| 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 | 51.9 | Low | 64 | Low | 217 Ų | 217 | 131.4 Ų | 131.4 | 100% | 1.069 | 67% | 0.668 | S | S | * | * | 0 | -36.3 | 0 | -71.6 | -74.9 | -89.3 | 0 | 0 | 112.4 | |||||
| 2 | S | 57.1 | Low | 63.3 | Low | 88 Ų | 88 | 134.8 Ų | 134.8 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -65.9 | -37.8 | 178 | 148.1 | 0 | 0 | 0 | 0 | 115 | K4 A5 M6 | S2-K4 PolarHBondContact O-N 2.97Å; S2-A5 PolarHBondContact O-N 3.17Å; S2-M6 PolarHBondContact O-N 3.35Å |
| 3 | E | 62.9 | Low | 63 | Low | 170 Ų | 170 | 137.8 Ų | 137.8 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -65.3 | -36.5 | -178.3 | -75.6 | 178.9 | 139.9 | 0 | 0 | 113.8 | A5 M6 D7 | E3-A5 VanDerWaalsContact C-N 3.28Å; E3-A5 PolarHBondContact O-N 3.2Å; E3-M6 PolarHBondContact O-N 3.34Å; E3-D7 PolarHBondContact O-N 3.4Å; E3-D7 VanDerWaalsContact O-N 3.11Å |
| 4 | K | 66.1 | Low | 62.5 | Low | 177 Ų | 177 | 143.3 Ų | 143.3 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -66.6 | -29.2 | 176.3 | -79.2 | -173.5 | 176.1 | 179.9 | 0 | 112.8 | S2 M8 | S2-K4 PolarHBondContact O-N 2.97Å; K4-M8 PolarHBondContact O-N 3.08Å |
| 5 | A | 63.5 | Low | 61.5 | Low | 60 Ų | 60 | 144.1 Ų | 144.1 | 50% | 0.496 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -74.2 | -38.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | S2 E3 M8 L9 | S2-A5 PolarHBondContact O-N 3.17Å; E3-A5 VanDerWaalsContact C-N 3.28Å; E3-A5 PolarHBondContact O-N 3.2Å; A5-M8 PolarHBondContact O-N 3.11Å; A5-L9 PolarHBondContact O-N 3.47Å |
| 6 | M | 61.3 | Low | 60.3 | Low | 142 Ų | 142 | 142.3 Ų | 142.3 | 70% | 0.7 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -69.1 | -38.4 | 177.8 | -117.1 | 145.5 | 139.8 | 0 | 0 | 112.5 | S2 E3 M8 L9 S10 | S2-M6 PolarHBondContact O-N 3.35Å; E3-M6 PolarHBondContact O-N 3.34Å; M6-M8 VanDerWaalsContact C-N 3.31Å; M6-M8 PolarHBondContact O-N 3.24Å; M6-L9 PolarHBondContact O-N 3.34Å; M6-S10 PolarHBondContact O-N 3.06Å; M6-S10 VanDerWaalsContact O-N 3.12Å; M6-S10 PolarHBondContact O-OG 3.27Å |
| 7 | D | 75.5 | Confident | 59.1 | Low | 81 Ų | 81 | 146.5 Ų | 146.5 | 43% | 0.433 | 73% | 0.728 | S | S | . | * | H | α-helix | trans | -73.6 | -21.9 | 177.7 | -150.4 | 46.8 | 0 | 0 | 0 | 113 | E3 S10 R11 | E3-D7 PolarHBondContact O-N 3.4Å; E3-D7 VanDerWaalsContact O-N 3.11Å; D7-S10 PolarHBondContact O-OG 3.32Å; D7-S10 VanDerWaalsContact O-OG 3.04Å; D7-R11 WeakPolarHBondContact O-CD 3.43Å; D7-R11 VanDerWaalsContact O-CG 3.23Å; D7-R11 WeakPolarHBondContact O-CG 3.45Å; D7-R11 IonicContact OD2-CZ 2.81Å; D7-R11 IonicContact OD2-NE 3.69Å; D7-R11 IonicContact OD2-NH2 2.84Å; D7-R11 PolarHBondContact OD2-NH2 2.83Å |
| 8 | M | 65.4 | Low | 57.9 | Low | 144 Ų | 144 | 142.4 Ų | 142.4 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -77.4 | -35.8 | 172.9 | -156.1 | -179.9 | -165 | 0 | 0 | 111.7 | K4 A5 M6 R11 M12 | K4-M8 PolarHBondContact O-N 3.08Å; A5-M8 PolarHBondContact O-N 3.11Å; M6-M8 VanDerWaalsContact C-N 3.31Å; M6-M8 PolarHBondContact O-N 3.24Å; M8-R11 PolarHBondContact O-N 3.34Å; M8-M12 PolarHBondContact O-N 3.42Å |
| 9 | L | 61.9 | Low | 56.9 | Low | 127 Ų | 127 | 141.9 Ų | 141.9 | 67% | 0.665 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -73.7 | -36 | -179.2 | -143.6 | 142.3 | 0 | 0 | 0 | 111.9 | A5 M6 M12 | A5-L9 PolarHBondContact O-N 3.47Å; M6-L9 PolarHBondContact O-N 3.34Å; L9-M12 PolarHBondContact O-N 3.33Å |
| 10 | S | 68.7 | Low | 55.9 | Low | 60 Ų | 60 | 140.7 Ų | 140.7 | 42% | 0.42 | 73% | 0.732 | S | S | . | * | H | α-helix | trans | -67.4 | -34.1 | 173.7 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | M6 D7 | M6-S10 PolarHBondContact O-N 3.06Å; M6-S10 VanDerWaalsContact O-N 3.12Å; M6-S10 PolarHBondContact O-OG 3.27Å; D7-S10 PolarHBondContact O-OG 3.32Å; D7-S10 VanDerWaalsContact O-OG 3.04Å |
| 11 | R | 69.4 | Low | 55.1 | Low | 179 Ų | 179 | 141.1 Ų | 141.1 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -71 | -31.2 | 175.8 | -72.3 | 175.6 | -167.3 | -147.2 | 4.7 | 112.9 | D7 M8 M13 R14 | D7-R11 WeakPolarHBondContact O-CD 3.43Å; D7-R11 VanDerWaalsContact O-CG 3.23Å; D7-R11 WeakPolarHBondContact O-CG 3.45Å; D7-R11 IonicContact OD2-CZ 2.81Å; D7-R11 IonicContact OD2-NE 3.69Å; D7-R11 IonicContact OD2-NH2 2.84Å; D7-R11 PolarHBondContact OD2-NH2 2.83Å; M8-R11 PolarHBondContact O-N 3.34Å; R11-M13 VanDerWaalsContact C-N 3.27Å; R11-M13 PolarHBondContact O-N 2.76Å; R11-R14 PolarHBondContact O-N 3.09Å |
| 12 | M | 55.7 | Low | 54.5 | Low | 173 Ų | 173 | 135.7 Ų | 135.7 | 85% | 0.852 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -71.1 | -22.8 | 179.5 | -143.1 | 179.7 | -124.7 | 0 | 0 | 112.9 | M8 L9 | M8-M12 PolarHBondContact O-N 3.42Å; L9-M12 PolarHBondContact O-N 3.33Å |
| 13 | M | 59.8 | Low | 53.7 | Low | 173 Ų | 173 | 139.5 Ų | 139.5 | 85% | 0.852 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -8.6 | -179.9 | -112.2 | -176.1 | 168.2 | 0 | 0 | 114.7 | R11 | R11-M13 VanDerWaalsContact C-N 3.27Å; R11-M13 PolarHBondContact O-N 2.76Å |
| 14 | R | 55.6 | Low | 52.6 | Low | 215 Ų | 215 | 134.6 Ų | 134.6 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -103.5 | 70.7 | 179 | -84.6 | -179.4 | 168.9 | 175.3 | -2.3 | 111.4 | R11 | R11-R14 PolarHBondContact O-N 3.09Š|
| 15 | N | 48.2 | Very low | 51.2 | Low | 155 Ų | 155 | 134.3 Ų | 134.3 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | trans | -173.2 | 118.1 | 140.7 | -108.7 | -7.3 | 0 | 0 | 0 | 111.6 | ||||
| 16 | P | 41 | Very low | 49.9 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | -92.6 | 130.7 | -178.9 | 34.6 | -28.2 | 0 | 0 | 0 | 110.2 | ||||
| 17 | K | 39.8 | Very low | 48.7 | Very low | 214 Ų | 214 | 137.5 Ų | 137.5 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | -179.8 | 108.8 | 145.5 | -100.6 | 165.9 | -168.9 | -171 | 0 | 111 | ||||
| 18 | G | 37.9 | Very low | 46.7 | Very low | 73 Ų | 73 | 137.6 Ų | 137.6 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 80.9 | 142.9 | 148.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 19 | V | 39.3 | Very low | 45.3 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | 94.6 | 111.7 | 163.5 | -165.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 20 | T | 37.3 | Very low | 44.1 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | trans | 72 | 107.8 | 154.8 | 58.4 | 0 | 0 | 0 | 0 | 118.8 | S22 | T20-S22 PolarHBondContact O-N 3Š| ||
| 21 | T | 38.5 | Very low | 42.6 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | trans | -61.7 | 92.8 | 162.6 | 34.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 22 | S | 38.6 | Very low | 40.9 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | trans | -142.3 | 80.9 | 153.4 | 49 | 0 | 0 | 0 | 0 | 107.9 | T20 | T20-S22 PolarHBondContact O-N 3Š| ||
| 23 | I | 41.4 | Very low | 40 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 86% | 0.862 | 83% | 0.825 | S | S | * | * | trans | -95.4 | 108.6 | 172.5 | -66.4 | 176.6 | 0 | 0 | 0 | 107.8 | ||||
| 24 | G | 39.8 | Very low | 38.9 | Very low | 68 Ų | 68 | 139.1 Ų | 139.1 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | trans | -68 | 154.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 25 | L | 36.7 | Very low | 38.1 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -119.8 | 90.8 | 178.6 | -137.1 | 173 | 0 | 0 | 0 | 107.3 | ||||
| 26 | I | 36.4 | Very low | 37.6 | Very low | 170 Ų | 170 | 132.8 Ų | 132.8 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | trans | -145.7 | 103.1 | 166 | -56.8 | 180 | 0 | 0 | 0 | 108.2 | ||||
| 27 | A | 36.1 | Very low | 37.5 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | 179.6 | 126.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 28 | G | 33.9 | Very low | 37.3 | Very low | 82 Ų | 82 | 130 Ų | 130 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | 114.3 | 92 | 148.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 29 | A | 36 | Very low | 37.2 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | trans | -163.6 | 89 | 133.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 30 | V | 35.3 | Very low | 37.2 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 96% | 0.958 | 83% | 0.825 | S | S | * | * | trans | -71.9 | 126.3 | 159.6 | 169 | 0 | 0 | 0 | 0 | 107 | ||||
| 31 | G | 37.3 | Very low | 37.2 | Very low | 63 Ų | 63 | 139.1 Ų | 139.1 | 65% | 0.649 | 83% | 0.83 | S | S | * | * | trans | 161.5 | 112.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 32 | L | 33.1 | Very low | 37.2 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | trans | 78 | 79.6 | 157.8 | -53.1 | 175.7 | 0 | 0 | 0 | 118.1 | ||||
| 33 | T | 37.1 | Very low | 37.2 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -133.4 | 98.8 | 148.3 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 34 | Y | 37.3 | Very low | 36.8 | Very low | 248 Ų | 248 | 139.2 Ų | 139.2 | 97% | 0.973 | 83% | 0.831 | S | S | * | * | trans | -135.1 | 100.9 | 155.1 | -100.4 | -86.4 | 0 | 0 | 0 | 106.6 | ||||
| 35 | G | 38.6 | Very low | 36.6 | Very low | 68 Ų | 68 | 140.5 Ų | 140.5 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | trans | 179 | 98 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 36 | L | 39.1 | Very low | 37.1 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 89% | 0.885 | 83% | 0.834 | S | S | * | * | trans | 68.1 | 81.6 | 157.7 | -58.8 | 155.9 | 0 | 0 | 0 | 114.9 | ||||
| 37 | S | 37.9 | Very low | 37.6 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | 30.7 | 93.4 | 73.5 | -164.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 38 | Q | 34.9 | Very low | 37.9 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | 165.1 | 102.3 | 117.3 | -86.9 | -166.5 | 30.3 | 0 | 0 | 109.6 | |||||
| 39 | S | 35.9 | Very low | 38.2 | Very low | 128 Ų | 128 | 146 Ų | 146 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | -166.7 | 103.9 | 132.9 | -86.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 40 | F | 39.3 | Very low | 38.6 | Very low | 174 Ų | 174 | 150.4 Ų | 150.4 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | -59.5 | 139.3 | 179.1 | -92.2 | -110.7 | 0 | 0 | 0 | 111.9 | T42 | F40-T42 PolarHBondContact O-N 3.13Š| ||
| 41 | Y | 38.2 | Very low | 39 | Very low | 212 Ų | 212 | 150.8 Ų | 150.8 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | 26.2 | 97.2 | 126.2 | -79.4 | -94.4 | 0 | 0 | 0 | 116.6 | |||||
| 42 | T | 39.3 | Very low | 39.5 | Very low | 147 Ų | 147 | 153.9 Ų | 153.9 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | 177.5 | 133.5 | 129.1 | 20.2 | 0 | 0 | 0 | 0 | 109.9 | F40 | F40-T42 PolarHBondContact O-N 3.13Š| |||
| 43 | G | 38.4 | Very low | 40.7 | Very low | 70 Ų | 70 | 147.4 Ų | 147.4 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 94.7 | 104.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 44 | K | 33.2 | Very low | 41.7 | Very low | 206 Ų | 206 | 145.4 Ų | 145.4 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | 44.9 | 97.6 | 139.5 | -61.3 | 178.8 | 178.2 | 177.7 | 0 | 116.4 | ||||
| 45 | S | 35.6 | Very low | 42.9 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | trans | -169 | 118.4 | 131.3 | -92.6 | 0 | 0 | 0 | 0 | 112.4 | T47 | S45-T47 VanDerWaalsContact CB-OG1 3.29Å; S45-T47 WeakPolarHBondContact CB-OG1 3.44Å; S45-T47 PolarHBondContact O-N 3.38Å | ||
| 46 | Y | 45.7 | Very low | 44.2 | Very low | 250 Ų | 250 | 143.1 Ų | 143.1 | 98% | 0.98 | 77% | 0.765 | S | S | * | * | trans | -68.7 | 51.9 | 166.1 | -78.4 | -95.2 | 0 | 0 | 0 | 111.2 | ||||
| 47 | T | 46.4 | Very low | 45.6 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | -116.3 | -4.4 | -166.6 | 53.2 | 0 | 0 | 0 | 0 | 115.4 | S45 | S45-T47 VanDerWaalsContact CB-OG1 3.29Å; S45-T47 WeakPolarHBondContact CB-OG1 3.44Å; S45-T47 PolarHBondContact O-N 3.38Å | ||
| 48 | S | 42.5 | Very low | 47.6 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -103.3 | 13.6 | -175.4 | 80.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 49 | L | 41.4 | Very low | 49.8 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -126.2 | 17.8 | -167.4 | -125.7 | 125.3 | 0 | 0 | 0 | 115.9 | ||
| 50 | F | 43.6 | Very low | 52.2 | Low | 199 Ų | 199 | 124.5 Ų | 124.5 | 87% | 0.873 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -125.5 | 12.7 | -174.5 | -118.8 | -88.8 | 0 | 0 | 0 | 116.5 | ||
| 51 | F | 43.6 | Very low | 54.5 | Low | 166 Ų | 166 | 120.8 Ų | 120.8 | 73% | 0.728 | 65% | 0.649 | S | S | * | * | trans | -127.7 | 47.8 | -176.9 | -109.9 | -95.9 | 0 | 0 | 0 | 113.3 | V53 W92 | F51-V53 HydrophobicContact CD1-CG2 3.37Å; F51-V53 HydrophobicContact CE1-CG2 3.71Å; F51-V53 HydrophobicContact CG-CG2 4.31Å; F51-V53 PolarHBondContact O-N 3.46Å; F51-V53 VanDerWaalsContact O-N 3.17Å; F51-W92 HydrophobicContact CD1-CH2 4.41Å; F51-W92 AromaticContact CE1-CH2 3.69Å; F51-W92 HydrophobicContact CE1-CH2 3.69Å; F51-W92 AromaticContact CE1-CZ3 3.96Å; F51-W92 HydrophobicContact CE1-CZ3 3.96Å; F51-W92 AromaticContact CZ-CH2 3.9Å; F51-W92 HydrophobicContact CZ-CH2 3.9Å; F51-W92 HydrophobicContact CZ-CZ3 4.09Å | ||
| 52 | C | 49.4 | Very low | 56.9 | Low | 129 Ų | 129 | 111 Ų | 111 | 87% | 0.872 | 61% | 0.612 | S | S | * | * | trans | -80.2 | 83 | 155.1 | -111.3 | 0 | 0 | 0 | 0 | 107.4 | D54 | C52-D54 PolarHBondContact O-N 3.13Š| ||
| 53 | V | 57.6 | Low | 59.3 | Low | 37 Ų | 37 | 109 Ų | 109 | 22% | 0.224 | 60% | 0.596 | C | S | . | * | trans | -78.1 | 107.6 | 168.3 | -159.8 | 0 | 0 | 0 | 0 | 106.2 | F51 F55 F58 W92 | F51-V53 HydrophobicContact CD1-CG2 3.37Å; F51-V53 HydrophobicContact CE1-CG2 3.71Å; F51-V53 HydrophobicContact CG-CG2 4.31Å; F51-V53 PolarHBondContact O-N 3.46Å; F51-V53 VanDerWaalsContact O-N 3.17Å; V53-F55 PolarHBondContact O-N 2.98Å; V53-F58 HydrophobicContact CB-CE2 4Å; V53-F58 HydrophobicContact CB-CZ 4.21Å; V53-F58 HydrophobicContact CG1-CE2 3.35Å; V53-F58 HydrophobicContact CG1-CZ 3.49Å; V53-F58 VanDerWaalsContact CG1-CZ 3.49Å; V53-W92 HydrophobicContact CB-CH2 4.28Å; V53-W92 HydrophobicContact CG1-CH2 3.81Å; V53-W92 HydrophobicContact CG1-CZ2 3.99Å; V53-W92 HydrophobicContact CG1-CZ3 4.38Å; V53-W92 HydrophobicContact CG2-CH2 3.46Å; V53-W92 VanDerWaalsContact CG2-CH2 3.46Å; V53-W92 HydrophobicContact CG2-CZ2 4.14Å; V53-W92 HydrophobicContact CG2-CZ3 4.28Å | ||
| 54 | D | 58.1 | Low | 61.7 | Low | 98 Ų | 98 | 106.9 Ų | 106.9 | 52% | 0.524 | 57% | 0.574 | S | S | . | * | trans | -52.9 | 104.9 | 175.3 | -71.7 | -41.1 | 0 | 0 | 0 | 109.3 | C52 S56 Q57 | C52-D54 PolarHBondContact O-N 3.13Å; D54-S56 PolarHBondContact O-N 2.81Å; D54-Q57 HydrophobicContact CB-CG 3.97Å; D54-Q57 WeakPolarHBondContact O-CB 3.46Å; D54-Q57 PolarHBondContact O-N 2.86Å | ||
| 55 | F | 62.2 | Low | 64.4 | Low | 157 Ų | 157 | 98.1 Ų | 98.1 | 69% | 0.689 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -57.5 | -26.5 | -177.2 | -171.1 | -102.7 | 0 | 0 | 0 | 111.7 | V53 Q57 F58 | V53-F55 PolarHBondContact O-N 2.98Å; F55-Q57 PolarHBondContact O-N 2.89Å; F55-Q57 VanDerWaalsContact O-N 3.16Å; F55-F58 HydrophobicContact CD2-CD2 4.22Å; F55-F58 WeakPolarHBondContact O-CD2 3.45Å; F55-F58 PolarHBondContact O-N 3.46Å; F55-F58 VanDerWaalsContact O-N 3.12Å |
| 56 | S | 65.5 | Low | 67.1 | Low | 111 Ų | 111 | 96.3 Ų | 96.3 | 78% | 0.776 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -59.8 | -22.6 | 174.2 | -170.4 | 0 | 0 | 0 | 0 | 113.8 | D54 F58 | D54-S56 PolarHBondContact O-N 2.81Å; S56-F58 VanDerWaalsContact C-N 3.33Å |
| 57 | Q | 69.5 | Low | 69.3 | Low | 84 Ų | 84 | 87.3 Ų | 87.3 | 39% | 0.393 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -82.7 | -9.7 | 179.4 | -61.7 | -171.8 | 6.8 | 0 | 0 | 113.4 | D54 F55 R89 P91 | D54-Q57 HydrophobicContact CB-CG 3.97Å; D54-Q57 WeakPolarHBondContact O-CB 3.46Å; D54-Q57 PolarHBondContact O-N 2.86Å; F55-Q57 PolarHBondContact O-N 2.89Å; F55-Q57 VanDerWaalsContact O-N 3.16Å; Q57-R89 PolarHBondContact O-NE 2.91Å; Q57-R89 PolarHBondContact O-NH2 3.22Å; Q57-P91 HydrophobicContact CB-CB 3.9Å; Q57-P91 HydrophobicContact CB-CG 4.09Å |
| 58 | F | 78.7 | Confident | 71.5 | Confident | 46 Ų | 46 | 81.9 Ų | 81.9 | 20% | 0.202 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -25.9 | 178.4 | -69.2 | -97.5 | 0 | 0 | 0 | 112.8 | V53 F55 S56 F88 R89 L90 | V53-F58 HydrophobicContact CB-CE2 4Å; V53-F58 HydrophobicContact CB-CZ 4.21Å; V53-F58 HydrophobicContact CG1-CE2 3.35Å; V53-F58 HydrophobicContact CG1-CZ 3.49Å; V53-F58 VanDerWaalsContact CG1-CZ 3.49Å; F55-F58 HydrophobicContact CD2-CD2 4.22Å; F55-F58 WeakPolarHBondContact O-CD2 3.45Å; F55-F58 PolarHBondContact O-N 3.46Å; F55-F58 VanDerWaalsContact O-N 3.12Å; S56-F58 VanDerWaalsContact C-N 3.33Å; F58-F88 CarbonylContact O-C 3.52Å; F58-F88 VanDerWaalsContact O-CA 3.28Å; F58-F88 WeakPolarHBondContact O-CA 3.46Å; F58-R89 VanDerWaalsContact CA-O 3.31Å; F58-R89 WeakPolarHBondContact CA-O 3.46Å; F58-R89 WeakPolarHBondContact CD1-O 3.49Å; F58-R89 PolarHBondContact O-N 3.12Å; F58-L90 HydrophobicContact CD1-CD2 4.31Å; F58-L90 HydrophobicContact CE1-CD2 3.94Å |
| 59 | G | 81.9 | Confident | 73.9 | Confident | 27 Ų | 27 | 76.3 Ų | 76.3 | 28% | 0.278 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 141.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 60 | F | 85.9 | Confident | 76.3 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 9% | 0.088 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 136.1 | 158.7 | 74.3 | -83.2 | 0 | 0 | 0 | 109.7 | V62 A68 I70 Y82 H87 R89 P96 | F60-V62 HydrophobicContact CD2-CG2 3.88Å; F60-V62 HydrophobicContact CE2-CG2 3.58Å; F60-A68 HydrophobicContact CE2-CB 3.74Å; F60-A68 HydrophobicContact CZ-CB 4.47Å; F60-I70 HydrophobicContact CE1-CD1 4.05Å; F60-I70 HydrophobicContact CZ-CD1 4.1Å; F60-I70 HydrophobicContact CZ-CG1 4.34Å; F60-Y82 HydrophobicContact CZ-CG 4.27Å; F60-H87 HydrophobicContact CD1-CB 4Å; F60-H87 WeakPolarHBondContact CD1-O 3.45Å; F60-H87 HydrophobicContact CD2-CB 4.47Å; F60-H87 HydrophobicContact CE1-CB 3.42Å; F60-H87 VanDerWaalsContact CE1-CB 3.42Å; F60-H87 HydrophobicContact CE2-CB 3.94Å; F60-H87 HydrophobicContact CZ-CB 3.39Å; F60-H87 PolarHBondContact N-O 2.99Å; F60-H87 PolarHBondContact O-N 3.48Å; F60-R89 HydrophobicContact CD1-CB 3.81Å; F60-R89 HydrophobicContact CD1-CG 3.87Å; F60-R89 HydrophobicContact CE1-CB 3.99Å; F60-P96 HydrophobicContact CB-CG 4.41Å; F60-P96 HydrophobicContact CD1-CB 4.48Å; F60-P96 HydrophobicContact CD2-CB 3.92Å; F60-P96 HydrophobicContact CD2-CG 4.37Å; F60-P96 HydrophobicContact CE2-CB 3.98Å; F60-P96 HydrophobicContact CG-CB 4.17Å; F60-P96 HydrophobicContact CG-CG 4.23Å; F60-P96 HydrophobicContact CZ-CB 4.27Å |
| 61 | S | 87.6 | Confident | 78.5 | Confident | 95 Ų | 95 | 63.7 Ų | 63.7 | 66% | 0.664 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133 | 176.7 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | G85 | S61-G85 WeakPolarHBondContact CA-O 3.45Å |
| 62 | V | 89.2 | Confident | 80.7 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.4 | 172.3 | -178 | 0 | 0 | 0 | 0 | 108.2 | F60 Q66 A68 E84 G85 | F60-V62 HydrophobicContact CD2-CG2 3.88Å; F60-V62 HydrophobicContact CE2-CG2 3.58Å; V62-Q66 HydrophobicContact CG1-CB 3.83Å; V62-Q66 WeakPolarHBondContact CG1-O 3.26Å; V62-A68 HydrophobicContact CG2-CB 3.57Å; V62-E84 WeakPolarHBondContact O-CA 3.45Å; V62-G85 PolarHBondContact N-O 3.39Å; V62-G85 PolarHBondContact O-N 3.35Å |
| 63 | D | 89.9 | Confident | 82.4 | Confident | 105 Ų | 105 | 57.7 Ų | 57.7 | 56% | 0.561 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 162.7 | -179.7 | -166.6 | 17.4 | 0 | 0 | 0 | 111.8 | G65 Q66 | D63-G65 PolarHBondContact O-N 2.92Å; D63-Q66 WeakPolarHBondContact O-CB 3.38Å; D63-Q66 PolarHBondContact O-N 3.02Å; D63-Q66 VanDerWaalsContact O-N 3.1Å |
| 64 | G | 88.8 | Confident | 83.6 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 27% | 0.268 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 136.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q66 R102 | G64-Q66 PolarHBondContact O-N 3.21Å; G64-R102 PolarHBondContact O-NH2 3.34Å |
