydrophobicContact CD1-CG 4.36Å; L204-L208 HydrophobicContact CG-CD1 4.13Å; L204-L208 WeakPolarHBondContact O-CG 3.24Å; L204-L208 PolarHBondContact O-N 3.3Å |
| 205 | F | 95.6 | Very high | 93.9 | Very high | 102 Ų | 102 | 51 Ų | 51 | 45% | 0.447 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.5 | -37.3 | -179.9 | -81.3 | -68.2 | 0 | 0 | 0 | 112.4 | W168 W176 S201 F202 L208 G209 | W168-F205 HydrophobicContact CH2-CB 3.88Å; W168-F205 VanDerWaalsContact CH2-O 3.27Å; W168-F205 WeakPolarHBondContact CH2-O 3.37Å; W168-F205 HydrophobicContact CZ3-CB 3.95Å; W176-F205 HydrophobicContact CH2-CB 4.18Å; W176-F205 HydrophobicContact CH2-CD2 4.02Å; W176-F205 HydrophobicContact CH2-CG 4.2Å; W176-F205 HydrophobicContact CZ2-CB 4.33Å; W176-F205 AromaticContact CZ2-CD2 3.65Å; W176-F205 HydrophobicContact CZ2-CD2 3.65Å; W176-F205 HydrophobicContact CZ2-CE2 4.34Å; W176-F205 HydrophobicContact CZ2-CG 4.25Å; S201-F205 WeakPolarHBondContact O-CD2 3.15Å; S201-F205 PolarHBondContact O-N 2.9Å; F202-F205 PolarHBondContact O-N 3.41Å; F205-L208 PolarHBondContact O-N 2.89Å; F205-G209 PolarHBondContact O-N 3.1Å |
| 206 | L | 95.2 | Very high | 94.3 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 173.9 | -175.8 | 71 | 0 | 0 | 0 | 110.7 | I126 W168 V190 W192 F202 L204 C210 | I126-L206 HydrophobicContact CD1-CD1 4.2Å; W168-L206 HydrophobicContact CB-CD1 4.21Å; W168-L206 HydrophobicContact CD2-CD1 4.21Å; W168-L206 HydrophobicContact CE3-CB 4.43Å; W168-L206 HydrophobicContact CE3-CD1 3.85Å; W168-L206 HydrophobicContact CG-CD1 4.39Å; W168-L206 HydrophobicContact CZ3-CB 4.42Å; V190-L206 HydrophobicContact CG2-CD2 4.32Å; W192-L206 HydrophobicContact CH2-CD2 3.56Å; W192-L206 HydrophobicContact CZ2-CD2 4.44Å; W192-L206 HydrophobicContact CZ3-CD2 4.07Å; F202-L206 HydrophobicContact CE1-CB 4.35Å; F202-L206 HydrophobicContact CE1-CD2 3.83Å; F202-L206 HydrophobicContact CZ-CB 4.42Å; F202-L206 HydrophobicContact CZ-CD1 4.19Å; F202-L206 HydrophobicContact CZ-CD2 4.18Å; F202-L206 WeakPolarHBondContact O-CB 3.16Å; F202-L206 PolarHBondContact O-N 3.38Å; L204-L206 VanDerWaalsContact C-N 3.34Å; L204-L206 PolarHBondContact O-N 3.06Å; L206-C210 HydrophobicContact CD1-CB 4.13Å; L206-C210 WeakPolarHBondContact O-CA 3.31Å; L206-C210 WeakPolarHBondContact O-CB 3.44Å; L206-C210 PolarHBondContact O-N 3.31Å |
| 207 | F | 92.5 | Very high | 94.6 | Very high | 60 Ų | 60 | 45.1 Ų | 45.1 | 26% | 0.263 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 174.9 | 178.7 | -98.3 | 0 | 0 | 0 | 112 | V203 L204 L211 V212 I272 F276 | V203-F207 WeakPolarHBondContact O-CB 2.94Å; V203-F207 PolarHBondContact O-N 3.39Å; L204-F207 PolarHBondContact O-N 2.98Å; F207-L211 HydrophobicContact CD2-CB 4.48Å; F207-L211 HydrophobicContact CD2-CD2 3.82Å; F207-L211 HydrophobicContact CE2-CD2 3.37Å; F207-L211 HydrophobicContact CZ-CD2 4.08Å; F207-L211 WeakPolarHBondContact O-CA 3.43Å; F207-L211 VanDerWaalsContact O-CB 3.28Å; F207-L211 WeakPolarHBondContact O-CB 3.45Å; F207-L211 PolarHBondContact O-N 2.91Å; F207-L211 VanDerWaalsContact O-N 3.09Å; F207-V212 HydrophobicContact CD1-CG2 3.86Å; F207-V212 HydrophobicContact CE1-CG2 3.47Å; F207-V212 VanDerWaalsContact CE1-CG2 3.47Å; F207-V212 HydrophobicContact CZ-CG2 4.07Å; F207-V212 PolarHBondContact O-N 3.15Å; F207-I272 HydrophobicContact CE2-CG2 4.19Å; F207-F276 HydrophobicContact CD1-CE2 4.09Å; F207-F276 HydrophobicContact CD2-CD2 4.1Å; F207-F276 AromaticContact CD2-CE2 3.83Å; F207-F276 HydrophobicContact CD2-CE2 3.83Å; F207-F276 AromaticContact CE1-CE2 3.97Å; F207-F276 HydrophobicContact CE1-CE2 3.97Å; F207-F276 HydrophobicContact CE1-CZ 4.41Å; F207-F276 AromaticContact CE2-CD2 3.92Å; F207-F276 HydrophobicContact CE2-CD2 3.92Å; F207-F276 AromaticContact CE2-CE2 3.68Å; F207-F276 HydrophobicContact CE2-CE2 3.68Å; F207-F276 HydrophobicContact CG-CE2 4.02Å; F207-F276 HydrophobicContact CZ-CD2 4.39Å; F207-F276 AromaticContact CZ-CE2 3.76Å; F207-F276 HydrophobicContact CZ-CE2 3.76Å; F207-F276 HydrophobicContact CZ-CZ 4.36Å |
| 208 | L | 95.1 | Very high | 94.7 | Very high | 72 Ų | 72 | 41.7 Ų | 41.7 | 38% | 0.377 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -65.3 | -49.2 | 179 | -68.4 | 173.4 | 0 | 0 | 0 | 111.7 | L204 F205 V212 V213 | L204-L208 HydrophobicContact CD1-CD1 4.16Å; L204-L208 HydrophobicContact CD1-CG 4.36Å; L204-L208 HydrophobicContact CG-CD1 4.13Å; L204-L208 WeakPolarHBondContact O-CG 3.24Å; L204-L208 PolarHBondContact O-N 3.3Å; F205-L208 PolarHBondContact O-N 2.89Å; L208-V212 HydrophobicContact CD2-CB 4.46Å; L208-V212 HydrophobicContact CD2-CG2 4.25Å; L208-V212 PolarHBondContact O-N 2.98Å; L208-V213 WeakPolarHBondContact O-CG2 3.22Å; L208-V213 PolarHBondContact O-N 2.83Å |
| 209 | G | 95.6 | Very high | 94.8 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -75.4 | -41.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y164 F205 P214 | Y164-G209 PolarHBondContact OH-O 2.82Å; F205-G209 PolarHBondContact O-N 3.1Å; G209-P214 WeakPolarHBondContact O-CD 3.49Å; G209-P214 WeakPolarHBondContact O-CG 3.46Å |
| 210 | C | 95.3 | Very high | 94.9 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 10% | 0.101 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -100.1 | -5 | -173.5 | -62.4 | 0 | 0 | 0 | 0 | 114.4 | I126 I129 W168 L206 | I126-C210 HydrophobicContact CG1-CB 4.44Å; I129-C210 WeakPolarHBondContact CD1-O 3.3Å; W168-C210 VanDerWaalsContact CG-SG 3.52Å; L206-C210 HydrophobicContact CD1-CB 4.13Å; L206-C210 WeakPolarHBondContact O-CA 3.31Å; L206-C210 WeakPolarHBondContact O-CB 3.44Å; L206-C210 PolarHBondContact O-N 3.31Å |
| 211 | L | 91.8 | Very high | 95.1 | Very high | 16 Ų | 16 | 43.6 Ų | 43.6 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -125.7 | -61.1 | 172.4 | -172.2 | 69.4 | 0 | 0 | 0 | 112.5 | I129 F207 P214 L215 M269 I272 | I129-L211 HydrophobicContact CD1-CD1 4.3Å; F207-L211 HydrophobicContact CD2-CB 4.48Å; F207-L211 HydrophobicContact CD2-CD2 3.82Å; F207-L211 HydrophobicContact CE2-CD2 3.37Å; F207-L211 HydrophobicContact CZ-CD2 4.08Å; F207-L211 WeakPolarHBondContact O-CA 3.43Å; F207-L211 VanDerWaalsContact O-CB 3.28Å; F207-L211 WeakPolarHBondContact O-CB 3.45Å; F207-L211 PolarHBondContact O-N 2.91Å; F207-L211 VanDerWaalsContact O-N 3.09Å; L211-P214 WeakPolarHBondContact O-CD 3.41Å; L211-L215 HydrophobicContact CD1-CD1 3.75Å; L211-L215 HydrophobicContact CD1-CG 4.29Å; L211-L215 HydrophobicContact CG-CD1 3.89Å; L211-L215 WeakPolarHBondContact O-CB 3.41Å; L211-L215 WeakPolarHBondContact O-CG 3.21Å; L211-L215 PolarHBondContact O-N 3.41Å; L211-M269 HydrophobicContact CD1-CE 4.2Å; L211-M269 HydrophobicContact CD2-CE 4.47Å; L211-I272 HydrophobicContact CD1-CD1 3.81Å; L211-I272 HydrophobicContact CD2-CD1 3.97Å; L211-I272 HydrophobicContact CD2-CG2 3.89Å |
| 212 | V | 94.8 | Very high | 94.9 | Very high | 66 Ų | 66 | 42.6 Ų | 42.6 | 40% | 0.4 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -64 | -49.4 | -170.8 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | F207 L208 L215 G216 | F207-V212 HydrophobicContact CD1-CG2 3.86Å; F207-V212 HydrophobicContact CE1-CG2 3.47Å; F207-V212 VanDerWaalsContact CE1-CG2 3.47Å; F207-V212 HydrophobicContact CZ-CG2 4.07Å; F207-V212 PolarHBondContact O-N 3.15Å; L208-V212 HydrophobicContact CD2-CB 4.46Å; L208-V212 HydrophobicContact CD2-CG2 4.25Å; L208-V212 PolarHBondContact O-N 2.98Å; V212-L215 PolarHBondContact O-N 3.16Å; V212-G216 PolarHBondContact O-N 3.31Å |
| 213 | V | 96.6 | Very high | 94.7 | Very high | 88 Ų | 88 | 44.5 Ų | 44.5 | 53% | 0.533 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.9 | -51.6 | 178.7 | 167.6 | 0 | 0 | 0 | 0 | 111.7 | L208 L215 G216 V217 | L208-V213 WeakPolarHBondContact O-CG2 3.22Å; L208-V213 PolarHBondContact O-N 2.83Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.03Å; V213-G216 PolarHBondContact O-N 2.92Å; V213-V217 WeakPolarHBondContact O-CG2 3.34Å; V213-V217 PolarHBondContact O-N 3.27Å |
| 214 | P | 96.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 5% | 0.045 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -51.4 | -45.8 | 173.7 | -34.7 | 38.4 | 0 | 0 | 0 | 113.6 | I129 T133 G209 L211 V217 I218 | I129-P214 HydrophobicContact CD1-CB 3.8Å; I129-P214 HydrophobicContact CD1-CG 4.37Å; I129-P214 HydrophobicContact CG1-CB 4.01Å; T133-P214 WeakPolarHBondContact OG1-CB 3.45Å; G209-P214 WeakPolarHBondContact O-CD 3.49Å; G209-P214 WeakPolarHBondContact O-CG 3.46Å; L211-P214 WeakPolarHBondContact O-CD 3.41Å; P214-V217 PolarHBondContact O-N 2.91Å; P214-I218 WeakPolarHBondContact O-CB 3.28Å; P214-I218 WeakPolarHBondContact O-CD1 3.39Å; P214-I218 WeakPolarHBondContact O-CG1 3.37Å; P214-I218 PolarHBondContact O-N 2.92Å |
| 215 | L | 95.1 | Very high | 94.6 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 24% | 0.236 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69 | -38.7 | 178.9 | -69 | -179.6 | 0 | 0 | 0 | 112.9 | L211 V212 V213 I218 A219 L265 M269 | L211-L215 HydrophobicContact CD1-CD1 3.75Å; L211-L215 HydrophobicContact CD1-CG 4.29Å; L211-L215 HydrophobicContact CG-CD1 3.89Å; L211-L215 WeakPolarHBondContact O-CB 3.41Å; L211-L215 WeakPolarHBondContact O-CG 3.21Å; L211-L215 PolarHBondContact O-N 3.41Å; V212-L215 PolarHBondContact O-N 3.16Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.03Å; L215-I218 PolarHBondContact O-N 3.3Å; L215-A219 VanDerWaalsContact O-CB 3.29Å; L215-A219 WeakPolarHBondContact O-CB 3.39Å; L215-A219 PolarHBondContact O-N 3.48Å; L215-L265 HydrophobicContact CD1-CD2 4.01Å; L215-L265 HydrophobicContact CD2-CD1 3.85Å; L215-L265 HydrophobicContact CD2-CD2 3.55Å; L215-L265 HydrophobicContact CD2-CG 4.17Å; L215-L265 HydrophobicContact CG-CD2 4.34Å; L215-M269 HydrophobicContact CD1-CE 4.19Å |
| 216 | G | 97 | Very high | 94.3 | Very high | 42 Ų | 42 | 43.1 Ų | 43.1 | 43% | 0.433 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | V212 V213 I218 A219 H220 | V212-G216 PolarHBondContact O-N 3.31Å; V213-G216 PolarHBondContact O-N 2.92Å; G216-I218 PolarHBondContact O-N 3.47Å; G216-A219 PolarHBondContact O-N 2.81Å; G216-H220 WeakPolarHBondContact O-CB 3.48Å; G216-H220 PolarHBondContact O-N 3.35Å |
| 217 | V | 97.3 | Very high | 94 | Very high | 53 Ų | 53 | 49 Ų | 49 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 176.3 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | T133 V213 P214 H220 C221 | T133-V217 HydrophobicContact CG2-CB 3.76Å; T133-V217 HydrophobicContact CG2-CG1 3.55Å; T133-V217 HydrophobicContact CG2-CG2 4.5Å; V213-V217 WeakPolarHBondContact O-CG2 3.34Å; V213-V217 PolarHBondContact O-N 3.27Å; P214-V217 PolarHBondContact O-N 2.91Å; V217-H220 PolarHBondContact O-N 2.91Å; V217-C221 WeakPolarHBondContact O-CB 3.5Å; V217-C221 PolarHBondContact O-N 3Å; V217-C221 PolarHBondContact O-SG 3.28Å |
| 218 | I | 95.6 | Very high | 93.7 | Very high | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.067 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -50.6 | 176.4 | -75.6 | 166.5 | 0 | 0 | 0 | 110.7 | A136 P214 L215 G216 H220 C221 Y222 I261 | A136-I218 HydrophobicContact CB-CB 4.5Å; A136-I218 HydrophobicContact CB-CG1 3.92Å; P214-I218 WeakPolarHBondContact O-CB 3.28Å; P214-I218 WeakPolarHBondContact O-CD1 3.39Å; P214-I218 WeakPolarHBondContact O-CG1 3.37Å; P214-I218 PolarHBondContact O-N 2.92Å; L215-I218 PolarHBondContact O-N 3.3Å; G216-I218 PolarHBondContact O-N 3.47Å; I218-H220 VanDerWaalsContact C-N 3.34Å; I218-H220 PolarHBondContact O-N 3.37Å; I218-C221 PolarHBondContact O-N 3.5Å; I218-Y222 HydrophobicContact CG2-CD2 3.87Å; I218-Y222 HydrophobicContact CG2-CE2 4.21Å; I218-Y222 WeakPolarHBondContact O-CD2 3.04Å; I218-Y222 PolarHBondContact O-N 2.92Å; I218-I261 HydrophobicContact CD1-CD1 4.08Å; I218-I261 HydrophobicContact CD1-CG1 4.18Å; I218-I261 HydrophobicContact CD1-CG2 4.15Å; I218-I261 HydrophobicContact CG1-CD1 4.16Å; I218-I261 HydrophobicContact CG2-CD1 3.83Å; I218-I261 HydrophobicContact CG2-CG2 4.01Å |
| 219 | A | 95.3 | Very high | 93.1 | Very high | 66 Ų | 66 | 44.8 Ų | 44.8 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L215 G216 G223 | L215-A219 VanDerWaalsContact O-CB 3.29Å; L215-A219 WeakPolarHBondContact O-CB 3.39Å; L215-A219 PolarHBondContact O-N 3.48Å; G216-A219 PolarHBondContact O-N 2.81Å; A219-G223 PolarHBondContact O-N 2.9Å |
| 220 | H | 95.9 | Very high | 92.6 | Very high | 96 Ų | 96 | 52.9 Ų | 52.9 | 44% | 0.444 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.5 | -51.4 | 174.8 | 177.8 | 77.6 | 0 | 0 | 0 | 111.8 | G216 V217 I218 Y222 G223 H224 | G216-H220 WeakPolarHBondContact O-CB 3.48Å; G216-H220 PolarHBondContact O-N 3.35Å; V217-H220 PolarHBondContact O-N 2.91Å; I218-H220 VanDerWaalsContact C-N 3.34Å; I218-H220 PolarHBondContact O-N 3.37Å; H220-Y222 PolarHBondContact O-N 3.23Å; H220-G223 PolarHBondContact O-N 2.97Å; H220-H224 AromaticContact CE1-CD2 3.35Å; H220-H224 PolarHBondContact CE1-CD2 3.28Å; H220-H224 AromaticContact CE1-NE2 3.27Å; H220-H224 PolarHBondContact CE1-NE2 3.35Å; H220-H224 VanDerWaalsContact CE1-NE2 3.27Å; H220-H224 AromaticContact ND1-CD2 3.71Å; H220-H224 AromaticContact ND1-NE2 3.84Å; H220-H224 AromaticContact NE2-CD2 3.7Å; H220-H224 AromaticContact NE2-NE2 3.95Å; H220-H224 PolarHBondContact O-CD2 2.77Å; H220-H224 PolarHBondContact O-N 2.93Å; H220-H224 VanDerWaalsContact O-N 3.12Å |
| 221 | C | 95.5 | Very high | 92 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.2 | -49.6 | -179.9 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | A136 Y140 V217 I218 H224 I225 | A136-C221 HydrophobicContact CB-CB 4.25Å; Y140-C221 HydrophobicContact CG-CB 4.36Å; V217-C221 WeakPolarHBondContact O-CB 3.5Å; V217-C221 PolarHBondContact O-N 3Å; V217-C221 PolarHBondContact O-SG 3.28Å; I218-C221 PolarHBondContact O-N 3.5Å; C221-H224 PolarHBondContact O-N 3.33Å; C221-I225 WeakPolarHBondContact O-CD1 3.19Å; C221-I225 WeakPolarHBondContact O-CG1 3.42Å; C221-I225 PolarHBondContact O-N 3.13Å |