| 65 | G | 88.2 | Confident | 84.8 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 22% | 0.216 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 9.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D63 V101 | D63-G65 PolarHBondContact O-N 2.92Å; G65-V101 WeakPolarHBondContact O-CG2 3.44Å; G65-V101 PolarHBondContact O-N 3.39Å |
| 66 | Q | 93.1 | Very high | 86 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 27% | 0.271 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 158.9 | 165.3 | -62.9 | 177.7 | -11.2 | 0 | 0 | 110.3 | V62 D63 G64 V98 Y99 | V62-Q66 HydrophobicContact CG1-CB 3.83Å; V62-Q66 WeakPolarHBondContact CG1-O 3.26Å; D63-Q66 WeakPolarHBondContact O-CB 3.38Å; D63-Q66 PolarHBondContact O-N 3.02Å; D63-Q66 VanDerWaalsContact O-N 3.1Å; G64-Q66 PolarHBondContact O-N 3.21Å; Q66-V98 HydrophobicContact CB-CG1 3.75Å; Q66-V98 HydrophobicContact CG-CG1 4.13Å; Q66-Y99 CarbonylContact C-O 3.59Å; Q66-Y99 WeakPolarHBondContact CA-O 3.34Å; Q66-Y99 WeakPolarHBondContact CB-O 3.4Å |
| 67 | R | 92.8 | Very high | 87.1 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 23% | 0.226 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 139 | 172.3 | -67.6 | -63.8 | -179.8 | -102.7 | 5.3 | 108.2 | I81 E84 Y99 V101 A132 L135 | R67-I81 HydrophobicContact CB-CG2 4.11Å; R67-I81 HydrophobicContact CG-CG2 4.43Å; R67-E84 IonicContact CZ-OE2 3.92Å; R67-E84 IonicContact NH1-OE2 3.85Å; R67-E84 PolarHBondContact NH1-OE2 2.86Å; R67-E84 IonicContact NH2-OE2 3.38Å; R67-Y99 PolarHBondContact N-O 3.32Å; R67-Y99 PolarHBondContact O-N 2.86Å; R67-V101 HydrophobicContact CB-CG1 3.97Å; R67-V101 HydrophobicContact CG-CG1 3.74Å; R67-V101 HydrophobicContact CG-CG2 4.03Å; R67-A132 HydrophobicContact CG-CB 4.45Å; R67-L135 HydrophobicContact CB-CD1 3.43Å; R67-L135 VanDerWaalsContact CB-CD1 3.43Å; R67-L135 HydrophobicContact CG-CD1 4.21Å |
| 68 | A | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 144.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F60 V62 Y82 I97 V98 | F60-A68 HydrophobicContact CE2-CB 3.74Å; F60-A68 HydrophobicContact CZ-CB 4.47Å; V62-A68 HydrophobicContact CG2-CB 3.57Å; A68-Y82 PolarHBondContact N-O 2.89Å; A68-Y82 VanDerWaalsContact N-O 3.09Å; A68-Y82 PolarHBondContact O-N 3.24Å; A68-I97 WeakPolarHBondContact CA-O 3.42Å; A68-V98 HydrophobicContact CB-CG2 4.33Å |
| 69 | I | 92.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 149.1 | 165.4 | 63.4 | 175.7 | 0 | 0 | 0 | 108.5 | V77 I81 P96 I97 Y99 L135 P136 Y139 | I69-V77 HydrophobicContact CD1-CG1 4.1Å; I69-I81 HydrophobicContact CG2-CG1 4.49Å; I69-P96 WeakPolarHBondContact O-CA 3.3Å; I69-I97 HydrophobicContact CD1-CB 4.35Å; I69-I97 HydrophobicContact CD1-CD1 4.31Å; I69-I97 HydrophobicContact CD1-CG2 4.49Å; I69-I97 HydrophobicContact CG1-CB 3.8Å; I69-I97 HydrophobicContact CG1-CD1 4.23Å; I69-I97 HydrophobicContact CG1-CG2 4.32Å; I69-I97 PolarHBondContact N-O 3.42Å; I69-I97 PolarHBondContact O-N 3.45Å; I69-Y99 HydrophobicContact CD1-CD2 4.35Å; I69-Y99 HydrophobicContact CD1-CE2 3.78Å; I69-Y99 HydrophobicContact CG1-CD2 4.46Å; I69-Y99 HydrophobicContact CG1-CE2 4.32Å; I69-L135 HydrophobicContact CG2-CB 3.79Å; I69-P136 HydrophobicContact CG2-CG 4.07Å; I69-Y139 HydrophobicContact CD1-CD1 3.86Å; I69-Y139 HydrophobicContact CD1-CD2 3.99Å; I69-Y139 HydrophobicContact CD1-CG 3.45Å; I69-Y139 VanDerWaalsContact CD1-CG 3.45Å |
| 70 | I | 90.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122.1 | 178.4 | -65.6 | -179 | 0 | 0 | 0 | 109.8 | F60 R78 Y82 Q94 | F60-I70 HydrophobicContact CE1-CD1 4.05Å; F60-I70 HydrophobicContact CZ-CD1 4.1Å; F60-I70 HydrophobicContact CZ-CG1 4.34Å; I70-R78 PolarHBondContact O-N 3.41Å; I70-Y82 HydrophobicContact CB-CE2 4.08Å; I70-Y82 HydrophobicContact CD1-CD2 3.88Å; I70-Y82 HydrophobicContact CD1-CE1 4.24Å; I70-Y82 HydrophobicContact CD1-CE2 3.22Å; I70-Y82 VanDerWaalsContact CD1-CZ 3.44Å; I70-Y82 HydrophobicContact CG1-CD2 3.82Å; I70-Y82 HydrophobicContact CG1-CE2 3.42Å; I70-Y82 VanDerWaalsContact CG1-CE2 3.42Å; I70-Q94 HydrophobicContact CG2-CB 3.64Å; I70-Q94 HydrophobicContact CG2-CG 3.77Å |
| 71 | Y | 90.8 | Very high | 89 | Confident | 90 Ų | 90 | 59 Ų | 59 | 35% | 0.353 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 116.3 | 165.7 | 177.2 | -99.4 | 0 | 0 | 0 | 109.9 | V77 Q94 Y95 | Y71-V77 HydrophobicContact CD2-CG2 3.87Å; Y71-Q94 WeakPolarHBondContact O-CA 3.47Å; Y71-Y95 HydrophobicContact CD1-CD2 4.29Å; Y71-Y95 PolarHBondContact N-O 3.08Å; Y71-Y95 PolarHBondContact O-N 2.91Å |
| 72 | S | 88.8 | Confident | 89.2 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.028 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128.8 | 173.4 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | L74 S75 G76 F93 | S72-L74 PolarHBondContact O-N 2.96Å; S72-L74 VanDerWaalsContact O-N 3.13Å; S72-L74 PolarHBondContact OG-N 3.49Å; S72-S75 PolarHBondContact O-N 3.45Å; S72-G76 WeakPolarHBondContact CB-O 3.38Å; S72-G76 PolarHBondContact N-O 3.24Å; S72-G76 VanDerWaalsContact O-CA 3.25Å; S72-G76 WeakPolarHBondContact O-CA 3.39Å; S72-G76 PolarHBondContact O-N 3.38Å; S72-F93 CarbonylContact C-O 3.53Å; S72-F93 VanDerWaalsContact CA-O 3.26Å; S72-F93 WeakPolarHBondContact CA-O 3.45Å |
| 73 | R | 84.9 | Confident | 89.2 | Confident | 164 Ų | 164 | 59 Ų | 59 | 62% | 0.619 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.6 | 174.8 | -74.2 | -173.4 | 178.5 | -171.2 | 1.7 | 113.4 | F93 Y95 | R73-F93 PolarHBondContact N-O 3.41Å; R73-Y95 HydrophobicContact CG-CD2 4.45Å; R73-Y95 HydrophobicContact CG-CE2 3.89Å; R73-Y95 VanDerWaalsContact CZ-OH 3.23Å; R73-Y95 PolarHBondContact NE-OH 3.48Å; R73-Y95 PolarHBondContact NH2-OH 3.2Å |
| 74 | L | 83.4 | Confident | 89.2 | Confident | 145 Ų | 145 | 59 Ų | 59 | 76% | 0.759 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -32.5 | -176.4 | -68.1 | 163.3 | 0 | 0 | 0 | 113.7 | S72 F93 | S72-L74 PolarHBondContact O-N 2.96Å; S72-L74 VanDerWaalsContact O-N 3.13Å; S72-L74 PolarHBondContact OG-N 3.49Å; L74-F93 HydrophobicContact CD1-CD1 3.89Å; L74-F93 HydrophobicContact CD1-CE1 4.2Å; L74-F93 HydrophobicContact CD1-CG 4.49Å; L74-F93 HydrophobicContact CG-CD1 4.21Å |
| 75 | S | 82.7 | Confident | 89.3 | Confident | 92 Ų | 92 | 59.3 Ų | 59.3 | 64% | 0.643 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 0.7 | -169.3 | -177.4 | 0 | 0 | 0 | 0 | 113.1 | S72 | S72-S75 PolarHBondContact O-N 3.45Š|
| 76 | G | 88.6 | Confident | 89.3 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 24% | 0.237 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.6 | -152 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S72 R78 | S72-G76 WeakPolarHBondContact CB-O 3.38Å; S72-G76 PolarHBondContact N-O 3.24Å; S72-G76 VanDerWaalsContact O-CA 3.25Å; S72-G76 WeakPolarHBondContact O-CA 3.39Å; S72-G76 PolarHBondContact O-N 3.38Å; G76-R78 PolarHBondContact O-N 3.48Å |
| 77 | V | 88.5 | Confident | 89.1 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 123.2 | -177.8 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | I69 Y71 P136 Y139 R140 | I69-V77 HydrophobicContact CD1-CG1 4.1Å; Y71-V77 HydrophobicContact CD2-CG2 3.87Å; V77-P136 HydrophobicContact CG1-CB 4.08Å; V77-Y139 HydrophobicContact CG1-CD1 4.23Å; V77-Y139 HydrophobicContact CG2-CD1 3.47Å; V77-Y139 VanDerWaalsContact CG2-CD1 3.47Å; V77-Y139 HydrophobicContact CG2-CE1 3.55Å; V77-R140 HydrophobicContact CB-CG 4.26Å; V77-R140 HydrophobicContact CG2-CG 4.05Å; V77-R140 PolarHBondContact O-NH2 2.89Å |
| 78 | R | 87.2 | Confident | 88.7 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 29% | 0.287 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 149.6 | 176 | -67.4 | -175 | 175.2 | -169.7 | -3.5 | 111.2 | I70 G76 E80 Q94 | I70-R78 PolarHBondContact O-N 3.41Å; G76-R78 PolarHBondContact O-N 3.48Å; R78-E80 PolarHBondContact O-N 3.44Å; R78-Q94 VanDerWaalsContact CZ-NE2 3.31Å; R78-Q94 VanDerWaalsContact NH2-NE2 3.18Å |
| 79 | P | 87.3 | Confident | 88.4 | Confident | 104 Ų | 104 | 68.9 Ų | 68.9 | 68% | 0.675 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -14.3 | 176.8 | 31.1 | -35.3 | 0 | 0 | 0 | 113.2 | ||
| 80 | E | 89.3 | Confident | 88 | Confident | 106 Ų | 106 | 73 Ų | 73 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 133.8 | 179.2 | -68.8 | 169.5 | -157.9 | 0 | 0 | 111.7 | R78 Y82 | R78-E80 PolarHBondContact O-N 3.44Å; E80-Y82 HydrophobicContact CB-CE2 4.11Å; E80-Y82 PolarHBondContact OE2-OH 3.38Å |
| 81 | I | 91.4 | Very high | 87.3 | Confident | 52 Ų | 52 | 73.5 Ų | 73.5 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.7 | 175.7 | -63.4 | 143.7 | 0 | 0 | 0 | 107.8 | R67 I69 A132 Q133 L135 P136 | R67-I81 HydrophobicContact CB-CG2 4.11Å; R67-I81 HydrophobicContact CG-CG2 4.43Å; I69-I81 HydrophobicContact CG2-CG1 4.49Å; I81-A132 WeakPolarHBondContact CD1-O 3.44Å; I81-Q133 VanDerWaalsContact CD1-O 3.29Å; I81-Q133 WeakPolarHBondContact CD1-O 3.16Å; I81-L135 HydrophobicContact CG2-CD1 4.23Å; I81-P136 HydrophobicContact CD1-CG 4.34Å; I81-P136 HydrophobicContact CG1-CG 3.94Å |
| 82 | Y | 91.7 | Very high | 86.9 | Confident | 36 Ų | 36 | 75.4 Ų | 75.4 | 14% | 0.141 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121.3 | -178.8 | -63.6 | -88.7 | 0 | 0 | 0 | 109.4 | F60 A68 I70 E80 H87 | F60-Y82 HydrophobicContact CZ-CG 4.27Å; A68-Y82 PolarHBondContact N-O 2.89Å; A68-Y82 VanDerWaalsContact N-O 3.09Å; A68-Y82 PolarHBondContact O-N 3.24Å; I70-Y82 HydrophobicContact CB-CE2 4.08Å; I70-Y82 HydrophobicContact CD1-CD2 3.88Å; I70-Y82 HydrophobicContact CD1-CE1 4.24Å; I70-Y82 HydrophobicContact CD1-CE2 3.22Å; I70-Y82 VanDerWaalsContact CD1-CZ 3.44Å; I70-Y82 HydrophobicContact CG1-CD2 3.82Å; I70-Y82 HydrophobicContact CG1-CE2 3.42Å; I70-Y82 VanDerWaalsContact CG1-CE2 3.42Å; E80-Y82 HydrophobicContact CB-CE2 4.11Å; E80-Y82 PolarHBondContact OE2-OH 3.38Å; Y82-H87 HydrophobicContact CD1-CB 4.26Å; Y82-H87 AromaticContact CD1-CG 3.83Å; Y82-H87 AromaticContact CD1-ND1 3.57Å |
| 83 | P | 90.8 | Very high | 86.7 | Confident | 65 Ų | 65 | 79.6 Ų | 79.6 | 42% | 0.422 | 40% | 0.402 | S | S | . | . | trans | -69.3 | 178.2 | 176.6 | 30.4 | -35.1 | 0 | 0 | 0 | 111.7 | H87 | P83-H87 PolarHBondContact O-CD2 3.28Å; P83-H87 PolarHBondContact O-NE2 3.19Å | ||
| 84 | E | 89.8 | Confident | 86.9 | Confident | 104 Ų | 104 | 72.5 Ų | 72.5 | 49% | 0.486 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -54.2 | 145 | 168.6 | 60.8 | -146.9 | -147.1 | 0 | 0 | 111.9 | V62 R67 | V62-E84 WeakPolarHBondContact O-CA 3.45Å; R67-E84 IonicContact CZ-OE2 3.92Å; R67-E84 IonicContact NH1-OE2 3.85Å; R67-E84 PolarHBondContact NH1-OE2 2.86Å; R67-E84 IonicContact NH2-OE2 3.38Å |
| 85 | G | 89.8 | Confident | 87.2 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 35% | 0.351 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.9 | -177.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S61 V62 H87 | S61-G85 WeakPolarHBondContact CA-O 3.45Å; V62-G85 PolarHBondContact N-O 3.39Å; V62-G85 PolarHBondContact O-N 3.35Å; G85-H87 PolarHBondContact O-CD2 2.9Å |
| 86 | L | 88.6 | Confident | 87.6 | Confident | 117 Ų | 117 | 67.1 Ų | 67.1 | 61% | 0.613 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 123.6 | 179.3 | -176.5 | 71.1 | 0 | 0 | 0 | 110.3 | ||
| 87 | H | 88.8 | Confident | 87.7 | Confident | 34 Ų | 34 | 67 Ų | 67 | 16% | 0.157 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 155.3 | 178.3 | -63.9 | -71.8 | 0 | 0 | 0 | 110.8 | F60 Y82 P83 G85 | F60-H87 HydrophobicContact CD1-CB 4Å; F60-H87 WeakPolarHBondContact CD1-O 3.45Å; F60-H87 HydrophobicContact CD2-CB 4.47Å; F60-H87 HydrophobicContact CE1-CB 3.42Å; F60-H87 VanDerWaalsContact CE1-CB 3.42Å; F60-H87 HydrophobicContact CE2-CB 3.94Å; F60-H87 HydrophobicContact CZ-CB 3.39Å; F60-H87 PolarHBondContact N-O 2.99Å; F60-H87 PolarHBondContact O-N 3.48Å; Y82-H87 HydrophobicContact CD1-CB 4.26Å; Y82-H87 AromaticContact CD1-CG 3.83Å; Y82-H87 AromaticContact CD1-ND1 3.57Å; P83-H87 PolarHBondContact O-CD2 3.28Å; P83-H87 PolarHBondContact O-NE2 3.19Å; G85-H87 PolarHBondContact O-CD2 2.9Å |
| 88 | F | 84.9 | Confident | 87.8 | Confident | 138 Ų | 138 | 69.6 Ų | 69.6 | 61% | 0.605 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 139.3 | 178.3 | -65.3 | -79.8 | 0 | 0 | 0 | 111 | F58 | F58-F88 CarbonylContact O-C 3.52Å; F58-F88 VanDerWaalsContact O-CA 3.28Å; F58-F88 WeakPolarHBondContact O-CA 3.46Å |
| 89 | R | 84.7 | Confident | 88.1 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | trans | -132.3 | 155.1 | 175.8 | 66.1 | 175.6 | -178.1 | 95.7 | 6.4 | 110.9 | Q57 F58 F60 P91 Q94 | Q57-R89 PolarHBondContact O-NE 2.91Å; Q57-R89 PolarHBondContact O-NH2 3.22Å; F58-R89 VanDerWaalsContact CA-O 3.31Å; F58-R89 WeakPolarHBondContact CA-O 3.46Å; F58-R89 WeakPolarHBondContact CD1-O 3.49Å; F58-R89 PolarHBondContact O-N 3.12Å; F60-R89 HydrophobicContact CD1-CB 3.81Å; F60-R89 HydrophobicContact CD1-CG 3.87Å; F60-R89 HydrophobicContact CE1-CB 3.99Å; R89-P91 VanDerWaalsContact NH1-CA 3.35Å; R89-P91 WeakPolarHBondContact O-CD 3.35Å; R89-Q94 VanDerWaalsContact CA-OE1 3.29Å; R89-Q94 HydrophobicContact CB-CB 4.26Å | ||
| 90 | L | 85.3 | Confident | 88.3 | Confident | 88 Ų | 88 | 63 Ų | 63 | 46% | 0.461 | 31% | 0.31 | S | S | . | . | trans | -91.7 | 110.1 | 169.1 | -67.4 | 170.1 | 0 | 0 | 0 | 109.7 | F58 W92 F93 Q94 | F58-L90 HydrophobicContact CD1-CD2 4.31Å; F58-L90 HydrophobicContact CE1-CD2 3.94Å; L90-W92 VanDerWaalsContact C-N 3.27Å; L90-W92 PolarHBondContact O-N 3.49Å; L90-W92 VanDerWaalsContact O-N 3.09Å; L90-F93 PolarHBondContact O-N 2.86Å; L90-F93 VanDerWaalsContact O-N 3.16Å; L90-Q94 HydrophobicContact CB-CG 4.31Å; L90-Q94 WeakPolarHBondContact O-CB 3.27Å; L90-Q94 PolarHBondContact O-N 2.99Å | ||
| 91 | P | 76.7 | Confident | 88.4 | Confident | 10 Ų | 10 | 59 Ų | 59 | 7% | 0.065 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.9 | -164.1 | 21 | -32.5 | 0 | 0 | 0 | 115.6 | Q57 R89 | Q57-P91 HydrophobicContact CB-CB 3.9Å; Q57-P91 HydrophobicContact CB-CG 4.09Å; R89-P91 VanDerWaalsContact NH1-CA 3.35Å; R89-P91 WeakPolarHBondContact O-CD 3.35Å |
| 92 | W | 81.5 | Confident | 88.5 | Confident | 130 Ų | 130 | 63 Ų | 63 | 49% | 0.492 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -32.7 | 179.5 | -60.9 | -51.4 | 0 | 0 | 0 | 114.1 | F51 V53 L90 Y95 | F51-W92 HydrophobicContact CD1-CH2 4.41Å; F51-W92 AromaticContact CE1-CH2 3.69Å; F51-W92 HydrophobicContact CE1-CH2 3.69Å; F51-W92 AromaticContact CE1-CZ3 3.96Å; F51-W92 HydrophobicContact CE1-CZ3 3.96Å; F51-W92 AromaticContact CZ-CH2 3.9Å; F51-W92 HydrophobicContact CZ-CH2 3.9Å; F51-W92 HydrophobicContact CZ-CZ3 4.09Å; V53-W92 HydrophobicContact CB-CH2 4.28Å; V53-W92 HydrophobicContact CG1-CH2 3.81Å; V53-W92 HydrophobicContact CG1-CZ2 3.99Å; V53-W92 HydrophobicContact CG1-CZ3 4.38Å; V53-W92 HydrophobicContact CG2-CH2 3.46Å; V53-W92 VanDerWaalsContact CG2-CH2 3.46Å; V53-W92 HydrophobicContact CG2-CZ2 4.14Å; V53-W92 HydrophobicContact CG2-CZ3 4.28Å; L90-W92 VanDerWaalsContact C-N 3.27Å; L90-W92 PolarHBondContact O-N 3.49Å; L90-W92 VanDerWaalsContact O-N 3.09Å; W92-Y95 PolarHBondContact O-OH 3Å |
| 93 | F | 85.8 | Confident | 88.6 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 41% | 0.408 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -26.8 | -171.3 | -61.9 | -75.3 | 0 | 0 | 0 | 113.3 | S72 R73 L74 L90 | S72-F93 CarbonylContact C-O 3.53Å; S72-F93 VanDerWaalsContact CA-O 3.26Å; S72-F93 WeakPolarHBondContact CA-O 3.45Å; R73-F93 PolarHBondContact N-O 3.41Å; L74-F93 HydrophobicContact CD1-CD1 3.89Å; L74-F93 HydrophobicContact CD1-CE1 4.2Å; L74-F93 HydrophobicContact CD1-CG 4.49Å; L74-F93 HydrophobicContact CG-CD1 4.21Å; L90-F93 PolarHBondContact O-N 2.86Å; L90-F93 VanDerWaalsContact O-N 3.16Å |
| 94 | Q | 88.6 | Confident | 88.8 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.065 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.2 | -170.5 | -67.9 | 176.8 | -7.2 | 0 | 0 | 111.7 | I70 Y71 R78 R89 L90 | I70-Q94 HydrophobicContact CG2-CB 3.64Å; I70-Q94 HydrophobicContact CG2-CG 3.77Å; Y71-Q94 WeakPolarHBondContact O-CA 3.47Å; R78-Q94 VanDerWaalsContact CZ-NE2 3.31Å; R78-Q94 VanDerWaalsContact NH2-NE2 3.18Å; R89-Q94 VanDerWaalsContact CA-OE1 3.29Å; R89-Q94 HydrophobicContact CB-CB 4.26Å; L90-Q94 HydrophobicContact CB-CG 4.31Å; L90-Q94 WeakPolarHBondContact O-CB 3.27Å; L90-Q94 PolarHBondContact O-N 2.99Å |
| 95 | Y | 89.4 | Confident | 89 | Confident | 84 Ų | 84 | 64.7 Ų | 64.7 | 33% | 0.329 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 114.2 | 178.2 | -62.8 | -92.4 | 0 | 0 | 0 | 108.8 | Y71 R73 W92 | Y71-Y95 HydrophobicContact CD1-CD2 4.29Å; Y71-Y95 PolarHBondContact N-O 3.08Å; Y71-Y95 PolarHBondContact O-N 2.91Å; R73-Y95 HydrophobicContact CG-CD2 4.45Å; R73-Y95 HydrophobicContact CG-CE2 3.89Å; R73-Y95 VanDerWaalsContact CZ-OH 3.23Å; R73-Y95 PolarHBondContact NE-OH 3.48Å; R73-Y95 PolarHBondContact NH2-OH 3.2Å; W92-Y95 PolarHBondContact O-OH 3Å |
| 96 | P | 90.2 | Very high | 89.2 | Confident | 41 Ų | 41 | 64.9 Ų | 64.9 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 130.1 | 175.9 | 31.1 | -33.1 | 0 | 0 | 0 | 109.6 | F60 I69 | F60-P96 HydrophobicContact CB-CG 4.41Å; F60-P96 HydrophobicContact CD1-CB 4.48Å; F60-P96 HydrophobicContact CD2-CB 3.92Å; F60-P96 HydrophobicContact CD2-CG 4.37Å; F60-P96 HydrophobicContact CE2-CB 3.98Å; F60-P96 HydrophobicContact CG-CB 4.17Å; F60-P96 HydrophobicContact CG-CG 4.23Å; F60-P96 HydrophobicContact CZ-CB 4.27Å; I69-P96 WeakPolarHBondContact O-CA 3.3Å |
| 97 | I | 91 | Very high | 89.4 | Confident | 21 Ų | 21 | 67.6 Ų | 67.6 | 11% | 0.108 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 116.4 | 171.4 | -61.5 | 142.5 | 0 | 0 | 0 | 106.5 | A68 I69 Y99 Y139 I144 | A68-I97 WeakPolarHBondContact CA-O 3.42Å; I69-I97 HydrophobicContact CD1-CB 4.35Å; I69-I97 HydrophobicContact CD1-CD1 4.31Å; I69-I97 HydrophobicContact CD1-CG2 4.49Å; I69-I97 HydrophobicContact CG1-CB 3.8Å; I69-I97 HydrophobicContact CG1-CD1 4.23Å; I69-I97 HydrophobicContact CG1-CG2 4.32Å; I69-I97 PolarHBondContact N-O 3.42Å; I69-I97 PolarHBondContact O-N 3.45Å; I97-Y99 HydrophobicContact CG2-CD2 4.15Å; I97-Y99 HydrophobicContact CG2-CE2 3.8Å; I97-Y139 HydrophobicContact CD1-CD1 4.34Å; I97-Y139 HydrophobicContact CD1-CD2 4.16Å; I97-Y139 HydrophobicContact CD1-CE1 3.73Å; I97-Y139 HydrophobicContact CD1-CE2 3.53Å; I97-Y139 WeakPolarHBondContact CD1-OH 3.24Å; I97-Y139 HydrophobicContact CG1-CE2 4.2Å; I97-Y139 HydrophobicContact CG2-CD2 4.12Å; I97-Y139 HydrophobicContact CG2-CE2 4.01Å; I97-I144 HydrophobicContact CG2-CD1 4.35Å; I97-I144 HydrophobicContact CG2-CG1 4.24Å |
| 98 | V | 91.6 | Very high | 89.7 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 39% | 0.394 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123 | -175.6 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | Q66 A68 | Q66-V98 HydrophobicContact CB-CG1 3.75Å; Q66-V98 HydrophobicContact CG-CG1 4.13Å; A68-V98 HydrophobicContact CB-CG2 4.33Å |
| 99 | Y | 92.2 | Very high | 90.1 | Very high | 7 Ų | 7 | 63.1 Ų | 63.1 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.1 | 173.4 | -85.5 | -91.1 | 0 | 0 | 0 | 110.4 | Q66 R67 I69 I97 L135 Y139 G143 W146 | Q66-Y99 CarbonylContact C-O 3.59Å; Q66-Y99 WeakPolarHBondContact CA-O 3.34Å; Q66-Y99 WeakPolarHBondContact CB-O 3.4Å; R67-Y99 PolarHBondContact N-O 3.32Å; R67-Y99 PolarHBondContact O-N 2.86Å; I69-Y99 HydrophobicContact CD1-CD2 4.35Å; I69-Y99 HydrophobicContact CD1-CE2 3.78Å; I69-Y99 HydrophobicContact CG1-CD2 4.46Å; I69-Y99 HydrophobicContact CG1-CE2 4.32Å; I97-Y99 HydrophobicContact CG2-CD2 4.15Å; I97-Y99 HydrophobicContact CG2-CE2 3.8Å; Y99-L135 HydrophobicContact CD1-CD2 4.12Å; Y99-L135 HydrophobicContact CD2-CD2 4.37Å; Y99-L135 HydrophobicContact CG-CD2 3.91Å; Y99-Y139 HydrophobicContact CE2-CD2 4.03Å; Y99-Y139 HydrophobicContact CE2-CG 4.43Å; Y99-Y139 WeakPolarHBondContact OH-CA 3.35Å; Y99-Y139 WeakPolarHBondContact OH-CB 3.33Å; Y99-Y139 VanDerWaalsContact OH-CD2 3.26Å; Y99-Y139 WeakPolarHBondContact OH-CD2 3.49Å; Y99-G143 VanDerWaalsContact OH-C 3.29Å; Y99-G143 PolarHBondContact OH-O 3.42Å; Y99-W146 AromaticContact CE1-CD1 3.7Å |