| 222 | Y | 91.5 | Very high | 91.4 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.2 | -34.5 | -178.7 | -83.4 | -75.2 | 0 | 0 | 0 | 113.7 | A136 I218 H220 I225 L226 A254 C257 F258 I261 | A136-Y222 HydrophobicContact CB-CD2 4.27Å; A136-Y222 HydrophobicContact CB-CE2 3.72Å; I218-Y222 HydrophobicContact CG2-CD2 3.87Å; I218-Y222 HydrophobicContact CG2-CE2 4.21Å; I218-Y222 WeakPolarHBondContact O-CD2 3.04Å; I218-Y222 PolarHBondContact O-N 2.92Å; H220-Y222 PolarHBondContact O-N 3.23Å; Y222-I225 HydrophobicContact CD1-CD1 4.25Å; Y222-I225 HydrophobicContact CE1-CD1 4.43Å; Y222-I225 PolarHBondContact O-N 3.46Å; Y222-L226 WeakPolarHBondContact O-CB 3.29Å; Y222-L226 VanDerWaalsContact O-CG 3.26Å; Y222-L226 WeakPolarHBondContact O-CG 3.42Å; Y222-L226 PolarHBondContact O-N 2.95Å; Y222-A254 HydrophobicContact CE1-CB 4.28Å; Y222-A254 WeakPolarHBondContact CE1-O 3.21Å; Y222-A254 PolarHBondContact OH-O 3.46Å; Y222-C257 WeakPolarHBondContact OH-CB 3.18Å; Y222-F258 HydrophobicContact CD1-CD2 4.4Å; Y222-F258 HydrophobicContact CE1-CB 3.87Å; Y222-F258 HydrophobicContact CE1-CD2 4.49Å; Y222-F258 HydrophobicContact CG-CD2 4.48Å; Y222-F258 PolarHBondContact OH-N 3.4Å; Y222-I261 HydrophobicContact CD2-CD1 4.47Å; Y222-I261 HydrophobicContact CE2-CD1 3.54Å |
| 223 | G | 91.8 | Very high | 90.5 | Very high | 41 Ų | 41 | 61.6 Ų | 61.6 | 42% | 0.423 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.3 | -50.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A219 H220 L226 Y227 | A219-G223 PolarHBondContact O-N 2.9Å; H220-G223 PolarHBondContact O-N 2.97Å; G223-L226 PolarHBondContact O-N 3.26Å; G223-Y227 WeakPolarHBondContact O-CB 3.46Å; G223-Y227 PolarHBondContact O-N 2.93Å |
| 224 | H | 92.6 | Very high | 89.3 | Confident | 75 Ų | 75 | 62.7 Ų | 62.7 | 35% | 0.347 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.9 | -39.2 | 177 | -82.3 | -84.2 | 0 | 0 | 0 | 113.4 | Y140 V144 H220 C221 L226 Y227 S228 | Y140-H224 HydrophobicContact CD2-CB 3.87Å; Y140-H224 HydrophobicContact CE2-CB 3.5Å; Y140-H224 AromaticContact CE2-CG 3.95Å; V144-H224 HydrophobicContact CG2-CB 4.39Å; H220-H224 AromaticContact CE1-CD2 3.35Å; H220-H224 PolarHBondContact CE1-CD2 3.28Å; H220-H224 AromaticContact CE1-NE2 3.27Å; H220-H224 PolarHBondContact CE1-NE2 3.35Å; H220-H224 VanDerWaalsContact CE1-NE2 3.27Å; H220-H224 AromaticContact ND1-CD2 3.71Å; H220-H224 AromaticContact ND1-NE2 3.84Å; H220-H224 AromaticContact NE2-CD2 3.7Å; H220-H224 AromaticContact NE2-NE2 3.95Å; H220-H224 PolarHBondContact O-CD2 2.77Å; H220-H224 PolarHBondContact O-N 2.93Å; H220-H224 VanDerWaalsContact O-N 3.12Å; C221-H224 PolarHBondContact O-N 3.33Å; H224-L226 VanDerWaalsContact C-N 3.31Å; H224-L226 PolarHBondContact O-N 3.08Å; H224-Y227 PolarHBondContact O-N 3.23Å; H224-S228 PolarHBondContact O-N 2.71Å; H224-S228 PolarHBondContact O-OG 3.35Å |
| 225 | I | 90.8 | Very high | 88.2 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.015 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58 | -46.2 | 174.4 | -71.7 | 163.5 | 0 | 0 | 0 | 110.5 | R139 V143 V144 C221 Y222 S228 I229 A254 | R139-I225 HydrophobicContact CB-CD1 3.88Å; V143-I225 HydrophobicContact CB-CG1 4.49Å; V143-I225 HydrophobicContact CG1-CG2 4.34Å; V144-I225 HydrophobicContact CG2-CG1 4.28Å; C221-I225 WeakPolarHBondContact O-CD1 3.19Å; C221-I225 WeakPolarHBondContact O-CG1 3.42Å; C221-I225 PolarHBondContact O-N 3.13Å; Y222-I225 HydrophobicContact CD1-CD1 4.25Å; Y222-I225 HydrophobicContact CE1-CD1 4.43Å; Y222-I225 PolarHBondContact O-N 3.46Å; I225-S228 PolarHBondContact O-N 2.93Å; I225-I229 HydrophobicContact CG2-CD1 3.69Å; I225-I229 HydrophobicContact CG2-CG1 4.47Å; I225-I229 WeakPolarHBondContact O-CB 3.35Å; I225-I229 WeakPolarHBondContact O-CG1 3.36Å; I225-I229 PolarHBondContact O-N 3.38Å; I225-A254 HydrophobicContact CG2-CB 4.41Å |
| 226 | L | 88.8 | Confident | 86.7 | Confident | 101 Ų | 101 | 68.2 Ų | 68.2 | 53% | 0.529 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 179 | -71.3 | 174.6 | 0 | 0 | 0 | 111.7 | Y222 G223 H224 I229 R230 | Y222-L226 WeakPolarHBondContact O-CB 3.29Å; Y222-L226 VanDerWaalsContact O-CG 3.26Å; Y222-L226 WeakPolarHBondContact O-CG 3.42Å; Y222-L226 PolarHBondContact O-N 2.95Å; G223-L226 PolarHBondContact O-N 3.26Å; H224-L226 VanDerWaalsContact C-N 3.31Å; H224-L226 PolarHBondContact O-N 3.08Å; L226-I229 PolarHBondContact O-N 3.42Å; L226-R230 WeakPolarHBondContact O-CG 3.35Å; L226-R230 PolarHBondContact O-N 3.44Å |
| 227 | Y | 89 | Confident | 84.9 | Confident | 141 Ų | 141 | 74.3 Ų | 74.3 | 55% | 0.553 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.2 | -52.5 | 174.6 | 178 | -98.3 | 0 | 0 | 0 | 111.7 | G223 H224 I229 R230 M231 | G223-Y227 WeakPolarHBondContact O-CB 3.46Å; G223-Y227 PolarHBondContact O-N 2.93Å; H224-Y227 PolarHBondContact O-N 3.23Å; Y227-I229 VanDerWaalsContact C-N 3.3Å; Y227-I229 PolarHBondContact O-N 3Å; Y227-R230 WeakPolarHBondContact O-CB 3.37Å; Y227-R230 PolarHBondContact O-N 2.91Å; Y227-M231 HydrophobicContact CD1-CG 4.25Å; Y227-M231 HydrophobicContact CE1-CG 3.8Å; Y227-M231 HydrophobicContact CE2-CG 4.21Å; Y227-M231 HydrophobicContact CE2-SD 4.34Å; Y227-M231 WeakPolarHBondContact O-CG 3.28Å; Y227-M231 PolarHBondContact O-N 3.26Å |
| 228 | S | 86.4 | Confident | 83.3 | Confident | 22 Ų | 22 | 79.2 Ų | 79.2 | 15% | 0.154 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.6 | -39.4 | 178.5 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | H224 I225 R230 M231 L232 | H224-S228 PolarHBondContact O-N 2.71Å; H224-S228 PolarHBondContact O-OG 3.35Å; I225-S228 PolarHBondContact O-N 2.93Å; S228-R230 VanDerWaalsContact C-N 3.33Å; S228-R230 PolarHBondContact O-N 3.44Å; S228-M231 PolarHBondContact O-N 3.36Å; S228-L232 WeakPolarHBondContact O-CB 3.47Å; S228-L232 VanDerWaalsContact O-CG 3.26Å; S228-L232 WeakPolarHBondContact O-CG 3.46Å; S228-L232 PolarHBondContact O-N 2.89Å |
| 229 | I | 83.1 | Confident | 82.1 | Confident | 21 Ų | 21 | 81.2 Ų | 81.2 | 11% | 0.108 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.8 | -33.1 | 176.3 | -70.4 | 170.3 | 0 | 0 | 0 | 112.1 | I225 L226 Y227 R233 K251 | I225-I229 HydrophobicContact CG2-CD1 3.69Å; I225-I229 HydrophobicContact CG2-CG1 4.47Å; I225-I229 WeakPolarHBondContact O-CB 3.35Å; I225-I229 WeakPolarHBondContact O-CG1 3.36Å; I225-I229 PolarHBondContact O-N 3.38Å; L226-I229 PolarHBondContact O-N 3.42Å; Y227-I229 VanDerWaalsContact C-N 3.3Å; Y227-I229 PolarHBondContact O-N 3Å; I229-R233 WeakPolarHBondContact O-CG 3.49Å; I229-R233 PolarHBondContact O-N 2.89Å; I229-K251 HydrophobicContact CD1-CB 4.4Å; I229-K251 HydrophobicContact CD1-CD 4.41Å; I229-K251 HydrophobicContact CD1-CG 4.09Å; I229-K251 HydrophobicContact CG2-CD 4.39Å |
| 230 | R | 84.4 | Confident | 81.2 | Confident | 179 Ų | 179 | 82.4 Ų | 82.4 | 68% | 0.675 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69.1 | -46.7 | 174.4 | -75.3 | 177 | -179.3 | 177.3 | 0.7 | 110.4 | L226 Y227 S228 L232 R233 C234 | L226-R230 WeakPolarHBondContact O-CG 3.35Å; L226-R230 PolarHBondContact O-N 3.44Å; Y227-R230 WeakPolarHBondContact O-CB 3.37Å; Y227-R230 PolarHBondContact O-N 2.91Å; S228-R230 VanDerWaalsContact C-N 3.33Å; S228-R230 PolarHBondContact O-N 3.44Å; R230-L232 PolarHBondContact O-N 3.37Å; R230-R233 PolarHBondContact O-N 2.89Å; R230-C234 PolarHBondContact O-N 3.44Å |
| 231 | M | 82.9 | Confident | 80.3 | Confident | 92 Ų | 92 | 83.8 Ų | 83.8 | 45% | 0.453 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 177.6 | -68.1 | -56.7 | -65.1 | 0 | 0 | 112.3 | Y227 S228 R233 C234 | Y227-M231 HydrophobicContact CD1-CG 4.25Å; Y227-M231 HydrophobicContact CE1-CG 3.8Å; Y227-M231 HydrophobicContact CE2-CG 4.21Å; Y227-M231 HydrophobicContact CE2-SD 4.34Å; Y227-M231 WeakPolarHBondContact O-CG 3.28Å; Y227-M231 PolarHBondContact O-N 3.26Å; S228-M231 PolarHBondContact O-N 3.36Å; M231-R233 VanDerWaalsContact C-N 3.28Å; M231-R233 PolarHBondContact O-N 2.85Å; M231-C234 WeakPolarHBondContact O-CB 3.08Å; M231-C234 PolarHBondContact O-N 2.76Å; M231-C234 VanDerWaalsContact O-N 3.11Å |
| 232 | L | 78.3 | Confident | 79.5 | Confident | 54 Ų | 54 | 91 Ų | 91 | 28% | 0.283 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.4 | -29.2 | 178.8 | -72.5 | 170.1 | 0 | 0 | 0 | 113.7 | S228 R230 C234 V235 E236 L247 | S228-L232 WeakPolarHBondContact O-CB 3.47Å; S228-L232 VanDerWaalsContact O-CG 3.26Å; S228-L232 WeakPolarHBondContact O-CG 3.46Å; S228-L232 PolarHBondContact O-N 2.89Å; R230-L232 PolarHBondContact O-N 3.37Å; L232-C234 VanDerWaalsContact C-N 3.32Å; L232-V235 PolarHBondContact O-N 3.12Å; L232-E236 PolarHBondContact O-N 2.8Å; L232-L247 HydrophobicContact CD1-CD1 4.14Å; L232-L247 HydrophobicContact CD1-CD2 3.94Å |
| 233 | R | 76 | Confident | 78.9 | Confident | 134 Ų | 134 | 92.8 Ų | 92.8 | 51% | 0.506 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.8 | -28.6 | 174.3 | -74.7 | -173.9 | -130.1 | 174.6 | 5.5 | 112.8 | I229 R230 M231 V235 E236 | I229-R233 WeakPolarHBondContact O-CG 3.49Å; I229-R233 PolarHBondContact O-N 2.89Å; R230-R233 PolarHBondContact O-N 2.89Å; M231-R233 VanDerWaalsContact C-N 3.28Å; M231-R233 PolarHBondContact O-N 2.85Å; R233-V235 PolarHBondContact O-N 2.98Å; R233-E236 WeakPolarHBondContact O-CB 3.41Å |
| 234 | C | 72.9 | Confident | 78.2 | Confident | 111 Ų | 111 | 92.7 Ų | 92.7 | 75% | 0.75 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -72.3 | -16.5 | 175.3 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | R230 M231 L232 | R230-C234 PolarHBondContact O-N 3.44Å; M231-C234 WeakPolarHBondContact O-CB 3.08Å; M231-C234 PolarHBondContact O-N 2.76Å; M231-C234 VanDerWaalsContact O-N 3.11Å; L232-C234 VanDerWaalsContact C-N 3.32Å |
| 235 | V | 72.1 | Confident | 77.7 | Confident | 80 Ų | 80 | 96 Ų | 96 | 49% | 0.485 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 12.4 | -177.5 | -166.4 | 0 | 0 | 0 | 0 | 111 | L232 R233 D237 L238 | L232-V235 PolarHBondContact O-N 3.12Å; R233-V235 PolarHBondContact O-N 2.98Å; V235-D237 PolarHBondContact O-N 3.43Å; V235-D237 VanDerWaalsContact O-N 3.09Å; V235-L238 PolarHBondContact O-N 2.93Å |
| 236 | E | 63 | Low | 77.2 | Confident | 89 Ų | 89 | 101 Ų | 101 | 42% | 0.416 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -64 | -20.1 | -169.1 | -152.3 | 164.9 | -174.4 | 0 | 0 | 112.9 | L232 R233 L238 Q239 | L232-E236 PolarHBondContact O-N 2.8Å; R233-E236 WeakPolarHBondContact O-CB 3.41Å; E236-L238 PolarHBondContact O-N 3.21Å; E236-Q239 PolarHBondContact O-N 2.92Å |
| 237 | D | 60.6 | Low | 76.7 | Confident | 170 Ų | 170 | 98.4 Ų | 98.4 | 91% | 0.909 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -62.9 | -17 | 176.4 | -82 | -21.5 | 0 | 0 | 0 | 114.5 | V235 | V235-D237 PolarHBondContact O-N 3.43Å; V235-D237 VanDerWaalsContact O-N 3.09Å |
| 238 | L | 62.3 | Low | 76.4 | Confident | 155 Ų | 155 | 98.2 Ų | 98.2 | 81% | 0.812 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -106.7 | 1.8 | -177.8 | -89.3 | 100.5 | 0 | 0 | 0 | 115.6 | V235 E236 | V235-L238 PolarHBondContact O-N 2.93Å; E236-L238 PolarHBondContact O-N 3.21Å |
| 239 | Q | 70.6 | Confident | 76.2 | Confident | 55 Ų | 55 | 101.6 Ų | 101.6 | 26% | 0.257 | 50% | 0.5 | S | S | . | . | trans | -96.4 | 136.4 | -171 | -63.5 | -161.8 | -32.6 | 0 | 0 | 114.6 | E236 I244 | E236-Q239 PolarHBondContact O-N 2.92Å; Q239-I244 HydrophobicContact CB-CD1 4.46Å; Q239-I244 HydrophobicContact CB-CG1 4.12Å | ||
| 240 | T | 76.3 | Confident | 76.1 | Confident | 91 Ų | 91 | 101.8 Ų | 101.8 | 56% | 0.558 | 50% | 0.5 | S | S | * | . | trans | -67.7 | 151.7 | 175 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | Q242 V243 I244 | T240-Q242 PolarHBondContact O-N 3.15Å; T240-V243 PolarHBondContact O-N 3.4Å; T240-V243 WeakPolarHBondContact OG1-CG2 3.33Å; T240-I244 PolarHBondContact O-N 3.41Å | ||
| 241 | I | 77.4 | Confident | 76 | Confident | 126 Ų | 126 | 96.3 Ų | 96.3 | 65% | 0.646 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -53.1 | -33.1 | -179.4 | -63.9 | 172.7 | 0 | 0 | 0 | 112.6 | K245 | I241-K245 HydrophobicContact CG2-CD 4.44Å; I241-K245 WeakPolarHBondContact O-CG 3.38Å; I241-K245 PolarHBondContact O-N 2.03Å |
| 242 | Q | 78.3 | Confident | 76.3 | Confident | 151 Ų | 151 | 95.3 Ų | 95.3 | 71% | 0.706 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -70.3 | -43 | 179.9 | -68.1 | -174.5 | -13.8 | 0 | 0 | 112.3 | T240 I244 K245 I246 | T240-Q242 PolarHBondContact O-N 3.15Å; Q242-I244 VanDerWaalsContact C-N 3.35Å; Q242-I244 PolarHBondContact O-N 3.24Å; Q242-K245 PolarHBondContact O-N 2.99Å; Q242-I246 WeakPolarHBondContact O-CG1 3.37Å; Q242-I246 PolarHBondContact O-N 2.95Å; Q242-I246 VanDerWaalsContact O-N 3.13Å |
| 243 | V | 78.6 | Confident | 76.6 | Confident | 58 Ų | 58 | 93.1 Ų | 93.1 | 35% | 0.352 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 178.3 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | T240 K245 I246 L247 | T240-V243 PolarHBondContact O-N 3.4Å; T240-V243 WeakPolarHBondContact OG1-CG2 3.33Å; V243-K245 VanDerWaalsContact C-N 3.31Å; V243-K245 PolarHBondContact O-N 2.96Å; V243-I246 PolarHBondContact O-N 3.05Å; V243-L247 HydrophobicContact CG1-CD1 3.94Å; V243-L247 HydrophobicContact CG1-CG 4.43Å; V243-L247 PolarHBondContact O-N 2.77Å |
| 244 | I | 78.7 | Confident | 77.1 | Confident | 39 Ų | 39 | 87 Ų | 87 | 20% | 0.2 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 176.5 | -62.8 | 171.7 | 0 | 0 | 0 | 111.3 | Q239 T240 Q242 K248 | Q239-I244 HydrophobicContact CB-CD1 4.46Å; Q239-I244 HydrophobicContact CB-CG1 4.12Å; T240-I244 PolarHBondContact O-N 3.41Å; Q242-I244 VanDerWaalsContact C-N 3.35Å; Q242-I244 PolarHBondContact O-N 3.24Å; I244-K248 HydrophobicContact CG2-CD 4.06Å; I244-K248 WeakPolarHBondContact O-CB 3.06Å; I244-K248 VanDerWaalsContact O-CG 3.3Å; I244-K248 WeakPolarHBondContact O-CG 3.12Å; I244-K248 PolarHBondContact O-N 2.85Å |
| 245 | K | 80.8 | Confident | 77.8 | Confident | 144 Ų | 144 | 87.8 Ų | 87.8 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.2 | -42.9 | 177.6 | -75.8 | 174.2 | -178.4 | 174.9 | 0 | 112.1 | I241 Q242 V243 Y249 | I241-K245 HydrophobicContact CG2-CD 4.44Å; I241-K245 WeakPolarHBondContact O-CG 3.38Å; I241-K245 PolarHBondContact O-N 2.03Å; Q242-K245 PolarHBondContact O-N 2.99Å; V243-K245 VanDerWaalsContact C-N 3.31Å; V243-K245 PolarHBondContact O-N 2.96Å; K245-Y249 PolarHBondContact O-N 3.17Å; K245-Y249 VanDerWaalsContact O-N 3.14Å |
| 246 | I | 80.3 | Confident | 78.7 | Confident | 107 Ų | 107 | 84 Ų | 84 | 55% | 0.549 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.6 | -48.9 | 178.3 | -66.2 | 168 | 0 | 0 | 0 | 110.1 | Q242 V243 K248 Y249 E250 | Q242-I246 WeakPolarHBondContact O-CG1 3.37Å; Q242-I246 PolarHBondContact O-N 2.95Å; Q242-I246 VanDerWaalsContact O-N 3.13Å; V243-I246 PolarHBondContact O-N 3.05Å; I246-K248 VanDerWaalsContact C-N 3.35Å; I246-K248 PolarHBondContact O-N 2.86Å; I246-Y249 WeakPolarHBondContact O-CB 3.49Å; I246-Y249 PolarHBondContact O-N 2.97Å; I246-Y249 VanDerWaalsContact O-N 3.07Å; I246-E250 HydrophobicContact CG2-CG 4.42Å; I246-E250 PolarHBondContact O-N 2.73Å |
| 247 | L | 78.7 | Confident | 80 | Confident | 48 Ų | 48 | 79.9 Ų | 79.9 | 25% | 0.251 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 178.3 | -75.1 | 171.5 | 0 | 0 | 0 | 112.7 | L232 V243 Y249 E250 K251 | L232-L247 HydrophobicContact CD1-CD1 4.14Å; L232-L247 HydrophobicContact CD1-CD2 3.94Å; V243-L247 HydrophobicContact CG1-CD1 3.94Å; V243-L247 HydrophobicContact CG1-CG 4.43Å; V243-L247 PolarHBondContact O-N 2.77Å; L247-Y249 VanDerWaalsContact C-N 3.29Å; L247-Y249 PolarHBondContact O-N 2.9Å; L247-E250 PolarHBondContact O-N 3.1Å; L247-K251 VanDerWaalsContact O-CB 3.32Å; L247-K251 WeakPolarHBondContact O-CB 3.39Å; L247-K251 PolarHBondContact O-N 2.9Å |
| 248 | K | 82.3 | Confident | 81.4 | Confident | 137 Ų | 137 | 77 Ų | 77 | 60% | 0.596 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.9 | -38.6 | 175 | -77.7 | 176.5 | -179.1 | 174.7 | 0 | 112 | I244 I246 K252 | I244-K248 HydrophobicContact CG2-CD 4.06Å; I244-K248 WeakPolarHBondContact O-CB 3.06Å; I244-K248 VanDerWaalsContact O-CG 3.3Å; I244-K248 WeakPolarHBondContact O-CG 3.12Å; I244-K248 PolarHBondContact O-N 2.85Å; I246-K248 VanDerWaalsContact C-N 3.35Å; I246-K248 PolarHBondContact O-N 2.86Å; K248-K252 WeakPolarHBondContact O-CB 3.37Å; K248-K252 PolarHBondContact O-N 3.11Å; K248-K252 VanDerWaalsContact O-N 3.15Å |
| 249 | Y | 82.5 | Confident | 83 | Confident | 92 Ų | 92 | 72.9 Ų | 72.9 | 36% | 0.361 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.7 | -48.1 | 175.7 | 177.8 | -105.7 | 0 | 0 | 0 | 111.6 | K245 I246 L247 K251 K252 L253 | K245-Y249 PolarHBondContact O-N 3.17Å; K245-Y249 VanDerWaalsContact O-N 3.14Å; I246-Y249 WeakPolarHBondContact O-CB 3.49Å; I246-Y249 PolarHBondContact O-N 2.97Å; I246-Y249 VanDerWaalsContact O-N 3.07Å; L247-Y249 VanDerWaalsContact C-N 3.29Å; L247-Y249 PolarHBondContact O-N 2.9Å; Y249-K251 PolarHBondContact O-N 3.45Å; Y249-K252 WeakPolarHBondContact O-CB 3.47Å; Y249-K252 PolarHBondContact O-N 3.48Å; Y249-K252 VanDerWaalsContact O-N 3.1Å; Y249-L253 HydrophobicContact CD1-CD1 4.01Å; Y249-L253 HydrophobicContact CE1-CD1 3.39Å; Y249-L253 HydrophobicContact CE1-CG 4.18Å; Y249-L253 HydrophobicContact CE2-CD1 4.39Å; Y249-L253 HydrophobicContact CE2-CD2 4.43Å; Y249-L253 HydrophobicContact CE2-CG 4.41Å; Y249-L253 PolarHBondContact O-N 3.15Å |
| 250 | E | 81.8 | Confident | 84 | Confident | 25 Ų | 25 | 70.3 Ų | 70.3 | 12% | 0.117 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 178.6 | -71.4 | -58.5 | 142.7 | 0 | 0 | 112.5 | R139 V143 I246 L247 K252 L253 A254 | R139-E250 IonicContact CZ-OE2 3.62Å; R139-E250 IonicContact NH1-OE1 3.71Å; R139-E250 IonicContact NH1-OE2 3.55Å; R139-E250 PolarHBondContact NH1-OE2 3Å; V143-E250 HydrophobicContact CG2-CB 3.97Å; I246-E250 HydrophobicContact CG2-CG 4.42Å; I246-E250 PolarHBondContact O-N 2.73Å; L247-E250 PolarHBondContact O-N 3.1Å; E250-K252 VanDerWaalsContact C-N 3.26Å; E250-K252 PolarHBondContact O-N 3.46Å; E250-L253 PolarHBondContact O-N 3.17Å; E250-L253 VanDerWaalsContact O-N 3.1Å; E250-A254 PolarHBondContact O-N 2.89Å |
| 251 | K | 82 | Confident | 84.8 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.7 | -38.5 | 173 | -176.3 | 176.5 | -173.5 | 178.8 | 0 | 112 | I229 L247 Y249 K255 | I229-K251 HydrophobicContact CD1-CB 4.4Å; I229-K251 HydrophobicContact CD1-CD 4.41Å; I229-K251 HydrophobicContact CD1-CG 4.09Å; I229-K251 HydrophobicContact CG2-CD 4.39Å; L247-K251 VanDerWaalsContact O-CB 3.32Å; L247-K251 WeakPolarHBondContact O-CB 3.39Å; L247-K251 PolarHBondContact O-N 2.9Å; Y249-K251 PolarHBondContact O-N 3.45Å; K251-K255 WeakPolarHBondContact O-CG 3.23Å; K251-K255 PolarHBondContact O-N 3.07Å |
| 252 | K | 87.9 | Confident | 85.6 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 30% | 0.304 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 176.4 | -176.4 | 176.8 | 176.4 | -176.5 | 0 | 111.5 | K248 Y249 E250 K255 M256 M312 | K248-K252 WeakPolarHBondContact O-CB 3.37Å; K248-K252 PolarHBondContact O-N 3.11Å; K248-K252 VanDerWaalsContact O-N 3.15Å; Y249-K252 WeakPolarHBondContact O-CB 3.47Å; Y249-K252 PolarHBondContact O-N 3.48Å; Y249-K252 VanDerWaalsContact O-N 3.1Å; E250-K252 VanDerWaalsContact C-N 3.26Å; E250-K252 PolarHBondContact O-N 3.46Å; K252-K255 PolarHBondContact O-N 3.05Å; K252-M256 PolarHBondContact O-N 3.14Å; K252-M256 VanDerWaalsContact O-N 3.07Å; K252-M312 WeakPolarHBondContact CE-O 3.21Å; K252-M312 PolarHBondContact NZ-O 3.49Å |
| 253 | L | 85.7 | Confident | 86.4 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.2 | -40.1 | 175.9 | -65 | -177.6 | 0 | 0 | 0 | 112.1 | Y249 E250 K255 M256 C257 I313 | Y249-L253 HydrophobicContact CD1-CD1 4.01Å; Y249-L253 HydrophobicContact CE1-CD1 3.39Å; Y249-L253 HydrophobicContact CE1-CG 4.18Å; Y249-L253 HydrophobicContact CE2-CD1 4.39Å; Y249-L253 HydrophobicContact CE2-CD2 4.43Å; Y249-L253 HydrophobicContact CE2-CG 4.41Å; Y249-L253 PolarHBondContact O-N 3.15Å; E250-L253 PolarHBondContact O-N 3.17Å; E250-L253 VanDerWaalsContact O-N 3.1Å; L253-K255 PolarHBondContact O-N 3.49Å; L253-M256 WeakPolarHBondContact O-CB 3.49Å; L253-M256 PolarHBondContact O-N 3.18Å; L253-C257 PolarHBondContact O-N 2.91Å; L253-C257 PolarHBondContact O-SG 3.45Å; L253-I313 HydrophobicContact CD2-CG1 4.23Å |
| 254 | A | 85.9 | Confident | 87.2 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y222 I225 E250 M256 C257 F258 | Y222-A254 HydrophobicContact CE1-CB 4.28Å; Y222-A254 WeakPolarHBondContact CE1-O 3.21Å; Y222-A254 PolarHBondContact OH-O 3.46Å; I225-A254 HydrophobicContact CG2-CB 4.41Å; E250-A254 PolarHBondContact O-N 2.89Å; A254-M256 VanDerWaalsContact C-N 3.34Å; A254-M256 PolarHBondContact O-N 3.14Å; A254-C257 PolarHBondContact O-N 2.8Å; A254-F258 WeakPolarHBondContact O-CB 2.94Å; A254-F258 PolarHBondContact O-N 3.46Å |
| 255 | K | 88.6 | Confident | 87.9 | Confident | 128 Ų | 128 | 57.4 Ų | 57.4 | 56% | 0.557 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.5 | -41.5 | 173.4 | -77.2 | -179.1 | 176.9 | -167.6 | 0 | 112.8 | K251 K252 L253 F258 L259 | K251-K255 WeakPolarHBondContact O-CG 3.23Å; K251-K255 PolarHBondContact O-N 3.07Å; K252-K255 PolarHBondContact O-N 3.05Å; L253-K255 PolarHBondContact O-N 3.49Å; K255-F258 PolarHBondContact O-N 2.97Å; K255-L259 PolarHBondContact O-N 3.06Å |
| 256 | M | 91.4 | Very high | 88.6 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.4 | -48.8 | 175.9 | 176.4 | -148.4 | 75.9 | 0 | 0 | 111.1 | L80 K252 L253 A254 F258 L259 M260 I308 Y309 M312 I313 | L80-M256 HydrophobicContact CD1-CE 4.42Å; L80-M256 HydrophobicContact CD2-CE 4.1Å; K252-M256 PolarHBondContact O-N 3.14Å; K252-M256 VanDerWaalsContact O-N 3.07Å; L253-M256 WeakPolarHBondContact O-CB 3.49Å; L253-M256 PolarHBondContact O-N 3.18Å; A254-M256 VanDerWaalsContact C-N 3.34Å; A254-M256 PolarHBondContact O-N 3.14Å; M256-F258 VanDerWaalsContact C-N 3.25Å; M256-F258 PolarHBondContact O-N 2.98Å; M256-L259 WeakPolarHBondContact O-CB 3.28Å; M256-L259 PolarHBondContact O-N 3.16Å; M256-L259 VanDerWaalsContact O-N 3.14Å; M256-M260 HydrophobicContact CE-SD 3.88Å; M256-M260 HydrophobicContact CG-SD 4.35Å; M256-M260 WeakPolarHBondContact O-CG 3.16Å; M256-M260 PolarHBondContact O-N 2.85Å; M256-I308 HydrophobicContact CG-CG2 3.87Å; M256-Y309 VanDerWaalsContact SD-CB 3.53Å; M256-M312 HydrophobicContact CB-CB 4.25Å; M256-M312 HydrophobicContact CB-CE 3.89Å; M256-M312 HydrophobicContact CB-SD 3.75Å; M256-M312 HydrophobicContact CG-CB 3.97Å; M256-M312 HydrophobicContact CG-CG 4.47Å; M256-M312 HydrophobicContact CG-SD 3.84Å; M256-I313 HydrophobicContact CE-CD1 4.48Å; M256-I313 HydrophobicContact SD-CD1 3.61Å; M256-I313 HydrophobicContact SD-CG1 3.59Å; M256-I313 VanDerWaalsContact SD-CG1 3.59Å |
| 257 | C | 89.7 | Confident | 89.3 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 177.5 | -65.3 | 0 | 0 | 0 | 0 | 111.2 | Y222 L253 A254 M260 I261 | Y222-C257 WeakPolarHBondContact OH-CB 3.18Å; L253-C257 PolarHBondContact O-N 2.91Å; L253-C257 PolarHBondContact O-SG 3.45Å; A254-C257 PolarHBondContact O-N 2.8Å; C257-M260 PolarHBondContact O-N 3.42Å; C257-I261 WeakPolarHBondContact O-CD1 3.5Å; C257-I261 VanDerWaalsContact O-CG1 3.28Å; C257-I261 WeakPolarHBondContact O-CG1 3.43Å; C257-I261 PolarHBondContact O-N 3.2Å |
| 258 | F | 90.3 | Very high | 90.1 | Very high | 111 Ų | 111 | 49.4 Ų | 49.4 | 49% | 0.487 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 175.3 | 178.7 | -92.2 | 0 | 0 | 0 | 111.5 | Y222 A254 K255 M256 M260 I261 F262 | Y222-F258 HydrophobicContact CD1-CD2 4.4Å; Y222-F258 HydrophobicContact CE1-CB 3.87Å; Y222-F258 HydrophobicContact CE1-CD2 4.49Å; Y222-F258 HydrophobicContact CG-CD2 4.48Å; Y222-F258 PolarHBondContact OH-N 3.4Å; A254-F258 WeakPolarHBondContact O-CB 2.94Å; A254-F258 PolarHBondContact O-N 3.46Å; K255-F258 PolarHBondContact O-N 2.97Å; M256-F258 VanDerWaalsContact C-N 3.25Å; M256-F258 PolarHBondContact O-N 2.98Å; F258-M260 VanDerWaalsContact C-N 3.34Å; F258-M260 PolarHBondContact O-N 3.22Å; F258-I261 PolarHBondContact O-N 3.27Å; F258-F262 WeakPolarHBondContact O-CB 3.35Å; F258-F262 PolarHBondContact O-N 3.45Å |
| 259 | L | 94.3 | Very high | 90.6 | Very high | 68 Ų | 68 | 46 Ų | 46 | 36% | 0.356 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 175.8 | -177.1 | 61.6 | 0 | 0 | 0 | 111.5 | K255 M256 I261 F262 T263 I308 M312 | K255-L259 PolarHBondContact O-N 3.06Å; M256-L259 WeakPolarHBondContact O-CB 3.28Å; M256-L259 PolarHBondContact O-N 3.16Å; M256-L259 VanDerWaalsContact O-N 3.14Å; L259-I261 PolarHBondContact O-N 2.97Å; L259-F262 PolarHBondContact O-N 3.43Å; L259-T263 WeakPolarHBondContact O-CB 3.43Å; L259-T263 PolarHBondContact O-N 3.25Å; L259-T263 PolarHBondContact O-OG1 3.35Å; L259-T263 VanDerWaalsContact O-OG1 3.08Å; L259-I308 HydrophobicContact CB-CG2 4.41Å; L259-I308 HydrophobicContact CD2-CG1 4.2Å; L259-I308 HydrophobicContact CD2-CG2 3.95Å; L259-I308 HydrophobicContact CG-CD1 4.2Å; L259-I308 HydrophobicContact CG-CG1 4.35Å; L259-I308 HydrophobicContact CG-CG2 4.26Å; L259-M312 HydrophobicContact CD2-SD 3.8Å |
| 260 | M | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 175.9 | -66.3 | 172.2 | 63.2 | 0 | 0 | 111.9 | L80 I83 L132 M256 C257 F258 T263 F264 I308 Y309 | L80-M260 HydrophobicContact CD2-CE 4Å; L80-M260 HydrophobicContact CD2-SD 4.1Å; I83-M260 HydrophobicContact CD1-CE 3.65Å; L132-M260 HydrophobicContact CD2-CB 3.8Å; L132-M260 HydrophobicContact CD2-CE 3.97Å; M256-M260 HydrophobicContact CE-SD 3.88Å; M256-M260 HydrophobicContact CG-SD 4.35Å; M256-M260 WeakPolarHBondContact O-CG 3.16Å; M256-M260 PolarHBondContact O-N 2.85Å; C257-M260 PolarHBondContact O-N 3.42Å; F258-M260 VanDerWaalsContact C-N 3.34Å; F258-M260 PolarHBondContact O-N 3.22Å; M260-T263 PolarHBondContact O-N 3.44Å; M260-F264 WeakPolarHBondContact O-CB 3.25Å; M260-F264 PolarHBondContact O-N 3.25Å; M260-I308 HydrophobicContact CG-CB 4.11Å; M260-I308 HydrophobicContact CG-CD1 4.06Å; M260-I308 HydrophobicContact CG-CG2 3.63Å; M260-I308 HydrophobicContact SD-CG2 4.5Å; M260-Y309 HydrophobicContact CE-CD1 3.89Å; M260-Y309 HydrophobicContact CE-CE1 4.29Å; M260-Y309 HydrophobicContact SD-CD1 4.04Å |
| 261 | I | 92.9 | Very high | 91.8 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 5% | 0.046 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 176.1 | -69.7 | 160.6 | 0 | 0 | 0 | 111.1 | L132 A136 I218 Y222 C257 F258 L259 T263 F264 L265 | L132-I261 HydrophobicContact CB-CG1 4.03Å; L132-I261 HydrophobicContact CD1-CG1 4.46Å; L132-I261 HydrophobicContact CD2-CG1 4.2Å; L132-I261 HydrophobicContact CG-CG1 4.47Å; A136-I261 HydrophobicContact CB-CD1 4.3Å; I218-I261 HydrophobicContact CD1-CD1 4.08Å; I218-I261 HydrophobicContact CD1-CG1 4.18Å; I218-I261 HydrophobicContact CD1-CG2 4.15Å; I218-I261 HydrophobicContact CG1-CD1 4.16Å; I218-I261 HydrophobicContact CG2-CD1 3.83Å; I218-I261 HydrophobicContact CG2-CG2 4.01Å; Y222-I261 HydrophobicContact CD2-CD1 4.47Å; Y222-I261 HydrophobicContact CE2-CD1 3.54Å; C257-I261 WeakPolarHBondContact O-CD1 3.5Å; C257-I261 VanDerWaalsContact O-CG1 3.28Å; C257-I261 WeakPolarHBondContact O-CG1 3.43Å; C257-I261 PolarHBondContact O-N 3.2Å; F258-I261 PolarHBondContact O-N 3.27Å; L259-I261 PolarHBondContact O-N 2.97Å; I261-T263 VanDerWaalsContact C-N 3.33Å; I261-T263 PolarHBondContact O-N 3Å; I261-F264 WeakPolarHBondContact O-CB 3.45Å; I261-F264 PolarHBondContact O-N 3.13Å; I261-L265 HydrophobicContact CG2-CD1 4.23Å; I261-L265 WeakPolarHBondContact O-CG 3.49Å; I261-L265 PolarHBondContact O-N 3.32Å |
| 262 | F | 94.1 | Very high | 92.4 | Very high | 113 Ų | 113 | 42 Ų | 42 | 50% | 0.496 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.3 | -46.3 | 177.6 | 174.8 | -97.8 | 0 | 0 | 0 | 111.2 | F258 L259 F264 L265 V266 | F258-F262 WeakPolarHBondContact O-CB 3.35Å; F258-F262 PolarHBondContact O-N 3.45Å; L259-F262 PolarHBondContact O-N 3.43Å; F262-F264 PolarHBondContact O-N 3.3Å; F262-L265 PolarHBondContact O-N 3.32Å; F262-V266 HydrophobicContact CD1-CG2 4.25Å; F262-V266 HydrophobicContact CD2-CG2 4.44Å; F262-V266 HydrophobicContact CE1-CG2 3.77Å; F262-V266 HydrophobicContact CE2-CG2 3.98Å; F262-V266 HydrophobicContact CZ-CG2 3.62Å; F262-V266 WeakPolarHBondContact O-CG2 3.39Å; F262-V266 PolarHBondContact O-N 2.89Å |