| 100 | D | 92 | Very high | 90.4 | Very high | 33 Ų | 33 | 61 Ų | 61 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 118.6 | 165.2 | -172.1 | -0.9 | 0 | 0 | 0 | 108.9 | R102 R104 | D100-R102 WeakPolarHBondContact OD1-CB 3.48Å; D100-R102 WeakPolarHBondContact OD1-CD 3.31Å; D100-R102 WeakPolarHBondContact OD1-CG 3.45Å; D100-R102 PolarHBondContact OD1-N 2.91Å; D100-R104 IonicContact OD2-CZ 3.99Å; D100-R104 VanDerWaalsContact OD2-CZ 3.3Å; D100-R104 IonicContact OD2-NE 3.68Å; D100-R104 PolarHBondContact OD2-NE 3.5Å; D100-R104 IonicContact OD2-NH2 2.67Å; D100-R104 PolarHBondContact OD2-NH2 3.34Å |
| 101 | V | 92.1 | Very high | 90.8 | Very high | 23 Ų | 23 | 60.9 Ų | 60.9 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | trans | -96.8 | 6.9 | 179.6 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | G65 R67 P130 A132 L135 | G65-V101 WeakPolarHBondContact O-CG2 3.44Å; G65-V101 PolarHBondContact O-N 3.39Å; R67-V101 HydrophobicContact CB-CG1 3.97Å; R67-V101 HydrophobicContact CG-CG1 3.74Å; R67-V101 HydrophobicContact CG-CG2 4.03Å; V101-P130 HydrophobicContact CG1-CG 4.36Å; V101-A132 HydrophobicContact CG1-CB 4.37Å; V101-L135 HydrophobicContact CG1-CD1 4.11Å | ||
| 102 | R | 93.6 | Very high | 91.6 | Very high | 135 Ų | 135 | 60.5 Ų | 60.5 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -75.2 | 152.1 | 174.7 | -59.2 | 171.1 | -174.3 | -171.2 | 3.7 | 110.7 | G64 D100 R104 | G64-R102 PolarHBondContact O-NH2 3.34Å; D100-R102 WeakPolarHBondContact OD1-CB 3.48Å; D100-R102 WeakPolarHBondContact OD1-CD 3.31Å; D100-R102 WeakPolarHBondContact OD1-CG 3.45Å; D100-R102 PolarHBondContact OD1-N 2.91Å; R102-R104 PolarHBondContact O-N 2.86Å |
| 103 | A | 94.2 | Very high | 92.2 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | trans | -66.5 | 124.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L127 D198 | A103-L127 HydrophobicContact CB-CD2 4.47Å; A103-D198 VanDerWaalsContact CB-OD2 3.29Å; A103-D198 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 104 | R | 93.7 | Very high | 92.6 | Very high | 108 Ų | 108 | 51.6 Ų | 51.6 | 41% | 0.408 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134.4 | 177.1 | -68.1 | -179 | 176 | -171.2 | -4.8 | 110.4 | D100 R102 H106 S128 | D100-R104 IonicContact OD2-CZ 3.99Å; D100-R104 VanDerWaalsContact OD2-CZ 3.3Å; D100-R104 IonicContact OD2-NE 3.68Å; D100-R104 PolarHBondContact OD2-NE 3.5Å; D100-R104 IonicContact OD2-NH2 2.67Å; D100-R104 PolarHBondContact OD2-NH2 3.34Å; R102-R104 PolarHBondContact O-N 2.86Å; R104-H106 PolarHBondContact O-CD2 3.3Å; R104-S128 PolarHBondContact N-O 3.29Å; R104-S128 PolarHBondContact O-N 3.04Å |
| 105 | P | 94.5 | Very high | 92.9 | Very high | 88 Ų | 88 | 57.3 Ų | 57.3 | 57% | 0.571 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.6 | 176.8 | 31.5 | -31.8 | 0 | 0 | 0 | 110.8 | V126 L127 | P105-V126 CarbonylContact C-O 3.46Å; P105-V126 WeakPolarHBondContact CA-O 3.1Å; P105-L127 HydrophobicContact CB-CD2 3.88Å |
| 106 | H | 93.6 | Very high | 93.1 | Very high | 38 Ų | 38 | 56 Ų | 56 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133.1 | 172.7 | -61.8 | -85.5 | 0 | 0 | 0 | 109.7 | R104 R125 V126 S128 D147 L151 | R104-H106 PolarHBondContact O-CD2 3.3Å; H106-R125 WeakPolarHBondContact O-CA 3.42Å; H106-V126 PolarHBondContact N-O 3.49Å; H106-V126 PolarHBondContact O-N 2.87Å; H106-S128 PolarHBondContact CD2-OG 3.33Å; H106-S128 VanDerWaalsContact CD2-OG 3.31Å; H106-D147 IonicContact CE1-OD2 3.02Å; H106-D147 PolarHBondContact CE1-OD2 3.31Å; H106-D147 IonicContact NE2-OD2 3.41Å; H106-D147 PolarHBondContact NE2-OD2 3.22Å; H106-L151 HydrophobicContact CB-CD1 4.35Å |
| 107 | K | 94.2 | Very high | 93.2 | Very high | 174 Ų | 174 | 61.6 Ų | 61.6 | 76% | 0.757 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.4 | 172.9 | -67.9 | -176.9 | -178.2 | 178.5 | 0 | 108.6 | L124 | K107-L124 CarbonylContact C-O 3.58Å; K107-L124 WeakPolarHBondContact CA-O 3.44Å |
| 108 | I | 93.7 | Very high | 93.3 | Very high | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.092 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123.2 | -178.3 | -60.7 | 167.1 | 0 | 0 | 0 | 107.5 | S123 L124 L151 C155 | I108-S123 WeakPolarHBondContact O-CA 3.47Å; I108-L124 PolarHBondContact N-O 3.36Å; I108-L124 PolarHBondContact O-N 3.27Å; I108-L151 HydrophobicContact CD1-CB 3.75Å; I108-C155 HydrophobicContact CD1-CB 4.06Å; I108-C155 HydrophobicContact CG2-CB 4.09Å |
| 109 | S | 93.4 | Very high | 93.3 | Very high | 60 Ų | 60 | 66.4 Ų | 66.4 | 42% | 0.42 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135.4 | 175 | -158 | 0 | 0 | 0 | 0 | 109.8 | N121 I122 S123 | S109-N121 PolarHBondContact OG-OD1 3.44Å; S109-I122 WeakPolarHBondContact CA-O 3.36Å; S109-S123 PolarHBondContact OG-OG 2.93Å; S109-S123 VanDerWaalsContact OG-OG 3.05Å |
| 110 | S | 92.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 66.1 Ų | 66.1 | 4% | 0.035 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 122.6 | 179.4 | -158.5 | 0 | 0 | 0 | 0 | 111.4 | T112 I122 N156 | S110-T112 PolarHBondContact O-N 3.49Å; S110-I122 PolarHBondContact N-O 2.9Å; S110-I122 PolarHBondContact O-N 3.03Å; S110-N156 WeakPolarHBondContact CB-OD1 3.36Å; S110-N156 PolarHBondContact OG-OD1 2.87Å |
| 111 | P | 93.1 | Very high | 93.5 | Very high | 85 Ų | 85 | 67.6 Ų | 67.6 | 55% | 0.552 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 122.9 | 167.5 | 30.2 | -31.8 | 0 | 0 | 0 | 109.5 | M119 | P111-M119 HydrophobicContact CB-CE 4.13Å |
| 112 | T | 93.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.018 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 143.4 | -174.8 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | S110 V120 K160 V163 | S110-T112 PolarHBondContact O-N 3.49Å; T112-V120 PolarHBondContact N-O 3.26Å; T112-V120 PolarHBondContact O-N 3.36Å; T112-V120 VanDerWaalsContact O-O 3.1Å; T112-K160 HydrophobicContact CG2-CB 4.35Å; T112-K160 HydrophobicContact CG2-CG 3.98Å; T112-V163 HydrophobicContact CG2-CB 3.59Å; T112-V163 HydrophobicContact CG2-CG1 3.72Å; T112-V163 HydrophobicContact CG2-CG2 4.15Å |
| 113 | G | 93.2 | Very high | 93.7 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 32% | 0.32 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 134.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q118 | G113-Q118 WeakPolarHBondContact CA-O 3.49Å |
| 114 | S | 94.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 59 Ų | 59 | 4% | 0.035 | 31% | 0.309 | C | S | . | . | trans | -80.8 | 174 | 170.5 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | D116 L117 Q118 | S114-D116 WeakPolarHBondContact CB-OD1 3.21Å; S114-D116 PolarHBondContact O-N 2.87Å; S114-D116 PolarHBondContact OG-OD1 3.32Å; S114-L117 PolarHBondContact O-N 3.13Å; S114-Q118 PolarHBondContact N-O 3.37Å; S114-Q118 WeakPolarHBondContact OG-CB 3.26Å; S114-Q118 PolarHBondContact OG-N 3.16Å; S114-Q118 VanDerWaalsContact OG-N 3.13Å; S114-Q118 PolarHBondContact OG-O 3.16Å | ||
| 115 | K | 95.2 | Very high | 93.8 | Very high | 134 Ų | 134 | 57.2 Ų | 57.2 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.5 | 177.3 | -176.5 | 173.8 | 176.4 | 179.7 | 0 | 113.7 | L117 A164 F166 N167 | K115-L117 VanDerWaalsContact C-N 3.27Å; K115-L117 PolarHBondContact O-N 3.39Å; K115-A164 WeakPolarHBondContact CA-O 3.42Å; K115-A164 VanDerWaalsContact CB-O 3.32Å; K115-A164 WeakPolarHBondContact CB-O 3.39Å; K115-F166 VanDerWaalsContact CB-O 3.23Å; K115-F166 WeakPolarHBondContact CB-O 3.45Å; K115-F166 PolarHBondContact N-O 3.29Å; K115-N167 WeakPolarHBondContact CB-OD1 3.39Å; K115-N167 WeakPolarHBondContact CD-OD1 3.27Å |
| 116 | D | 93.7 | Very high | 93.8 | Very high | 56 Ų | 56 | 53 Ų | 53 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 19.2 | 177.2 | 56.5 | -30.1 | 0 | 0 | 0 | 113.4 | S114 Q118 A168 | S114-D116 WeakPolarHBondContact CB-OD1 3.21Å; S114-D116 PolarHBondContact O-N 2.87Å; S114-D116 PolarHBondContact OG-OD1 3.32Å; D116-Q118 PolarHBondContact O-N 3.49Å; D116-A168 PolarHBondContact OD1-N 3.01Å |
| 117 | L | 92.2 | Very high | 93.9 | Very high | 158 Ų | 158 | 53 Ų | 53 | 83% | 0.827 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 57.7 | 27.4 | 178.6 | -56.7 | 175.3 | 0 | 0 | 0 | 113.7 | S114 K115 | S114-L117 PolarHBondContact O-N 3.13Å; K115-L117 VanDerWaalsContact C-N 3.27Å; K115-L117 PolarHBondContact O-N 3.39Å |
| 118 | Q | 93.1 | Very high | 93.9 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 34% | 0.336 | 24% | 0.241 | S | C | . | . | trans | -89.9 | 139.7 | 173.1 | -61.7 | -60.8 | -42.8 | 0 | 0 | 110.1 | G113 S114 D116 V120 A168 Y211 | G113-Q118 WeakPolarHBondContact CA-O 3.49Å; S114-Q118 PolarHBondContact N-O 3.37Å; S114-Q118 WeakPolarHBondContact OG-CB 3.26Å; S114-Q118 PolarHBondContact OG-N 3.16Å; S114-Q118 VanDerWaalsContact OG-N 3.13Å; S114-Q118 PolarHBondContact OG-O 3.16Å; D116-Q118 PolarHBondContact O-N 3.49Å; Q118-V120 PolarHBondContact O-N 2.91Å; Q118-A168 HydrophobicContact CB-CB 4.18Å; Q118-A168 HydrophobicContact CG-CB 4.42Å; Q118-Y211 HydrophobicContact CG-CD2 3.91Å; Q118-Y211 HydrophobicContact CG-CE2 4.06Å | ||
| 119 | M | 92.8 | Very high | 94 | Very high | 115 Ų | 115 | 47.7 Ų | 47.7 | 57% | 0.567 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 123.1 | 173.9 | -68 | -57.5 | -61.4 | 0 | 0 | 109.9 | P111 | P111-M119 HydrophobicContact CB-CE 4.13Å |
| 120 | V | 93.4 | Very high | 94 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.1 | 178.6 | -169.1 | 0 | 0 | 0 | 0 | 108.4 | T112 Q118 I122 L171 L205 S206 F207 | T112-V120 PolarHBondContact N-O 3.26Å; T112-V120 PolarHBondContact O-N 3.36Å; T112-V120 VanDerWaalsContact O-O 3.1Å; Q118-V120 PolarHBondContact O-N 2.91Å; V120-I122 HydrophobicContact CB-CG1 4.4Å; V120-I122 HydrophobicContact CG1-CD1 4.13Å; V120-I122 HydrophobicContact CG1-CG1 3.71Å; V120-L171 HydrophobicContact CB-CD1 4.46Å; V120-L171 HydrophobicContact CG1-CD1 4.12Å; V120-L171 HydrophobicContact CG2-CD1 4.02Å; V120-L205 HydrophobicContact CG1-CD1 4.13Å; V120-L205 HydrophobicContact CG1-CG 4.03Å; V120-S206 WeakPolarHBondContact CA-O 3.47Å; V120-S206 WeakPolarHBondContact CG1-O 3.47Å; V120-F207 HydrophobicContact CB-CD1 4.46Å; V120-F207 HydrophobicContact CG1-CD1 4.1Å; V120-F207 HydrophobicContact CG1-CE1 3.91Å; V120-F207 HydrophobicContact CG2-CD1 3.83Å; V120-F207 HydrophobicContact CG2-CE1 3.82Å |
| 121 | N | 94.2 | Very high | 94.1 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 35% | 0.348 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 115.7 | 172.2 | -179.2 | 25.5 | 0 | 0 | 0 | 109.1 | S109 S206 | S109-N121 PolarHBondContact OG-OD1 3.44Å; N121-S206 WeakPolarHBondContact CB-OG 3.33Å; N121-S206 PolarHBondContact N-O 3.05Å; N121-S206 PolarHBondContact O-N 3.08Å; N121-S206 PolarHBondContact O-OG 3.31Å |
| 122 | I | 94.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.8 | -174.9 | -56.1 | 178.6 | 0 | 0 | 0 | 108.2 | S109 S110 V120 L124 L159 V163 I202 L205 | S109-I122 WeakPolarHBondContact CA-O 3.36Å; S110-I122 PolarHBondContact N-O 2.9Å; S110-I122 PolarHBondContact O-N 3.03Å; V120-I122 HydrophobicContact CB-CG1 4.4Å; V120-I122 HydrophobicContact CG1-CD1 4.13Å; V120-I122 HydrophobicContact CG1-CG1 3.71Å; I122-L124 HydrophobicContact CG2-CD2 4.17Å; I122-L124 HydrophobicContact CG2-CG 4.49Å; I122-L159 HydrophobicContact CB-CD2 4.46Å; I122-L159 HydrophobicContact CG2-CD2 3.99Å; I122-V163 HydrophobicContact CD1-CB 4.38Å; I122-V163 HydrophobicContact CD1-CG1 4.11Å; I122-V163 HydrophobicContact CD1-CG2 3.34Å; I122-I202 HydrophobicContact CG2-CG2 4.07Å; I122-L205 HydrophobicContact CD1-CD1 4.05Å; I122-L205 HydrophobicContact CG1-CD1 3.86Å |
| 123 | S | 94.8 | Very high | 94 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 126.1 | 169.8 | -71.7 | 0 | 0 | 0 | 0 | 110.2 | I108 S109 I202 T203 E204 | I108-S123 WeakPolarHBondContact O-CA 3.47Å; S109-S123 PolarHBondContact OG-OG 2.93Å; S109-S123 VanDerWaalsContact OG-OG 3.05Å; S123-I202 CarbonylContact O-C 3.58Å; S123-T203 WeakPolarHBondContact CB-OG1 3.5Å; S123-T203 PolarHBondContact O-N 2.91Å; S123-T203 PolarHBondContact O-OG1 2.77Å; S123-E204 PolarHBondContact N-O 3.35Å |
| 124 | L | 95 | Very high | 94 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 139.5 | 173.4 | -65.6 | -173.9 | 0 | 0 | 0 | 110.3 | K107 I108 I122 V126 L159 I182 L186 S201 I202 | K107-L124 CarbonylContact C-O 3.58Å; K107-L124 WeakPolarHBondContact CA-O 3.44Å; I108-L124 PolarHBondContact N-O 3.36Å; I108-L124 PolarHBondContact O-N 3.27Å; I122-L124 HydrophobicContact CG2-CD2 4.17Å; I122-L124 HydrophobicContact CG2-CG 4.49Å; L124-V126 HydrophobicContact CB-CG2 4.42Å; L124-L159 HydrophobicContact CD1-CD1 3.73Å; L124-L159 HydrophobicContact CD1-CD2 3.61Å; L124-L159 HydrophobicContact CD1-CG 3.69Å; L124-L159 HydrophobicContact CD2-CD2 4.19Å; L124-L159 HydrophobicContact CG-CD1 4.01Å; L124-L159 HydrophobicContact CG-CD2 3.95Å; L124-L159 HydrophobicContact CG-CG 4.32Å; L124-I182 HydrophobicContact CD1-CG2 4.05Å; L124-L186 HydrophobicContact CD1-CD1 4.14Å; L124-S201 WeakPolarHBondContact CA-O 3.39Å; L124-I202 HydrophobicContact CD2-CB 4.13Å; L124-I202 HydrophobicContact CD2-CG1 3.54Å |
| 125 | R | 95.1 | Very high | 93.9 | Very high | 72 Ų | 72 | 52.5 Ų | 52.5 | 27% | 0.272 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.7 | 162.1 | -179.5 | -178.5 | 65.4 | 84.4 | 13.6 | 108.5 | H106 D199 S201 T203 | H106-R125 WeakPolarHBondContact O-CA 3.42Å; R125-D199 IonicContact CZ-OD2 3.05Å; R125-D199 IonicContact NH1-OD2 3.9Å; R125-D199 IonicContact NH2-OD2 3.5Å; R125-D199 PolarHBondContact NH2-OD2 3.45Å; R125-S201 PolarHBondContact N-O 3.42Å; R125-S201 PolarHBondContact NE-OG 3.38Å; R125-S201 PolarHBondContact NH2-OG 3.1Å; R125-S201 PolarHBondContact O-N 3.3Å; R125-T203 HydrophobicContact CB-CG2 3.49Å; R125-T203 VanDerWaalsContact CB-CG2 3.49Å |
| 126 | V | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.7 | 179.3 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | P105 H106 L124 L197 V200 | P105-V126 CarbonylContact C-O 3.46Å; P105-V126 WeakPolarHBondContact CA-O 3.1Å; H106-V126 PolarHBondContact N-O 3.49Å; H106-V126 PolarHBondContact O-N 2.87Å; L124-V126 HydrophobicContact CB-CG2 4.42Å; V126-L197 HydrophobicContact CG1-CD1 4.38Å; V126-L197 HydrophobicContact CG1-CD2 3.61Å; V126-L197 HydrophobicContact CG1-CG 4.47Å; V126-V200 HydrophobicContact CG1-CG2 4.3Å; V126-V200 HydrophobicContact CG2-CG1 4.39Å; V126-V200 HydrophobicContact CG2-CG2 4.38Å |
| 127 | L | 95.3 | Very high | 93.7 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 20% | 0.199 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 113.3 | 169.1 | -81.6 | 159.6 | 0 | 0 | 0 | 107.5 | A103 P105 L197 D198 D199 | A103-L127 HydrophobicContact CB-CD2 4.47Å; P105-L127 HydrophobicContact CB-CD2 3.88Å; L127-L197 CarbonylContact O-C 3.51Å; L127-L197 WeakPolarHBondContact O-CA 3.48Å; L127-D198 HydrophobicContact CB-CB 4.45Å; L127-D198 PolarHBondContact O-N 3.24Å; L127-D199 HydrophobicContact CB-CB 4.19Å; L127-D199 HydrophobicContact CD1-CB 3.82Å; L127-D199 PolarHBondContact N-O 2.92Å |
| 128 | S | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148.4 | -175 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | R104 H106 L151 I196 | R104-S128 PolarHBondContact N-O 3.29Å; R104-S128 PolarHBondContact O-N 3.04Å; H106-S128 PolarHBondContact CD2-OG 3.33Å; H106-S128 VanDerWaalsContact CD2-OG 3.31Å; S128-L151 WeakPolarHBondContact OG-CD1 3.47Å; S128-I196 WeakPolarHBondContact CA-O 3.44Å |
| 129 | R | 94.3 | Very high | 93.7 | Very high | 79 Ų | 79 | 42.5 Ų | 42.5 | 30% | 0.298 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 149.2 | 170.1 | 62.1 | -172.6 | 179.9 | 88.1 | -0.9 | 109.8 | I196 D198 | R129-I196 HydrophobicContact CG-CB 3.99Å; R129-I196 HydrophobicContact CG-CG2 4.43Å; R129-I196 PolarHBondContact N-O 3.33Å; R129-I196 PolarHBondContact O-N 3.25Å; R129-D198 WeakPolarHBondContact CD-OD2 3.39Å; R129-D198 IonicContact CZ-OD1 3.26Å; R129-D198 IonicContact NE-OD1 3.39Å; R129-D198 PolarHBondContact NE-OD1 3.48Å; R129-D198 VanDerWaalsContact NE-OD1 3.08Å; R129-D198 IonicContact NE-OD2 3.46Å; R129-D198 PolarHBondContact NE-OD2 3.26Å; R129-D198 IonicContact NH2-OD1 2.68Å |
| 130 | P | 94.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 147.1 | 174.7 | 32.1 | -30.3 | 0 | 0 | 0 | 109.6 | V101 A132 L135 I138 W146 | V101-P130 HydrophobicContact CG1-CG 4.36Å; P130-A132 PolarHBondContact O-N 2.84Å; P130-L135 HydrophobicContact CB-CD2 3.84Å; P130-L135 HydrophobicContact CG-CD2 3.95Å; P130-I138 HydrophobicContact CB-CD1 3.84Å; P130-W146 HydrophobicContact CB-CD2 4.47Å; P130-W146 HydrophobicContact CB-CZ2 4.17Å; P130-W146 VanDerWaalsContact CD-CZ2 3.45Å; P130-W146 HydrophobicContact CG-CZ2 4Å |
| 131 | D | 94 | Very high | 93.4 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 20% | 0.198 | 22% | 0.223 | C | C | . | . | trans | -69.8 | 120.5 | 170.9 | -168.3 | -17.5 | 0 | 0 | 0 | 110 | Q133 F134 L135 N194 I196 | D131-Q133 PolarHBondContact O-N 2.95Å; D131-Q133 PolarHBondContact OD1-N 3.13Å; D131-Q133 VanDerWaalsContact OD1-N 3.12Å; D131-F134 HydrophobicContact CB-CD2 4.13Å; D131-F134 PolarHBondContact O-N 3.05Å; D131-F134 VanDerWaalsContact O-N 3.13Å; D131-F134 WeakPolarHBondContact OD2-CD2 3.26Å; D131-L135 PolarHBondContact O-N 3.49Å; D131-N194 HydrophobicContact CB-CB 4.43Å; D131-N194 VanDerWaalsContact CB-O 3.3Å; D131-N194 WeakPolarHBondContact CB-O 3.48Å; D131-N194 PolarHBondContact N-O 3.25Å; D131-I196 HydrophobicContact CB-CD1 3.94Å; D131-I196 HydrophobicContact CB-CG1 4.25Å | ||
| 132 | A | 91.9 | Very high | 93.2 | Very high | 29 Ų | 29 | 46 Ų | 46 | 24% | 0.24 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -58.1 | -32.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R67 I81 V101 P130 F134 L135 | R67-A132 HydrophobicContact CG-CB 4.45Å; I81-A132 WeakPolarHBondContact CD1-O 3.44Å; V101-A132 HydrophobicContact CG1-CB 4.37Å; P130-A132 PolarHBondContact O-N 2.84Å; A132-F134 VanDerWaalsContact C-N 3.33Å; A132-F134 PolarHBondContact O-N 3.44Å; A132-L135 WeakPolarHBondContact O-CG 3.42Å |
| 133 | Q | 92.3 | Very high | 93 | Very high | 145 Ų | 145 | 46.7 Ų | 46.7 | 68% | 0.678 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -74.1 | -22 | -178.4 | -65 | -172.7 | -16.8 | 0 | 0 | 113.5 | I81 D131 | I81-Q133 VanDerWaalsContact CD1-O 3.29Å; I81-Q133 WeakPolarHBondContact CD1-O 3.16Å; D131-Q133 PolarHBondContact O-N 2.95Å; D131-Q133 PolarHBondContact OD1-N 3.13Å; D131-Q133 VanDerWaalsContact OD1-N 3.12Å |
| 134 | F | 92.9 | Very high | 92.7 | Very high | 78 Ų | 78 | 50.2 Ų | 50.2 | 34% | 0.342 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -113.6 | 13.2 | -174.8 | -63 | -75.2 | 0 | 0 | 0 | 113.4 | D131 A132 P136 R137 I138 N194 | D131-F134 HydrophobicContact CB-CD2 4.13Å; D131-F134 PolarHBondContact O-N 3.05Å; D131-F134 VanDerWaalsContact O-N 3.13Å; D131-F134 WeakPolarHBondContact OD2-CD2 3.26Å; A132-F134 VanDerWaalsContact C-N 3.33Å; A132-F134 PolarHBondContact O-N 3.44Å; F134-P136 VanDerWaalsContact C-CD 3.44Å; F134-P136 VanDerWaalsContact C-N 3.33Å; F134-R137 WeakPolarHBondContact O-CA 3.37Å; F134-R137 WeakPolarHBondContact O-CB 3.37Å; F134-R137 PolarHBondContact O-N 2.88Å; F134-I138 WeakPolarHBondContact O-CG1 3.43Å; F134-I138 PolarHBondContact O-N 3.44Å; F134-N194 HydrophobicContact CB-CB 3.64Å; F134-N194 HydrophobicContact CD2-CB 4.12Å; F134-N194 HydrophobicContact CG-CB 4.04Å |
| 135 | L | 92.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -50.5 | -42.3 | 178.3 | -68.2 | 173.5 | 0 | 0 | 0 | 114.3 | R67 I69 I81 Y99 V101 P130 D131 A132 R137 I138 Y139 | R67-L135 HydrophobicContact CB-CD1 3.43Å; R67-L135 VanDerWaalsContact CB-CD1 3.43Å; R67-L135 HydrophobicContact CG-CD1 4.21Å; I69-L135 HydrophobicContact CG2-CB 3.79Å; I81-L135 HydrophobicContact CG2-CD1 4.23Å; Y99-L135 HydrophobicContact CD1-CD2 4.12Å; Y99-L135 HydrophobicContact CD2-CD2 4.37Å; Y99-L135 HydrophobicContact CG-CD2 3.91Å; V101-L135 HydrophobicContact CG1-CD1 4.11Å; P130-L135 HydrophobicContact CB-CD2 3.84Å; P130-L135 HydrophobicContact CG-CD2 3.95Å; D131-L135 PolarHBondContact O-N 3.49Å; A132-L135 WeakPolarHBondContact O-CG 3.42Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 3.39Å; L135-I138 HydrophobicContact CD2-CD1 4.48Å; L135-I138 PolarHBondContact O-N 3.47Å; L135-Y139 WeakPolarHBondContact O-CB 3.48Å; L135-Y139 PolarHBondContact O-N 3.44Å |
| 136 | P | 92 | Very high | 92.3 | Very high | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.065 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -35 | 176.2 | -24.1 | 35.1 | 0 | 0 | 0 | 113 | I69 V77 I81 F134 R140 | I69-P136 HydrophobicContact CG2-CG 4.07Å; V77-P136 HydrophobicContact CG1-CB 4.08Å; I81-P136 HydrophobicContact CD1-CG 4.34Å; I81-P136 HydrophobicContact CG1-CG 3.94Å; F134-P136 VanDerWaalsContact C-CD 3.44Å; F134-P136 VanDerWaalsContact C-N 3.33Å; P136-R140 VanDerWaalsContact O-CG 3.26Å; P136-R140 WeakPolarHBondContact O-CG 3.22Å; P136-R140 PolarHBondContact O-N 2.87Å |
| 137 | R | 92.7 | Very high | 92.1 | Very high | 140 Ų | 140 | 52.1 Ų | 52.1 | 53% | 0.528 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -72.6 | -46.7 | 177.3 | -173 | 176 | -178.5 | -179 | 0.5 | 110.5 | F134 L135 Y139 R140 T141 | F134-R137 WeakPolarHBondContact O-CA 3.37Å; F134-R137 WeakPolarHBondContact O-CB 3.37Å; F134-R137 PolarHBondContact O-N 2.88Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 3.39Å; R137-Y139 VanDerWaalsContact C-N 3.33Å; R137-Y139 PolarHBondContact O-N 3.14Å; R137-R140 PolarHBondContact O-N 3.45Å; R137-R140 VanDerWaalsContact O-N 3.17Å; R137-T141 PolarHBondContact O-N 2.95Å; R137-T141 PolarHBondContact O-OG1 3Å |
| 138 | I | 93 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.9 | -47.8 | 176.7 | -66.2 | 168.8 | 0 | 0 | 0 | 110.4 | P130 F134 L135 R140 T141 L142 G143 W146 N194 | P130-I138 HydrophobicContact CB-CD1 3.84Å; F134-I138 WeakPolarHBondContact O-CG1 3.43Å; F134-I138 PolarHBondContact O-N 3.44Å; L135-I138 HydrophobicContact CD2-CD1 4.48Å; L135-I138 PolarHBondContact O-N 3.47Å; I138-R140 PolarHBondContact O-N 3.49Å; I138-T141 PolarHBondContact O-N 2.87Å; I138-T141 PolarHBondContact O-OG1 3.27Å; I138-L142 HydrophobicContact CG2-CD1 4.31Å; I138-L142 WeakPolarHBondContact O-CA 3.36Å; I138-L142 WeakPolarHBondContact O-CB 3.37Å; I138-L142 PolarHBondContact O-N 2.98Å; I138-G143 PolarHBondContact O-N 2.86Å; I138-W146 HydrophobicContact CG2-CB 3.85Å; I138-W146 HydrophobicContact CG2-CG 4.11Å; I138-N194 HydrophobicContact CD1-CB 4.16Å; I138-N194 WeakPolarHBondContact CD1-O 3.42Å; I138-N194 HydrophobicContact CG1-CB 4.19Å |
| 139 | Y | 92.2 | Very high | 91.6 | Very high | 60 Ų | 60 | 64.4 Ų | 64.4 | 24% | 0.235 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 178.5 | 178.9 | -98.1 | 0 | 0 | 0 | 112.6 | I69 V77 I97 Y99 L135 R137 G143 I144 | I69-Y139 HydrophobicContact CD1-CD1 3.86Å; I69-Y139 HydrophobicContact CD1-CD2 3.99Å; I69-Y139 HydrophobicContact CD1-CG 3.45Å; I69-Y139 VanDerWaalsContact CD1-CG 3.45Å; V77-Y139 HydrophobicContact CG1-CD1 4.23Å; V77-Y139 HydrophobicContact CG2-CD1 3.47Å; V77-Y139 VanDerWaalsContact CG2-CD1 3.47Å; V77-Y139 HydrophobicContact CG2-CE1 3.55Å; I97-Y139 HydrophobicContact CD1-CD1 4.34Å; I97-Y139 HydrophobicContact CD1-CD2 4.16Å; I97-Y139 HydrophobicContact CD1-CE1 3.73Å; I97-Y139 HydrophobicContact CD1-CE2 3.53Å; I97-Y139 WeakPolarHBondContact CD1-OH 3.24Å; I97-Y139 HydrophobicContact CG1-CE2 4.2Å; I97-Y139 HydrophobicContact CG2-CD2 4.12Å; I97-Y139 HydrophobicContact CG2-CE2 4.01Å; Y99-Y139 HydrophobicContact CE2-CD2 4.03Å; Y99-Y139 HydrophobicContact CE2-CG 4.43Å; Y99-Y139 WeakPolarHBondContact OH-CA 3.35Å; Y99-Y139 WeakPolarHBondContact OH-CB 3.33Å; Y99-Y139 VanDerWaalsContact OH-CD2 3.26Å; Y99-Y139 WeakPolarHBondContact OH-CD2 3.49Å; L135-Y139 WeakPolarHBondContact O-CB 3.48Å; L135-Y139 PolarHBondContact O-N 3.44Å; R137-Y139 VanDerWaalsContact C-N 3.33Å; R137-Y139 PolarHBondContact O-N 3.14Å; Y139-G143 WeakPolarHBondContact O-CA 3.34Å; Y139-G143 PolarHBondContact O-N 3.37Å; Y139-G143 VanDerWaalsContact O-N 3.11Å; Y139-I144 HydrophobicContact CD2-CG1 4.13Å; Y139-I144 HydrophobicContact CE2-CD1 4.36Å; Y139-I144 HydrophobicContact CE2-CG1 3.8Å |
| 140 | R | 89.8 | Confident | 91.5 | Very high | 155 Ų | 155 | 61 Ų | 61 | 59% | 0.585 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -67.1 | -37.9 | 178 | -73.8 | 175.5 | -170.1 | 171.2 | 2.6 | 113 | V77 P136 R137 I138 | V77-R140 HydrophobicContact CB-CG 4.26Å; V77-R140 HydrophobicContact CG2-CG 4.05Å; V77-R140 PolarHBondContact O-NH2 2.89Å; P136-R140 VanDerWaalsContact O-CG 3.26Å; P136-R140 WeakPolarHBondContact O-CG 3.22Å; P136-R140 PolarHBondContact O-N 2.87Å; R137-R140 PolarHBondContact O-N 3.45Å; R137-R140 VanDerWaalsContact O-N 3.17Å; I138-R140 PolarHBondContact O-N 3.49Å |
| 141 | T | 90.4 | Very high | 91.4 | Very high | 88 Ų | 88 | 61.3 Ų | 61.3 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -91.4 | -39.6 | -174.9 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | R137 I138 | R137-T141 PolarHBondContact O-N 2.95Å; R137-T141 PolarHBondContact O-OG1 3Å; I138-T141 PolarHBondContact O-N 2.87Å; I138-T141 PolarHBondContact O-OG1 3.27Å |
| 142 | L | 89.9 | Confident | 91.4 | Very high | 12 Ų | 12 | 61.8 Ų | 61.8 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -27.1 | -170.2 | -55.5 | -178.6 | 0 | 0 | 0 | 113.1 | I138 W146 R149 V150 F193 I195 | I138-L142 HydrophobicContact CG2-CD1 4.31Å; I138-L142 WeakPolarHBondContact O-CA 3.36Å; I138-L142 WeakPolarHBondContact O-CB 3.37Å; I138-L142 PolarHBondContact O-N 2.98Å; L142-W146 HydrophobicContact CB-CB 3.86Å; L142-W146 HydrophobicContact CD1-CB 3.98Å; L142-R149 VanDerWaalsContact O-CZ 3.3Å; L142-R149 PolarHBondContact O-NH1 3.26Å; L142-V150 HydrophobicContact CD1-CB 4.47Å; L142-V150 HydrophobicContact CD1-CG2 3.55Å; L142-V150 HydrophobicContact CD2-CG2 3.28Å; L142-V150 HydrophobicContact CG-CG2 3.94Å; L142-F193 HydrophobicContact CD1-CB 4.39Å; L142-F193 HydrophobicContact CD1-CD1 4.47Å; L142-F193 HydrophobicContact CD2-CD1 4.24Å; L142-I195 HydrophobicContact CD1-CD1 4.31Å |
| 143 | G | 90.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 64.3 Ų | 64.3 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | trans | 83 | -164.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y99 I138 Y139 | Y99-G143 VanDerWaalsContact OH-C 3.29Å; Y99-G143 PolarHBondContact OH-O 3.42Å; I138-G143 PolarHBondContact O-N 2.86Å; Y139-G143 WeakPolarHBondContact O-CA 3.34Å; Y139-G143 PolarHBondContact O-N 3.37Å; Y139-G143 VanDerWaalsContact O-N 3.11Å | ||
| 144 | I | 88.5 | Confident | 91.5 | Very high | 95 Ų | 95 | 58 Ų | 58 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -70.4 | -39.4 | -177.6 | -57.5 | 174.1 | 0 | 0 | 0 | 110.6 | I97 Y139 W146 | I97-I144 HydrophobicContact CG2-CD1 4.35Å; I97-I144 HydrophobicContact CG2-CG1 4.24Å; Y139-I144 HydrophobicContact CD2-CG1 4.13Å; Y139-I144 HydrophobicContact CE2-CD1 4.36Å; Y139-I144 HydrophobicContact CE2-CG1 3.8Å; I144-W146 VanDerWaalsContact O-CD1 3.24Å; I144-W146 PolarHBondContact O-N 2.88Å |
| 145 | D | 90.7 | Very high | 91.7 | Very high | 85 Ų | 85 | 54.3 Ų | 54.3 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | trans | -88.5 | 52.2 | -178.5 | -43.5 | -46.4 | 0 | 0 | 0 | 111.4 | D147 R149 | D145-D147 VanDerWaalsContact C-N 3.31Å; D145-D147 PolarHBondContact O-N 2.82Å; D145-R149 VanDerWaalsContact O-CB 3.27Å; D145-R149 WeakPolarHBondContact O-CB 3.27Å; D145-R149 PolarHBondContact O-N 2.84Å | ||
| 146 | W | 91.8 | Very high | 91.7 | Very high | 12 Ų | 12 | 56.7 Ų | 56.7 | 5% | 0.045 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.6 | -35.1 | -175.4 | 62.7 | -86.4 | 0 | 0 | 0 | 112.5 | Y99 P130 I138 L142 I144 V150 I195 | Y99-W146 AromaticContact CE1-CD1 3.7Å; P130-W146 HydrophobicContact CB-CD2 4.47Å; P130-W146 HydrophobicContact CB-CZ2 4.17Å; P130-W146 VanDerWaalsContact CD-CZ2 3.45Å; P130-W146 HydrophobicContact CG-CZ2 4Å; I138-W146 HydrophobicContact CG2-CB 3.85Å; I138-W146 HydrophobicContact CG2-CG 4.11Å; L142-W146 HydrophobicContact CB-CB 3.86Å; L142-W146 HydrophobicContact CD1-CB 3.98Å; I144-W146 VanDerWaalsContact O-CD1 3.24Å; I144-W146 PolarHBondContact O-N 2.88Å; W146-V150 WeakPolarHBondContact O-CB 3.26Å; W146-V150 PolarHBondContact O-N 3.48Å; W146-I195 HydrophobicContact CE3-CD1 3.55Å; W146-I195 HydrophobicContact CE3-CG1 3.69Å; W146-I195 HydrophobicContact CE3-CG2 4.27Å; W146-I195 HydrophobicContact CH2-CG2 4.28Å; W146-I195 HydrophobicContact CZ3-CB 4.32Å; W146-I195 HydrophobicContact CZ3-CD1 3.88Å; W146-I195 HydrophobicContact CZ3-CG1 3.85Å; W146-I195 HydrophobicContact CZ3-CG2 3.52Å |
| 147 | D | 89.9 | Confident | 91.9 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.08 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.3 | -52.5 | -178 | 50.1 | -4.8 | 0 | 0 | 0 | 111.2 | H106 D145 R149 L151 | H106-D147 IonicContact CE1-OD2 3.02Å; H106-D147 PolarHBondContact CE1-OD2 3.31Å; H106-D147 IonicContact NE2-OD2 3.41Å; H106-D147 PolarHBondContact NE2-OD2 3.22Å; D145-D147 VanDerWaalsContact C-N 3.31Å; D145-D147 PolarHBondContact O-N 2.82Å; D147-R149 VanDerWaalsContact C-N 3.29Å; D147-R149 PolarHBondContact O-N 2.88Å; D147-L151 HydrophobicContact CB-CD1 3.78Å; D147-L151 WeakPolarHBondContact O-CB 3.41Å; D147-L151 VanDerWaalsContact O-CG 3.25Å; D147-L151 WeakPolarHBondContact O-CG 3.27Å; D147-L151 PolarHBondContact O-N 2.88Å |
| 148 | E | 90.5 | Very high | 92 | Very high | 144 Ų | 144 | 54 Ų | 54 | 67% | 0.673 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.2 | -32.3 | 179.9 | -65.7 | -170.7 | 172.2 | 0 | 0 | 112.9 | P152 | E148-P152 WeakPolarHBondContact O-CD 3.36Å; E148-P152 VanDerWaalsContact O-CG 3.28Å; E148-P152 WeakPolarHBondContact O-CG 3.39Å |
| 149 | R | 89.1 | Confident | 92.1 | Very high | 152 Ų | 152 | 54 Ų | 54 | 57% | 0.574 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -77.5 | -44 | -178 | -173.3 | 169.9 | -62.9 | 170.8 | 4 | 113 | L142 D145 D147 | L142-R149 VanDerWaalsContact O-CZ 3.3Å; L142-R149 PolarHBondContact O-NH1 3.26Å; D145-R149 VanDerWaalsContact O-CB 3.27Å; D145-R149 WeakPolarHBondContact O-CB 3.27Å; D145-R149 PolarHBondContact O-N 2.84Å; D147-R149 VanDerWaalsContact C-N 3.29Å; D147-R149 PolarHBondContact O-N 2.88Å |
| 150 | V | 92.3 | Very high | 92.2 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -98.4 | -40.6 | -168.3 | 177.2 | 0 | 0 | 0 | 0 | 112.5 | L142 W146 S153 I154 F193 I195 | L142-V150 HydrophobicContact CD1-CB 4.47Å; L142-V150 HydrophobicContact CD1-CG2 3.55Å; L142-V150 HydrophobicContact CD2-CG2 3.28Å; L142-V150 HydrophobicContact CG-CG2 3.94Å; W146-V150 WeakPolarHBondContact O-CB 3.26Å; W146-V150 PolarHBondContact O-N 3.48Å; V150-S153 PolarHBondContact O-N 3.47Å; V150-I154 HydrophobicContact CG1-CD1 3.3Å; V150-I154 HydrophobicContact CG1-CG1 3.85Å; V150-I154 PolarHBondContact O-N 2.93Å; V150-F193 HydrophobicContact CG1-CB 4.33Å; V150-F193 HydrophobicContact CG1-CD1 4.03Å; V150-F193 HydrophobicContact CG1-CD2 4.02Å; V150-F193 HydrophobicContact CG1-CE1 4.33Å; V150-F193 HydrophobicContact CG1-CE2 4.33Å; V150-F193 HydrophobicContact CG1-CG 3.84Å; V150-F193 HydrophobicContact CG1-CZ 4.46Å; V150-F193 HydrophobicContact CG2-CD1 4.4Å; V150-I195 HydrophobicContact CB-CD1 4.27Å; V150-I195 HydrophobicContact CG1-CD1 4.05Å |
| 151 | L | 93.1 | Very high | 92.4 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | -172.8 | -63.3 | 172.1 | 0 | 0 | 0 | 112.7 | H106 I108 S128 D147 S153 C155 L197 | H106-L151 HydrophobicContact CB-CD1 4.35Å; I108-L151 HydrophobicContact CD1-CB 3.75Å; S128-L151 WeakPolarHBondContact OG-CD1 3.47Å; D147-L151 HydrophobicContact CB-CD1 3.78Å; D147-L151 WeakPolarHBondContact O-CB 3.41Å; D147-L151 VanDerWaalsContact O-CG 3.25Å; D147-L151 WeakPolarHBondContact O-CG 3.27Å; D147-L151 PolarHBondContact O-N 2.88Å; L151-S153 VanDerWaalsContact C-N 3.27Å; L151-S153 PolarHBondContact O-N 3.37Å; L151-C155 WeakPolarHBondContact O-CB 3.41Å; L151-C155 PolarHBondContact O-N 3.26Å; L151-C155 PolarHBondContact O-SG 2.89Å; L151-L197 HydrophobicContact CD2-CD2 4.2Å |
| 152 | P | 93.4 | Very high | 92.6 | Very high | 46 Ų | 46 | 47.7 Ų | 47.7 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.4 | -38 | 177.7 | -25 | 36.6 | 0 | 0 | 0 | 112.3 | E148 N156 | E148-P152 WeakPolarHBondContact O-CD 3.36Å; E148-P152 VanDerWaalsContact O-CG 3.28Å; E148-P152 WeakPolarHBondContact O-CG 3.39Å; P152-N156 WeakPolarHBondContact O-CB 3.34Å; P152-N156 PolarHBondContact O-N 2.85Å; P152-N156 PolarHBondContact O-ND2 3.5Å |
| 153 | S | 93.4 | Very high | 92.8 | Very high | 82 Ų | 82 | 47.1 Ų | 47.1 | 57% | 0.573 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -68 | -51.3 | -178.3 | -157.8 | 0 | 0 | 0 | 0 | 111.6 | V150 L151 N156 E157 | V150-S153 PolarHBondContact O-N 3.47Å; L151-S153 VanDerWaalsContact C-N 3.27Å; L151-S153 PolarHBondContact O-N 3.37Å; S153-N156 PolarHBondContact O-N 3.49Å; S153-E157 WeakPolarHBondContact O-CB 3.25Å; S153-E157 PolarHBondContact O-N 3.48Å |
| 154 | I | 94.5 | Very high | 93 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -42 | 178.5 | -59.5 | 177.7 | 0 | 0 | 0 | 110.8 | V150 N156 E157 V158 L186 R189 F193 | V150-I154 HydrophobicContact CG1-CD1 3.3Å; V150-I154 HydrophobicContact CG1-CG1 3.85Å; V150-I154 PolarHBondContact O-N 2.93Å; I154-N156 PolarHBondContact O-N 3.45Å; I154-E157 PolarHBondContact O-N 2.97Å; I154-V158 HydrophobicContact CG2-CG2 4.22Å; I154-V158 WeakPolarHBondContact O-CB 3.36Å; I154-V158 WeakPolarHBondContact O-CG2 3.36Å; I154-V158 PolarHBondContact O-N 2.97Å; I154-L186 HydrophobicContact CG2-CD2 3.88Å; I154-R189 HydrophobicContact CG2-CB 3.54Å; I154-R189 HydrophobicContact CG2-CG 4.36Å; I154-F193 HydrophobicContact CD1-CD2 3.35Å; I154-F193 HydrophobicContact CD1-CE2 3.42Å; I154-F193 VanDerWaalsContact CD1-CE2 3.42Å; I154-F193 HydrophobicContact CD1-CG 4.27Å; I154-F193 HydrophobicContact CD1-CZ 4.39Å; I154-F193 HydrophobicContact CG1-CD2 4.4Å; I154-F193 HydrophobicContact CG1-CE2 4Å |
| 155 | C | 95.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 179.2 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | I108 L151 E157 L159 | I108-C155 HydrophobicContact CD1-CB 4.06Å; I108-C155 HydrophobicContact CG2-CB 4.09Å; L151-C155 WeakPolarHBondContact O-CB 3.41Å; L151-C155 PolarHBondContact O-N 3.26Å; L151-C155 PolarHBondContact O-SG 2.89Å; C155-E157 VanDerWaalsContact C-N 3.35Å; C155-E157 PolarHBondContact O-N 2.81Å; C155-L159 WeakPolarHBondContact O-CB 3.47Å; C155-L159 WeakPolarHBondContact O-CG 3.43Å; C155-L159 PolarHBondContact O-N 3Å |
| 156 | N | 94.2 | Very high | 93.5 | Very high | 49 Ų | 49 | 46.9 Ų | 46.9 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 177.6 | -72.6 | -22.2 | 0 | 0 | 0 | 112 | S110 P152 S153 I154 K160 | S110-N156 WeakPolarHBondContact CB-OD1 3.36Å; S110-N156 PolarHBondContact OG-OD1 2.87Å; P152-N156 WeakPolarHBondContact O-CB 3.34Å; P152-N156 PolarHBondContact O-N 2.85Å; P152-N156 PolarHBondContact O-ND2 3.5Å; S153-N156 PolarHBondContact O-N 3.49Å; I154-N156 PolarHBondContact O-N 3.45Å; N156-K160 WeakPolarHBondContact O-CB 3.34Å; N156-K160 WeakPolarHBondContact O-CG 3.29Å; N156-K160 PolarHBondContact O-N 3.26Å |
| 157 | E | 94.3 | Very high | 93.7 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 42% | 0.421 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.2 | -50.7 | 178.2 | -168.5 | -162.7 | 137.3 | 0 | 0 | 111.7 | S153 I154 C155 K160 S161 R189 | S153-E157 WeakPolarHBondContact O-CB 3.25Å; S153-E157 PolarHBondContact O-N 3.48Å; I154-E157 PolarHBondContact O-N 2.97Å; C155-E157 VanDerWaalsContact C-N 3.35Å; C155-E157 PolarHBondContact O-N 2.81Å; E157-K160 PolarHBondContact O-N 2.85Å; E157-S161 PolarHBondContact O-N 3.4Å; E157-S161 PolarHBondContact O-OG 3.31Å; E157-R189 IonicContact OE1-CZ 3.03Å; E157-R189 IonicContact OE1-NE 3.06Å; E157-R189 PolarHBondContact OE1-NE 3.29Å; E157-R189 IonicContact OE1-NH2 2.72Å; E157-R189 PolarHBondContact OE1-NH2 2.96Å; E157-R189 IonicContact OE2-NH2 3.3Å; E157-R189 PolarHBondContact OE2-NH2 3.39Å |
| 158 | V | 95.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -44.3 | -179.6 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | I154 K160 S161 V162 M185 L186 R189 | I154-V158 HydrophobicContact CG2-CG2 4.22Å; I154-V158 WeakPolarHBondContact O-CB 3.36Å; I154-V158 WeakPolarHBondContact O-CG2 3.36Å; I154-V158 PolarHBondContact O-N 2.97Å; V158-K160 VanDerWaalsContact C-N 3.34Å; V158-K160 PolarHBondContact O-N 3.21Å; V158-S161 PolarHBondContact O-N 2.99Å; V158-S161 PolarHBondContact O-OG 3.28Å; V158-V162 HydrophobicContact CG1-CG2 4.06Å; V158-V162 WeakPolarHBondContact O-CG2 3.42Å; V158-V162 PolarHBondContact O-N 3.3Å; V158-M185 HydrophobicContact CG1-CB 3.8Å; V158-M185 HydrophobicContact CG1-CE 3.75Å; V158-M185 HydrophobicContact CG2-CB 4.45Å; V158-L186 HydrophobicContact CB-CD2 3.61Å; V158-L186 HydrophobicContact CB-CG 4.07Å; V158-L186 HydrophobicContact CG1-CD2 3.95Å; V158-L186 HydrophobicContact CG1-CG 3.82Å; V158-L186 HydrophobicContact CG2-CD2 3.73Å; V158-L186 HydrophobicContact CG2-CG 4.34Å; V158-R189 HydrophobicContact CG2-CG 3.93Å |
| 159 | L | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.1 | -49.4 | 175.4 | -79.7 | 172.9 | 0 | 0 | 0 | 111.5 | I122 L124 C155 S161 V162 V163 I182 | I122-L159 HydrophobicContact CB-CD2 4.46Å; I122-L159 HydrophobicContact CG2-CD2 3.99Å; L124-L159 HydrophobicContact CD1-CD1 3.73Å; L124-L159 HydrophobicContact CD1-CD2 3.61Å; L124-L159 HydrophobicContact CD1-CG 3.69Å; L124-L159 HydrophobicContact CD2-CD2 4.19Å; L124-L159 HydrophobicContact CG-CD1 4.01Å; L124-L159 HydrophobicContact CG-CD2 3.95Å; L124-L159 HydrophobicContact CG-CG 4.32Å; C155-L159 WeakPolarHBondContact O-CB 3.47Å; C155-L159 WeakPolarHBondContact O-CG 3.43Å; C155-L159 PolarHBondContact O-N 3Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.46Å; L159-V162 PolarHBondContact O-N 2.91Å; L159-V163 HydrophobicContact CD2-CG2 4.5Å; L159-V163 VanDerWaalsContact O-CB 3.22Å; L159-V163 WeakPolarHBondContact O-CB 3.48Å; L159-V163 WeakPolarHBondContact O-CG2 3.29Å; L159-V163 PolarHBondContact O-N 3.48Å; L159-I182 HydrophobicContact CD2-CD1 3.96Å |
| 160 | K | 93.9 | Very high | 94.1 | Very high | 121 Ų | 121 | 39.8 Ų | 39.8 | 53% | 0.526 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 177.3 | -73.5 | 173.2 | -176.9 | -178.1 | 0 | 112.6 | T112 N156 E157 V158 A164 | T112-K160 HydrophobicContact CG2-CB 4.35Å; T112-K160 HydrophobicContact CG2-CG 3.98Å; N156-K160 WeakPolarHBondContact O-CB 3.34Å; N156-K160 WeakPolarHBondContact O-CG 3.29Å; N156-K160 PolarHBondContact O-N 3.26Å; E157-K160 PolarHBondContact O-N 2.85Å; V158-K160 VanDerWaalsContact C-N 3.34Å; V158-K160 PolarHBondContact O-N 3.21Å; K160-A164 VanDerWaalsContact O-CB 3.24Å; K160-A164 WeakPolarHBondContact O-CB 3.49Å; K160-A164 PolarHBondContact O-N 3.27Å |
| 161 | S | 94.3 | Very high | 94.1 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 35% | 0.35 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70.8 | -33.4 | -179.5 | 69.9 | 0 | 0 | 0 | 0 | 114.3 | E157 V158 L159 K165 M185 | E157-S161 PolarHBondContact O-N 3.4Å; E157-S161 PolarHBondContact O-OG 3.31Å; V158-S161 PolarHBondContact O-N 2.99Å; V158-S161 PolarHBondContact O-OG 3.28Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.46Å; S161-K165 WeakPolarHBondContact O-CE 3.46Å; S161-M185 VanDerWaalsContact OG-CE 3.23Å; S161-M185 WeakPolarHBondContact OG-CE 3.41Å |
| 162 | V | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -76.5 | -51.8 | 177.9 | 179.1 | 0 | 0 | 0 | 0 | 111 | V158 L159 A164 K165 F166 V178 L181 I182 M185 | V158-V162 HydrophobicContact CG1-CG2 4.06Å; V158-V162 WeakPolarHBondContact O-CG2 3.42Å; V158-V162 PolarHBondContact O-N 3.3Å; L159-V162 PolarHBondContact O-N 2.91Å; V162-A164 VanDerWaalsContact C-N 3.26Å; V162-A164 PolarHBondContact O-N 2.91Å; V162-K165 WeakPolarHBondContact O-CB 3.39Å; V162-K165 PolarHBondContact O-N 2.96Å; V162-F166 HydrophobicContact CG1-CD2 4.26Å; V162-F166 HydrophobicContact CG1-CE2 4.07Å; V162-F166 WeakPolarHBondContact O-CD2 3.43Å; V162-V178 HydrophobicContact CG1-CG1 4.02Å; V162-L181 HydrophobicContact CB-CD2 4.24Å; V162-L181 HydrophobicContact CG1-CD2 3.85Å; V162-L181 HydrophobicContact CG2-CD2 3.48Å; V162-L181 VanDerWaalsContact CG2-CD2 3.48Å; V162-I182 HydrophobicContact CB-CG1 3.99Å; V162-I182 HydrophobicContact CG1-CG1 3.85Å; V162-I182 HydrophobicContact CG2-CG1 3.82Å; V162-M185 HydrophobicContact CB-CE 4.36Å; V162-M185 HydrophobicContact CG2-CE 3.06Å; V162-M185 HydrophobicContact CG2-SD 4.42Å |