| 263 | T | 95.2 | Very high | 92.6 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 14% | 0.141 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 176.2 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | L259 M260 I261 L265 V266 C267 Y304 I308 | L259-T263 WeakPolarHBondContact O-CB 3.43Å; L259-T263 PolarHBondContact O-N 3.25Å; L259-T263 PolarHBondContact O-OG1 3.35Å; L259-T263 VanDerWaalsContact O-OG1 3.08Å; M260-T263 PolarHBondContact O-N 3.44Å; I261-T263 VanDerWaalsContact C-N 3.33Å; I261-T263 PolarHBondContact O-N 3Å; T263-L265 VanDerWaalsContact C-N 3.3Å; T263-L265 PolarHBondContact O-N 2.96Å; T263-V266 PolarHBondContact O-N 3.28Å; T263-C267 WeakPolarHBondContact O-CB 3.44Å; T263-C267 PolarHBondContact O-N 3.38Å; T263-C267 PolarHBondContact O-SG 3.01Å; T263-Y304 HydrophobicContact CG2-CD2 3.68Å; T263-Y304 HydrophobicContact CG2-CG 3.94Å; T263-I308 HydrophobicContact CG2-CD1 4.37Å |
| 264 | F | 93.9 | Very high | 93 | Very high | 10 Ų | 10 | 43 Ų | 43 | 4% | 0.044 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.8 | -48.2 | 174.4 | -178.7 | -82.3 | 0 | 0 | 0 | 110.9 | I129 L132 M260 I261 F262 C267 W268 N301 | I129-F264 HydrophobicContact CB-CE1 3.93Å; I129-F264 HydrophobicContact CB-CE2 4.13Å; I129-F264 HydrophobicContact CB-CZ 3.63Å; I129-F264 HydrophobicContact CD1-CD1 4.43Å; I129-F264 HydrophobicContact CD1-CE1 3.71Å; I129-F264 HydrophobicContact CD1-CZ 4.24Å; I129-F264 HydrophobicContact CG1-CD1 4.38Å; I129-F264 HydrophobicContact CG1-CE1 3.86Å; I129-F264 HydrophobicContact CG1-CZ 4.12Å; L132-F264 HydrophobicContact CD1-CB 3.67Å; L132-F264 HydrophobicContact CD1-CD2 3.81Å; L132-F264 HydrophobicContact CD1-CG 3.77Å; M260-F264 WeakPolarHBondContact O-CB 3.25Å; M260-F264 PolarHBondContact O-N 3.25Å; I261-F264 WeakPolarHBondContact O-CB 3.45Å; I261-F264 PolarHBondContact O-N 3.13Å; F262-F264 PolarHBondContact O-N 3.3Å; F264-C267 PolarHBondContact O-N 3.23Å; F264-W268 AromaticContact CD1-CD1 4Å; F264-W268 HydrophobicContact CD1-CG 4.42Å; F264-W268 AromaticContact CD2-CD1 3.68Å; F264-W268 AromaticContact CD2-NE1 3.76Å; F264-W268 HydrophobicContact CE1-CB 4.17Å; F264-W268 AromaticContact CE1-CD1 3.8Å; F264-W268 AromaticContact CE1-CG 3.93Å; F264-W268 HydrophobicContact CE1-CG 3.93Å; F264-W268 AromaticContact CE2-CD1 3.48Å; F264-W268 VanDerWaalsContact CE2-CD1 3.48Å; F264-W268 HydrophobicContact CE2-CD2 4.47Å; F264-W268 AromaticContact CE2-CE2 3.96Å; F264-W268 HydrophobicContact CE2-CG 4.2Å; F264-W268 AromaticContact CE2-NE1 3.3Å; F264-W268 VanDerWaalsContact CE2-NE1 3.3Å; F264-W268 AromaticContact CG-CD1 3.92Å; F264-W268 HydrophobicContact CZ-CB 4.5Å; F264-W268 AromaticContact CZ-CD1 3.52Å; F264-W268 HydrophobicContact CZ-CD2 4.08Å; F264-W268 AromaticContact CZ-CE2 3.98Å; F264-W268 AromaticContact CZ-CG 3.8Å; F264-W268 HydrophobicContact CZ-CG 3.8Å; F264-W268 AromaticContact CZ-NE1 3.64Å; F264-W268 WeakPolarHBondContact O-CB 3.46Å; F264-W268 VanDerWaalsContact O-CD1 3.23Å; F264-W268 PolarHBondContact O-N 2.82Å; F264-N301 WeakPolarHBondContact CA-OD1 3.41Å; F264-N301 WeakPolarHBondContact CD2-ND2 3.22Å |
| 265 | L | 94.1 | Very high | 93.2 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 20% | 0.204 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -46.1 | 179.7 | -68.2 | 172.7 | 0 | 0 | 0 | 112.3 | L215 I261 F262 T263 C267 W268 M269 | L215-L265 HydrophobicContact CD1-CD2 4.01Å; L215-L265 HydrophobicContact CD2-CD1 3.85Å; L215-L265 HydrophobicContact CD2-CD2 3.55Å; L215-L265 HydrophobicContact CD2-CG 4.17Å; L215-L265 HydrophobicContact CG-CD2 4.34Å; I261-L265 HydrophobicContact CG2-CD1 4.23Å; I261-L265 WeakPolarHBondContact O-CG 3.49Å; I261-L265 PolarHBondContact O-N 3.32Å; F262-L265 PolarHBondContact O-N 3.32Å; T263-L265 VanDerWaalsContact C-N 3.3Å; T263-L265 PolarHBondContact O-N 2.96Å; L265-C267 VanDerWaalsContact C-N 3.26Å; L265-C267 PolarHBondContact O-N 2.85Å; L265-W268 PolarHBondContact O-N 3.34Å; L265-M269 HydrophobicContact CB-CG 4.37Å; L265-M269 HydrophobicContact CD2-CE 3.45Å; L265-M269 VanDerWaalsContact CD2-CE 3.45Å; L265-M269 WeakPolarHBondContact O-CB 3.4Å; L265-M269 WeakPolarHBondContact O-CG 3.48Å; L265-M269 PolarHBondContact O-N 3.31Å |
| 266 | V | 95.4 | Very high | 93.3 | Very high | 72 Ų | 72 | 41.5 Ų | 41.5 | 44% | 0.436 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.7 | -39.4 | 178.4 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | F262 T263 P270 | F262-V266 HydrophobicContact CD1-CG2 4.25Å; F262-V266 HydrophobicContact CD2-CG2 4.44Å; F262-V266 HydrophobicContact CE1-CG2 3.77Å; F262-V266 HydrophobicContact CE2-CG2 3.98Å; F262-V266 HydrophobicContact CZ-CG2 3.62Å; F262-V266 WeakPolarHBondContact O-CG2 3.39Å; F262-V266 PolarHBondContact O-N 2.89Å; T263-V266 PolarHBondContact O-N 3.28Å; V266-P270 VanDerWaalsContact O-CD 3.22Å; V266-P270 WeakPolarHBondContact O-CD 3.39Å |
| 267 | C | 95.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.8 | -42 | 178 | -77.3 | 0 | 0 | 0 | 0 | 113.4 | T263 F264 L265 F297 A298 N301 Y304 | T263-C267 WeakPolarHBondContact O-CB 3.44Å; T263-C267 PolarHBondContact O-N 3.38Å; T263-C267 PolarHBondContact O-SG 3.01Å; F264-C267 PolarHBondContact O-N 3.23Å; L265-C267 VanDerWaalsContact C-N 3.26Å; L265-C267 PolarHBondContact O-N 2.85Å; C267-F297 WeakPolarHBondContact CB-O 3.49Å; C267-F297 CarbonylContact O-C 3.51Å; C267-F297 VanDerWaalsContact O-C 3.31Å; C267-F297 PolarHBondContact SG-O 3.36Å; C267-A298 WeakPolarHBondContact O-CA 3.46Å; C267-A298 PolarHBondContact O-N 3.35Å; C267-N301 HydrophobicContact CB-CB 3.79Å; C267-Y304 VanDerWaalsContact SG-CE2 3.54Å |
| 268 | W | 94.8 | Very high | 93.3 | Very high | 56 Ų | 56 | 45 Ų | 45 | 21% | 0.212 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -90.8 | -27 | -172.7 | -78.1 | 86.4 | 0 | 0 | 0 | 114.3 | F264 L265 Y271 I272 A298 | F264-W268 AromaticContact CD1-CD1 4Å; F264-W268 HydrophobicContact CD1-CG 4.42Å; F264-W268 AromaticContact CD2-CD1 3.68Å; F264-W268 AromaticContact CD2-NE1 3.76Å; F264-W268 HydrophobicContact CE1-CB 4.17Å; F264-W268 AromaticContact CE1-CD1 3.8Å; F264-W268 AromaticContact CE1-CG 3.93Å; F264-W268 HydrophobicContact CE1-CG 3.93Å; F264-W268 AromaticContact CE2-CD1 3.48Å; F264-W268 VanDerWaalsContact CE2-CD1 3.48Å; F264-W268 HydrophobicContact CE2-CD2 4.47Å; F264-W268 AromaticContact CE2-CE2 3.96Å; F264-W268 HydrophobicContact CE2-CG 4.2Å; F264-W268 AromaticContact CE2-NE1 3.3Å; F264-W268 VanDerWaalsContact CE2-NE1 3.3Å; F264-W268 AromaticContact CG-CD1 3.92Å; F264-W268 HydrophobicContact CZ-CB 4.5Å; F264-W268 AromaticContact CZ-CD1 3.52Å; F264-W268 HydrophobicContact CZ-CD2 4.08Å; F264-W268 AromaticContact CZ-CE2 3.98Å; F264-W268 AromaticContact CZ-CG 3.8Å; F264-W268 HydrophobicContact CZ-CG 3.8Å; F264-W268 AromaticContact CZ-NE1 3.64Å; F264-W268 WeakPolarHBondContact O-CB 3.46Å; F264-W268 VanDerWaalsContact O-CD1 3.23Å; F264-W268 PolarHBondContact O-N 2.82Å; L265-W268 PolarHBondContact O-N 3.34Å; W268-Y271 PolarHBondContact O-N 3.37Å; W268-Y271 VanDerWaalsContact O-N 3.13Å; W268-I272 HydrophobicContact CB-CD1 4.07Å; W268-I272 WeakPolarHBondContact O-CG1 2.99Å; W268-I272 PolarHBondContact O-N 2.81Å; W268-A298 HydrophobicContact CD2-CB 4.09Å; W268-A298 HydrophobicContact CE3-CB 4.13Å; W268-A298 HydrophobicContact CZ3-CB 4.41Å |
| 269 | M | 93.6 | Very high | 93.2 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 32% | 0.32 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.2 | -42.6 | -176.8 | -78.5 | -70.1 | 163.3 | 0 | 0 | 113.9 | L211 L215 L265 Y271 I272 V273 | L211-M269 HydrophobicContact CD1-CE 4.2Å; L211-M269 HydrophobicContact CD2-CE 4.47Å; L215-M269 HydrophobicContact CD1-CE 4.19Å; L265-M269 HydrophobicContact CB-CG 4.37Å; L265-M269 HydrophobicContact CD2-CE 3.45Å; L265-M269 VanDerWaalsContact CD2-CE 3.45Å; L265-M269 WeakPolarHBondContact O-CB 3.4Å; L265-M269 WeakPolarHBondContact O-CG 3.48Å; L265-M269 PolarHBondContact O-N 3.31Å; M269-Y271 VanDerWaalsContact C-N 3.27Å; M269-Y271 PolarHBondContact O-N 2.92Å; M269-I272 PolarHBondContact O-N 3.22Å; M269-V273 WeakPolarHBondContact O-CB 3.41Å; M269-V273 VanDerWaalsContact O-CG2 3.26Å; M269-V273 WeakPolarHBondContact O-CG2 3.42Å; M269-V273 PolarHBondContact O-N 3.24Å |
| 270 | P | 95.8 | Very high | 93 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 31% | 0.305 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56 | -42.1 | 176.2 | -26.5 | 35.4 | 0 | 0 | 0 | 112.8 | V266 I274 | V266-P270 VanDerWaalsContact O-CD 3.22Å; V266-P270 WeakPolarHBondContact O-CD 3.39Å; P270-I274 WeakPolarHBondContact O-CG1 3.47Å; P270-I274 PolarHBondContact O-N 2.97Å |
| 271 | Y | 93.9 | Very high | 92.7 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 8% | 0.075 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.6 | -44.4 | 179.2 | -171.9 | -106.1 | 0 | 0 | 0 | 111.6 | D182 T189 W268 M269 V273 I274 C275 Y295 | D182-Y271 WeakPolarHBondContact OD2-CE2 3.22Å; D182-Y271 PolarHBondContact OD2-OH 2.97Å; T189-Y271 VanDerWaalsContact CB-OH 3.28Å; T189-Y271 WeakPolarHBondContact CB-OH 3.41Å; T189-Y271 PolarHBondContact OG1-OH 3.39Å; W268-Y271 PolarHBondContact O-N 3.37Å; W268-Y271 VanDerWaalsContact O-N 3.13Å; M269-Y271 VanDerWaalsContact C-N 3.27Å; M269-Y271 PolarHBondContact O-N 2.92Å; Y271-V273 VanDerWaalsContact C-N 3.35Å; Y271-V273 PolarHBondContact O-N 3.25Å; Y271-I274 PolarHBondContact O-N 2.88Å; Y271-C275 PolarHBondContact O-N 3.24Å; Y271-C275 PolarHBondContact O-SG 2.96Å; Y271-Y295 HydrophobicContact CE2-CD2 4.47Å |
| 272 | I | 92.7 | Very high | 92.5 | Very high | 33 Ų | 33 | 48.9 Ų | 48.9 | 17% | 0.169 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 177.5 | -66.9 | 164.4 | 0 | 0 | 0 | 110.8 | F207 L211 W268 M269 I274 C275 F276 | F207-I272 HydrophobicContact CE2-CG2 4.19Å; L211-I272 HydrophobicContact CD1-CD1 3.81Å; L211-I272 HydrophobicContact CD2-CD1 3.97Å; L211-I272 HydrophobicContact CD2-CG2 3.89Å; W268-I272 HydrophobicContact CB-CD1 4.07Å; W268-I272 WeakPolarHBondContact O-CG1 2.99Å; W268-I272 PolarHBondContact O-N 2.81Å; M269-I272 PolarHBondContact O-N 3.22Å; I272-I274 VanDerWaalsContact C-N 3.32Å; I272-I274 PolarHBondContact O-N 3.46Å; I272-C275 PolarHBondContact O-N 3.29Å; I272-F276 WeakPolarHBondContact O-CB 3.11Å; I272-F276 PolarHBondContact O-N 3.47Å |
| 273 | V | 93.6 | Very high | 92.2 | Very high | 80 Ų | 80 | 44.9 Ų | 44.9 | 49% | 0.485 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 178.6 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | M269 Y271 F276 L277 | M269-V273 WeakPolarHBondContact O-CB 3.41Å; M269-V273 VanDerWaalsContact O-CG2 3.26Å; M269-V273 WeakPolarHBondContact O-CG2 3.42Å; M269-V273 PolarHBondContact O-N 3.24Å; Y271-V273 VanDerWaalsContact C-N 3.35Å; Y271-V273 PolarHBondContact O-N 3.25Å; V273-F276 WeakPolarHBondContact O-CB 3.45Å; V273-F276 PolarHBondContact O-N 3.44Å; V273-L277 HydrophobicContact CG1-CD1 4.46Å; V273-L277 WeakPolarHBondContact O-CG 3.41Å; V273-L277 PolarHBondContact O-N 2.64Å |
| 274 | I | 92.9 | Very high | 91.8 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 9% | 0.087 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 177.1 | -72.9 | 170.5 | 0 | 0 | 0 | 111.5 | P270 Y271 I272 F276 L277 V278 V286 I290 S294 | P270-I274 WeakPolarHBondContact O-CG1 3.47Å; P270-I274 PolarHBondContact O-N 2.97Å; Y271-I274 PolarHBondContact O-N 2.88Å; I272-I274 VanDerWaalsContact C-N 3.32Å; I272-I274 PolarHBondContact O-N 3.46Å; I274-F276 PolarHBondContact O-N 3Å; I274-L277 WeakPolarHBondContact O-CB 3.37Å; I274-L277 PolarHBondContact O-N 2.84Å; I274-L277 VanDerWaalsContact O-N 3.16Å; I274-V278 WeakPolarHBondContact O-CG2 3.21Å; I274-V278 PolarHBondContact O-N 2.87Å; I274-V286 HydrophobicContact CG2-CB 4.32Å; I274-V286 HydrophobicContact CG2-CG1 3.41Å; I274-V286 VanDerWaalsContact CG2-CG1 3.41Å; I274-V286 HydrophobicContact CG2-CG2 3.9Å; I274-I290 HydrophobicContact CD1-CG2 3.52Å; I274-I290 HydrophobicContact CG1-CG2 4.26Å; I274-S294 VanDerWaalsContact CD1-CB 3.42Å; I274-S294 VanDerWaalsContact CD1-OG 3.28Å; I274-S294 WeakPolarHBondContact CD1-OG 3.48Å |
| 275 | C | 90.5 | Very high | 91.7 | Very high | 12 Ų | 12 | 54.7 Ų | 54.7 | 8% | 0.081 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.7 | -42.7 | 175.4 | -63.2 | 0 | 0 | 0 | 0 | 110.6 | W192 Y271 I272 L277 V278 V279 | W192-C275 HydrophobicContact CD2-CB 3.99Å; W192-C275 HydrophobicContact CE3-CB 4.27Å; W192-C275 HydrophobicContact CG-CB 4.22Å; Y271-C275 PolarHBondContact O-N 3.24Å; Y271-C275 PolarHBondContact O-SG 2.96Å; I272-C275 PolarHBondContact O-N 3.29Å; C275-L277 PolarHBondContact O-N 3.14Å; C275-V278 WeakPolarHBondContact O-CB 3.38Å; C275-V278 PolarHBondContact O-N 3.42Å; C275-V279 VanDerWaalsContact O-CG2 3.28Å; C275-V279 WeakPolarHBondContact O-CG2 3.29Å; C275-V279 PolarHBondContact O-N 2.83Å |
| 276 | F | 90.1 | Very high | 91.6 | Very high | 91 Ų | 91 | 53.4 Ų | 53.4 | 40% | 0.399 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 177.8 | -136.9 | -98 | 0 | 0 | 0 | 112.6 | F207 I272 V273 I274 V279 N280 | F207-F276 HydrophobicContact CD1-CE2 4.09Å; F207-F276 HydrophobicContact CD2-CD2 4.1Å; F207-F276 AromaticContact CD2-CE2 3.83Å; F207-F276 HydrophobicContact CD2-CE2 3.83Å; F207-F276 AromaticContact CE1-CE2 3.97Å; F207-F276 HydrophobicContact CE1-CE2 3.97Å; F207-F276 HydrophobicContact CE1-CZ 4.41Å; F207-F276 AromaticContact CE2-CD2 3.92Å; F207-F276 HydrophobicContact CE2-CD2 3.92Å; F207-F276 AromaticContact CE2-CE2 3.68Å; F207-F276 HydrophobicContact CE2-CE2 3.68Å; F207-F276 HydrophobicContact CG-CE2 4.02Å; F207-F276 HydrophobicContact CZ-CD2 4.39Å; F207-F276 AromaticContact CZ-CE2 3.76Å; F207-F276 HydrophobicContact CZ-CE2 3.76Å; F207-F276 HydrophobicContact CZ-CZ 4.36Å; I272-F276 WeakPolarHBondContact O-CB 3.11Å; I272-F276 PolarHBondContact O-N 3.47Å; V273-F276 WeakPolarHBondContact O-CB 3.45Å; V273-F276 PolarHBondContact O-N 3.44Å; I274-F276 PolarHBondContact O-N 3Å; F276-V279 PolarHBondContact O-N 2.91Å; F276-N280 WeakPolarHBondContact CD1-ND2 3.42Å; F276-N280 VanDerWaalsContact CE1-ND2 3.34Å; F276-N280 WeakPolarHBondContact CE1-ND2 3.36Å; F276-N280 WeakPolarHBondContact O-CB 3.26Å; F276-N280 PolarHBondContact O-N 2.78Å; F276-N280 PolarHBondContact O-ND2 2.84Å |