| 163 | V | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67 | -33.5 | -169 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | T112 I122 L159 K165 F166 L171 | T112-V163 HydrophobicContact CG2-CB 3.59Å; T112-V163 HydrophobicContact CG2-CG1 3.72Å; T112-V163 HydrophobicContact CG2-CG2 4.15Å; I122-V163 HydrophobicContact CD1-CB 4.38Å; I122-V163 HydrophobicContact CD1-CG1 4.11Å; I122-V163 HydrophobicContact CD1-CG2 3.34Å; L159-V163 HydrophobicContact CD2-CG2 4.5Å; L159-V163 VanDerWaalsContact O-CB 3.22Å; L159-V163 WeakPolarHBondContact O-CB 3.48Å; L159-V163 WeakPolarHBondContact O-CG2 3.29Å; L159-V163 PolarHBondContact O-N 3.48Å; V163-K165 PolarHBondContact O-N 3Å; V163-K165 VanDerWaalsContact O-N 3.09Å; V163-F166 PolarHBondContact O-N 3.28Å; V163-F166 VanDerWaalsContact O-N 3.12Å; V163-L171 HydrophobicContact CG1-CD1 3.88Å |
| 164 | A | 94.7 | Very high | 93.9 | Very high | 52 Ų | 52 | 46.2 Ų | 46.2 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -16.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K115 K160 V162 | K115-A164 WeakPolarHBondContact CA-O 3.42Å; K115-A164 VanDerWaalsContact CB-O 3.32Å; K115-A164 WeakPolarHBondContact CB-O 3.39Å; K160-A164 VanDerWaalsContact O-CB 3.24Å; K160-A164 WeakPolarHBondContact O-CB 3.49Å; K160-A164 PolarHBondContact O-N 3.27Å; V162-A164 VanDerWaalsContact C-N 3.26Å; V162-A164 PolarHBondContact O-N 2.91Å |
| 165 | K | 95.3 | Very high | 93.8 | Very high | 119 Ų | 119 | 51 Ų | 51 | 52% | 0.517 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -18.9 | 177.6 | -61.7 | 175.5 | -178.2 | 176.8 | 0 | 113.3 | S161 V162 V163 | S161-K165 WeakPolarHBondContact O-CE 3.46Å; V162-K165 WeakPolarHBondContact O-CB 3.39Å; V162-K165 PolarHBondContact O-N 2.96Å; V163-K165 PolarHBondContact O-N 3Å; V163-K165 VanDerWaalsContact O-N 3.09Å |
| 166 | F | 95.6 | Very high | 93.8 | Very high | 21 Ų | 21 | 58.1 Ų | 58.1 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -115.3 | 146.6 | -174.6 | -65.5 | -86.1 | 0 | 0 | 0 | 111.3 | K115 V162 V163 Q170 L171 V178 L181 | K115-F166 VanDerWaalsContact CB-O 3.23Å; K115-F166 WeakPolarHBondContact CB-O 3.45Å; K115-F166 PolarHBondContact N-O 3.29Å; V162-F166 HydrophobicContact CG1-CD2 4.26Å; V162-F166 HydrophobicContact CG1-CE2 4.07Å; V162-F166 WeakPolarHBondContact O-CD2 3.43Å; V163-F166 PolarHBondContact O-N 3.28Å; V163-F166 VanDerWaalsContact O-N 3.12Å; F166-Q170 HydrophobicContact CB-CB 4.34Å; F166-Q170 HydrophobicContact CD1-CB 4.32Å; F166-L171 HydrophobicContact CB-CD2 3.86Å; F166-L171 HydrophobicContact CB-CG 4.4Å; F166-V178 HydrophobicContact CD1-CG2 4.17Å; F166-V178 HydrophobicContact CD2-CG2 3.97Å; F166-V178 HydrophobicContact CE1-CG2 4.19Å; F166-V178 HydrophobicContact CE2-CG2 4.01Å; F166-V178 HydrophobicContact CG-CG2 4.06Å; F166-V178 HydrophobicContact CZ-CG2 4.12Å; F166-L181 HydrophobicContact CE2-CD1 4.3Å; F166-L181 HydrophobicContact CZ-CD1 4.37Å |
| 167 | N | 94.7 | Very high | 93.8 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 28% | 0.283 | 31% | 0.31 | S | S | . | . | trans | -73.9 | 154.4 | 170.3 | -65 | -19.4 | 0 | 0 | 0 | 110.2 | K115 S169 Q170 L171 | K115-N167 WeakPolarHBondContact CB-OD1 3.39Å; K115-N167 WeakPolarHBondContact CD-OD1 3.27Å; N167-S169 VanDerWaalsContact C-N 3.26Å; N167-S169 PolarHBondContact O-N 3.36Å; N167-Q170 HydrophobicContact CB-CG 4.28Å; N167-Q170 WeakPolarHBondContact O-CA 3.46Å; N167-Q170 WeakPolarHBondContact O-CB 3.3Å; N167-Q170 PolarHBondContact O-N 3.38Å; N167-L171 PolarHBondContact O-N 2.94Å | ||
| 168 | A | 92.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.5 | -41.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D116 Q118 Q170 L171 F207 Y211 | D116-A168 PolarHBondContact OD1-N 3.01Å; Q118-A168 HydrophobicContact CB-CB 4.18Å; Q118-A168 HydrophobicContact CG-CB 4.42Å; A168-Q170 VanDerWaalsContact C-N 3.3Å; A168-Q170 PolarHBondContact O-N 3.48Å; A168-L171 WeakPolarHBondContact O-CB 3.26Å; A168-L171 PolarHBondContact O-N 2.85Å; A168-F207 HydrophobicContact CB-CD1 4.1Å; A168-F207 HydrophobicContact CB-CE1 3.66Å; A168-F207 WeakPolarHBondContact O-CZ 3.37Å; A168-Y211 HydrophobicContact CB-CE1 3.93Å; A168-Y211 HydrophobicContact CB-CE2 4.19Å; A168-Y211 WeakPolarHBondContact CB-OH 3.41Å |
| 169 | S | 90.7 | Very high | 93.7 | Very high | 60 Ų | 60 | 57.7 Ų | 57.7 | 42% | 0.42 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.8 | -28.7 | 176.8 | 60.1 | 0 | 0 | 0 | 0 | 114 | N167 T173 Y211 | N167-S169 VanDerWaalsContact C-N 3.26Å; N167-S169 PolarHBondContact O-N 3.36Å; S169-T173 PolarHBondContact O-N 3.49Å; S169-T173 PolarHBondContact O-OG1 2.97Å; S169-T173 VanDerWaalsContact O-OG1 3.1Å; S169-Y211 PolarHBondContact N-OH 3.46Å |
| 170 | Q | 94 | Very high | 93.7 | Very high | 60 Ų | 60 | 63 Ų | 63 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -76.4 | -30.4 | 177 | -67.6 | 173.7 | -25.4 | 0 | 0 | 111.6 | F166 N167 A168 I172 T173 Q174 | F166-Q170 HydrophobicContact CB-CB 4.34Å; F166-Q170 HydrophobicContact CD1-CB 4.32Å; N167-Q170 HydrophobicContact CB-CG 4.28Å; N167-Q170 WeakPolarHBondContact O-CA 3.46Å; N167-Q170 WeakPolarHBondContact O-CB 3.3Å; N167-Q170 PolarHBondContact O-N 3.38Å; A168-Q170 VanDerWaalsContact C-N 3.3Å; A168-Q170 PolarHBondContact O-N 3.48Å; Q170-I172 PolarHBondContact O-N 3.43Å; Q170-T173 PolarHBondContact O-N 2.85Å; Q170-Q174 WeakPolarHBondContact O-CA 3.44Å; Q170-Q174 WeakPolarHBondContact O-CB 3.45Å; Q170-Q174 PolarHBondContact O-N 2.91Å |
| 171 | L | 92.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.5 | -29.1 | 175.5 | -60.7 | 173.6 | 0 | 0 | 0 | 112.2 | V120 V163 F166 N167 A168 R175 V178 L205 | V120-L171 HydrophobicContact CB-CD1 4.46Å; V120-L171 HydrophobicContact CG1-CD1 4.12Å; V120-L171 HydrophobicContact CG2-CD1 4.02Å; V163-L171 HydrophobicContact CG1-CD1 3.88Å; F166-L171 HydrophobicContact CB-CD2 3.86Å; F166-L171 HydrophobicContact CB-CG 4.4Å; N167-L171 PolarHBondContact O-N 2.94Å; A168-L171 WeakPolarHBondContact O-CB 3.26Å; A168-L171 PolarHBondContact O-N 2.85Å; L171-R175 WeakPolarHBondContact O-CB 3.38Å; L171-V178 HydrophobicContact CD2-CG1 3.98Å; L171-V178 HydrophobicContact CD2-CG2 4.04Å; L171-L205 HydrophobicContact CB-CD1 4.01Å; L171-L205 HydrophobicContact CB-CD2 4.18Å; L171-L205 HydrophobicContact CD1-CD1 4.47Å |
| 172 | I | 90.6 | Very high | 93.8 | Very high | 91 Ų | 91 | 57.1 Ų | 57.1 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -76.8 | -53.6 | 174.9 | -51.2 | 179.6 | 0 | 0 | 0 | 110.4 | Q170 L205 F207 | Q170-I172 PolarHBondContact O-N 3.43Å; I172-L205 HydrophobicContact CG1-CD2 4.24Å; I172-F207 HydrophobicContact CD1-CD2 4.38Å; I172-F207 HydrophobicContact CD1-CE2 3.41Å; I172-F207 VanDerWaalsContact CD1-CE2 3.41Å; I172-F207 HydrophobicContact CD1-CZ 3.69Å; I172-F207 HydrophobicContact CG1-CE2 3.5Å; I172-F207 HydrophobicContact CG1-CZ 3.44Å; I172-F207 VanDerWaalsContact CG1-CZ 3.44Å |
| 173 | T | 92 | Very high | 93.8 | Very high | 112 Ų | 112 | 62 Ų | 62 | 69% | 0.687 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -77.7 | -34.2 | -171 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | S169 Q170 | S169-T173 PolarHBondContact O-N 3.49Å; S169-T173 PolarHBondContact O-OG1 2.97Å; S169-T173 VanDerWaalsContact O-OG1 3.1Å; Q170-T173 PolarHBondContact O-N 2.85Å |
| 174 | Q | 93.8 | Very high | 93.9 | Very high | 74 Ų | 74 | 69 Ų | 69 | 35% | 0.346 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 29.2 | -176.8 | -59.3 | 179.2 | -7.5 | 0 | 0 | 112.2 | Q170 Q176 Q177 V178 | Q170-Q174 WeakPolarHBondContact O-CA 3.44Å; Q170-Q174 WeakPolarHBondContact O-CB 3.45Å; Q170-Q174 PolarHBondContact O-N 2.91Å; Q174-Q176 PolarHBondContact O-N 3.46Å; Q174-Q176 VanDerWaalsContact O-N 3.08Å; Q174-Q177 HydrophobicContact CB-CB 4.46Å; Q174-Q177 PolarHBondContact O-N 3.26Å; Q174-V178 WeakPolarHBondContact O-CG2 3.4Å; Q174-V178 PolarHBondContact O-N 3.06Å; Q174-V178 VanDerWaalsContact O-N 3.1Å |
| 175 | R | 92.9 | Very high | 93.9 | Very high | 112 Ų | 112 | 68.4 Ų | 68.4 | 42% | 0.423 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -50.3 | -39.5 | -177 | -172.6 | -177.3 | 178.1 | -158.8 | 8 | 113.2 | L171 V178 S179 I202 T203 | L171-R175 WeakPolarHBondContact O-CB 3.38Å; R175-V178 PolarHBondContact O-N 3.35Å; R175-S179 WeakPolarHBondContact O-CB 3.36Å; R175-S179 PolarHBondContact O-N 3.41Å; R175-I202 HydrophobicContact CG-CD1 4.21Å; R175-I202 PolarHBondContact NH2-O 3.46Å; R175-T203 PolarHBondContact NH2-O 2.67Å |
| 176 | Q | 93.8 | Very high | 94 | Very high | 153 Ų | 153 | 62.9 Ų | 62.9 | 72% | 0.715 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.6 | -43.6 | -179.1 | -173.1 | 62.5 | 10.6 | 0 | 0 | 112.5 | Q174 S179 L180 | Q174-Q176 PolarHBondContact O-N 3.46Å; Q174-Q176 VanDerWaalsContact O-N 3.08Å; Q176-S179 PolarHBondContact O-N 2.84Å; Q176-L180 PolarHBondContact O-N 2.93Å |
| 177 | Q | 94.4 | Very high | 94 | Very high | 114 Ų | 114 | 64.1 Ų | 64.1 | 53% | 0.533 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 178 | -175.1 | 177.2 | 6.1 | 0 | 0 | 110.9 | Q174 L180 L181 | Q174-Q177 HydrophobicContact CB-CB 4.46Å; Q174-Q177 PolarHBondContact O-N 3.26Å; Q177-L180 PolarHBondContact O-N 3.23Å; Q177-L181 PolarHBondContact O-N 2.98Å; Q177-L181 VanDerWaalsContact O-N 3.08Å |
| 178 | V | 93.9 | Very high | 94 | Very high | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.9 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | V162 F166 L171 Q174 R175 L180 L181 I182 I202 | V162-V178 HydrophobicContact CG1-CG1 4.02Å; F166-V178 HydrophobicContact CD1-CG2 4.17Å; F166-V178 HydrophobicContact CD2-CG2 3.97Å; F166-V178 HydrophobicContact CE1-CG2 4.19Å; F166-V178 HydrophobicContact CE2-CG2 4.01Å; F166-V178 HydrophobicContact CG-CG2 4.06Å; F166-V178 HydrophobicContact CZ-CG2 4.12Å; L171-V178 HydrophobicContact CD2-CG1 3.98Å; L171-V178 HydrophobicContact CD2-CG2 4.04Å; Q174-V178 WeakPolarHBondContact O-CG2 3.4Å; Q174-V178 PolarHBondContact O-N 3.06Å; Q174-V178 VanDerWaalsContact O-N 3.1Å; R175-V178 PolarHBondContact O-N 3.35Å; V178-L180 VanDerWaalsContact C-N 3.34Å; V178-L180 PolarHBondContact O-N 3.43Å; V178-L181 PolarHBondContact O-N 3.47Å; V178-I182 HydrophobicContact CG1-CD1 3.8Å; V178-I182 HydrophobicContact CG1-CG1 4.36Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.29Å; V178-I182 PolarHBondContact O-N 2.84Å; V178-I202 HydrophobicContact CG1-CD1 4.45Å |
| 179 | S | 93.5 | Very high | 94.1 | Very high | 15 Ų | 15 | 71.7 Ų | 71.7 | 11% | 0.105 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 178.6 | -168 | 0 | 0 | 0 | 0 | 112.6 | R175 Q176 R183 | R175-S179 WeakPolarHBondContact O-CB 3.36Å; R175-S179 PolarHBondContact O-N 3.41Å; Q176-S179 PolarHBondContact O-N 2.84Å; S179-R183 WeakPolarHBondContact O-CB 3.28Å; S179-R183 PolarHBondContact O-N 2.94Å |
| 180 | L | 94.4 | Very high | 94.3 | Very high | 111 Ų | 111 | 69 Ų | 69 | 58% | 0.581 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.8 | -42.2 | 176.3 | -173.5 | 151.9 | 0 | 0 | 0 | 111.2 | Q176 Q177 V178 R183 K184 | Q176-L180 PolarHBondContact O-N 2.93Å; Q177-L180 PolarHBondContact O-N 3.23Å; V178-L180 VanDerWaalsContact C-N 3.34Å; V178-L180 PolarHBondContact O-N 3.43Å; L180-R183 PolarHBondContact O-N 2.93Å; L180-K184 PolarHBondContact O-N 3Å |
| 181 | L | 95.2 | Very high | 94.2 | Very high | 48 Ų | 48 | 73 Ų | 73 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 178.5 | -160.8 | 158.4 | 0 | 0 | 0 | 111.3 | V162 F166 Q177 V178 R183 K184 M185 | V162-L181 HydrophobicContact CB-CD2 4.24Å; V162-L181 HydrophobicContact CG1-CD2 3.85Å; V162-L181 HydrophobicContact CG2-CD2 3.48Å; V162-L181 VanDerWaalsContact CG2-CD2 3.48Å; F166-L181 HydrophobicContact CE2-CD1 4.3Å; F166-L181 HydrophobicContact CZ-CD1 4.37Å; Q177-L181 PolarHBondContact O-N 2.98Å; Q177-L181 VanDerWaalsContact O-N 3.08Å; V178-L181 PolarHBondContact O-N 3.47Å; L181-R183 VanDerWaalsContact C-N 3.33Å; L181-R183 PolarHBondContact O-N 3.38Å; L181-K184 PolarHBondContact O-N 3.5Å; L181-M185 HydrophobicContact CD2-CE 3.91Å; L181-M185 HydrophobicContact CD2-CG 4.14Å; L181-M185 HydrophobicContact CD2-SD 3.72Å; L181-M185 PolarHBondContact O-N 2.94Å; L181-M185 VanDerWaalsContact O-N 3.08Å |
| 182 | I | 95.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 77.7 Ų | 77.7 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.9 | -48.9 | 173.3 | -69.6 | 167.5 | 0 | 0 | 0 | 110.2 | L124 L159 V162 V178 K184 M185 L186 V200 I202 | L124-I182 HydrophobicContact CD1-CG2 4.05Å; L159-I182 HydrophobicContact CD2-CD1 3.96Å; V162-I182 HydrophobicContact CB-CG1 3.99Å; V162-I182 HydrophobicContact CG1-CG1 3.85Å; V162-I182 HydrophobicContact CG2-CG1 3.82Å; V178-I182 HydrophobicContact CG1-CD1 3.8Å; V178-I182 HydrophobicContact CG1-CG1 4.36Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.29Å; V178-I182 PolarHBondContact O-N 2.84Å; I182-K184 PolarHBondContact O-N 3.12Å; I182-M185 PolarHBondContact O-N 3.41Å; I182-L186 HydrophobicContact CG2-CD1 3.55Å; I182-L186 HydrophobicContact CG2-CG 4.1Å; I182-L186 WeakPolarHBondContact O-CB 3.43Å; I182-L186 WeakPolarHBondContact O-CG 3.48Å; I182-L186 PolarHBondContact O-N 3.49Å; I182-V200 HydrophobicContact CG2-CG1 4.16Å; I182-I202 HydrophobicContact CD1-CD1 4.05Å; I182-I202 HydrophobicContact CD1-CG1 4.27Å |
| 183 | R | 95.3 | Very high | 94.4 | Very high | 103 Ų | 103 | 76.9 Ų | 76.9 | 39% | 0.389 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.6 | -48.6 | 178.8 | -178 | -175.6 | -60.6 | -149.4 | -7.1 | 111.5 | S179 L180 L181 M185 L186 V187 D199 V200 | S179-R183 WeakPolarHBondContact O-CB 3.28Å; S179-R183 PolarHBondContact O-N 2.94Å; L180-R183 PolarHBondContact O-N 2.93Å; L181-R183 VanDerWaalsContact C-N 3.33Å; L181-R183 PolarHBondContact O-N 3.38Å; R183-M185 PolarHBondContact O-N 2.85Å; R183-L186 PolarHBondContact O-N 2.97Å; R183-V187 HydrophobicContact CG-CG2 4.28Å; R183-V187 WeakPolarHBondContact O-CB 3.42Å; R183-V187 WeakPolarHBondContact O-CG2 3.23Å; R183-V187 PolarHBondContact O-N 3.38Å; R183-D199 IonicContact CZ-OD1 3.08Å; R183-D199 IonicContact NH1-OD1 3.41Å; R183-D199 IonicContact NH2-OD1 3.71Å; R183-D199 PolarHBondContact NH2-OD1 3.1Å; R183-V200 HydrophobicContact CB-CB 4.33Å; R183-V200 HydrophobicContact CG-CB 4.35Å; R183-V200 PolarHBondContact NH2-O 2.93Å |
| 184 | K | 95.7 | Very high | 94.4 | Very high | 146 Ų | 146 | 72.7 Ų | 72.7 | 64% | 0.635 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -57.8 | -49.9 | -179.3 | -174.8 | -178.8 | 177.1 | -177 | 0 | 111.4 | L180 L181 I182 V187 E188 | L180-K184 PolarHBondContact O-N 3Å; L181-K184 PolarHBondContact O-N 3.5Å; I182-K184 PolarHBondContact O-N 3.12Å; K184-V187 PolarHBondContact O-N 2.9Å; K184-E188 WeakPolarHBondContact O-CB 3.49Å; K184-E188 PolarHBondContact O-N 3.35Å; K184-E188 VanDerWaalsContact O-N 3.08Å |
| 185 | M | 95.6 | Very high | 94.4 | Very high | 40 Ų | 40 | 69.4 Ų | 69.4 | 20% | 0.197 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.8 | -36.7 | -178 | -61.7 | -164.3 | -31.1 | 0 | 0 | 112.3 | V158 S161 V162 L181 I182 R183 E188 R189 | V158-M185 HydrophobicContact CG1-CB 3.8Å; V158-M185 HydrophobicContact CG1-CE 3.75Å; V158-M185 HydrophobicContact CG2-CB 4.45Å; S161-M185 VanDerWaalsContact OG-CE 3.23Å; S161-M185 WeakPolarHBondContact OG-CE 3.41Å; V162-M185 HydrophobicContact CB-CE 4.36Å; V162-M185 HydrophobicContact CG2-CE 3.06Å; V162-M185 HydrophobicContact CG2-SD 4.42Å; L181-M185 HydrophobicContact CD2-CE 3.91Å; L181-M185 HydrophobicContact CD2-CG 4.14Å; L181-M185 HydrophobicContact CD2-SD 3.72Å; L181-M185 PolarHBondContact O-N 2.94Å; L181-M185 VanDerWaalsContact O-N 3.08Å; I182-M185 PolarHBondContact O-N 3.41Å; R183-M185 PolarHBondContact O-N 2.85Å; M185-E188 PolarHBondContact O-N 3.35Å; M185-R189 VanDerWaalsContact O-CG 3.28Å; M185-R189 WeakPolarHBondContact O-CG 3.35Å; M185-R189 PolarHBondContact O-N 3.06Å |
| 186 | L | 95.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 174.4 | -77.8 | 177.7 | 0 | 0 | 0 | 112.3 | L124 I154 V158 I182 R183 E188 R189 A190 L197 V200 | L124-L186 HydrophobicContact CD1-CD1 4.14Å; I154-L186 HydrophobicContact CG2-CD2 3.88Å; V158-L186 HydrophobicContact CB-CD2 3.61Å; V158-L186 HydrophobicContact CB-CG 4.07Å; V158-L186 HydrophobicContact CG1-CD2 3.95Å; V158-L186 HydrophobicContact CG1-CG 3.82Å; V158-L186 HydrophobicContact CG2-CD2 3.73Å; V158-L186 HydrophobicContact CG2-CG 4.34Å; I182-L186 HydrophobicContact CG2-CD1 3.55Å; I182-L186 HydrophobicContact CG2-CG 4.1Å; I182-L186 WeakPolarHBondContact O-CB 3.43Å; I182-L186 WeakPolarHBondContact O-CG 3.48Å; I182-L186 PolarHBondContact O-N 3.49Å; R183-L186 PolarHBondContact O-N 2.97Å; L186-E188 VanDerWaalsContact C-N 3.31Å; L186-E188 PolarHBondContact O-N 2.94Å; L186-R189 PolarHBondContact O-N 3.32Å; L186-A190 WeakPolarHBondContact O-CB 3.44Å; L186-A190 PolarHBondContact O-N 3.31Å; L186-L197 HydrophobicContact CB-CD1 3.79Å; L186-V200 HydrophobicContact CD1-CG1 3.7Å; L186-V200 HydrophobicContact CD1-CG2 4.16Å |
| 187 | V | 95.7 | Very high | 94.6 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 29% | 0.285 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 176.7 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | R183 K184 K191 L197 | R183-V187 HydrophobicContact CG-CG2 4.28Å; R183-V187 WeakPolarHBondContact O-CB 3.42Å; R183-V187 WeakPolarHBondContact O-CG2 3.23Å; R183-V187 PolarHBondContact O-N 3.38Å; K184-V187 PolarHBondContact O-N 2.9Å; V187-K191 WeakPolarHBondContact O-CG 3.2Å; V187-K191 PolarHBondContact O-N 3.24Å; V187-L197 HydrophobicContact CG2-CB 4.23Å |
| 188 | E | 95.4 | Very high | 94.5 | Very high | 122 Ų | 122 | 58.4 Ų | 58.4 | 57% | 0.57 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.9 | -48 | 176.3 | -171.7 | 169.7 | -165.5 | 0 | 0 | 111.8 | K184 M185 L186 A190 K191 | K184-E188 WeakPolarHBondContact O-CB 3.49Å; K184-E188 PolarHBondContact O-N 3.35Å; K184-E188 VanDerWaalsContact O-N 3.08Å; M185-E188 PolarHBondContact O-N 3.35Å; L186-E188 VanDerWaalsContact C-N 3.31Å; L186-E188 PolarHBondContact O-N 2.94Å; E188-A190 PolarHBondContact O-N 3.07Å; E188-K191 WeakPolarHBondContact O-CB 3.46Å; E188-K191 PolarHBondContact O-N 2.94Å |
| 189 | R | 95 | Very high | 94.5 | Very high | 90 Ų | 90 | 60.2 Ų | 60.2 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.6 | -33.7 | 178.1 | -61.6 | -64.1 | -98.7 | 150.3 | -9.6 | 113.2 | I154 E157 V158 M185 L186 K191 D192 F193 | I154-R189 HydrophobicContact CG2-CB 3.54Å; I154-R189 HydrophobicContact CG2-CG 4.36Å; E157-R189 IonicContact OE1-CZ 3.03Å; E157-R189 IonicContact OE1-NE 3.06Å; E157-R189 PolarHBondContact OE1-NE 3.29Å; E157-R189 IonicContact OE1-NH2 2.72Å; E157-R189 PolarHBondContact OE1-NH2 2.96Å; E157-R189 IonicContact OE2-NH2 3.3Å; E157-R189 PolarHBondContact OE2-NH2 3.39Å; V158-R189 HydrophobicContact CG2-CG 3.93Å; M185-R189 VanDerWaalsContact O-CG 3.28Å; M185-R189 WeakPolarHBondContact O-CG 3.35Å; M185-R189 PolarHBondContact O-N 3.06Å; L186-R189 PolarHBondContact O-N 3.32Å; R189-K191 VanDerWaalsContact C-N 3.3Å; R189-K191 PolarHBondContact O-N 3.47Å; R189-D192 IonicContact NH1-OD2 3.6Å; R189-D192 PolarHBondContact O-N 2.96Å; R189-F193 WeakPolarHBondContact O-CD2 3.47Å |
| 190 | A | 94.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.6 | -28.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | L186 E188 D192 F193 N194 I195 L197 | L186-A190 WeakPolarHBondContact O-CB 3.44Å; L186-A190 PolarHBondContact O-N 3.31Å; E188-A190 PolarHBondContact O-N 3.07Å; A190-D192 VanDerWaalsContact C-N 3.29Å; A190-D192 PolarHBondContact O-N 3.19Å; A190-F193 PolarHBondContact O-N 2.91Å; A190-F193 VanDerWaalsContact O-N 3.15Å; A190-N194 PolarHBondContact O-N 3.04Å; A190-I195 CarbonylContact C-O 3.56Å; A190-I195 HydrophobicContact CB-CB 4.4Å; A190-I195 PolarHBondContact O-N 3.48Å; A190-I195 VanDerWaalsContact O-N 3.09Å; A190-L197 HydrophobicContact CB-CD1 3.84Å; A190-L197 HydrophobicContact CB-CD2 4.32Å; A190-L197 HydrophobicContact CB-CG 3.77Å |
| 191 | K | 93.3 | Very high | 94.4 | Very high | 144 Ų | 144 | 55.5 Ų | 55.5 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.8 | -35.9 | 175.6 | -76.6 | 173 | -179.6 | -174.9 | 0 | 112.7 | V187 E188 R189 F193 N194 | V187-K191 WeakPolarHBondContact O-CG 3.2Å; V187-K191 PolarHBondContact O-N 3.24Å; E188-K191 WeakPolarHBondContact O-CB 3.46Å; E188-K191 PolarHBondContact O-N 2.94Å; R189-K191 VanDerWaalsContact C-N 3.3Å; R189-K191 PolarHBondContact O-N 3.47Å; K191-F193 PolarHBondContact O-N 3.05Å; K191-F193 VanDerWaalsContact O-N 3.16Å; K191-N194 PolarHBondContact O-N 3.38Å |
| 192 | D | 92.5 | Very high | 94.3 | Very high | 101 Ų | 101 | 53.8 Ų | 53.8 | 54% | 0.54 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.8 | -30 | 177.9 | -64.1 | -25.8 | 0 | 0 | 0 | 112.1 | R189 A190 | R189-D192 IonicContact NH1-OD2 3.6Å; R189-D192 PolarHBondContact O-N 2.96Å; A190-D192 VanDerWaalsContact C-N 3.29Å; A190-D192 PolarHBondContact O-N 3.19Å |
| 193 | F | 93.1 | Very high | 94.2 | Very high | 74 Ų | 74 | 56.7 Ų | 56.7 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 3.9 | 179.8 | -61.3 | -84.7 | 0 | 0 | 0 | 113.5 | L142 V150 I154 R189 A190 K191 I195 | L142-F193 HydrophobicContact CD1-CB 4.39Å; L142-F193 HydrophobicContact CD1-CD1 4.47Å; L142-F193 HydrophobicContact CD2-CD1 4.24Å; V150-F193 HydrophobicContact CG1-CB 4.33Å; V150-F193 HydrophobicContact CG1-CD1 4.03Å; V150-F193 HydrophobicContact CG1-CD2 4.02Å; V150-F193 HydrophobicContact CG1-CE1 4.33Å; V150-F193 HydrophobicContact CG1-CE2 4.33Å; V150-F193 HydrophobicContact CG1-CG 3.84Å; V150-F193 HydrophobicContact CG1-CZ 4.46Å; V150-F193 HydrophobicContact CG2-CD1 4.4Å; I154-F193 HydrophobicContact CD1-CD2 3.35Å; I154-F193 HydrophobicContact CD1-CE2 3.42Å; I154-F193 VanDerWaalsContact CD1-CE2 3.42Å; I154-F193 HydrophobicContact CD1-CG 4.27Å; I154-F193 HydrophobicContact CD1-CZ 4.39Å; I154-F193 HydrophobicContact CG1-CD2 4.4Å; I154-F193 HydrophobicContact CG1-CE2 4Å; R189-F193 WeakPolarHBondContact O-CD2 3.47Å; A190-F193 PolarHBondContact O-N 2.91Å; A190-F193 VanDerWaalsContact O-N 3.15Å; K191-F193 PolarHBondContact O-N 3.05Å; K191-F193 VanDerWaalsContact O-N 3.16Å; F193-I195 VanDerWaalsContact C-N 3.26Å; F193-I195 HydrophobicContact CB-CD1 3.9Å; F193-I195 HydrophobicContact CB-CG1 4.2Å; F193-I195 PolarHBondContact O-N 3.4Å |
| 194 | N | 93.6 | Very high | 94.1 | Very high | 23 Ų | 23 | 57.5 Ų | 57.5 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 35.5 | -175.2 | -41.8 | -82 | 0 | 0 | 0 | 113 | D131 F134 I138 A190 K191 | D131-N194 HydrophobicContact CB-CB 4.43Å; D131-N194 VanDerWaalsContact CB-O 3.3Å; D131-N194 WeakPolarHBondContact CB-O 3.48Å; D131-N194 PolarHBondContact N-O 3.25Å; F134-N194 HydrophobicContact CB-CB 3.64Å; F134-N194 HydrophobicContact CD2-CB 4.12Å; F134-N194 HydrophobicContact CG-CB 4.04Å; I138-N194 HydrophobicContact CD1-CB 4.16Å; I138-N194 WeakPolarHBondContact CD1-O 3.42Å; I138-N194 HydrophobicContact CG1-CB 4.19Å; A190-N194 PolarHBondContact O-N 3.04Å; K191-N194 PolarHBondContact O-N 3.38Å |
| 195 | I | 94.2 | Very high | 93.9 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133.7 | 175.3 | -62.5 | 165.5 | 0 | 0 | 0 | 108.3 | L142 W146 V150 A190 F193 L197 | L142-I195 HydrophobicContact CD1-CD1 4.31Å; W146-I195 HydrophobicContact CE3-CD1 3.55Å; W146-I195 HydrophobicContact CE3-CG1 3.69Å; W146-I195 HydrophobicContact CE3-CG2 4.27Å; W146-I195 HydrophobicContact CH2-CG2 4.28Å; W146-I195 HydrophobicContact CZ3-CB 4.32Å; W146-I195 HydrophobicContact CZ3-CD1 3.88Å; W146-I195 HydrophobicContact CZ3-CG1 3.85Å; W146-I195 HydrophobicContact CZ3-CG2 3.52Å; V150-I195 HydrophobicContact CB-CD1 4.27Å; V150-I195 HydrophobicContact CG1-CD1 4.05Å; A190-I195 CarbonylContact C-O 3.56Å; A190-I195 HydrophobicContact CB-CB 4.4Å; A190-I195 PolarHBondContact O-N 3.48Å; A190-I195 VanDerWaalsContact O-N 3.09Å; F193-I195 VanDerWaalsContact C-N 3.26Å; F193-I195 HydrophobicContact CB-CD1 3.9Å; F193-I195 HydrophobicContact CB-CG1 4.2Å; F193-I195 PolarHBondContact O-N 3.4Å; I195-L197 HydrophobicContact CG2-CD2 4.05Å |
| 196 | I | 94.6 | Very high | 93.8 | Very high | 48 Ų | 48 | 52.3 Ų | 52.3 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126 | 177.2 | -58.8 | 167.8 | 0 | 0 | 0 | 108.4 | S128 R129 D131 | S128-I196 WeakPolarHBondContact CA-O 3.44Å; R129-I196 HydrophobicContact CG-CB 3.99Å; R129-I196 HydrophobicContact CG-CG2 4.43Å; R129-I196 PolarHBondContact N-O 3.33Å; R129-I196 PolarHBondContact O-N 3.25Å; D131-I196 HydrophobicContact CB-CD1 3.94Å; D131-I196 HydrophobicContact CB-CG1 4.25Å |
| 197 | L | 95.2 | Very high | 93.6 | Very high | 23 Ų | 23 | 54.2 Ų | 54.2 | 12% | 0.12 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 110.9 | 172.9 | -54.6 | -174.7 | 0 | 0 | 0 | 108.7 | V126 L127 L151 L186 V187 A190 I195 V200 | V126-L197 HydrophobicContact CG1-CD1 4.38Å; V126-L197 HydrophobicContact CG1-CD2 3.61Å; V126-L197 HydrophobicContact CG1-CG 4.47Å; L127-L197 CarbonylContact O-C 3.51Å; L127-L197 WeakPolarHBondContact O-CA 3.48Å; L151-L197 HydrophobicContact CD2-CD2 4.2Å; L186-L197 HydrophobicContact CB-CD1 3.79Å; V187-L197 HydrophobicContact CG2-CB 4.23Å; A190-L197 HydrophobicContact CB-CD1 3.84Å; A190-L197 HydrophobicContact CB-CD2 4.32Å; A190-L197 HydrophobicContact CB-CG 3.77Å; I195-L197 HydrophobicContact CG2-CD2 4.05Å; L197-V200 HydrophobicContact CB-CG2 4.39Å; L197-V200 HydrophobicContact CD1-CG2 4.07Å |
| 198 | D | 93.1 | Very high | 93.3 | Very high | 78 Ų | 78 | 53.4 Ų | 53.4 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -36 | 180 | -63.8 | -40.8 | 0 | 0 | 0 | 111 | A103 L127 R129 | A103-D198 VanDerWaalsContact CB-OD2 3.29Å; A103-D198 WeakPolarHBondContact CB-OD2 3.47Å; L127-D198 HydrophobicContact CB-CB 4.45Å; L127-D198 PolarHBondContact O-N 3.24Å; R129-D198 WeakPolarHBondContact CD-OD2 3.39Å; R129-D198 IonicContact CZ-OD1 3.26Å; R129-D198 IonicContact NE-OD1 3.39Å; R129-D198 PolarHBondContact NE-OD1 3.48Å; R129-D198 VanDerWaalsContact NE-OD1 3.08Å; R129-D198 IonicContact NE-OD2 3.46Å; R129-D198 PolarHBondContact NE-OD2 3.26Å; R129-D198 IonicContact NH2-OD1 2.68Å |
| 199 | D | 93.5 | Very high | 93.1 | Very high | 41 Ų | 41 | 57.2 Ų | 57.2 | 22% | 0.219 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 147.7 | 175.9 | -175.5 | 38.2 | 0 | 0 | 0 | 111.9 | R125 L127 R183 | R125-D199 IonicContact CZ-OD2 3.05Å; R125-D199 IonicContact NH1-OD2 3.9Å; R125-D199 IonicContact NH2-OD2 3.5Å; R125-D199 PolarHBondContact NH2-OD2 3.45Å; L127-D199 HydrophobicContact CB-CB 4.19Å; L127-D199 HydrophobicContact CD1-CB 3.82Å; L127-D199 PolarHBondContact N-O 2.92Å; R183-D199 IonicContact CZ-OD1 3.08Å; R183-D199 IonicContact NH1-OD1 3.41Å; R183-D199 IonicContact NH2-OD1 3.71Å; R183-D199 PolarHBondContact NH2-OD1 3.1Å |
| 200 | V | 94 | Very high | 92.9 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 125.8 | 173.3 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | V126 I182 R183 L186 L197 | V126-V200 HydrophobicContact CG1-CG2 4.3Å; V126-V200 HydrophobicContact CG2-CG1 4.39Å; V126-V200 HydrophobicContact CG2-CG2 4.38Å; I182-V200 HydrophobicContact CG2-CG1 4.16Å; R183-V200 HydrophobicContact CB-CB 4.33Å; R183-V200 HydrophobicContact CG-CB 4.35Å; R183-V200 PolarHBondContact NH2-O 2.93Å; L186-V200 HydrophobicContact CD1-CG1 3.7Å; L186-V200 HydrophobicContact CD1-CG2 4.16Å; L197-V200 HydrophobicContact CB-CG2 4.39Å; L197-V200 HydrophobicContact CD1-CG2 4.07Å |
| 201 | S | 92.2 | Very high | 92.8 | Very high | 25 Ų | 25 | 61.4 Ų | 61.4 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 139.4 | 178.3 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | L124 R125 T203 | L124-S201 WeakPolarHBondContact CA-O 3.39Å; R125-S201 PolarHBondContact N-O 3.42Å; R125-S201 PolarHBondContact NE-OG 3.38Å; R125-S201 PolarHBondContact NH2-OG 3.1Å; R125-S201 PolarHBondContact O-N 3.3Å; S201-T203 PolarHBondContact O-N 3.02Å |
| 202 | I | 93.3 | Very high | 92.6 | Very high | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 125.4 | 166.2 | -57.8 | 166 | 0 | 0 | 0 | 106.8 | I122 S123 L124 R175 V178 I182 | I122-I202 HydrophobicContact CG2-CG2 4.07Å; S123-I202 CarbonylContact O-C 3.58Å; L124-I202 HydrophobicContact CD2-CB 4.13Å; L124-I202 HydrophobicContact CD2-CG1 3.54Å; R175-I202 HydrophobicContact CG-CD1 4.21Å; R175-I202 PolarHBondContact NH2-O 3.46Å; V178-I202 HydrophobicContact CG1-CD1 4.45Å; I182-I202 HydrophobicContact CD1-CD1 4.05Å; I182-I202 HydrophobicContact CD1-CG1 4.27Å |
| 203 | T | 93 | Very high | 92.7 | Very high | 62 Ų | 62 | 58.1 Ų | 58.1 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -52.2 | 174.4 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | S123 R125 R175 S201 | S123-T203 WeakPolarHBondContact CB-OG1 3.5Å; S123-T203 PolarHBondContact O-N 2.91Å; S123-T203 PolarHBondContact O-OG1 2.77Å; R125-T203 HydrophobicContact CB-CG2 3.49Å; R125-T203 VanDerWaalsContact CB-CG2 3.49Å; R175-T203 PolarHBondContact NH2-O 2.67Å; S201-T203 PolarHBondContact O-N 3.02Å |
| 204 | E | 93.1 | Very high | 92.6 | Very high | 120 Ų | 120 | 57.3 Ų | 57.3 | 56% | 0.561 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.4 | -173.7 | -172.9 | 176.4 | -178.9 | 0 | 0 | 109.9 | S123 | S123-E204 PolarHBondContact N-O 3.35Å |
| 205 | L | 91.9 | Very high | 92.5 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 111.7 | 177.6 | -174.7 | 119.3 | 0 | 0 | 0 | 107.5 | V120 I122 L171 I172 F207 | V120-L205 HydrophobicContact CG1-CD1 4.13Å; V120-L205 HydrophobicContact CG1-CG 4.03Å; I122-L205 HydrophobicContact CD1-CD1 4.05Å; I122-L205 HydrophobicContact CG1-CD1 3.86Å; L171-L205 HydrophobicContact CB-CD1 4.01Å; L171-L205 HydrophobicContact CB-CD2 4.18Å; L171-L205 HydrophobicContact CD1-CD1 4.47Å; I172-L205 HydrophobicContact CG1-CD2 4.24Å; L205-F207 HydrophobicContact CD2-CE1 4.18Å; L205-F207 HydrophobicContact CD2-CE2 3.45Å; L205-F207 VanDerWaalsContact CD2-CE2 3.45Å; L205-F207 HydrophobicContact CD2-CZ 3.26Å; L205-F207 HydrophobicContact CG-CZ 4.33Å |
| 206 | S | 92.3 | Very high | 92.3 | Very high | 38 Ų | 38 | 64.3 Ų | 64.3 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 147.9 | -178.9 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | V120 N121 | V120-S206 WeakPolarHBondContact CA-O 3.47Å; V120-S206 WeakPolarHBondContact CG1-O 3.47Å; N121-S206 WeakPolarHBondContact CB-OG 3.33Å; N121-S206 PolarHBondContact N-O 3.05Å; N121-S206 PolarHBondContact O-N 3.08Å; N121-S206 PolarHBondContact O-OG 3.31Å |
| 207 | F | 91.3 | Very high | 92.4 | Very high | 43 Ų | 43 | 64.9 Ų | 64.9 | 19% | 0.189 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 164.2 | 178.9 | -58.6 | -82.2 | 0 | 0 | 0 | 110 | V120 A168 I172 L205 Y211 | V120-F207 HydrophobicContact CB-CD1 4.46Å; V120-F207 HydrophobicContact CG1-CD1 4.1Å; V120-F207 HydrophobicContact CG1-CE1 3.91Å; V120-F207 HydrophobicContact CG2-CD1 3.83Å; V120-F207 HydrophobicContact CG2-CE1 3.82Å; A168-F207 HydrophobicContact CB-CD1 4.1Å; A168-F207 HydrophobicContact CB-CE1 3.66Å; A168-F207 WeakPolarHBondContact O-CZ 3.37Å; I172-F207 HydrophobicContact CD1-CD2 4.38Å; I172-F207 HydrophobicContact CD1-CE2 3.41Å; I172-F207 VanDerWaalsContact CD1-CE2 3.41Å; I172-F207 HydrophobicContact CD1-CZ 3.69Å; I172-F207 HydrophobicContact CG1-CE2 3.5Å; I172-F207 HydrophobicContact CG1-CZ 3.44Å; I172-F207 VanDerWaalsContact CG1-CZ 3.44Å; L205-F207 HydrophobicContact CD2-CE1 4.18Å; L205-F207 HydrophobicContact CD2-CE2 3.45Å; L205-F207 VanDerWaalsContact CD2-CE2 3.45Å; L205-F207 HydrophobicContact CD2-CZ 3.26Å; L205-F207 HydrophobicContact CG-CZ 4.33Å; F207-Y211 HydrophobicContact CB-CD1 3.82Å; F207-Y211 AromaticContact CD1-CD1 3.94Å; F207-Y211 HydrophobicContact CD1-CD1 3.94Å; F207-Y211 HydrophobicContact CD1-CE1 4.04Å; F207-Y211 HydrophobicContact CE1-CE1 4.35Å; F207-Y211 AromaticContact CG-CD1 3.84Å; F207-Y211 HydrophobicContact CG-CD1 3.84Å; F207-Y211 HydrophobicContact CG-CE1 4.21Å |
| 208 | G | 89.5 | Confident | 92.4 | Very high | 30 Ų | 30 | 71.5 Ų | 71.5 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | trans | -52.7 | 146.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E210 Y211 A212 | G208-E210 PolarHBondContact O-N 3.43Å; G208-Y211 PolarHBondContact O-N 2.86Å; G208-A212 PolarHBondContact O-N 2.93Å; G208-A212 VanDerWaalsContact O-N 3.07Å | ||
| 209 | R | 91.5 | Very high | 92.4 | Very high | 202 Ų | 202 | 74.1 Ų | 74.1 | 76% | 0.762 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.5 | -37.9 | -175.4 | -67.6 | -176.9 | 177.2 | -169.6 | -0.5 | 111.3 | A212 Q213 | R209-A212 PolarHBondContact O-N 3.32Å; R209-Q213 WeakPolarHBondContact O-CB 3.39Å; R209-Q213 VanDerWaalsContact O-CG 3.27Å; R209-Q213 WeakPolarHBondContact O-CG 3.36Å; R209-Q213 PolarHBondContact O-N 3.33Å |
| 210 | E | 91.3 | Very high | 92.6 | Very high | 141 Ų | 141 | 75.3 Ų | 75.3 | 66% | 0.659 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.2 | -42.5 | 179.8 | -58.5 | 72.9 | -159.9 | 0 | 0 | 111.1 | G208 A214 | G208-E210 PolarHBondContact O-N 3.43Å; E210-A214 VanDerWaalsContact O-CB 3.29Å; E210-A214 WeakPolarHBondContact O-CB 3.34Å; E210-A214 PolarHBondContact O-N 2.81Å |
| 211 | Y | 91.7 | Very high | 92.7 | Very high | 39 Ų | 39 | 77.8 Ų | 77.8 | 15% | 0.153 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.7 | -44.7 | 176.9 | -176.8 | -95.2 | 0 | 0 | 0 | 111.4 | Q118 A168 S169 F207 G208 Q213 A214 V215 | Q118-Y211 HydrophobicContact CG-CD2 3.91Å; Q118-Y211 HydrophobicContact CG-CE2 4.06Å; A168-Y211 HydrophobicContact CB-CE1 3.93Å; A168-Y211 HydrophobicContact CB-CE2 4.19Å; A168-Y211 WeakPolarHBondContact CB-OH 3.41Å; S169-Y211 PolarHBondContact N-OH 3.46Å; F207-Y211 HydrophobicContact CB-CD1 3.82Å; F207-Y211 AromaticContact CD1-CD1 3.94Å; F207-Y211 HydrophobicContact CD1-CD1 3.94Å; F207-Y211 HydrophobicContact CD1-CE1 4.04Å; F207-Y211 HydrophobicContact CE1-CE1 4.35Å; F207-Y211 AromaticContact CG-CD1 3.84Å; F207-Y211 HydrophobicContact CG-CD1 3.84Å; F207-Y211 HydrophobicContact CG-CE1 4.21Å; G208-Y211 PolarHBondContact O-N 2.86Å; Y211-Q213 PolarHBondContact O-N 3.04Å; Y211-A214 PolarHBondContact O-N 2.89Å; Y211-V215 HydrophobicContact CD1-CG2 3.97Å; Y211-V215 HydrophobicContact CE1-CG2 3.55Å; Y211-V215 HydrophobicContact CE2-CG2 4.25Å; Y211-V215 HydrophobicContact CG-CG2 4.49Å; Y211-V215 WeakPolarHBondContact O-CG2 3.42Å; Y211-V215 PolarHBondContact O-N 2.82Å |
| 212 | A | 90.5 | Very high | 93 | Very high | 48 Ų | 48 | 79.4 Ų | 79.4 | 40% | 0.397 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G208 R209 A214 V215 E216 | G208-A212 PolarHBondContact O-N 2.93Å; G208-A212 VanDerWaalsContact O-N 3.07Å; R209-A212 PolarHBondContact O-N 3.32Å; A212-A214 PolarHBondContact O-N 3.21Å; A212-V215 PolarHBondContact O-N 3.36Å; A212-E216 WeakPolarHBondContact O-CB 3.06Å; A212-E216 PolarHBondContact O-N 3.47Å |
| 213 | Q | 93.5 | Very high | 93.2 | Very high | 128 Ų | 128 | 83.3 Ų | 83.3 | 60% | 0.598 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 175.1 | -73.3 | 175.3 | -0.7 | 0 | 0 | 112.2 | R209 Y211 E216 A217 | R209-Q213 WeakPolarHBondContact O-CB 3.39Å; R209-Q213 VanDerWaalsContact O-CG 3.27Å; R209-Q213 WeakPolarHBondContact O-CG 3.36Å; R209-Q213 PolarHBondContact O-N 3.33Å; Y211-Q213 PolarHBondContact O-N 3.04Å; Q213-E216 PolarHBondContact O-N 3.14Å; Q213-A217 VanDerWaalsContact O-CB 3.26Å; Q213-A217 WeakPolarHBondContact O-CB 3.22Å; Q213-A217 PolarHBondContact O-N 2.87Å |
| 214 | A | 92 | Very high | 93.4 | Very high | 58 Ų | 58 | 86 Ų | 86 | 48% | 0.479 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E210 Y211 A212 K218 | E210-A214 VanDerWaalsContact O-CB 3.29Å; E210-A214 WeakPolarHBondContact O-CB 3.34Å; E210-A214 PolarHBondContact O-N 2.81Å; Y211-A214 PolarHBondContact O-N 2.89Å; A212-A214 PolarHBondContact O-N 3.21Å; A214-K218 VanDerWaalsContact O-CB 3.28Å; A214-K218 WeakPolarHBondContact O-CB 3.19Å; A214-K218 PolarHBondContact O-N 3.36Å |
| 215 | V | 90.1 | Very high | 93.6 | Very high | 44 Ų | 44 | 83.2 Ų | 83.2 | 27% | 0.267 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | Y211 A212 K218 Q219 | Y211-V215 HydrophobicContact CD1-CG2 3.97Å; Y211-V215 HydrophobicContact CE1-CG2 3.55Å; Y211-V215 HydrophobicContact CE2-CG2 4.25Å; Y211-V215 HydrophobicContact CG-CG2 4.49Å; Y211-V215 WeakPolarHBondContact O-CG2 3.42Å; Y211-V215 PolarHBondContact O-N 2.82Å; A212-V215 PolarHBondContact O-N 3.36Å; V215-K218 PolarHBondContact O-N 2.93Å; V215-Q219 WeakPolarHBondContact O-CG 3.43Å; V215-Q219 PolarHBondContact O-N 3.22Å |
| 216 | E | 91.3 | Very high | 93.9 | Very high | 130 Ų | 130 | 88.2 Ų | 88.2 | 61% | 0.607 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.3 | -49.2 | 175.9 | -174.2 | 175.3 | -167 | 0 | 0 | 111.1 | A212 Q213 K218 Q219 V220 | A212-E216 WeakPolarHBondContact O-CB 3.06Å; A212-E216 PolarHBondContact O-N 3.47Å; Q213-E216 PolarHBondContact O-N 3.14Å; E216-K218 VanDerWaalsContact C-N 3.29Å; E216-K218 PolarHBondContact O-N 3.19Å; E216-Q219 WeakPolarHBondContact O-CB 3.23Å; E216-Q219 PolarHBondContact O-N 3.11Å; E216-V220 WeakPolarHBondContact O-CG2 3.5Å; E216-V220 PolarHBondContact O-N 2.81Å |
| 217 | A | 96 | Very high | 94.1 | Very high | 60 Ų | 60 | 93.7 Ų | 93.7 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.7 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q213 V220 A221 | Q213-A217 VanDerWaalsContact O-CB 3.26Å; Q213-A217 WeakPolarHBondContact O-CB 3.22Å; Q213-A217 PolarHBondContact O-N 2.87Å; A217-V220 PolarHBondContact O-N 3.48Å; A217-A221 WeakPolarHBondContact O-CB 3.22Å; A217-A221 PolarHBondContact O-N 3.24Å |
| 218 | K | 94.4 | Very high | 94.4 | Very high | 163 Ų | 163 | 94.3 Ų | 94.3 | 71% | 0.709 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.5 | -38.7 | 175 | -176.5 | 174.4 | -177.9 | 173.4 | 0 | 112.2 | A214 V215 E216 A222 | A214-K218 VanDerWaalsContact O-CB 3.28Å; A214-K218 WeakPolarHBondContact O-CB 3.19Å; A214-K218 PolarHBondContact O-N 3.36Å; V215-K218 PolarHBondContact O-N 2.93Å; E216-K218 VanDerWaalsContact C-N 3.29Å; E216-K218 PolarHBondContact O-N 3.19Å; K218-A222 VanDerWaalsContact O-CB 3.3Å; K218-A222 WeakPolarHBondContact O-CB 3.42Å; K218-A222 PolarHBondContact O-N 2.97Å |
| 219 | Q | 94.2 | Very high | 94.8 | Very high | 133 Ų | 133 | 95.8 Ų | 95.8 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.6 | -42.4 | 176.1 | -73.1 | -178.7 | 6.4 | 0 | 0 | 111.4 | V215 E216 A222 Q223 | V215-Q219 WeakPolarHBondContact O-CG 3.43Å; V215-Q219 PolarHBondContact O-N 3.22Å; E216-Q219 WeakPolarHBondContact O-CB 3.23Å; E216-Q219 PolarHBondContact O-N 3.11Å; Q219-A222 PolarHBondContact O-N 3.36Å; Q219-Q223 WeakPolarHBondContact O-CB 3.44Å; Q219-Q223 PolarHBondContact O-N 3.12Å |
| 220 | V | 96.9 | Very high | 95.1 | Very high | 65 Ų | 65 | 93 Ų | 93 | 39% | 0.394 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -50.1 | 174.9 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | E216 A217 A222 Q223 E224 | E216-V220 WeakPolarHBondContact O-CG2 3.5Å; E216-V220 PolarHBondContact O-N 2.81Å; A217-V220 PolarHBondContact O-N 3.48Å; V220-A222 VanDerWaalsContact C-N 3.33Å; V220-A222 PolarHBondContact O-N 2.71Å; V220-Q223 WeakPolarHBondContact O-CB 3.09Å; V220-Q223 PolarHBondContact O-N 2.67Å; V220-Q223 VanDerWaalsContact O-N 3.12Å; V220-E224 HydrophobicContact CG1-CG 4.41Å; V220-E224 WeakPolarHBondContact O-CG 3.16Å; V220-E224 PolarHBondContact O-N 3.42Å |
| 221 | A | 97.2 | Very high | 95.4 | Very high | 54 Ų | 54 | 94.5 Ų | 94.5 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A217 E224 A225 | A217-A221 WeakPolarHBondContact O-CB 3.22Å; A217-A221 PolarHBondContact O-N 3.24Å; A221-E224 PolarHBondContact O-N 3.39Å; A221-A225 WeakPolarHBondContact O-CB 3.31Å; A221-A225 PolarHBondContact O-N 3.45Å |
| 222 | A | 97.1 | Very high | 95.6 | Very high | 58 Ų | 58 | 96.3 Ų | 96.3 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K218 Q219 V220 A225 Q226 | K218-A222 VanDerWaalsContact O-CB 3.3Å; K218-A222 WeakPolarHBondContact O-CB 3.42Å; K218-A222 PolarHBondContact O-N 2.97Å; Q219-A222 PolarHBondContact O-N 3.36Å; V220-A222 VanDerWaalsContact C-N 3.33Å; V220-A222 PolarHBondContact O-N 2.71Å; A222-A225 PolarHBondContact O-N 3.1Å; A222-Q226 WeakPolarHBondContact O-CB 3.29Å; A222-Q226 PolarHBondContact O-N 3.19Å |