| 277 | L | 91.8 | Very high | 91.5 | Very high | 62 Ų | 62 | 52.9 Ų | 52.9 | 33% | 0.325 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 173.5 | -72 | 172.7 | 0 | 0 | 0 | 111.4 | V273 I274 C275 N280 G281 H282 V286 | V273-L277 HydrophobicContact CG1-CD1 4.46Å; V273-L277 WeakPolarHBondContact O-CG 3.41Å; V273-L277 PolarHBondContact O-N 2.64Å; I274-L277 WeakPolarHBondContact O-CB 3.37Å; I274-L277 PolarHBondContact O-N 2.84Å; I274-L277 VanDerWaalsContact O-N 3.16Å; C275-L277 PolarHBondContact O-N 3.14Å; L277-N280 PolarHBondContact O-N 3.41Å; L277-G281 PolarHBondContact O-N 3.38Å; L277-H282 HydrophobicContact CB-CB 4.27Å; L277-H282 HydrophobicContact CD2-CB 4.2Å; L277-H282 CarbonylContact O-C 3.41Å; L277-H282 WeakPolarHBondContact O-CA 3.24Å; L277-H282 WeakPolarHBondContact O-CB 3.39Å; L277-H282 PolarHBondContact O-N 2.96Å; L277-V286 HydrophobicContact CB-CG2 4.39Å |
| 278 | V | 90 | Very high | 91.4 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 9% | 0.085 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 176.1 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | W192 K193 I274 C275 N280 G281 V286 | W192-V278 HydrophobicContact CB-CG1 4.41Å; W192-V278 WeakPolarHBondContact O-CG1 3.1Å; K193-V278 HydrophobicContact CB-CG1 4.26Å; K193-V278 HydrophobicContact CG-CG1 3.57Å; I274-V278 WeakPolarHBondContact O-CG2 3.21Å; I274-V278 PolarHBondContact O-N 2.87Å; C275-V278 WeakPolarHBondContact O-CB 3.38Å; C275-V278 PolarHBondContact O-N 3.42Å; V278-N280 VanDerWaalsContact C-N 3.29Å; V278-N280 PolarHBondContact O-N 2.88Å; V278-G281 PolarHBondContact O-N 2.78Å; V278-V286 HydrophobicContact CG2-CB 4.35Å; V278-V286 HydrophobicContact CG2-CG2 3.85Å |
| 279 | V | 89.1 | Confident | 91.4 | Very high | 44 Ų | 44 | 55.9 Ų | 55.9 | 27% | 0.267 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 178.9 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | W192 K195 V203 C275 F276 G281 | W192-V279 HydrophobicContact CB-CG2 4.21Å; K195-V279 PolarHBondContact NZ-O 2.78Å; V203-V279 HydrophobicContact CG1-CG1 4.43Å; V203-V279 HydrophobicContact CG1-CG2 3.62Å; C275-V279 VanDerWaalsContact O-CG2 3.28Å; C275-V279 WeakPolarHBondContact O-CG2 3.29Å; C275-V279 PolarHBondContact O-N 2.83Å; F276-V279 PolarHBondContact O-N 2.91Å; V279-G281 PolarHBondContact O-N 3.41Å |
| 280 | N | 88.6 | Confident | 91.4 | Very high | 91 Ų | 91 | 56.9 Ų | 56.9 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 12.6 | 177.1 | -71.7 | -72.2 | 0 | 0 | 0 | 114.1 | F276 L277 V278 H282 | F276-N280 WeakPolarHBondContact CD1-ND2 3.42Å; F276-N280 VanDerWaalsContact CE1-ND2 3.34Å; F276-N280 WeakPolarHBondContact CE1-ND2 3.36Å; F276-N280 WeakPolarHBondContact O-CB 3.26Å; F276-N280 PolarHBondContact O-N 2.78Å; F276-N280 PolarHBondContact O-ND2 2.84Å; L277-N280 PolarHBondContact O-N 3.41Å; V278-N280 VanDerWaalsContact C-N 3.29Å; V278-N280 PolarHBondContact O-N 2.88Å; N280-H282 VanDerWaalsContact C-N 3.29Å; N280-H282 PolarHBondContact O-N 3.46Å; N280-H282 PolarHBondContact O-ND1 3.44Å |
| 281 | G | 87.1 | Confident | 91.4 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 47% | 0.474 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L277 V278 V279 G283 | L277-G281 PolarHBondContact O-N 3.38Å; V278-G281 PolarHBondContact O-N 2.78Å; V279-G281 PolarHBondContact O-N 3.41Å; G281-G283 PolarHBondContact O-N 2.81Å |
| 282 | H | 90.1 | Very high | 91.5 | Very high | 88 Ų | 88 | 54 Ų | 54 | 41% | 0.407 | 31% | 0.305 | S | S | . | . | trans | -91.7 | 25.4 | 177.1 | -62.6 | 77.8 | 0 | 0 | 0 | 112.1 | L277 N280 H284 L285 | L277-H282 HydrophobicContact CB-CB 4.27Å; L277-H282 HydrophobicContact CD2-CB 4.2Å; L277-H282 CarbonylContact O-C 3.41Å; L277-H282 WeakPolarHBondContact O-CA 3.24Å; L277-H282 WeakPolarHBondContact O-CB 3.39Å; L277-H282 PolarHBondContact O-N 2.96Å; N280-H282 VanDerWaalsContact C-N 3.29Å; N280-H282 PolarHBondContact O-N 3.46Å; N280-H282 PolarHBondContact O-ND1 3.44Å; H282-H284 PolarHBondContact O-N 2.88Å; H282-L285 HydrophobicContact CB-CD1 4.13Å; H282-L285 WeakPolarHBondContact O-CB 3.03Å; H282-L285 PolarHBondContact O-N 2.9Å; H282-L285 VanDerWaalsContact O-N 3.09Å | ||
| 283 | G | 87.4 | Confident | 91.6 | Very high | 29 Ų | 29 | 55.7 Ų | 55.7 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -61.5 | -23.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | G281 L285 V286 | G281-G283 PolarHBondContact O-N 2.81Å; G283-L285 PolarHBondContact O-N 3.3Å; G283-V286 WeakPolarHBondContact O-CB 3.49Å; G283-V286 PolarHBondContact O-N 2.86Å |
| 284 | H | 87.5 | Confident | 91.7 | Very high | 146 Ų | 146 | 52 Ų | 52 | 68% | 0.676 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -63.7 | -22.9 | 175 | 67.9 | -86.2 | 0 | 0 | 0 | 113.4 | H282 V286 | H282-H284 PolarHBondContact O-N 2.88Å; H284-V286 VanDerWaalsContact C-N 3.29Å |
| 285 | L | 90.3 | Very high | 91.7 | Very high | 93 Ų | 93 | 51.9 Ų | 51.9 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -79.4 | -15.7 | 174.9 | -58.8 | 178.5 | 0 | 0 | 0 | 112.4 | H282 G283 T287 | H282-L285 HydrophobicContact CB-CD1 4.13Å; H282-L285 WeakPolarHBondContact O-CB 3.03Å; H282-L285 PolarHBondContact O-N 2.9Å; H282-L285 VanDerWaalsContact O-N 3.09Å; G283-L285 PolarHBondContact O-N 3.3Å; L285-T287 PolarHBondContact O-N 3.13Å |
| 286 | V | 92.9 | Very high | 91.9 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | trans | -89.8 | 93.3 | -174.7 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | V183 I274 L277 V278 G283 H284 | V183-V286 HydrophobicContact CG1-CG1 4.26Å; V183-V286 HydrophobicContact CG2-CG1 4.29Å; I274-V286 HydrophobicContact CG2-CB 4.32Å; I274-V286 HydrophobicContact CG2-CG1 3.41Å; I274-V286 VanDerWaalsContact CG2-CG1 3.41Å; I274-V286 HydrophobicContact CG2-CG2 3.9Å; L277-V286 HydrophobicContact CB-CG2 4.39Å; V278-V286 HydrophobicContact CG2-CB 4.35Å; V278-V286 HydrophobicContact CG2-CG2 3.85Å; G283-V286 WeakPolarHBondContact O-CB 3.49Å; G283-V286 PolarHBondContact O-N 2.86Å; H284-V286 VanDerWaalsContact C-N 3.29Å | ||
| 287 | T | 93.8 | Very high | 92.2 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | trans | -77.7 | 155.2 | 173.4 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | L285 T289 I290 S291 | L285-T287 PolarHBondContact O-N 3.13Å; T287-T289 PolarHBondContact O-N 3.33Å; T287-T289 VanDerWaalsContact O-N 3.15Å; T287-I290 PolarHBondContact O-N 3.22Å; T287-I290 VanDerWaalsContact O-N 3.17Å; T287-I290 WeakPolarHBondContact OG1-CG1 3.38Å; T287-I290 PolarHBondContact OG1-N 2.73Å; T287-S291 PolarHBondContact O-N 3.28Å | ||
| 288 | P | 93.6 | Very high | 92.3 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 25% | 0.247 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -51.8 | -36.2 | 173.8 | -29 | 36.2 | 0 | 0 | 0 | 113.1 | L35 F36 S291 I292 | L35-P288 HydrophobicContact CD2-CG 4.18Å; F36-P288 HydrophobicContact CE1-CB 3.97Å; F36-P288 HydrophobicContact CE2-CB 4.48Å; F36-P288 HydrophobicContact CZ-CB 3.65Å; P288-S291 PolarHBondContact O-N 3.4Å; P288-I292 WeakPolarHBondContact O-CG2 3.42Å; P288-I292 PolarHBondContact O-N 3.2Å |
| 289 | T | 94.1 | Very high | 92.5 | Very high | 84 Ų | 84 | 50.5 Ų | 50.5 | 52% | 0.515 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.2 | -47.4 | 178.8 | -52.1 | 0 | 0 | 0 | 0 | 112.7 | T287 S291 I292 V293 | T287-T289 PolarHBondContact O-N 3.33Å; T287-T289 VanDerWaalsContact O-N 3.15Å; T289-S291 VanDerWaalsContact C-N 3.33Å; T289-I292 VanDerWaalsContact O-CG2 3.28Å; T289-I292 WeakPolarHBondContact O-CG2 3.35Å; T289-V293 WeakPolarHBondContact O-CB 3.37Å; T289-V293 VanDerWaalsContact O-CG2 3.24Å; T289-V293 WeakPolarHBondContact O-CG2 3.25Å; T289-V293 PolarHBondContact O-N 3.44Å; T289-V293 VanDerWaalsContact O-N 3.09Å |
| 290 | I | 94.6 | Very high | 92.7 | Very high | 86 Ų | 86 | 48.9 Ų | 48.9 | 44% | 0.441 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 179.5 | -59.8 | 171.2 | 0 | 0 | 0 | 109.4 | I274 T287 V293 S294 | I274-I290 HydrophobicContact CD1-CG2 3.52Å; I274-I290 HydrophobicContact CG1-CG2 4.26Å; T287-I290 PolarHBondContact O-N 3.22Å; T287-I290 VanDerWaalsContact O-N 3.17Å; T287-I290 WeakPolarHBondContact OG1-CG1 3.38Å; T287-I290 PolarHBondContact OG1-N 2.73Å; I290-V293 PolarHBondContact O-N 3.3Å; I290-S294 PolarHBondContact O-N 3.41Å; I290-S294 PolarHBondContact O-OG 2.92Å |
| 291 | S | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.4 | -52.2 | 176 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | H184 T287 P288 T289 V293 S294 Y295 | H184-S291 PolarHBondContact CD2-OG 2.93Å; H184-S291 VanDerWaalsContact CD2-OG 3.28Å; T287-S291 PolarHBondContact O-N 3.28Å; P288-S291 PolarHBondContact O-N 3.4Å; T289-S291 VanDerWaalsContact C-N 3.33Å; S291-V293 PolarHBondContact O-N 3.32Å; S291-S294 PolarHBondContact O-N 3Å; S291-S294 PolarHBondContact O-OG 2.93Å; S291-Y295 WeakPolarHBondContact O-CB 3.2Å; S291-Y295 PolarHBondContact O-N 3.24Å |
| 292 | I | 95 | Very high | 93.3 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 179.6 | -167.3 | 61.8 | 0 | 0 | 0 | 112.6 | F36 L44 H184 L186 P288 T289 Y295 L296 | F36-I292 HydrophobicContact CE1-CG2 4.25Å; F36-I292 HydrophobicContact CZ-CB 4.32Å; F36-I292 HydrophobicContact CZ-CG2 3.93Å; L44-I292 HydrophobicContact CD1-CG1 4.06Å; L44-I292 HydrophobicContact CD2-CG1 3.8Å; H184-I292 HydrophobicContact CB-CB 3.77Å; H184-I292 HydrophobicContact CB-CD1 4.27Å; L186-I292 HydrophobicContact CD1-CD1 4.21Å; P288-I292 WeakPolarHBondContact O-CG2 3.42Å; P288-I292 PolarHBondContact O-N 3.2Å; T289-I292 VanDerWaalsContact O-CG2 3.28Å; T289-I292 WeakPolarHBondContact O-CG2 3.35Å; I292-Y295 HydrophobicContact CD1-CD1 4Å; I292-Y295 WeakPolarHBondContact O-CB 3.41Å; I292-Y295 PolarHBondContact O-N 3.36Å; I292-L296 VanDerWaalsContact O-CG 3.3Å; I292-L296 WeakPolarHBondContact O-CG 3.44Å; I292-L296 PolarHBondContact O-N 3.43Å |
| 293 | V | 95.3 | Very high | 93.6 | Very high | 70 Ų | 70 | 39.3 Ų | 39.3 | 42% | 0.424 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.5 | -47.3 | 177.5 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | T289 I290 S291 Y295 L296 F297 | T289-V293 WeakPolarHBondContact O-CB 3.37Å; T289-V293 VanDerWaalsContact O-CG2 3.24Å; T289-V293 WeakPolarHBondContact O-CG2 3.25Å; T289-V293 PolarHBondContact O-N 3.44Å; T289-V293 VanDerWaalsContact O-N 3.09Å; I290-V293 PolarHBondContact O-N 3.3Å; S291-V293 PolarHBondContact O-N 3.32Å; V293-Y295 VanDerWaalsContact C-N 3.3Å; V293-Y295 PolarHBondContact O-N 3.22Å; V293-L296 WeakPolarHBondContact O-CB 3.41Å; V293-L296 PolarHBondContact O-N 3.02Å; V293-F297 HydrophobicContact CG1-CD2 4.19Å; V293-F297 HydrophobicContact CG1-CE2 4.19Å; V293-F297 WeakPolarHBondContact O-CD2 3.44Å; V293-F297 PolarHBondContact O-N 3.02Å; V293-F297 VanDerWaalsContact O-N 3.16Å |
| 294 | S | 95.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.9 | -37.3 | 177.1 | 73.5 | 0 | 0 | 0 | 0 | 113 | I274 I290 S291 F297 A298 | I274-S294 VanDerWaalsContact CD1-CB 3.42Å; I274-S294 VanDerWaalsContact CD1-OG 3.28Å; I274-S294 WeakPolarHBondContact CD1-OG 3.48Å; I290-S294 PolarHBondContact O-N 3.41Å; I290-S294 PolarHBondContact O-OG 2.92Å; S291-S294 PolarHBondContact O-N 3Å; S291-S294 PolarHBondContact O-OG 2.93Å; S294-F297 WeakPolarHBondContact O-CB 3.37Å; S294-F297 PolarHBondContact O-N 3.08Å; S294-A298 PolarHBondContact O-N 3.3Å; S294-A298 VanDerWaalsContact O-N 3.08Å |
| 295 | Y | 94.1 | Very high | 94.1 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 5% | 0.051 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.3 | 177.8 | -93.4 | 0 | 0 | 0 | 111.5 | L48 T98 H184 Y271 S291 I292 V293 F297 A298 K299 | L48-Y295 HydrophobicContact CD2-CE1 4.45Å; T98-Y295 HydrophobicContact CG2-CE1 3.87Å; T98-Y295 PolarHBondContact OG1-OH 2.93Å; H184-Y295 AromaticContact NE2-CD2 3.59Å; H184-Y295 AromaticContact NE2-CG 3.65Å; Y271-Y295 HydrophobicContact CE2-CD2 4.47Å; S291-Y295 WeakPolarHBondContact O-CB 3.2Å; S291-Y295 PolarHBondContact O-N 3.24Å; I292-Y295 HydrophobicContact CD1-CD1 4Å; I292-Y295 WeakPolarHBondContact O-CB 3.41Å; I292-Y295 PolarHBondContact O-N 3.36Å; V293-Y295 VanDerWaalsContact C-N 3.3Å; V293-Y295 PolarHBondContact O-N 3.22Å; Y295-F297 VanDerWaalsContact C-N 3.34Å; Y295-F297 PolarHBondContact O-N 2.93Å; Y295-A298 PolarHBondContact O-N 3.16Å; Y295-K299 HydrophobicContact CD1-CG 4.08Å; Y295-K299 HydrophobicContact CE1-CD 4.48Å; Y295-K299 HydrophobicContact CE1-CG 3.74Å; Y295-K299 VanDerWaalsContact CE2-CE 3.4Å; Y295-K299 HydrophobicContact CE2-CG 4.41Å; Y295-K299 WeakPolarHBondContact O-CG 3.44Å; Y295-K299 PolarHBondContact O-N 3.43Å; Y295-K299 WeakPolarHBondContact OH-CE 3.39Å; Y295-K299 PolarHBondContact OH-NZ 3.34Å |
| 296 | L | 94.6 | Very high | 94.2 | Very high | 21 Ų | 21 | 31.4 Ų | 31.4 | 11% | 0.11 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 175.5 | -70.5 | 171.5 | 0 | 0 | 0 | 112.4 | L44 L47 L48 I51 I292 V293 A298 K299 S300 | L44-L296 HydrophobicContact CD2-CD1 3.77Å; L47-L296 HydrophobicContact CD1-CD1 4.46Å; L48-L296 HydrophobicContact CD1-CD2 4.31Å; L48-L296 HydrophobicContact CD2-CD2 3.62Å; L48-L296 HydrophobicContact CG-CD2 3.64Å; I51-L296 HydrophobicContact CD1-CD2 4.38Å; I292-L296 VanDerWaalsContact O-CG 3.3Å; I292-L296 WeakPolarHBondContact O-CG 3.44Å; I292-L296 PolarHBondContact O-N 3.43Å; V293-L296 WeakPolarHBondContact O-CB 3.41Å; V293-L296 PolarHBondContact O-N 3.02Å; L296-A298 VanDerWaalsContact C-N 3.35Å; L296-K299 PolarHBondContact O-N 3.08Å; L296-S300 WeakPolarHBondContact O-CB 3.47Å; L296-S300 PolarHBondContact O-N 2.99Å; L296-S300 PolarHBondContact O-OG 3.18Å |