| 223 | Q | 97.4 | Very high | 96 | Very high | 94 Ų | 94 | 98.2 Ų | 98.2 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 175.8 | -171.3 | 178 | 34.1 | 0 | 0 | 111.6 | Q219 V220 Q226 R227 | Q219-Q223 WeakPolarHBondContact O-CB 3.44Å; Q219-Q223 PolarHBondContact O-N 3.12Å; V220-Q223 WeakPolarHBondContact O-CB 3.09Å; V220-Q223 PolarHBondContact O-N 2.67Å; V220-Q223 VanDerWaalsContact O-N 3.12Å; Q223-Q226 PolarHBondContact O-N 2.89Å; Q223-R227 VanDerWaalsContact CD-NH2 3.32Å; Q223-R227 WeakPolarHBondContact O-CB 3.41Å; Q223-R227 VanDerWaalsContact O-CG 3.29Å; Q223-R227 WeakPolarHBondContact O-CG 3.36Å; Q223-R227 PolarHBondContact O-N 3.03Å |
| 224 | E | 97.5 | Very high | 96.2 | Very high | 118 Ų | 118 | 98.4 Ų | 98.4 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.7 | -45 | 175.4 | -74 | 179.3 | 173 | 0 | 0 | 111.7 | V220 A221 Q226 R227 A228 | V220-E224 HydrophobicContact CG1-CG 4.41Å; V220-E224 WeakPolarHBondContact O-CG 3.16Å; V220-E224 PolarHBondContact O-N 3.42Å; A221-E224 PolarHBondContact O-N 3.39Å; E224-Q226 VanDerWaalsContact C-N 3.33Å; E224-Q226 PolarHBondContact O-N 3.36Å; E224-R227 PolarHBondContact O-N 2.87Å; E224-A228 WeakPolarHBondContact O-CB 3.37Å; E224-A228 PolarHBondContact O-N 2.94Å |
| 225 | A | 97.7 | Very high | 96.5 | Very high | 62 Ų | 62 | 97.8 Ų | 97.8 | 51% | 0.512 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A221 A222 A228 A229 | A221-A225 WeakPolarHBondContact O-CB 3.31Å; A221-A225 PolarHBondContact O-N 3.45Å; A222-A225 PolarHBondContact O-N 3.1Å; A225-A228 PolarHBondContact O-N 2.82Å; A225-A229 WeakPolarHBondContact O-CB 3.19Å; A225-A229 PolarHBondContact O-N 3.04Å |
| 226 | Q | 97.8 | Very high | 96.8 | Very high | 145 Ų | 145 | 101.2 Ų | 101.2 | 68% | 0.678 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -41.3 | 176.2 | -171.5 | 177.9 | 6.5 | 0 | 0 | 111.9 | A222 Q223 E224 A229 F230 | A222-Q226 WeakPolarHBondContact O-CB 3.29Å; A222-Q226 PolarHBondContact O-N 3.19Å; Q223-Q226 PolarHBondContact O-N 2.89Å; E224-Q226 VanDerWaalsContact C-N 3.33Å; E224-Q226 PolarHBondContact O-N 3.36Å; Q226-A229 PolarHBondContact O-N 3.15Å; Q226-F230 WeakPolarHBondContact O-CB 3.16Å; Q226-F230 PolarHBondContact O-N 3.19Å |
| 227 | R | 97.7 | Very high | 97.1 | Very high | 152 Ų | 152 | 101.1 Ų | 101.1 | 57% | 0.574 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -43.5 | 175.4 | -74.1 | 175.1 | -176.9 | 176.8 | 5.4 | 111.8 | Q223 E224 F230 Y231 | Q223-R227 VanDerWaalsContact CD-NH2 3.32Å; Q223-R227 WeakPolarHBondContact O-CB 3.41Å; Q223-R227 VanDerWaalsContact O-CG 3.29Å; Q223-R227 WeakPolarHBondContact O-CG 3.36Å; Q223-R227 PolarHBondContact O-N 3.03Å; E224-R227 PolarHBondContact O-N 2.87Å; R227-F230 PolarHBondContact O-N 2.82Å; R227-Y231 PolarHBondContact O-N 3.45Å |
| 228 | A | 97.5 | Very high | 97.2 | Very high | 56 Ų | 56 | 101.7 Ų | 101.7 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E224 A225 F230 Y231 V232 | E224-A228 WeakPolarHBondContact O-CB 3.37Å; E224-A228 PolarHBondContact O-N 2.94Å; A225-A228 PolarHBondContact O-N 2.82Å; A228-F230 VanDerWaalsContact C-N 3.34Å; A228-F230 PolarHBondContact O-N 3.49Å; A228-Y231 PolarHBondContact O-N 2.85Å; A228-V232 WeakPolarHBondContact O-CG2 3.34Å; A228-V232 PolarHBondContact O-N 2.92Å |
| 229 | A | 97.7 | Very high | 97.3 | Very high | 62 Ų | 62 | 102.6 Ų | 102.6 | 51% | 0.512 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A225 Q226 Y231 V232 E233 | A225-A229 WeakPolarHBondContact O-CB 3.19Å; A225-A229 PolarHBondContact O-N 3.04Å; Q226-A229 PolarHBondContact O-N 3.15Å; A229-Y231 PolarHBondContact O-N 3.49Å; A229-V232 PolarHBondContact O-N 2.51Å; A229-E233 WeakPolarHBondContact O-CB 3.08Å; A229-E233 PolarHBondContact O-N 2.98Å |
| 230 | F | 97.8 | Very high | 97.5 | Very high | 142 Ų | 142 | 101.5 Ų | 101.5 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.9 | -40.3 | 176.3 | -177.7 | -99.1 | 0 | 0 | 0 | 112.7 | Q226 R227 A228 E233 R234 | Q226-F230 WeakPolarHBondContact O-CB 3.16Å; Q226-F230 PolarHBondContact O-N 3.19Å; R227-F230 PolarHBondContact O-N 2.82Å; A228-F230 VanDerWaalsContact C-N 3.34Å; A228-F230 PolarHBondContact O-N 3.49Å; F230-E233 PolarHBondContact O-N 3.13Å; F230-R234 VanDerWaalsContact O-CB 3.25Å; F230-R234 WeakPolarHBondContact O-CB 3.18Å; F230-R234 PolarHBondContact O-N 3.01Å |
| 231 | Y | 96.9 | Very high | 97.5 | Very high | 174 Ų | 174 | 104.7 Ų | 104.7 | 68% | 0.682 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -43.8 | 177.5 | -174.2 | -95.9 | 0 | 0 | 0 | 112 | R227 A228 A229 R234 A235 | R227-Y231 PolarHBondContact O-N 3.45Å; A228-Y231 PolarHBondContact O-N 2.85Å; A229-Y231 PolarHBondContact O-N 3.49Å; Y231-R234 PolarHBondContact O-N 3.4Å; Y231-A235 WeakPolarHBondContact O-CB 3.25Å; Y231-A235 PolarHBondContact O-N 3.09Å |
| 232 | V | 97.1 | Very high | 97.6 | Very high | 77 Ų | 77 | 108.8 Ų | 108.8 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 176 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | A228 A229 A235 K236 | A228-V232 WeakPolarHBondContact O-CG2 3.34Å; A228-V232 PolarHBondContact O-N 2.92Å; A229-V232 PolarHBondContact O-N 2.51Å; V232-A235 PolarHBondContact O-N 3.12Å; V232-K236 WeakPolarHBondContact O-CG 3.28Å; V232-K236 PolarHBondContact O-N 3.27Å |
| 233 | E | 97.7 | Very high | 97.6 | Very high | 87 Ų | 87 | 109 Ų | 109 | 41% | 0.407 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68 | -40.7 | -178.9 | -153.5 | 59 | -155.2 | 0 | 0 | 111.9 | A229 F230 A235 K236 Q237 | A229-E233 WeakPolarHBondContact O-CB 3.08Å; A229-E233 PolarHBondContact O-N 2.98Å; F230-E233 PolarHBondContact O-N 3.13Å; E233-A235 PolarHBondContact O-N 2.95Å; E233-K236 PolarHBondContact O-N 2.72Å; E233-K236 IonicContact OE2-NZ 3.48Å; E233-K236 PolarHBondContact OE2-NZ 3.06Å; E233-Q237 WeakPolarHBondContact O-CG 3.13Å; E233-Q237 PolarHBondContact O-N 3.35Å |
| 234 | R | 98 | Very high | 97.6 | Very high | 132 Ų | 132 | 108.3 Ų | 108.3 | 50% | 0.498 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59 | -45.4 | 171 | -179.2 | 179.6 | 172.1 | 172.1 | 1.3 | 111.6 | F230 Y231 K236 Q237 E238 | F230-R234 VanDerWaalsContact O-CB 3.25Å; F230-R234 WeakPolarHBondContact O-CB 3.18Å; F230-R234 PolarHBondContact O-N 3.01Å; Y231-R234 PolarHBondContact O-N 3.4Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 PolarHBondContact O-N 3.19Å; R234-Q237 PolarHBondContact O-N 3.38Å; R234-E238 HydrophobicContact CG-CG 4.36Å; R234-E238 IonicContact CZ-OE1 3.78Å; R234-E238 IonicContact NE-OE1 2.88Å; R234-E238 PolarHBondContact NE-OE1 2.92Å; R234-E238 IonicContact NH2-OE1 3.26Å; R234-E238 PolarHBondContact NH2-OE1 2.88Å; R234-E238 WeakPolarHBondContact O-CB 3.19Å; R234-E238 WeakPolarHBondContact O-CG 3.19Å; R234-E238 PolarHBondContact O-N 3.03Å |
| 235 | A | 97.6 | Very high | 97.6 | Very high | 46 Ų | 46 | 107.9 Ų | 107.9 | 38% | 0.38 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y231 V232 E233 R239 | Y231-A235 WeakPolarHBondContact O-CB 3.25Å; Y231-A235 PolarHBondContact O-N 3.09Å; V232-A235 PolarHBondContact O-N 3.12Å; E233-A235 PolarHBondContact O-N 2.95Å; A235-R239 WeakPolarHBondContact O-CB 3.4Å; A235-R239 PolarHBondContact O-N 3.37Å |
| 236 | K | 98.1 | Very high | 97.6 | Very high | 115 Ų | 115 | 107.5 Ų | 107.5 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 172.2 | -69.4 | 175 | -168.2 | 160.4 | 0 | 111.8 | V232 E233 R234 R239 Q240 | V232-K236 WeakPolarHBondContact O-CG 3.28Å; V232-K236 PolarHBondContact O-N 3.27Å; E233-K236 PolarHBondContact O-N 2.72Å; E233-K236 IonicContact OE2-NZ 3.48Å; E233-K236 PolarHBondContact OE2-NZ 3.06Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 PolarHBondContact O-N 3.19Å; K236-R239 PolarHBondContact O-N 2.85Å; K236-Q240 PolarHBondContact O-N 3.29Å |
| 237 | Q | 97.6 | Very high | 97.5 | Very high | 128 Ų | 128 | 105.7 Ų | 105.7 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 178.4 | -71.5 | 176.7 | 3.9 | 0 | 0 | 111.5 | E233 R234 R239 Q240 Q241 | E233-Q237 WeakPolarHBondContact O-CG 3.13Å; E233-Q237 PolarHBondContact O-N 3.35Å; R234-Q237 PolarHBondContact O-N 3.38Å; Q237-R239 VanDerWaalsContact C-N 3.35Å; Q237-R239 PolarHBondContact O-N 2.81Å; Q237-Q240 PolarHBondContact O-N 3.1Å; Q237-Q241 WeakPolarHBondContact O-CB 3.24Å; Q237-Q241 PolarHBondContact O-N 3.06Å |
| 238 | E | 97.5 | Very high | 97.5 | Very high | 73 Ų | 73 | 100.2 Ų | 100.2 | 34% | 0.341 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -39 | 176 | -73.7 | -179 | -174.1 | 0 | 0 | 111.9 | R234 Q241 K242 | R234-E238 HydrophobicContact CG-CG 4.36Å; R234-E238 IonicContact CZ-OE1 3.78Å; R234-E238 IonicContact NE-OE1 2.88Å; R234-E238 PolarHBondContact NE-OE1 2.92Å; R234-E238 IonicContact NH2-OE1 3.26Å; R234-E238 PolarHBondContact NH2-OE1 2.88Å; R234-E238 WeakPolarHBondContact O-CB 3.19Å; R234-E238 WeakPolarHBondContact O-CG 3.19Å; R234-E238 PolarHBondContact O-N 3.03Å; E238-Q241 PolarHBondContact O-N 3.31Å; E238-K242 WeakPolarHBondContact O-CG 3.32Å; E238-K242 PolarHBondContact O-N 3.07Å |
| 239 | R | 97.4 | Very high | 97.4 | Very high | 182 Ų | 182 | 103 Ų | 103 | 69% | 0.687 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.9 | -47.3 | 173.7 | 180 | 179.1 | -178.6 | 162.7 | 1.3 | 111.3 | A235 K236 Q237 Q241 K242 I243 | A235-R239 WeakPolarHBondContact O-CB 3.4Å; A235-R239 PolarHBondContact O-N 3.37Å; K236-R239 PolarHBondContact O-N 2.85Å; Q237-R239 VanDerWaalsContact C-N 3.35Å; Q237-R239 PolarHBondContact O-N 2.81Å; R239-Q241 VanDerWaalsContact C-N 3.32Å; R239-Q241 PolarHBondContact O-N 3Å; R239-K242 PolarHBondContact O-N 2.97Å; R239-I243 HydrophobicContact CG-CD1 3.94Å; R239-I243 WeakPolarHBondContact O-CG1 3.36Å; R239-I243 PolarHBondContact O-N 3.35Å |
| 240 | Q | 97.6 | Very high | 97.4 | Very high | 110 Ų | 110 | 102.5 Ų | 102.5 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 179.2 | -171.8 | 60 | 30.7 | 0 | 0 | 111 | K236 Q237 K242 I243 V244 | K236-Q240 PolarHBondContact O-N 3.29Å; Q237-Q240 PolarHBondContact O-N 3.1Å; Q240-K242 PolarHBondContact O-N 3.44Å; Q240-I243 PolarHBondContact O-N 2.9Å; Q240-V244 HydrophobicContact CG-CG2 4.47Å; Q240-V244 VanDerWaalsContact O-CG2 3.29Å; Q240-V244 WeakPolarHBondContact O-CG2 3.21Å; Q240-V244 PolarHBondContact O-N 3.23Å |
| 241 | Q | 97.5 | Very high | 97.3 | Very high | 132 Ų | 132 | 101.7 Ų | 101.7 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.7 | -45 | 175.2 | -174 | 179.9 | 9.2 | 0 | 0 | 111.7 | Q237 E238 R239 V244 Q245 | Q237-Q241 WeakPolarHBondContact O-CB 3.24Å; Q237-Q241 PolarHBondContact O-N 3.06Å; E238-Q241 PolarHBondContact O-N 3.31Å; R239-Q241 VanDerWaalsContact C-N 3.32Å; R239-Q241 PolarHBondContact O-N 3Å; Q241-V244 PolarHBondContact O-N 2.9Å; Q241-Q245 VanDerWaalsContact O-CB 3.26Å; Q241-Q245 WeakPolarHBondContact O-CB 3.49Å; Q241-Q245 PolarHBondContact O-N 2.95Å |
| 242 | K | 97.8 | Very high | 97.2 | Very high | 139 Ų | 139 | 95.5 Ų | 95.5 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.1 | -40 | 177.3 | -74.2 | 175.7 | -176.7 | 176.5 | 0 | 113.1 | E238 R239 Q240 Q245 A246 | E238-K242 WeakPolarHBondContact O-CG 3.32Å; E238-K242 PolarHBondContact O-N 3.07Å; R239-K242 PolarHBondContact O-N 2.97Å; Q240-K242 PolarHBondContact O-N 3.44Å; K242-Q245 PolarHBondContact O-N 3.49Å; K242-A246 VanDerWaalsContact O-CB 3.27Å; K242-A246 WeakPolarHBondContact O-CB 3.34Å; K242-A246 PolarHBondContact O-N 2.65Å |
| 243 | I | 97.7 | Very high | 96.9 | Very high | 62 Ų | 62 | 94.8 Ų | 94.8 | 32% | 0.318 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -51 | 176.7 | -68.7 | 167.4 | 0 | 0 | 0 | 109.7 | R239 Q240 Q245 A246 E247 | R239-I243 HydrophobicContact CG-CD1 3.94Å; R239-I243 WeakPolarHBondContact O-CG1 3.36Å; R239-I243 PolarHBondContact O-N 3.35Å; Q240-I243 PolarHBondContact O-N 2.9Å; I243-Q245 VanDerWaalsContact C-N 3.3Å; I243-Q245 PolarHBondContact O-N 2.88Å; I243-A246 PolarHBondContact O-N 3.23Å; I243-E247 HydrophobicContact CG2-CG 4.33Å; I243-E247 WeakPolarHBondContact O-CB 3.47Å; I243-E247 WeakPolarHBondContact O-CG 3.35Å; I243-E247 PolarHBondContact O-N 3.04Å |
| 244 | V | 97.5 | Very high | 96.7 | Very high | 81 Ų | 81 | 97.7 Ų | 97.7 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 179 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | Q240 Q241 G248 | Q240-V244 HydrophobicContact CG-CG2 4.47Å; Q240-V244 VanDerWaalsContact O-CG2 3.29Å; Q240-V244 WeakPolarHBondContact O-CG2 3.21Å; Q240-V244 PolarHBondContact O-N 3.23Å; Q241-V244 PolarHBondContact O-N 2.9Å; V244-G248 PolarHBondContact O-N 3.08Å |
| 245 | Q | 97.2 | Very high | 96.4 | Very high | 108 Ų | 108 | 96.8 Ų | 96.8 | 51% | 0.505 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -47.5 | 175.5 | -177.2 | 176.2 | -1.3 | 0 | 0 | 111.9 | Q241 K242 I243 G248 E249 | Q241-Q245 VanDerWaalsContact O-CB 3.26Å; Q241-Q245 WeakPolarHBondContact O-CB 3.49Å; Q241-Q245 PolarHBondContact O-N 2.95Å; K242-Q245 PolarHBondContact O-N 3.49Å; I243-Q245 VanDerWaalsContact C-N 3.3Å; I243-Q245 PolarHBondContact O-N 2.88Å; Q245-G248 PolarHBondContact O-N 3.41Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.44Å; Q245-E249 PolarHBondContact NE2-OE1 3.05Å; Q245-E249 WeakPolarHBondContact O-CB 3.45Å; Q245-E249 WeakPolarHBondContact O-CG 3.34Å; Q245-E249 PolarHBondContact O-N 3.08Å |
| 246 | A | 97.3 | Very high | 95.9 | Very high | 54 Ų | 54 | 97.9 Ų | 97.9 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K242 I243 E249 A250 | K242-A246 VanDerWaalsContact O-CB 3.27Å; K242-A246 WeakPolarHBondContact O-CB 3.34Å; K242-A246 PolarHBondContact O-N 2.65Å; I243-A246 PolarHBondContact O-N 3.23Å; A246-E249 PolarHBondContact O-N 3.38Å; A246-A250 VanDerWaalsContact O-CB 3.24Å; A246-A250 WeakPolarHBondContact O-CB 3.46Å; A246-A250 PolarHBondContact O-N 2.95Å |
| 247 | E | 97.6 | Very high | 95.4 | Very high | 107 Ų | 107 | 93.6 Ų | 93.6 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 172.6 | -74.5 | 176.7 | 174.4 | 0 | 0 | 111.2 | I243 A250 Q251 | I243-E247 HydrophobicContact CG2-CG 4.33Å; I243-E247 WeakPolarHBondContact O-CB 3.47Å; I243-E247 WeakPolarHBondContact O-CG 3.35Å; I243-E247 PolarHBondContact O-N 3.04Å; E247-A250 PolarHBondContact O-N 3.32Å; E247-Q251 WeakPolarHBondContact O-CB 3.43Å; E247-Q251 VanDerWaalsContact O-CG 3.27Å; E247-Q251 WeakPolarHBondContact O-CG 3.43Å; E247-Q251 PolarHBondContact O-N 3.1Å |
| 248 | G | 97.2 | Very high | 94.9 | Very high | 37 Ų | 37 | 92.6 Ų | 92.6 | 38% | 0.381 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V244 Q245 A252 | V244-G248 PolarHBondContact O-N 3.08Å; Q245-G248 PolarHBondContact O-N 3.41Å; G248-A252 WeakPolarHBondContact O-CB 3.18Å; G248-A252 PolarHBondContact O-N 3.07Å |
| 249 | E | 95.6 | Very high | 94.4 | Very high | 116 Ų | 116 | 90.8 Ų | 90.8 | 54% | 0.542 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 176.1 | -74.2 | 175.4 | -166.4 | 0 | 0 | 112 | Q245 A246 A252 A253 | Q245-E249 WeakPolarHBondContact CG-OE1 3.44Å; Q245-E249 PolarHBondContact NE2-OE1 3.05Å; Q245-E249 WeakPolarHBondContact O-CB 3.45Å; Q245-E249 WeakPolarHBondContact O-CG 3.34Å; Q245-E249 PolarHBondContact O-N 3.08Å; A246-E249 PolarHBondContact O-N 3.38Å; E249-A252 PolarHBondContact O-N 3.37Å; E249-A253 VanDerWaalsContact O-CB 3.26Å; E249-A253 WeakPolarHBondContact O-CB 3.32Å; E249-A253 PolarHBondContact O-N 2.87Å |
| 250 | A | 96.6 | Very high | 93.7 | Very high | 50 Ų | 50 | 84.6 Ų | 84.6 | 41% | 0.413 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A246 E247 A253 K254 | A246-A250 VanDerWaalsContact O-CB 3.24Å; A246-A250 WeakPolarHBondContact O-CB 3.46Å; A246-A250 PolarHBondContact O-N 2.95Å; E247-A250 PolarHBondContact O-N 3.32Å; A250-A253 PolarHBondContact O-N 2.86Å; A250-K254 WeakPolarHBondContact O-CG 3.38Å; A250-K254 PolarHBondContact O-N 3.03Å |
| 251 | Q | 96.3 | Very high | 92.9 | Very high | 126 Ų | 126 | 82.8 Ų | 82.8 | 59% | 0.589 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.2 | -45.2 | 174.2 | -72.5 | 179.2 | 14.4 | 0 | 0 | 111 | E247 A253 K254 L255 | E247-Q251 WeakPolarHBondContact O-CB 3.43Å; E247-Q251 VanDerWaalsContact O-CG 3.27Å; E247-Q251 WeakPolarHBondContact O-CG 3.43Å; E247-Q251 PolarHBondContact O-N 3.1Å; Q251-A253 VanDerWaalsContact C-N 3.34Å; Q251-A253 PolarHBondContact O-N 3.38Å; Q251-K254 PolarHBondContact O-N 3.19Å; Q251-L255 WeakPolarHBondContact O-CG 3.2Å; Q251-L255 PolarHBondContact O-N 3.35Å |
| 252 | A | 94.2 | Very high | 92.3 | Very high | 44 Ų | 44 | 84 Ų | 84 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G248 E249 K254 L255 I256 | G248-A252 WeakPolarHBondContact O-CB 3.18Å; G248-A252 PolarHBondContact O-N 3.07Å; E249-A252 PolarHBondContact O-N 3.37Å; A252-K254 PolarHBondContact O-N 3.45Å; A252-L255 PolarHBondContact O-N 3.5Å; A252-I256 WeakPolarHBondContact O-CB 3.5Å; A252-I256 WeakPolarHBondContact O-CD1 3.27Å; A252-I256 WeakPolarHBondContact O-CG1 3.49Å; A252-I256 PolarHBondContact O-N 3.48Å |
| 253 | A | 92.3 | Very high | 91.7 | Very high | 62 Ų | 62 | 82.4 Ų | 82.4 | 51% | 0.512 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E249 A250 Q251 G257 | E249-A253 VanDerWaalsContact O-CB 3.26Å; E249-A253 WeakPolarHBondContact O-CB 3.32Å; E249-A253 PolarHBondContact O-N 2.87Å; A250-A253 PolarHBondContact O-N 2.86Å; Q251-A253 VanDerWaalsContact C-N 3.34Å; Q251-A253 PolarHBondContact O-N 3.38Å; A253-G257 PolarHBondContact O-N 3.34Å |
| 254 | K | 93.4 | Very high | 90.7 | Very high | 147 Ų | 147 | 83.9 Ų | 83.9 | 64% | 0.639 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63 | -49.7 | 174 | -75.3 | 177.1 | -178 | -178.1 | 0 | 111.7 | A250 Q251 A252 I256 G257 E258 | A250-K254 WeakPolarHBondContact O-CG 3.38Å; A250-K254 PolarHBondContact O-N 3.03Å; Q251-K254 PolarHBondContact O-N 3.19Å; A252-K254 PolarHBondContact O-N 3.45Å; K254-I256 PolarHBondContact O-N 3.39Å; K254-G257 WeakPolarHBondContact O-CA 3.48Å; K254-G257 PolarHBondContact O-N 2.93Å; K254-G257 VanDerWaalsContact O-N 3.14Å; K254-E258 WeakPolarHBondContact O-CG 3.2Å; K254-E258 PolarHBondContact O-N 2.86Å |
| 255 | L | 90.6 | Very high | 90 | Very high | 113 Ų | 113 | 82.2 Ų | 82.2 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 179.1 | -69.9 | 174 | 0 | 0 | 0 | 112.2 | Q251 A252 E258 A259 | Q251-L255 WeakPolarHBondContact O-CG 3.2Å; Q251-L255 PolarHBondContact O-N 3.35Å; A252-L255 PolarHBondContact O-N 3.5Å; L255-E258 PolarHBondContact O-N 2.88Å; L255-A259 WeakPolarHBondContact O-CB 3.33Å; L255-A259 PolarHBondContact O-N 2.86Å |
| 256 | I | 88.2 | Confident | 89.5 | Confident | 69 Ų | 69 | 80.1 Ų | 80.1 | 35% | 0.354 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 174.3 | -67.3 | 165.6 | 0 | 0 | 0 | 110.1 | A252 K254 E258 A259 M260 | A252-I256 WeakPolarHBondContact O-CB 3.5Å; A252-I256 WeakPolarHBondContact O-CD1 3.27Å; A252-I256 WeakPolarHBondContact O-CG1 3.49Å; A252-I256 PolarHBondContact O-N 3.48Å; K254-I256 PolarHBondContact O-N 3.39Å; I256-E258 PolarHBondContact O-N 3.32Å; I256-A259 PolarHBondContact O-N 2.92Å; I256-M260 HydrophobicContact CG2-CE 4Å; I256-M260 HydrophobicContact CG2-CG 4.4Å; I256-M260 HydrophobicContact CG2-SD 4.1Å; I256-M260 WeakPolarHBondContact O-CB 3.37Å; I256-M260 VanDerWaalsContact O-CG 3.26Å; I256-M260 WeakPolarHBondContact O-CG 3.26Å; I256-M260 PolarHBondContact O-N 3.31Å |
| 257 | G | 86.8 | Confident | 88.9 | Confident | 26 Ų | 26 | 78.7 Ų | 78.7 | 27% | 0.268 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A253 K254 M260 A261 | A253-G257 PolarHBondContact O-N 3.34Å; K254-G257 WeakPolarHBondContact O-CA 3.48Å; K254-G257 PolarHBondContact O-N 2.93Å; K254-G257 VanDerWaalsContact O-N 3.14Å; G257-M260 PolarHBondContact O-N 2.86Å; G257-A261 PolarHBondContact O-N 2.98Å; G257-A261 VanDerWaalsContact O-N 3.1Å |