| 297 | F | 95.3 | Very high | 94.3 | Very high | 101 Ų | 101 | 33.5 Ų | 33.5 | 44% | 0.443 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.6 | -42 | 174.3 | -92.1 | -86.9 | 0 | 0 | 0 | 112.1 | C267 V293 S294 Y295 S300 | C267-F297 WeakPolarHBondContact CB-O 3.49Å; C267-F297 CarbonylContact O-C 3.51Å; C267-F297 VanDerWaalsContact O-C 3.31Å; C267-F297 PolarHBondContact SG-O 3.36Å; V293-F297 HydrophobicContact CG1-CD2 4.19Å; V293-F297 HydrophobicContact CG1-CE2 4.19Å; V293-F297 WeakPolarHBondContact O-CD2 3.44Å; V293-F297 PolarHBondContact O-N 3.02Å; V293-F297 VanDerWaalsContact O-N 3.16Å; S294-F297 WeakPolarHBondContact O-CB 3.37Å; S294-F297 PolarHBondContact O-N 3.08Å; Y295-F297 VanDerWaalsContact C-N 3.34Å; Y295-F297 PolarHBondContact O-N 2.93Å; F297-S300 PolarHBondContact O-OG 3.27Å |
| 298 | A | 94.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C267 W268 S294 Y295 L296 N301 | C267-A298 WeakPolarHBondContact O-CA 3.46Å; C267-A298 PolarHBondContact O-N 3.35Å; W268-A298 HydrophobicContact CD2-CB 4.09Å; W268-A298 HydrophobicContact CE3-CB 4.13Å; W268-A298 HydrophobicContact CZ3-CB 4.41Å; S294-A298 PolarHBondContact O-N 3.3Å; S294-A298 VanDerWaalsContact O-N 3.08Å; Y295-A298 PolarHBondContact O-N 3.16Å; L296-A298 VanDerWaalsContact C-N 3.35Å; A298-N301 VanDerWaalsContact O-CB 3.25Å; A298-N301 WeakPolarHBondContact O-CB 3.5Å; A298-N301 PolarHBondContact O-N 3.09Å |
| 299 | K | 93.1 | Very high | 94 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 9% | 0.091 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.5 | -32.7 | 179.8 | -67.2 | -58 | -172.1 | -179.1 | 0 | 113.6 | V90 V95 Y295 L296 N301 T302 | V90-K299 HydrophobicContact CG1-CD 4.11Å; V95-K299 HydrophobicContact CG2-CB 4.48Å; V95-K299 HydrophobicContact CG2-CD 4.38Å; Y295-K299 HydrophobicContact CD1-CG 4.08Å; Y295-K299 HydrophobicContact CE1-CD 4.48Å; Y295-K299 HydrophobicContact CE1-CG 3.74Å; Y295-K299 VanDerWaalsContact CE2-CE 3.4Å; Y295-K299 HydrophobicContact CE2-CG 4.41Å; Y295-K299 WeakPolarHBondContact O-CG 3.44Å; Y295-K299 PolarHBondContact O-N 3.43Å; Y295-K299 WeakPolarHBondContact OH-CE 3.39Å; Y295-K299 PolarHBondContact OH-NZ 3.34Å; L296-K299 PolarHBondContact O-N 3.08Å; K299-N301 PolarHBondContact O-N 3.22Å; K299-T302 PolarHBondContact O-N 3.3Å; K299-T302 PolarHBondContact O-OG1 3.07Å; K299-T302 VanDerWaalsContact O-OG1 3.07Å |
| 300 | S | 94.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 8% | 0.077 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.6 | -18 | 179.1 | 67.9 | 0 | 0 | 0 | 0 | 113.6 | L296 F297 T302 V303 Y304 | L296-S300 WeakPolarHBondContact O-CB 3.47Å; L296-S300 PolarHBondContact O-N 2.99Å; L296-S300 PolarHBondContact O-OG 3.18Å; F297-S300 PolarHBondContact O-OG 3.27Å; S300-T302 PolarHBondContact O-N 2.82Å; S300-T302 VanDerWaalsContact O-N 3.11Å; S300-V303 WeakPolarHBondContact O-CB 3.45Å; S300-V303 PolarHBondContact O-N 3.44Å; S300-Y304 WeakPolarHBondContact O-CD2 3.43Å; S300-Y304 WeakPolarHBondContact O-CE2 3.28Å; S300-Y304 WeakPolarHBondContact OG-CE2 3.38Å |
| 301 | N | 94.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -52 | -34.2 | 176.3 | -172.6 | 55.9 | 0 | 0 | 0 | 113.5 | F264 C267 A298 K299 V303 Y304 N305 | F264-N301 WeakPolarHBondContact CA-OD1 3.41Å; F264-N301 WeakPolarHBondContact CD2-ND2 3.22Å; C267-N301 HydrophobicContact CB-CB 3.79Å; A298-N301 VanDerWaalsContact O-CB 3.25Å; A298-N301 WeakPolarHBondContact O-CB 3.5Å; A298-N301 PolarHBondContact O-N 3.09Å; K299-N301 PolarHBondContact O-N 3.22Å; N301-V303 PolarHBondContact O-N 3.21Å; N301-V303 VanDerWaalsContact O-N 3.15Å; N301-Y304 PolarHBondContact O-N 2.97Å; N301-N305 PolarHBondContact O-N 3.48Å |
| 302 | T | 94 | Very high | 93.3 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62 | -21.8 | -179.9 | 62.8 | 0 | 0 | 0 | 0 | 113.3 | N59 D87 V90 K299 S300 | N59-T302 PolarHBondContact ND2-O 3.43Å; D87-T302 HydrophobicContact CB-CG2 4.03Å; V90-T302 HydrophobicContact CB-CG2 3.83Å; V90-T302 HydrophobicContact CG1-CG2 3.66Å; V90-T302 HydrophobicContact CG2-CG2 4.49Å; K299-T302 PolarHBondContact O-N 3.3Å; K299-T302 PolarHBondContact O-OG1 3.07Å; K299-T302 VanDerWaalsContact O-OG1 3.07Å; S300-T302 PolarHBondContact O-N 2.82Å; S300-T302 VanDerWaalsContact O-N 3.11Å |
| 303 | V | 95.7 | Very high | 93 | Very high | 17 Ų | 17 | 30.6 Ų | 30.6 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -84 | -38.8 | 178.8 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | I51 L54 S300 N301 V307 | I51-V303 HydrophobicContact CG2-CG2 4.25Å; L54-V303 HydrophobicContact CB-CG1 3.99Å; L54-V303 HydrophobicContact CB-CG2 3.98Å; L54-V303 HydrophobicContact CD1-CG1 4.38Å; S300-V303 WeakPolarHBondContact O-CB 3.45Å; S300-V303 PolarHBondContact O-N 3.44Å; N301-V303 PolarHBondContact O-N 3.21Å; N301-V303 VanDerWaalsContact O-N 3.15Å; V303-V307 WeakPolarHBondContact O-CG2 3.49Å |
| 304 | Y | 94.4 | Very high | 92.7 | Very high | 98 Ų | 98 | 35 Ų | 35 | 38% | 0.384 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -75.6 | -35.7 | -169.6 | -54.5 | -50.4 | 0 | 0 | 0 | 113.5 | T263 C267 S300 N301 V307 I308 | T263-Y304 HydrophobicContact CG2-CD2 3.68Å; T263-Y304 HydrophobicContact CG2-CG 3.94Å; C267-Y304 VanDerWaalsContact SG-CE2 3.54Å; S300-Y304 WeakPolarHBondContact O-CD2 3.43Å; S300-Y304 WeakPolarHBondContact O-CE2 3.28Å; S300-Y304 WeakPolarHBondContact OG-CE2 3.38Å; N301-Y304 PolarHBondContact O-N 2.97Å; Y304-V307 WeakPolarHBondContact O-CB 3.33Å; Y304-V307 PolarHBondContact O-N 2.93Å; Y304-I308 VanDerWaalsContact O-CG1 3.3Å; Y304-I308 WeakPolarHBondContact O-CG1 3.27Å; Y304-I308 PolarHBondContact O-N 3.28Å |
| 305 | N | 91.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53.4 | -58.7 | -179.4 | -79.8 | -26 | 0 | 0 | 0 | 112.2 | I83 D87 N301 V307 I308 Y309 | I83-N305 HydrophobicContact CG2-CB 4.03Å; I83-N305 WeakPolarHBondContact CG2-ND2 3.33Å; D87-N305 WeakPolarHBondContact OD2-CB 3.26Å; D87-N305 PolarHBondContact OD2-ND2 3.26Å; N301-N305 PolarHBondContact O-N 3.48Å; N305-V307 VanDerWaalsContact C-N 3.32Å; N305-V307 PolarHBondContact O-N 2.91Å; N305-I308 PolarHBondContact O-N 2.8Å; N305-I308 VanDerWaalsContact O-N 3.15Å; N305-Y309 HydrophobicContact CB-CE1 4.32Å; N305-Y309 WeakPolarHBondContact O-CD1 3.46Å; N305-Y309 WeakPolarHBondContact O-CE1 3.35Å; N305-Y309 PolarHBondContact O-N 3.49Å |
| 306 | P | 92.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -49.3 | -46.6 | 172.2 | -31.1 | 35.2 | 0 | 0 | 0 | 115.4 | N58 N59 V62 I308 Y309 V310 | N58-P306 HydrophobicContact CB-CB 3.79Å; N58-P306 HydrophobicContact CB-CG 4.11Å; N59-P306 WeakPolarHBondContact OD1-CG 3.43Å; V62-P306 HydrophobicContact CG2-CB 4.12Å; P306-I308 VanDerWaalsContact C-N 3.31Å; P306-I308 PolarHBondContact O-N 3.43Å; P306-Y309 VanDerWaalsContact CA-OH 3.31Å; P306-Y309 WeakPolarHBondContact CA-OH 3.28Å; P306-Y309 WeakPolarHBondContact CG-OH 3.47Å; P306-V310 WeakPolarHBondContact O-CB 3.5Å; P306-V310 WeakPolarHBondContact O-CG2 3.36Å; P306-V310 PolarHBondContact O-N 2.87Å |
| 307 | V | 93.5 | Very high | 92.1 | Very high | 57 Ų | 57 | 42.6 Ų | 42.6 | 35% | 0.345 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.3 | -49.6 | -179.5 | 172.5 | 0 | 0 | 0 | 0 | 109.1 | V303 Y304 N305 Y309 F311 | V303-V307 WeakPolarHBondContact O-CG2 3.49Å; Y304-V307 WeakPolarHBondContact O-CB 3.33Å; Y304-V307 PolarHBondContact O-N 2.93Å; N305-V307 VanDerWaalsContact C-N 3.32Å; N305-V307 PolarHBondContact O-N 2.91Å; V307-Y309 PolarHBondContact O-N 3.23Å; V307-F311 HydrophobicContact CG1-CD2 3.7Å; V307-F311 HydrophobicContact CG1-CE2 3.9Å; V307-F311 WeakPolarHBondContact O-CB 3.48Å; V307-F311 WeakPolarHBondContact O-CD2 3.33Å; V307-F311 PolarHBondContact O-N 2.96Å |
| 308 | I | 93.2 | Very high | 91.9 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.087 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.9 | -58.1 | -177.6 | -66.8 | 162.3 | 0 | 0 | 0 | 111.6 | M256 L259 M260 T263 Y304 N305 P306 F311 M312 | M256-I308 HydrophobicContact CG-CG2 3.87Å; L259-I308 HydrophobicContact CB-CG2 4.41Å; L259-I308 HydrophobicContact CD2-CG1 4.2Å; L259-I308 HydrophobicContact CD2-CG2 3.95Å; L259-I308 HydrophobicContact CG-CD1 4.2Å; L259-I308 HydrophobicContact CG-CG1 4.35Å; L259-I308 HydrophobicContact CG-CG2 4.26Å; M260-I308 HydrophobicContact CG-CB 4.11Å; M260-I308 HydrophobicContact CG-CD1 4.06Å; M260-I308 HydrophobicContact CG-CG2 3.63Å; M260-I308 HydrophobicContact SD-CG2 4.5Å; T263-I308 HydrophobicContact CG2-CD1 4.37Å; Y304-I308 VanDerWaalsContact O-CG1 3.3Å; Y304-I308 WeakPolarHBondContact O-CG1 3.27Å; Y304-I308 PolarHBondContact O-N 3.28Å; N305-I308 PolarHBondContact O-N 2.8Å; N305-I308 VanDerWaalsContact O-N 3.15Å; P306-I308 VanDerWaalsContact C-N 3.31Å; P306-I308 PolarHBondContact O-N 3.43Å; I308-F311 PolarHBondContact O-N 2.7Å; I308-M312 HydrophobicContact CG2-SD 3.86Å; I308-M312 VanDerWaalsContact O-CB 3.22Å; I308-M312 WeakPolarHBondContact O-CB 3.47Å; I308-M312 WeakPolarHBondContact O-CG 3.24Å; I308-M312 PolarHBondContact O-N 3.28Å |
| 309 | Y | 88.6 | Confident | 91.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -78.2 | -27.4 | -173.8 | 57.8 | -105.1 | 0 | 0 | 0 | 113.4 | V62 L80 S84 M256 M260 N305 P306 V307 I313 F316 | V62-Y309 HydrophobicContact CB-CE2 4.07Å; V62-Y309 HydrophobicContact CG1-CE2 3.51Å; V62-Y309 HydrophobicContact CG2-CE2 3.44Å; V62-Y309 VanDerWaalsContact CG2-CE2 3.44Å; V62-Y309 WeakPolarHBondContact CG2-OH 3.33Å; L80-Y309 HydrophobicContact CD1-CG 4.25Å; L80-Y309 HydrophobicContact CD2-CD1 4.22Å; S84-Y309 PolarHBondContact OG-OH 3.46Å; M256-Y309 VanDerWaalsContact SD-CB 3.53Å; M260-Y309 HydrophobicContact CE-CD1 3.89Å; M260-Y309 HydrophobicContact CE-CE1 4.29Å; M260-Y309 HydrophobicContact SD-CD1 4.04Å; N305-Y309 HydrophobicContact CB-CE1 4.32Å; N305-Y309 WeakPolarHBondContact O-CD1 3.46Å; N305-Y309 WeakPolarHBondContact O-CE1 3.35Å; N305-Y309 PolarHBondContact O-N 3.49Å; P306-Y309 VanDerWaalsContact CA-OH 3.31Å; P306-Y309 WeakPolarHBondContact CA-OH 3.28Å; P306-Y309 WeakPolarHBondContact CG-OH 3.47Å; V307-Y309 PolarHBondContact O-N 3.23Å; Y309-I313 WeakPolarHBondContact O-CB 3.36Å; Y309-I313 VanDerWaalsContact O-CG1 3.32Å; Y309-I313 WeakPolarHBondContact O-CG1 3.42Å; Y309-I313 PolarHBondContact O-N 3.15Å; Y309-F316 HydrophobicContact CD2-CE2 4.48Å |
| 310 | V | 89.6 | Confident | 91.7 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 172.2 | 171 | 0 | 0 | 0 | 0 | 110.3 | V62 P306 F316 R317 L320 | V62-V310 HydrophobicContact CG2-CG2 3.75Å; P306-V310 WeakPolarHBondContact O-CB 3.5Å; P306-V310 WeakPolarHBondContact O-CG2 3.36Å; P306-V310 PolarHBondContact O-N 2.87Å; V310-F316 HydrophobicContact CG2-CD1 4.47Å; V310-R317 WeakPolarHBondContact O-CG 3.48Å; V310-L320 HydrophobicContact CG1-CD2 3.89Å |
| 311 | F | 90.1 | Very high | 91.5 | Very high | 134 Ų | 134 | 51.1 Ų | 51.1 | 59% | 0.588 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -76.8 | -34.8 | 179.2 | -78.4 | -71.4 | 0 | 0 | 0 | 113.6 | V307 I308 R317 | V307-F311 HydrophobicContact CG1-CD2 3.7Å; V307-F311 HydrophobicContact CG1-CE2 3.9Å; V307-F311 WeakPolarHBondContact O-CB 3.48Å; V307-F311 WeakPolarHBondContact O-CD2 3.33Å; V307-F311 PolarHBondContact O-N 2.96Å; I308-F311 PolarHBondContact O-N 2.7Å; F311-R317 VanDerWaalsContact O-CD 3.24Å; F311-R317 WeakPolarHBondContact O-CD 3.24Å; F311-R317 PolarHBondContact O-NH1 3.44Å |
| 312 | M | 89.8 | Confident | 91.3 | Very high | 48 Ų | 48 | 55.2 Ų | 55.2 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -82.7 | -33.6 | -176.8 | -67.9 | -170.7 | 77.9 | 0 | 0 | 113.1 | K252 M256 L259 I308 | K252-M312 WeakPolarHBondContact CE-O 3.21Å; K252-M312 PolarHBondContact NZ-O 3.49Å; M256-M312 HydrophobicContact CB-CB 4.25Å; M256-M312 HydrophobicContact CB-CE 3.89Å; M256-M312 HydrophobicContact CB-SD 3.75Å; M256-M312 HydrophobicContact CG-CB 3.97Å; M256-M312 HydrophobicContact CG-CG 4.47Å; M256-M312 HydrophobicContact CG-SD 3.84Å; L259-M312 HydrophobicContact CD2-SD 3.8Å; I308-M312 HydrophobicContact CG2-SD 3.86Å; I308-M312 VanDerWaalsContact O-CB 3.22Å; I308-M312 WeakPolarHBondContact O-CB 3.47Å; I308-M312 WeakPolarHBondContact O-CG 3.24Å; I308-M312 PolarHBondContact O-N 3.28Å |
| 313 | I | 89.1 | Confident | 91 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | trans | -89 | 114.7 | -177.7 | -57.1 | 177.4 | 0 | 0 | 0 | 110.9 | L80 L253 M256 Y309 K315 F316 R317 | L80-I313 HydrophobicContact CD1-CD1 3.46Å; L80-I313 VanDerWaalsContact CD1-CD1 3.46Å; L253-I313 HydrophobicContact CD2-CG1 4.23Å; M256-I313 HydrophobicContact CE-CD1 4.48Å; M256-I313 HydrophobicContact SD-CD1 3.61Å; M256-I313 HydrophobicContact SD-CG1 3.59Å; M256-I313 VanDerWaalsContact SD-CG1 3.59Å; Y309-I313 WeakPolarHBondContact O-CB 3.36Å; Y309-I313 VanDerWaalsContact O-CG1 3.32Å; Y309-I313 WeakPolarHBondContact O-CG1 3.42Å; Y309-I313 PolarHBondContact O-N 3.15Å; I313-K315 HydrophobicContact CG2-CB 4.15Å; I313-K315 PolarHBondContact O-N 2.92Å; I313-K315 VanDerWaalsContact O-N 3.17Å; I313-F316 HydrophobicContact CB-CB 4.33Å; I313-F316 HydrophobicContact CB-CD2 3.83Å; I313-F316 HydrophobicContact CD1-CD2 3.84Å; I313-F316 HydrophobicContact CD1-CE2 4.02Å; I313-F316 HydrophobicContact CG1-CD2 4.41Å; I313-F316 HydrophobicContact CG2-CD2 3.78Å; I313-F316 PolarHBondContact O-N 3.4Å; I313-F316 VanDerWaalsContact O-N 3.07Å; I313-R317 PolarHBondContact O-N 3.04Å; I313-R317 VanDerWaalsContact O-N 3.16Å | ||
| 314 | R | 88.3 | Confident | 90.7 | Very high | 161 Ų | 161 | 58.8 Ų | 58.8 | 61% | 0.608 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -55.2 | -37.8 | -179.8 | -70 | -176.5 | 179.3 | 171.8 | 0.5 | 113.2 | R318 | R314-R318 WeakPolarHBondContact O-CG 3.49Å; R314-R318 PolarHBondContact O-N 3.26Å |
| 315 | K | 89.6 | Confident | 90.3 | Very high | 81 Ų | 81 | 56.7 Ų | 56.7 | 35% | 0.352 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 179.8 | -62.3 | -177.6 | 176.3 | -177.3 | 0 | 111.9 | L72 I313 S319 | L72-K315 HydrophobicContact CD2-CB 3.57Å; I313-K315 HydrophobicContact CG2-CB 4.15Å; I313-K315 PolarHBondContact O-N 2.92Å; I313-K315 VanDerWaalsContact O-N 3.17Å; K315-S319 WeakPolarHBondContact O-CB 3.28Å; K315-S319 PolarHBondContact O-N 3.5Å; K315-S319 PolarHBondContact O-OG 3.2Å |
| 316 | F | 91 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.5 | -50.1 | 175.5 | -86.6 | -80.9 | 0 | 0 | 0 | 110.7 | V62 L65 L72 H77 L80 Y309 V310 I313 R318 S319 L320 | V62-F316 HydrophobicContact CG1-CE1 3.94Å; V62-F316 HydrophobicContact CG1-CZ 4.32Å; L65-F316 HydrophobicContact CB-CD1 4.4Å; L65-F316 HydrophobicContact CB-CE1 4.4Å; L65-F316 HydrophobicContact CD1-CD1 4.08Å; L72-F316 HydrophobicContact CD1-CD1 3.87Å; L72-F316 HydrophobicContact CD1-CE1 3.85Å; L72-F316 HydrophobicContact CD1-CG 4.42Å; L72-F316 HydrophobicContact CD1-CZ 4.39Å; L72-F316 HydrophobicContact CD2-CD1 4.21Å; L72-F316 HydrophobicContact CD2-CD2 3.84Å; L72-F316 HydrophobicContact CD2-CE1 4.34Å; L72-F316 HydrophobicContact CD2-CE2 4.01Å; L72-F316 HydrophobicContact CD2-CG 3.96Å; L72-F316 HydrophobicContact CD2-CZ 4.26Å; H77-F316 HydrophobicContact CB-CE2 4.48Å; H77-F316 AromaticContact CD2-CE2 3.96Å; H77-F316 AromaticContact CG-CE2 3.92Å; H77-F316 AromaticContact ND1-CE2 3.99Å; L80-F316 HydrophobicContact CD1-CE2 4.36Å; Y309-F316 HydrophobicContact CD2-CE2 4.48Å; V310-F316 HydrophobicContact CG2-CD1 4.47Å; I313-F316 HydrophobicContact CB-CB 4.33Å; I313-F316 HydrophobicContact CB-CD2 3.83Å; I313-F316 HydrophobicContact CD1-CD2 3.84Å; I313-F316 HydrophobicContact CD1-CE2 4.02Å; I313-F316 HydrophobicContact CG1-CD2 4.41Å; I313-F316 HydrophobicContact CG2-CD2 3.78Å; I313-F316 PolarHBondContact O-N 3.4Å; I313-F316 VanDerWaalsContact O-N 3.07Å; F316-R318 VanDerWaalsContact C-N 3.35Å; F316-R318 PolarHBondContact O-N 3.09Å; F316-S319 WeakPolarHBondContact O-CA 3.3Å; F316-S319 WeakPolarHBondContact O-CB 3.35Å; F316-S319 PolarHBondContact O-N 3.15Å; F316-L320 PolarHBondContact O-N 3.29Å |
| 317 | R | 91.8 | Very high | 87.9 | Confident | 116 Ų | 116 | 68.1 Ų | 68.1 | 44% | 0.438 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.8 | -46.7 | 176.6 | -63.7 | -166 | -62.1 | -162.7 | 20.2 | 113.9 | V310 F311 I313 S319 L320 L321 | V310-R317 WeakPolarHBondContact O-CG 3.48Å; F311-R317 VanDerWaalsContact O-CD 3.24Å; F311-R317 WeakPolarHBondContact O-CD 3.24Å; F311-R317 PolarHBondContact O-NH1 3.44Å; I313-R317 PolarHBondContact O-N 3.04Å; I313-R317 VanDerWaalsContact O-N 3.16Å; R317-S319 VanDerWaalsContact C-N 3.26Å; R317-S319 PolarHBondContact O-N 3.41Å; R317-L320 PolarHBondContact O-N 3.4Å; R317-L321 WeakPolarHBondContact O-CB 3.49Å; R317-L321 PolarHBondContact O-N 3.17Å |
| 318 | R | 91 | Very high | 86.3 | Confident | 170 Ų | 170 | 70.8 Ų | 70.8 | 64% | 0.642 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.1 | -34.8 | 178 | -74.2 | -178.6 | 177.9 | -178.1 | -2.3 | 111.9 | R71 R314 F316 Q322 | R71-R318 PolarHBondContact NH2-O 3.37Å; R71-R318 VanDerWaalsContact NH2-O 3.15Å; R314-R318 WeakPolarHBondContact O-CG 3.49Å; R314-R318 PolarHBondContact O-N 3.26Å; F316-R318 VanDerWaalsContact C-N 3.35Å; F316-R318 PolarHBondContact O-N 3.09Å; R318-Q322 VanDerWaalsContact O-CB 3.28Å; R318-Q322 WeakPolarHBondContact O-CB 3.3Å; R318-Q322 PolarHBondContact O-N 3.27Å |
| 319 | S | 91.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.5 | -39.4 | 179.8 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | F69 R71 K315 F316 R317 Q322 L323 | F69-S319 WeakPolarHBondContact CE2-O 3.49Å; F69-S319 VanDerWaalsContact CZ-O 3.27Å; F69-S319 WeakPolarHBondContact CZ-O 3.34Å; R71-S319 VanDerWaalsContact CZ-OG 3.32Å; R71-S319 PolarHBondContact NE-OG 3.12Å; R71-S319 PolarHBondContact NH2-OG 2.95Å; K315-S319 WeakPolarHBondContact O-CB 3.28Å; K315-S319 PolarHBondContact O-N 3.5Å; K315-S319 PolarHBondContact O-OG 3.2Å; F316-S319 WeakPolarHBondContact O-CA 3.3Å; F316-S319 WeakPolarHBondContact O-CB 3.35Å; F316-S319 PolarHBondContact O-N 3.15Å; R317-S319 VanDerWaalsContact C-N 3.26Å; R317-S319 PolarHBondContact O-N 3.41Å; S319-Q322 PolarHBondContact O-N 3.22Å; S319-L323 WeakPolarHBondContact O-CB 3.49Å; S319-L323 PolarHBondContact O-N 2.97Å |
| 320 | L | 91.9 | Very high | 83 | Confident | 42 Ų | 42 | 85 Ų | 85 | 22% | 0.22 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.4 | -50.6 | 170.8 | -178.7 | 58.1 | 0 | 0 | 0 | 111.2 | L61 L65 V310 F316 R317 Q322 L323 L324 | L61-L320 HydrophobicContact CD1-CD1 4.04Å; L61-L320 HydrophobicContact CD2-CD1 3.91Å; L61-L320 HydrophobicContact CG-CD1 4.45Å; L65-L320 HydrophobicContact CD1-CB 4.24Å; V310-L320 HydrophobicContact CG1-CD2 3.89Å; F316-L320 PolarHBondContact O-N 3.29Å; R317-L320 PolarHBondContact O-N 3.4Å; L320-Q322 VanDerWaalsContact C-N 3.35Å; L320-Q322 PolarHBondContact O-N 2.93Å; L320-L323 WeakPolarHBondContact O-CB 3.3Å; L320-L323 PolarHBondContact O-N 3.36Å; L320-L323 VanDerWaalsContact O-N 3.15Å; L320-L324 HydrophobicContact CD1-CD1 4.21Å; L320-L324 HydrophobicContact CD1-CG 4.33Å; L320-L324 HydrophobicContact CG-CD1 4.05Å; L320-L324 WeakPolarHBondContact O-CG 3.42Å; L320-L324 PolarHBondContact O-N 3.2Å |
| 321 | L | 90.1 | Very high | 81.1 | Confident | 108 Ų | 108 | 89.2 Ų | 89.2 | 57% | 0.565 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -60.1 | -44.5 | 178.3 | -173.9 | 65.7 | 0 | 0 | 0 | 111.6 | R317 L323 L324 C325 | R317-L321 WeakPolarHBondContact O-CB 3.49Å; R317-L321 PolarHBondContact O-N 3.17Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 3.17Å; L321-L324 PolarHBondContact O-N 3.1Å; L321-C325 WeakPolarHBondContact O-CB 3.41Å; L321-C325 PolarHBondContact O-N 2.97Å; L321-C325 PolarHBondContact O-SG 3.16Å |
| 322 | Q | 90 | Very high | 79.3 | Confident | 88 Ų | 88 | 90.1 Ų | 90.1 | 41% | 0.411 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 176.7 | -173.3 | 176 | -3.7 | 0 | 0 | 112.2 | F69 R318 S319 L320 L326 | F69-Q322 HydrophobicContact CE1-CB 4.15Å; F69-Q322 HydrophobicContact CE1-CG 3.99Å; F69-Q322 HydrophobicContact CZ-CB 4.21Å; F69-Q322 HydrophobicContact CZ-CG 4.32Å; R318-Q322 VanDerWaalsContact O-CB 3.28Å; R318-Q322 WeakPolarHBondContact O-CB 3.3Å; R318-Q322 PolarHBondContact O-N 3.27Å; S319-Q322 PolarHBondContact O-N 3.22Å; L320-Q322 VanDerWaalsContact C-N 3.35Å; L320-Q322 PolarHBondContact O-N 2.93Å; Q322-L326 HydrophobicContact CG-CD1 4.04Å; Q322-L326 VanDerWaalsContact O-CB 3.29Å; Q322-L326 WeakPolarHBondContact O-CB 3.26Å; Q322-L326 WeakPolarHBondContact O-CD1 3.18Å; Q322-L326 WeakPolarHBondContact O-CG 3.42Å; Q322-L326 PolarHBondContact O-N 3.37Å |
| 323 | L | 89.2 | Confident | 77.2 | Confident | 11 Ų | 11 | 98.6 Ų | 98.6 | 6% | 0.058 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 175 | -175.4 | 64.6 | 0 | 0 | 0 | 111.7 | L61 L65 K68 F69 S319 L320 L321 R327 | L61-L323 HydrophobicContact CD1-CD2 4.18Å; L65-L323 HydrophobicContact CD2-CB 4.42Å; L65-L323 HydrophobicContact CD2-CD2 3.97Å; K68-L323 HydrophobicContact CD-CD1 4.02Å; F69-L323 HydrophobicContact CE2-CB 4.25Å; F69-L323 HydrophobicContact CZ-CB 4.23Å; S319-L323 WeakPolarHBondContact O-CB 3.49Å; S319-L323 PolarHBondContact O-N 2.97Å; L320-L323 WeakPolarHBondContact O-CB 3.3Å; L320-L323 PolarHBondContact O-N 3.36Å; L320-L323 VanDerWaalsContact O-N 3.15Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 3.17Å; L323-R327 WeakPolarHBondContact O-CG 3.34Å; L323-R327 PolarHBondContact O-N 3.11Å; L323-R327 VanDerWaalsContact O-N 3.13Å |
| 324 | L | 88.8 | Confident | 75.1 | Confident | 86 Ų | 86 | 103.3 Ų | 103.3 | 45% | 0.45 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.2 | -47.1 | 176.7 | -67.5 | 169.3 | 0 | 0 | 0 | 111.4 | L320 L321 L326 R327 L328 | L320-L324 HydrophobicContact CD1-CD1 4.21Å; L320-L324 HydrophobicContact CD1-CG 4.33Å; L320-L324 HydrophobicContact CG-CD1 4.05Å; L320-L324 WeakPolarHBondContact O-CG 3.42Å; L320-L324 PolarHBondContact O-N 3.2Å; L321-L324 PolarHBondContact O-N 3.1Å; L324-L326 PolarHBondContact O-N 3.5Å; L324-R327 PolarHBondContact O-N 3.3Å; L324-R327 VanDerWaalsContact O-N 3.14Å; L324-L328 WeakPolarHBondContact O-CG 3.38Å; L324-L328 PolarHBondContact O-N 2.84Å |
| 325 | C | 85.4 | Confident | 73.2 | Confident | 53 Ų | 53 | 100.4 Ų | 100.4 | 36% | 0.358 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 176.4 | -66.8 | 0 | 0 | 0 | 0 | 112.3 | L321 R327 L328 L329 | L321-C325 WeakPolarHBondContact O-CB 3.41Å; L321-C325 PolarHBondContact O-N 2.97Å; L321-C325 PolarHBondContact O-SG 3.16Å; C325-R327 VanDerWaalsContact C-N 3.28Å; C325-R327 PolarHBondContact O-N 3.27Å; C325-L328 PolarHBondContact O-N 3.28Å; C325-L329 WeakPolarHBondContact O-CB 3.43Å; C325-L329 PolarHBondContact O-N 3.29Å |
| 326 | L | 71.4 | Confident | 70.9 | Confident | 82 Ų | 82 | 106.5 Ų | 106.5 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -34.6 | 174.5 | -78 | 165.7 | 0 | 0 | 0 | 112.1 | Q322 L324 R330 | Q322-L326 HydrophobicContact CG-CD1 4.04Å; Q322-L326 VanDerWaalsContact O-CB 3.29Å; Q322-L326 WeakPolarHBondContact O-CB 3.26Å; Q322-L326 WeakPolarHBondContact O-CD1 3.18Å; Q322-L326 WeakPolarHBondContact O-CG 3.42Å; Q322-L326 PolarHBondContact O-N 3.37Å; L324-L326 PolarHBondContact O-N 3.5Å; L326-R330 VanDerWaalsContact O-CB 3.24Å; L326-R330 WeakPolarHBondContact O-CB 3.4Å; L326-R330 PolarHBondContact O-N 2.91Å |
| 327 | R | 63.3 | Low | 68.8 | Low | 162 Ų | 162 | 114.4 Ų | 114.4 | 61% | 0.611 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.3 | -40.3 | 173.2 | -74.5 | -176.6 | 178.3 | -173.1 | 0 | 111.6 | L323 L324 C325 R330 C331 | L323-R327 WeakPolarHBondContact O-CG 3.34Å; L323-R327 PolarHBondContact O-N 3.11Å; L323-R327 VanDerWaalsContact O-N 3.13Å; L324-R327 PolarHBondContact O-N 3.3Å; L324-R327 VanDerWaalsContact O-N 3.14Å; C325-R327 VanDerWaalsContact C-N 3.28Å; C325-R327 PolarHBondContact O-N 3.27Å; R327-R330 PolarHBondContact O-N 3.48Å; R327-C331 WeakPolarHBondContact O-CB 3.46Å; R327-C331 PolarHBondContact O-N 3.41Å; R327-C331 PolarHBondContact O-SG 3.47Å |
| 328 | L | 59.6 | Low | 66.4 | Low | 112 Ų | 112 | 116.7 Ų | 116.7 | 59% | 0.586 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.8 | -44.2 | 174.7 | -69 | 167.2 | 0 | 0 | 0 | 111.8 | L324 C325 R330 C331 Q332 | L324-L328 WeakPolarHBondContact O-CG 3.38Å; L324-L328 PolarHBondContact O-N 2.84Å; C325-L328 PolarHBondContact O-N 3.28Å; L328-R330 VanDerWaalsContact C-N 3.33Å; L328-R330 PolarHBondContact O-N 3.49Å; L328-C331 PolarHBondContact O-N 2.76Å; L328-Q332 WeakPolarHBondContact O-CG 3.32Å; L328-Q332 PolarHBondContact O-N 2.8Å; L328-Q332 VanDerWaalsContact O-N 3.08Å |
| 329 | L | 56.5 | Low | 64 | Low | 108 Ų | 108 | 114.3 Ų | 114.3 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.3 | -32.7 | 173.8 | -89.3 | 143.5 | 0 | 0 | 0 | 112.9 | C325 | C325-L329 WeakPolarHBondContact O-CB 3.43Å; C325-L329 PolarHBondContact O-N 3.29Å |
| 330 | R | 55 | Low | 61.6 | Low | 207 Ų | 207 | 119.2 Ų | 119.2 | 78% | 0.781 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.1 | -34.8 | 176.1 | -158.2 | 177.8 | -158.5 | -178.1 | 5.1 | 112.1 | L326 R327 L328 Q332 R333 | L326-R330 VanDerWaalsContact O-CB 3.24Å; L326-R330 WeakPolarHBondContact O-CB 3.4Å; L326-R330 PolarHBondContact O-N 2.91Å; R327-R330 PolarHBondContact O-N 3.48Å; L328-R330 VanDerWaalsContact C-N 3.33Å; L328-R330 PolarHBondContact O-N 3.49Å; R330-Q332 VanDerWaalsContact C-N 3.25Å; R330-Q332 PolarHBondContact O-N 3.37Å; R330-R333 PolarHBondContact O-N 2.98Å |
| 331 | C | 50 | Low | 58.9 | Low | 101 Ų | 101 | 121.8 Ų | 121.8 | 68% | 0.682 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.4 | -18.4 | 172.5 | -70.5 | 0 | 0 | 0 | 0 | 113 | R327 L328 R333 P334 | R327-C331 WeakPolarHBondContact O-CB 3.46Å; R327-C331 PolarHBondContact O-N 3.41Å; R327-C331 PolarHBondContact O-SG 3.47Å; L328-C331 PolarHBondContact O-N 2.76Å; C331-R333 VanDerWaalsContact C-N 3.31Å; C331-P334 WeakPolarHBondContact O-CD 3.15Å |
| 332 | Q | 52 | Low | 56.7 | Low | 153 Ų | 153 | 120.5 Ų | 120.5 | 72% | 0.715 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -4.1 | 170.6 | -75.5 | -179.6 | 1.4 | 0 | 0 | 113.9 | L328 R330 | L328-Q332 WeakPolarHBondContact O-CG 3.32Å; L328-Q332 PolarHBondContact O-N 2.8Å; L328-Q332 VanDerWaalsContact O-N 3.08Å; R330-Q332 VanDerWaalsContact C-N 3.25Å; R330-Q332 PolarHBondContact O-N 3.37Å |
| 333 | R | 46.8 | Very low | 54 | Low | 226 Ų | 226 | 121.8 Ų | 121.8 | 85% | 0.853 | 68% | 0.681 | S | S | * | * | trans | -105.5 | 75.9 | 172.3 | -70.8 | -173.4 | 179.8 | 177.8 | -1.3 | 112.2 | R330 C331 | R330-R333 PolarHBondContact O-N 2.98Å; C331-R333 VanDerWaalsContact C-N 3.31Å | ||
| 334 | P | 44.6 | Very low | 51.4 | Low | 102 Ų | 102 | 130.5 Ų | 130.5 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -116.8 | 135.6 | 142.4 | 32.4 | -20.6 | 0 | 0 | 0 | 109.8 | C331 | C331-P334 WeakPolarHBondContact O-CD 3.15Š|
| 335 | A | 47.8 | Very low | 48.7 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 72.2 | 82 | 174.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 336 | K | 40.6 | Very low | 46 | Very low | 209 Ų | 209 | 140.5 Ų | 140.5 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -158.2 | 74.5 | 136 | -116 | 178.9 | -176.5 | -179 | 0 | 109.4 | ||||
| 337 | D | 48.3 | Very low | 44.1 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -82.5 | 109.1 | 158.7 | -69.6 | -36.9 | 0 | 0 | 0 | 107.7 | ||||
| 338 | L | 41 | Very low | 42.7 | Very low | 164 Ų | 164 | 147 Ų | 147 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -155.6 | 140.7 | 152.9 | -145.8 | 62.9 | 0 | 0 | 0 | 108.3 | ||||
| 339 | P | 40.8 | Very low | 41.2 | Very low | 119 Ų | 119 | 147 Ų | 147 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -80.1 | 153.1 | -152.9 | 19.8 | -11.2 | 0 | 0 | 0 | 113.9 | A341 | P339-A341 PolarHBondContact O-N 3.45Š| ||
| 340 | A | 40.5 | Very low | 40.1 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -63 | 114.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 341 | A | 34.4 | Very low | 39.1 | Very low | 97 Ų | 97 | 145.5 Ų | 145.5 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -84.4 | 121.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | P339 | P339-A341 PolarHBondContact O-N 3.45Š| ||
| 342 | G | 44.4 | Very low | 38.3 | Very low | 81 Ų | 81 | 149.2 Ų | 149.2 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -65.5 | 142.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 343 | S | 32.8 | Very low | 37.3 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -140 | 103.4 | 153.6 | 51.4 | 0 | 0 | 0 | 0 | 108.1 | M345 | S343-M345 PolarHBondContact O-N 3.24Š| ||
| 344 | E | 35 | Very low | 36.6 | Very low | 194 Ų | 194 | 146 Ų | 146 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | trans | -57.4 | 115.3 | 162.5 | -81.5 | -177.6 | 132.6 | 0 | 0 | 108.4 | Q346 | E344-Q346 PolarHBondContact O-N 3.45Š| ||
| 345 | M | 32.1 | Very low | 35.9 | Very low | 179 Ų | 179 | 150.7 Ų | 150.7 | 88% | 0.882 | 84% | 0.836 | S | S | * | * | trans | -86.5 | 96.1 | 169.7 | -163.2 | 165.5 | 115.2 | 0 | 0 | 108.3 | S343 I347 | S343-M345 PolarHBondContact O-N 3.24Å; M345-I347 PolarHBondContact O-N 3.18Å | ||
| 346 | Q | 29.6 | Very low | 35.3 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 79% | 0.794 | 84% | 0.838 | S | S | * | * | trans | -60.8 | 125 | 167.7 | -82.5 | -173.8 | -11.2 | 0 | 0 | 110.3 | E344 R348 | E344-Q346 PolarHBondContact O-N 3.45Å; Q346-R348 PolarHBondContact O-N 2.86Å | ||
| 347 | I | 32.1 | Very low | 35.3 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 82% | 0.821 | 83% | 0.827 | S | S | * | * | trans | -77 | 110.8 | 171.1 | -61 | 168.5 | 0 | 0 | 0 | 107.5 | M345 | M345-I347 PolarHBondContact O-N 3.18Š| ||
| 348 | R | 32 | Very low | 34.5 | Very low | 220 Ų | 220 | 146.6 Ų | 146.6 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | trans | -80 | 133.5 | 166.8 | -69.4 | -172.5 | -168.8 | -139.6 | 2.1 | 109.5 | Q346 | Q346-R348 PolarHBondContact O-N 2.86Š| ||
| 349 | P | 28.9 | Very low | 34.4 | Very low | 114 Ų | 114 | 149.4 Ų | 149.4 | 74% | 0.74 | 83% | 0.825 | S | S | * | * | trans | -73.8 | 137.8 | 170.8 | 29.2 | -30.5 | 0 | 0 | 0 | 110.4 | V351 | P349-V351 PolarHBondContact O-N 3.26Š| ||
| 350 | I | 34.3 | Very low | 34.1 | Very low | 154 Ų | 154 | 149.7 Ų | 149.7 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -79.2 | 112.6 | 173.3 | -64.2 | 168.3 | 0 | 0 | 0 | 107.5 | ||||
| 351 | V | 33.4 | Very low | 33.9 | Very low | 129 Ų | 129 | 153.6 Ų | 153.6 | 78% | 0.782 | 82% | 0.824 | S | S | * | * | trans | -79 | 117.5 | 170.9 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | P349 | P349-V351 PolarHBondContact O-N 3.26Š| ||
| 352 | M | 32.6 | Very low | 33.6 | Very low | 178 Ų | 178 | 158.3 Ų | 158.3 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -87 | 114.6 | 166.9 | -75.7 | -151 | 156.9 | 0 | 0 | 109.5 | ||||
| 353 | S | 30.9 | Very low | 32.8 | Very low | 113 Ų | 113 | 163.6 Ų | 163.6 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -83.2 | 114.5 | 170.8 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 354 | Q | 32.8 | Very low | 32.6 | Very low | 198 Ų | 198 | 164 Ų | 164 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | trans | -84.5 | 115.3 | 174.5 | -156.3 | 173.5 | 11.6 | 0 | 0 | 107.9 | ||||
| 355 | K | 29.4 | Very low | 32.3 | Very low | 202 Ų | 202 | 160.8 Ų | 160.8 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | trans | -129.1 | 135.4 | 165 | -148.4 | 178.7 | -175.2 | -178 | 0 | 109.5 | ||||
| 356 | D | 34.6 | Very low | 32.1 | Very low | 163 Ų | 163 | 161.4 Ų | 161.4 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -62.4 | 153 | -166.5 | -141.7 | -15.4 | 0 | 0 | 0 | 114.7 | ||||
| 357 | G | 41.2 | Very low | 32 | Very low | 66 Ų | 66 | 160.6 Ų | 160.6 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | trans | 68.9 | 95.7 | 159 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 358 | D | 31.5 | Very low | 32.3 | Very low | 161 Ų | 161 | 158 Ų | 158 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | -174.7 | 144.4 | 115.5 | -141.1 | -15.9 | 0 | 0 | 0 | 111.3 | |||||
| 359 | R | 40 | Very low | 32.4 | Very low | 223 Ų | 223 | 152.9 Ų | 152.9 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | trans | -73.9 | 145.3 | 175.7 | -105.3 | 179.6 | -177.9 | 177.3 | 1.8 | 110.4 | ||||
| 360 | P | 33.3 | Very low | 32.6 | Very low | 124 Ų | 124 | 152.9 Ų | 152.9 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | trans | -132.6 | 139.1 | 133.8 | 27.9 | -11.3 | 0 | 0 | 0 | 113.6 | ||||
| 361 | K | 37.2 | Very low | 32.6 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -66.9 | 137.5 | 169 | -61.9 | 172.8 | 178.2 | 175.5 | 0 | 109.8 | ||||
| 362 | K | 28.4 | Very low | 32.5 | Very low | 197 Ų | 197 | 152.6 Ų | 152.6 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | 167.2 | 137.7 | 119.9 | -92.3 | 168.5 | -176.6 | 176.4 | 0 | 114.7 | |||||
| 363 | K | 27.2 | Very low | 32.3 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 54.1 | 106.2 | 147.1 | -84.5 | -178.3 | 170.7 | -179.1 | 0 | 119 | ||||
| 364 | V | 27.5 | Very low | 32.2 | Very low | 121 Ų | 121 | 153 Ų | 153 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -88.9 | 112.1 | 156.3 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | F366 | V364-F366 HydrophobicContact CG1-CD2 3.71Å; V364-F366 HydrophobicContact CG1-CE2 3.56Å; V364-F366 HydrophobicContact CG1-CG 4.42Å; V364-F366 HydrophobicContact CG1-CZ 4.16Å | ||
| 365 | T | 29.1 | Very low | 32 | Very low | 128 Ų | 128 | 151 Ų | 151 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -95.2 | 114.5 | 158.1 | 38.7 | 0 | 0 | 0 | 0 | 107.7 | N367 | T365-N367 PolarHBondContact O-N 3.32Š| ||
| 366 | F | 28.6 | Very low | 31.9 | Very low | 192 Ų | 192 | 146.6 Ų | 146.6 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -72.5 | 117.2 | 169.2 | -80.7 | -90.6 | 0 | 0 | 0 | 109.1 | V364 | V364-F366 HydrophobicContact CG1-CD2 3.71Å; V364-F366 HydrophobicContact CG1-CE2 3.56Å; V364-F366 HydrophobicContact CG1-CG 4.42Å; V364-F366 HydrophobicContact CG1-CZ 4.16Å | ||
| 367 | N | 27.9 | Very low | 31.7 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -114.4 | 122.4 | 159.1 | -165.9 | 7.7 | 0 | 0 | 0 | 108.3 | T365 S369 | T365-N367 PolarHBondContact O-N 3.32Å; N367-S369 PolarHBondContact O-N 3.44Å | ||
| 368 | S | 36.7 | Very low | 31.3 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -65 | 107.7 | -173.3 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 369 | S | 34.2 | Very low | 31.3 | Very low | 112 Ų | 112 | 149.6 Ų | 149.6 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -160.4 | 77.2 | 156.6 | -70.6 | 0 | 0 | 0 | 0 | 108.2 | N367 I371 | N367-S369 PolarHBondContact O-N 3.44Å; S369-I371 PolarHBondContact O-N 3.06Å | ||
| 370 | S | 33.5 | Very low | 30.8 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -55.8 | 120.5 | 178.9 | -46.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 371 | I | 34.6 | Very low | 30.5 | Very low | 133 Ų | 133 | 147 Ų | 147 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | trans | -100.5 | 115.9 | 150.3 | -63.2 | 175.4 | 0 | 0 | 0 | 104.7 | S369 F373 | S369-I371 PolarHBondContact O-N 3.06Å; I371-F373 HydrophobicContact CB-CE2 4.17Å; I371-F373 HydrophobicContact CG2-CD2 4.2Å; I371-F373 HydrophobicContact CG2-CE1 4.35Å; I371-F373 HydrophobicContact CG2-CE2 3.71Å; I371-F373 HydrophobicContact CG2-CZ 3.79Å; I371-F373 PolarHBondContact O-N 3.11Å | ||
| 372 | I | 30.7 | Very low | 30.1 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -78.7 | 116.4 | 176.1 | -61.5 | 172.1 | 0 | 0 | 0 | 106.5 | I374 | I372-I374 HydrophobicContact CG2-CG1 4.38Š| ||
| 373 | F | 29.8 | Very low | 30 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 69% | 0.689 | 78% | 0.784 | S | S | * | * | trans | -96.1 | 121.2 | 164.6 | -68.3 | -82.4 | 0 | 0 | 0 | 107.7 | I371 | I371-F373 HydrophobicContact CB-CE2 4.17Å; I371-F373 HydrophobicContact CG2-CD2 4.2Å; I371-F373 HydrophobicContact CG2-CE1 4.35Å; I371-F373 HydrophobicContact CG2-CE2 3.71Å; I371-F373 HydrophobicContact CG2-CZ 3.79Å; I371-F373 PolarHBondContact O-N 3.11Å | ||
| 374 | I | 26.9 | Very low | 30 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -86 | 115.8 | 166.6 | -60.9 | 175.8 | 0 | 0 | 0 | 105.8 | I372 T376 | I372-I374 HydrophobicContact CG2-CG1 4.38Å; I374-T376 HydrophobicContact CG2-CG2 4Å; I374-T376 PolarHBondContact O-N 3.19Å | ||
| 375 | I | 30 | Very low | 30 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -83.7 | 105.8 | 169.8 | -57.9 | 171.9 | 0 | 0 | 0 | 105.6 | ||||
| 376 | T | 27.8 | Very low | 30 | Very low | 110 Ų | 110 | 138 Ų | 138 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | trans | -89.7 | 112.3 | 166.4 | 50.7 | 0 | 0 | 0 | 0 | 107.8 | I374 D378 | I374-T376 HydrophobicContact CG2-CG2 4Å; I374-T376 PolarHBondContact O-N 3.19Å; T376-D378 PolarHBondContact O-N 3.46Å | ||
| 377 | S | 30.4 | Very low | 30 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -75.8 | 102.6 | 167.1 | -25.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 378 | D | 31.9 | Very low | 30.4 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 139.4 | 171.5 | -104.9 | -9 | 0 | 0 | 0 | 110.5 | T376 | T376-D378 PolarHBondContact O-N 3.46Š|
| 379 | E | 30.8 | Very low | 30.1 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 145.6 | -171.9 | -71.2 | 177.4 | 119.5 | 0 | 0 | 113.6 | ||
| 380 | S | 31.3 | Very low | 30.3 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65 | 124.6 | 171.7 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 381 | L | 26.5 | Very low | 30.1 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -129.3 | 118.1 | 155.8 | -86.5 | 165.6 | 0 | 0 | 0 | 109.8 | ||||
| 382 | S | 28.3 | Very low | 29.9 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -100.2 | 139.2 | 174.9 | 52 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 383 | V | 27.2 | Very low | 29.9 | Very low | 138 Ų | 138 | 143 Ų | 143 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -175.7 | 104.5 | 137.7 | 173.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 384 | D | 26.5 | Very low | 30.2 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | 75 | 103.5 | 90 | -134.5 | 18.1 | 0 | 0 | 0 | 114.3 | |||||
| 385 | D | 27.7 | Very low | 30.4 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | 167.8 | 144.9 | 103.4 | -153.7 | -0.2 | 0 | 0 | 0 | 112.1 | |||||
| 386 | S | 28.2 | Very low | 30.5 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | trans | 33.2 | 106.7 | 158.9 | 69 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 387 | D | 30.1 | Very low | 30.7 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | -171.4 | 145.4 | 101.7 | -136.5 | -20 | 0 | 0 | 0 | 112.1 | T389 | D387-T389 PolarHBondContact O-N 3.43Š| |||
| 388 | K | 35.2 | Very low | 30.7 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -73.9 | 118.6 | 179 | -79.9 | 172.8 | 175.2 | 169.8 | 0 | 110.2 | ||||
| 389 | T | 29.9 | Very low | 30.7 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -163.9 | 138.6 | 139.8 | 28.9 | 0 | 0 | 0 | 0 | 111 | D387 G391 | D387-T389 PolarHBondContact O-N 3.43Å; T389-G391 PolarHBondContact O-N 2.84Å | ||
| 390 | N | 38.8 | Very low | 30.6 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 96% | 0.957 | 79% | 0.792 | S | S | * | * | trans | -50.6 | 121.5 | 179.7 | -79.3 | -24.5 | 0 | 0 | 0 | 112.6 | ||||
| 391 | G | 28.6 | Very low | 30.5 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -152.7 | 112.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T389 K393 | T389-G391 PolarHBondContact O-N 2.84Å; G391-K393 PolarHBondContact O-N 3.04Å | ||
| 392 | S | 32.2 | Very low | 30.9 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -56.6 | 120.6 | 171 | 49 | 0 | 0 | 0 | 0 | 110.3 | V394 | S392-V394 PolarHBondContact O-N 3.09Å; S392-V394 VanDerWaalsContact O-N 3.16Å | ||
| 393 | K | 30.3 | Very low | 31.1 | Very low | 205 Ų | 205 | 148.4 Ų | 148.4 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | -62.9 | 112.8 | 170.1 | -119.3 | -179.7 | 179.2 | -178.6 | 0 | 108.2 | G391 | G391-K393 PolarHBondContact O-N 3.04Š| ||
| 394 | V | 34.9 | Very low | 31.3 | Very low | 108 Ų | 108 | 148.9 Ų | 148.9 | 66% | 0.655 | 81% | 0.812 | S | S | * | * | trans | -102.1 | 112 | 172.2 | 177.8 | 0 | 0 | 0 | 0 | 106.9 | S392 V396 | S392-V394 PolarHBondContact O-N 3.09Å; S392-V394 VanDerWaalsContact O-N 3.16Å; V394-V396 HydrophobicContact CG1-CG2 4.23Å; V394-V396 PolarHBondContact O-N 3.36Å | ||
| 395 | D | 31.6 | Very low | 31.5 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -72.7 | 110.7 | 170.5 | -75.4 | -29.3 | 0 | 0 | 0 | 108.9 | ||||
| 396 | V | 31.6 | Very low | 31.8 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 75% | 0.745 | 82% | 0.815 | S | S | * | * | trans | -91.4 | 104.5 | 177.2 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | V394 Q398 | V394-V396 HydrophobicContact CG1-CG2 4.23Å; V394-V396 PolarHBondContact O-N 3.36Å; V396-Q398 PolarHBondContact O-N 3.01Å | ||
| 397 | I | 33.7 | Very low | 32 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 75% | 0.754 | 83% | 0.825 | S | S | * | * | trans | -81.3 | 108.2 | 172.1 | -59 | 172.7 | 0 | 0 | 0 | 108.3 | V399 | I397-V399 HydrophobicContact CG2-CG2 3.95Å; I397-V399 PolarHBondContact O-N 2.56Å | ||
| 398 | Q | 29.3 | Very low | 32.1 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | trans | -89.7 | 103.6 | 176.7 | -152.2 | 179.4 | 22.8 | 0 | 0 | 109.9 | V396 | V396-Q398 PolarHBondContact O-N 3.01Š| ||
| 399 | V | 31.3 | Very low | 31.9 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 116.3 | 175.4 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | I397 | I397-V399 HydrophobicContact CG2-CG2 3.95Å; I397-V399 PolarHBondContact O-N 2.56Å |
| 400 | R | 29.9 | Very low | 32.1 | Very low | 209 Ų | 209 | 149.8 Ų | 149.8 | 79% | 0.789 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -99 | 133 | 167.5 | -79.5 | -173.6 | -176.9 | -175.1 | 2.2 | 110.1 | ||
| 401 | P | 29.7 | Very low | 31.5 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 138 | 167.2 | 29.9 | -29.9 | 0 | 0 | 0 | 109.8 | ||
| 402 | L | 34.8 | Very low | 31.8 | Very low | 249 Ų | 249 | 154.5 Ų | 154.5 | 100% | 1.304 | 81% | 0.814 | S | S | * | * | trans | -83.9 | 0 | 164.5 | -95.5 | 162.7 | 0 | 0 | 0 | 110.5 |
Retrieved 402 of 402 residues in 1532.6 ms
(Link to these results)