| 258 | E | 87.6 | Confident | 88.2 | Confident | 106 Ų | 106 | 79 Ų | 79 | 50% | 0.495 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 176.6 | -71.7 | 174.1 | -165.9 | 0 | 0 | 112.3 | K254 L255 I256 M260 A261 K262 | K254-E258 WeakPolarHBondContact O-CG 3.2Å; K254-E258 PolarHBondContact O-N 2.86Å; L255-E258 PolarHBondContact O-N 2.88Å; I256-E258 PolarHBondContact O-N 3.32Å; E258-M260 VanDerWaalsContact C-N 3.34Å; E258-M260 PolarHBondContact O-N 3.5Å; E258-A261 PolarHBondContact O-N 2.91Å; E258-K262 WeakPolarHBondContact O-CG 3.39Å; E258-K262 PolarHBondContact O-N 3.39Å; E258-K262 VanDerWaalsContact O-N 3.13Å |
| 259 | A | 85.8 | Confident | 87.8 | Confident | 35 Ų | 35 | 81.7 Ų | 81.7 | 29% | 0.289 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L255 I256 A261 K262 D263 | L255-A259 WeakPolarHBondContact O-CB 3.33Å; L255-A259 PolarHBondContact O-N 2.86Å; I256-A259 PolarHBondContact O-N 2.92Å; A259-A261 VanDerWaalsContact C-N 3.33Å; A259-A261 PolarHBondContact O-N 2.82Å; A259-K262 PolarHBondContact O-N 2.92Å; A259-D263 PolarHBondContact O-N 3.48Å |
| 260 | M | 82.4 | Confident | 87.4 | Confident | 52 Ų | 52 | 82.5 Ų | 82.5 | 26% | 0.256 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.9 | -33.3 | 175.3 | -71.6 | -176.8 | -51.8 | 0 | 0 | 112.8 | I256 G257 E258 Y266 L267 F313 | I256-M260 HydrophobicContact CG2-CE 4Å; I256-M260 HydrophobicContact CG2-CG 4.4Å; I256-M260 HydrophobicContact CG2-SD 4.1Å; I256-M260 WeakPolarHBondContact O-CB 3.37Å; I256-M260 VanDerWaalsContact O-CG 3.26Å; I256-M260 WeakPolarHBondContact O-CG 3.26Å; I256-M260 PolarHBondContact O-N 3.31Å; G257-M260 PolarHBondContact O-N 2.86Å; E258-M260 VanDerWaalsContact C-N 3.34Å; E258-M260 PolarHBondContact O-N 3.5Å; M260-Y266 HydrophobicContact CG-CD1 3.76Å; M260-Y266 HydrophobicContact CG-CE1 4.12Å; M260-L267 HydrophobicContact CB-CD2 4.44Å; M260-L267 HydrophobicContact CB-CG 4.35Å; M260-L267 HydrophobicContact CG-CD2 3.82Å; M260-L267 HydrophobicContact CG-CG 4.1Å; M260-L267 HydrophobicContact SD-CD2 3.36Å; M260-L267 WeakPolarHBondContact SD-CD2 3.23Å; M260-L267 HydrophobicContact SD-CG 4.27Å; M260-F313 HydrophobicContact CB-CZ 4.41Å |
| 261 | A | 81.8 | Confident | 86.9 | Confident | 72 Ų | 72 | 80.8 Ų | 80.8 | 60% | 0.595 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -75.2 | -29.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G257 E258 A259 | G257-A261 PolarHBondContact O-N 2.98Å; G257-A261 VanDerWaalsContact O-N 3.1Å; E258-A261 PolarHBondContact O-N 2.91Å; A259-A261 VanDerWaalsContact C-N 3.33Å; A259-A261 PolarHBondContact O-N 2.82Å |
| 262 | K | 85.2 | Confident | 86.5 | Confident | 159 Ų | 159 | 77.6 Ų | 77.6 | 69% | 0.691 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -75.8 | -45.8 | 178.3 | -72.3 | 175.7 | -176.3 | 176.3 | 0 | 112.1 | E258 A259 | E258-K262 WeakPolarHBondContact O-CG 3.39Å; E258-K262 PolarHBondContact O-N 3.39Å; E258-K262 VanDerWaalsContact O-N 3.13Å; A259-K262 PolarHBondContact O-N 2.92Å |
| 263 | D | 84.4 | Confident | 86.4 | Confident | 105 Ų | 105 | 82.3 Ų | 82.3 | 56% | 0.561 | 43% | 0.433 | S | S | * | . | trans | -123.6 | 104.6 | -173.9 | -70.2 | -41.1 | 0 | 0 | 0 | 112 | A259 G265 Y266 | A259-D263 PolarHBondContact O-N 3.48Å; D263-G265 PolarHBondContact O-N 2.86Å; D263-G265 VanDerWaalsContact O-N 3.13Å; D263-Y266 WeakPolarHBondContact O-CB 3.43Å; D263-Y266 PolarHBondContact O-N 3.46Å | ||
| 264 | P | 77.1 | Confident | 86.3 | Confident | 93 Ų | 93 | 81.4 Ų | 81.4 | 60% | 0.604 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.4 | -22.5 | 174.8 | 24.9 | -33.2 | 0 | 0 | 0 | 112.4 | Y266 | P264-Y266 PolarHBondContact O-N 3.41Å |
| 265 | G | 83.4 | Confident | 86.1 | Confident | 46 Ų | 46 | 74.7 Ų | 74.7 | 47% | 0.474 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65 | -24.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114 | D263 K268 L269 | D263-G265 PolarHBondContact O-N 2.86Å; D263-G265 VanDerWaalsContact O-N 3.13Å; G265-K268 PolarHBondContact O-N 3.08Å; G265-L269 PolarHBondContact O-N 3.44Å |
| 266 | Y | 85.7 | Confident | 86.2 | Confident | 64 Ų | 64 | 73.5 Ų | 73.5 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 179.9 | -174.1 | -97.1 | 0 | 0 | 0 | 112.1 | M260 D263 P264 L269 R270 | M260-Y266 HydrophobicContact CG-CD1 3.76Å; M260-Y266 HydrophobicContact CG-CE1 4.12Å; D263-Y266 WeakPolarHBondContact O-CB 3.43Å; D263-Y266 PolarHBondContact O-N 3.46Å; P264-Y266 PolarHBondContact O-N 3.41Å; Y266-L269 PolarHBondContact O-N 3.28Å; Y266-R270 HydrophobicContact CD1-CG 3.95Å; Y266-R270 HydrophobicContact CE1-CG 3.62Å; Y266-R270 WeakPolarHBondContact O-CB 3.39Å; Y266-R270 WeakPolarHBondContact O-CG 3.34Å; Y266-R270 PolarHBondContact O-N 3.43Å; Y266-R270 PolarHBondContact OH-NE 3.49Å; Y266-R270 PolarHBondContact OH-NH2 3.29Å |
| 267 | L | 84.4 | Confident | 86.3 | Confident | 24 Ų | 24 | 74.5 Ų | 74.5 | 13% | 0.126 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.3 | -77.9 | 172.8 | 0 | 0 | 0 | 111.7 | M260 R270 K271 A309 F313 | M260-L267 HydrophobicContact CB-CD2 4.44Å; M260-L267 HydrophobicContact CB-CG 4.35Å; M260-L267 HydrophobicContact CG-CD2 3.82Å; M260-L267 HydrophobicContact CG-CG 4.1Å; M260-L267 HydrophobicContact SD-CD2 3.36Å; M260-L267 WeakPolarHBondContact SD-CD2 3.23Å; M260-L267 HydrophobicContact SD-CG 4.27Å; L267-R270 PolarHBondContact O-N 3.39Å; L267-K271 WeakPolarHBondContact O-CB 3.48Å; L267-K271 PolarHBondContact O-N 3.08Å; L267-A309 HydrophobicContact CD1-CB 4.46Å; L267-F313 HydrophobicContact CD1-CE2 3.89Å; L267-F313 HydrophobicContact CD1-CZ 4.48Å |
| 268 | K | 84 | Confident | 86.4 | Confident | 114 Ų | 114 | 75.5 Ų | 75.5 | 50% | 0.496 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 175.2 | -66 | -175.9 | 177.3 | -177.3 | 0 | 111.3 | G265 R270 K271 I272 L306 | G265-K268 PolarHBondContact O-N 3.08Å; K268-R270 PolarHBondContact O-N 2.97Å; K268-K271 WeakPolarHBondContact O-CB 3.4Å; K268-K271 PolarHBondContact O-N 3.26Å; K268-I272 WeakPolarHBondContact O-CG1 3.28Å; K268-I272 PolarHBondContact O-N 3.21Å; K268-L306 HydrophobicContact CD-CD1 4.24Å; K268-L306 HydrophobicContact CG-CD1 3.91Å; K268-L306 HydrophobicContact CG-CD2 3.93Å |
| 269 | L | 87.6 | Confident | 86.4 | Confident | 92 Ų | 92 | 72.7 Ų | 72.7 | 48% | 0.482 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 177.1 | -178.4 | 62.5 | 0 | 0 | 0 | 111.8 | G265 Y266 I272 R273 | G265-L269 PolarHBondContact O-N 3.44Å; Y266-L269 PolarHBondContact O-N 3.28Å; L269-I272 PolarHBondContact O-N 3.05Å; L269-R273 HydrophobicContact CD1-CG 4.45Å; L269-R273 VanDerWaalsContact O-CG 3.31Å; L269-R273 WeakPolarHBondContact O-CG 3.5Å; L269-R273 PolarHBondContact O-N 3.17Å |
| 270 | R | 87.1 | Confident | 86.6 | Confident | 133 Ų | 133 | 78 Ų | 78 | 50% | 0.502 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 175.7 | -78.6 | -71 | -170.4 | 172.1 | 2.7 | 112.1 | Y266 L267 K268 R273 A274 | Y266-R270 HydrophobicContact CD1-CG 3.95Å; Y266-R270 HydrophobicContact CE1-CG 3.62Å; Y266-R270 WeakPolarHBondContact O-CB 3.39Å; Y266-R270 WeakPolarHBondContact O-CG 3.34Å; Y266-R270 PolarHBondContact O-N 3.43Å; Y266-R270 PolarHBondContact OH-NE 3.49Å; Y266-R270 PolarHBondContact OH-NH2 3.29Å; L267-R270 PolarHBondContact O-N 3.39Å; K268-R270 PolarHBondContact O-N 2.97Å; R270-R273 PolarHBondContact O-N 2.75Å; R270-A274 WeakPolarHBondContact O-CB 3.1Å; R270-A274 PolarHBondContact O-N 3.06Å |
| 271 | K | 86.1 | Confident | 86.9 | Confident | 14 Ų | 14 | 79.9 Ų | 79.9 | 6% | 0.061 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.6 | -48.5 | 173 | -172 | -172.2 | 177.3 | -165.6 | 0 | 110.8 | L267 K268 R273 A274 A275 I297 N299 I300 S302 F305 | L267-K271 WeakPolarHBondContact O-CB 3.48Å; L267-K271 PolarHBondContact O-N 3.08Å; K268-K271 WeakPolarHBondContact O-CB 3.4Å; K268-K271 PolarHBondContact O-N 3.26Å; K271-R273 PolarHBondContact O-N 3.07Å; K271-A274 PolarHBondContact O-N 3.34Å; K271-A275 WeakPolarHBondContact O-CB 3.43Å; K271-A275 PolarHBondContact O-N 3.47Å; K271-I297 HydrophobicContact CD-CG2 4.21Å; K271-I297 HydrophobicContact CG-CG2 3.62Å; K271-N299 PolarHBondContact NZ-O 2.97Å; K271-I300 PolarHBondContact NZ-O 3.46Å; K271-S302 PolarHBondContact NZ-O 3.41Å; K271-F305 HydrophobicContact CD-CB 4.45Å; K271-F305 HydrophobicContact CD-CD1 4.01Å; K271-F305 HydrophobicContact CD-CG 4.43Å; K271-F305 HydrophobicContact CG-CD1 4.35Å |
| 272 | I | 89.1 | Confident | 87.1 | Confident | 60 Ų | 60 | 79.4 Ų | 79.4 | 31% | 0.308 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 178.5 | -65.4 | 165.8 | 0 | 0 | 0 | 111.3 | K268 L269 A275 Q276 I300 | K268-I272 WeakPolarHBondContact O-CG1 3.28Å; K268-I272 PolarHBondContact O-N 3.21Å; L269-I272 PolarHBondContact O-N 3.05Å; I272-A275 PolarHBondContact O-N 2.87Å; I272-Q276 HydrophobicContact CG2-CG 4.45Å; I272-Q276 WeakPolarHBondContact O-CB 3.3Å; I272-Q276 WeakPolarHBondContact O-CG 3.5Å; I272-Q276 PolarHBondContact O-N 3.16Å; I272-I300 HydrophobicContact CD1-CG2 4.39Å; I272-I300 HydrophobicContact CG1-CG2 3.94Å |
| 273 | R | 91.2 | Very high | 87.2 | Confident | 143 Ų | 143 | 76.4 Ų | 76.4 | 54% | 0.54 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 177.5 | -69.7 | -65.8 | -170.5 | -177.2 | 4.7 | 112.1 | L269 R270 K271 Q276 N277 | L269-R273 HydrophobicContact CD1-CG 4.45Å; L269-R273 VanDerWaalsContact O-CG 3.31Å; L269-R273 WeakPolarHBondContact O-CG 3.5Å; L269-R273 PolarHBondContact O-N 3.17Å; R270-R273 PolarHBondContact O-N 2.75Å; K271-R273 PolarHBondContact O-N 3.07Å; R273-Q276 PolarHBondContact O-N 2.96Å; R273-N277 PolarHBondContact O-N 2.82Å |
| 274 | A | 90.9 | Very high | 87.4 | Confident | 42 Ų | 42 | 78.4 Ų | 78.4 | 35% | 0.347 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | R270 K271 Q276 N277 V278 | R270-A274 WeakPolarHBondContact O-CB 3.1Å; R270-A274 PolarHBondContact O-N 3.06Å; K271-A274 PolarHBondContact O-N 3.34Å; A274-Q276 PolarHBondContact O-N 3.32Å; A274-N277 PolarHBondContact O-N 2.73Å; A274-V278 WeakPolarHBondContact O-CG2 3.34Å; A274-V278 PolarHBondContact O-N 2.83Å |
| 275 | A | 89.6 | Confident | 87.8 | Confident | 6 Ų | 6 | 76.5 Ų | 76.5 | 5% | 0.05 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K271 I272 N277 V278 A279 I297 L298 | K271-A275 WeakPolarHBondContact O-CB 3.43Å; K271-A275 PolarHBondContact O-N 3.47Å; I272-A275 PolarHBondContact O-N 2.87Å; A275-N277 PolarHBondContact O-N 2.91Å; A275-V278 PolarHBondContact O-N 2.84Å; A275-A279 VanDerWaalsContact O-CB 3.26Å; A275-A279 WeakPolarHBondContact O-CB 3.32Å; A275-A279 PolarHBondContact O-N 3.09Å; A275-I297 WeakPolarHBondContact CB-O 3.33Å; A275-L298 HydrophobicContact CB-CD2 4.17Å; A275-L298 WeakPolarHBondContact O-CD2 3.31Å |
| 276 | Q | 91.3 | Very high | 87.7 | Confident | 89 Ų | 89 | 80.4 Ų | 80.4 | 42% | 0.416 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 174.5 | -76.6 | 179 | -16.8 | 0 | 0 | 112.2 | I272 R273 A274 R280 | I272-Q276 HydrophobicContact CG2-CG 4.45Å; I272-Q276 WeakPolarHBondContact O-CB 3.3Å; I272-Q276 WeakPolarHBondContact O-CG 3.5Å; I272-Q276 PolarHBondContact O-N 3.16Å; R273-Q276 PolarHBondContact O-N 2.96Å; A274-Q276 PolarHBondContact O-N 3.32Å; Q276-R280 WeakPolarHBondContact O-CB 3.45Å; Q276-R280 PolarHBondContact O-N 3.09Å |
| 277 | N | 91.8 | Very high | 87.7 | Confident | 89 Ų | 89 | 83.2 Ų | 83.2 | 48% | 0.476 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.9 | -46 | 178 | -74.2 | -14.6 | 0 | 0 | 0 | 111.5 | R273 A274 A275 A279 R280 T281 | R273-N277 PolarHBondContact O-N 2.82Å; A274-N277 PolarHBondContact O-N 2.73Å; A275-N277 PolarHBondContact O-N 2.91Å; N277-A279 PolarHBondContact O-N 3.03Å; N277-R280 PolarHBondContact O-N 3.44Å; N277-T281 PolarHBondContact O-N 3.32Å; N277-T281 PolarHBondContact O-OG1 3.12Å; N277-T281 VanDerWaalsContact O-OG1 3.08Å |
| 278 | V | 88.9 | Confident | 87.4 | Confident | 47 Ų | 47 | 93.1 Ų | 93.1 | 29% | 0.285 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 176.2 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | A274 A275 R280 T281 L282 L296 L298 | A274-V278 WeakPolarHBondContact O-CG2 3.34Å; A274-V278 PolarHBondContact O-N 2.83Å; A275-V278 PolarHBondContact O-N 2.84Å; V278-R280 VanDerWaalsContact C-N 3.31Å; V278-R280 PolarHBondContact O-N 2.8Å; V278-T281 PolarHBondContact O-N 2.92Å; V278-L282 HydrophobicContact CG1-CD1 3.78Å; V278-L282 HydrophobicContact CG1-CG 4.32Å; V278-L282 WeakPolarHBondContact O-CB 3.49Å; V278-L282 VanDerWaalsContact O-CG 3.27Å; V278-L282 WeakPolarHBondContact O-CG 3.49Å; V278-L282 PolarHBondContact O-N 3.15Å; V278-L296 HydrophobicContact CG1-CB 4.25Å; V278-L296 HydrophobicContact CG1-CD2 4.18Å; V278-L298 HydrophobicContact CB-CD2 4.21Å; V278-L298 HydrophobicContact CG1-CD2 4.07Å |
| 279 | A | 87.6 | Confident | 87.1 | Confident | 48 Ų | 48 | 90.4 Ų | 90.4 | 40% | 0.397 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A275 N277 L282 S283 L298 | A275-A279 VanDerWaalsContact O-CB 3.26Å; A275-A279 WeakPolarHBondContact O-CB 3.32Å; A275-A279 PolarHBondContact O-N 3.09Å; N277-A279 PolarHBondContact O-N 3.03Å; A279-L282 PolarHBondContact O-N 3.39Å; A279-S283 WeakPolarHBondContact O-CB 3.39Å; A279-S283 PolarHBondContact O-N 3.39Å; A279-S283 PolarHBondContact O-OG 3.38Å; A279-L298 HydrophobicContact CB-CD2 4.34Å |
| 280 | R | 90 | Very high | 86.7 | Confident | 145 Ų | 145 | 97 Ų | 97 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 175.6 | -171.8 | -176.4 | -67.1 | 154.8 | -2.3 | 112.2 | Q276 N277 V278 L282 S283 Q284 | Q276-R280 WeakPolarHBondContact O-CB 3.45Å; Q276-R280 PolarHBondContact O-N 3.09Å; N277-R280 PolarHBondContact O-N 3.44Å; V278-R280 VanDerWaalsContact C-N 3.31Å; V278-R280 PolarHBondContact O-N 2.8Å; R280-L282 VanDerWaalsContact C-N 3.32Å; R280-L282 PolarHBondContact O-N 3.45Å; R280-S283 PolarHBondContact O-N 2.96Å; R280-S283 PolarHBondContact O-OG 2.87Å; R280-Q284 WeakPolarHBondContact O-CG 3.47Å; R280-Q284 PolarHBondContact O-N 3.19Å; R280-Q284 VanDerWaalsContact O-N 3.12Å |
| 281 | T | 88.9 | Confident | 86.4 | Confident | 93 Ų | 93 | 95.4 Ų | 95.4 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 175.9 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | N277 V278 Q284 S285 | N277-T281 PolarHBondContact O-N 3.32Å; N277-T281 PolarHBondContact O-OG1 3.12Å; N277-T281 VanDerWaalsContact O-OG1 3.08Å; V278-T281 PolarHBondContact O-N 2.92Å; T281-Q284 PolarHBondContact O-N 3Å; T281-S285 WeakPolarHBondContact O-CB 3.36Å; T281-S285 PolarHBondContact O-N 3.12Å |
| 282 | L | 86 | Confident | 86.3 | Confident | 61 Ų | 61 | 99.1 Ų | 99.1 | 32% | 0.319 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 176.9 | -69.7 | 169.9 | 0 | 0 | 0 | 112.4 | V278 A279 R280 Q284 S285 L291 L296 L298 | V278-L282 HydrophobicContact CG1-CD1 3.78Å; V278-L282 HydrophobicContact CG1-CG 4.32Å; V278-L282 WeakPolarHBondContact O-CB 3.49Å; V278-L282 VanDerWaalsContact O-CG 3.27Å; V278-L282 WeakPolarHBondContact O-CG 3.49Å; V278-L282 PolarHBondContact O-N 3.15Å; A279-L282 PolarHBondContact O-N 3.39Å; R280-L282 VanDerWaalsContact C-N 3.32Å; R280-L282 PolarHBondContact O-N 3.45Å; L282-Q284 VanDerWaalsContact C-N 3.27Å; L282-Q284 PolarHBondContact O-N 3.4Å; L282-S285 PolarHBondContact O-N 3.26Å; L282-S285 PolarHBondContact O-OG 3.49Å; L282-L291 HydrophobicContact CD2-CD1 4.43Å; L282-L296 HydrophobicContact CD1-CD1 3.83Å; L282-L298 HydrophobicContact CD1-CD1 4.2Å |
| 283 | S | 86.3 | Confident | 85.8 | Confident | 96 Ų | 96 | 98.5 Ų | 98.5 | 67% | 0.671 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.5 | -28.3 | 177.9 | 72.4 | 0 | 0 | 0 | 0 | 112.8 | A279 R280 | A279-S283 WeakPolarHBondContact O-CB 3.39Å; A279-S283 PolarHBondContact O-N 3.39Å; A279-S283 PolarHBondContact O-OG 3.38Å; R280-S283 PolarHBondContact O-N 2.96Å; R280-S283 PolarHBondContact O-OG 2.87Å |
| 284 | Q | 89.2 | Confident | 85.3 | Confident | 147 Ų | 147 | 96 Ų | 96 | 69% | 0.687 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -84.7 | -24.7 | 175.2 | -70.2 | 177.6 | -17.5 | 0 | 0 | 113.4 | R280 T281 L282 S286 | R280-Q284 WeakPolarHBondContact O-CG 3.47Å; R280-Q284 PolarHBondContact O-N 3.19Å; R280-Q284 VanDerWaalsContact O-N 3.12Å; T281-Q284 PolarHBondContact O-N 3Å; L282-Q284 VanDerWaalsContact C-N 3.27Å; L282-Q284 PolarHBondContact O-N 3.4Å; Q284-S286 PolarHBondContact O-N 3.49Å |
| 285 | S | 85.1 | Confident | 84.8 | Confident | 53 Ų | 53 | 100.3 Ų | 100.3 | 37% | 0.371 | 53% | 0.533 | S | S | . | . | trans | -66.5 | 128.4 | 179.9 | 68.9 | 0 | 0 | 0 | 0 | 110.8 | T281 L282 N287 | T281-S285 WeakPolarHBondContact O-CB 3.36Å; T281-S285 PolarHBondContact O-N 3.12Å; L282-S285 PolarHBondContact O-N 3.26Å; L282-S285 PolarHBondContact O-OG 3.49Å; S285-N287 PolarHBondContact O-N 3.39Å | ||
| 286 | S | 81.9 | Confident | 84.4 | Confident | 128 Ų | 128 | 102 Ų | 102 | 90% | 0.895 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -71.3 | -16.9 | 175.5 | 49.7 | 0 | 0 | 0 | 0 | 113 | Q284 | Q284-S286 PolarHBondContact O-N 3.49Š|
| 287 | N | 84.2 | Confident | 83.9 | Confident | 124 Ų | 124 | 101 Ų | 101 | 66% | 0.663 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -91.5 | 117.8 | -177.8 | -161.5 | 18.8 | 0 | 0 | 0 | 111.1 | S285 A289 | S285-N287 PolarHBondContact O-N 3.39Å; N287-A289 PolarHBondContact O-N 3.13Å; N287-A289 VanDerWaalsContact O-N 3.11Å |
| 288 | R | 78.3 | Confident | 83.4 | Confident | 232 Ų | 232 | 99.1 Ų | 99.1 | 88% | 0.875 | 53% | 0.527 | S | S | * | . | trans | -80.1 | 91.3 | 176.5 | -66.4 | -178.9 | -179.1 | 162.2 | 0.4 | 109.5 | ||||
| 289 | A | 78.1 | Confident | 83.1 | Confident | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | trans | -95.8 | 125.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N287 L291 | N287-A289 PolarHBondContact O-N 3.13Å; N287-A289 VanDerWaalsContact O-N 3.11Å; A289-L291 HydrophobicContact CB-CD1 4.24Å; A289-L291 HydrophobicContact CB-CG 4.09Å; A289-L291 PolarHBondContact O-N 2.74Å | ||
| 290 | Y | 79.9 | Confident | 82.8 | Confident | 230 Ų | 230 | 102.5 Ų | 102.5 | 90% | 0.902 | 54% | 0.536 | S | S | * | . | trans | -80.3 | 99 | 170.9 | -66.5 | -87.1 | 0 | 0 | 0 | 109 | ||||
| 291 | L | 80.7 | Confident | 82.2 | Confident | 101 Ų | 101 | 98.8 Ų | 98.8 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | trans | -113.8 | 140.9 | 179.8 | -64.2 | 172.1 | 0 | 0 | 0 | 109.8 | L282 A289 A293 L296 | L282-L291 HydrophobicContact CD2-CD1 4.43Å; A289-L291 HydrophobicContact CB-CD1 4.24Å; A289-L291 HydrophobicContact CB-CG 4.09Å; A289-L291 PolarHBondContact O-N 2.74Å; L291-A293 PolarHBondContact O-N 3.32Å; L291-L296 HydrophobicContact CB-CD1 3.51Å; L291-L296 HydrophobicContact CB-CG 4.22Å; L291-L296 HydrophobicContact CD1-CD1 3.99Å; L291-L296 HydrophobicContact CD1-CD2 4.27Å; L291-L296 HydrophobicContact CG-CD1 4.41Å | ||
| 292 | N | 82.5 | Confident | 81.6 | Confident | 91 Ų | 91 | 95.7 Ų | 95.7 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | trans | -66.6 | 125.7 | 178.3 | -171.2 | -33.4 | 0 | 0 | 0 | 110 | N294 N295 L296 | N292-N294 PolarHBondContact O-N 3.04Å; N292-N294 WeakPolarHBondContact OD1-CB 3.42Å; N292-N294 PolarHBondContact OD1-N 2.86Å; N292-N295 HydrophobicContact CB-CB 4.44Å; N292-N295 PolarHBondContact O-N 2.87Å; N292-L296 PolarHBondContact O-N 3.28Å | ||
| 293 | A | 79.8 | Confident | 81 | Confident | 48 Ų | 48 | 97.1 Ų | 97.1 | 40% | 0.397 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L291 L296 I297 L298 | L291-A293 PolarHBondContact O-N 3.32Å; A293-L296 PolarHBondContact O-N 2.91Å; A293-I297 PolarHBondContact O-N 3.17Å; A293-L298 HydrophobicContact CB-CB 4.28Å; A293-L298 PolarHBondContact O-N 2.77Å |
| 294 | N | 79.8 | Confident | 80.6 | Confident | 90 Ų | 90 | 97.7 Ų | 97.7 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -39.1 | 177 | -68.5 | -16.1 | 0 | 0 | 0 | 111.7 | N292 L296 I297 N299 | N292-N294 PolarHBondContact O-N 3.04Å; N292-N294 WeakPolarHBondContact OD1-CB 3.42Å; N292-N294 PolarHBondContact OD1-N 2.86Å; N294-L296 PolarHBondContact O-N 3.42Å; N294-I297 PolarHBondContact O-N 2.89Å; N294-N299 WeakPolarHBondContact OD1-CB 3.4Å; N294-N299 PolarHBondContact OD1-ND2 3.11Å |
| 295 | N | 81 | Confident | 80 | Confident | 133 Ų | 133 | 94.6 Ų | 94.6 | 71% | 0.711 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -27.8 | 177.9 | -68.9 | 2.9 | 0 | 0 | 0 | 112.2 | N292 | N292-N295 HydrophobicContact CB-CB 4.44Å; N292-N295 PolarHBondContact O-N 2.87Å |
| 296 | L | 80 | Confident | 79.7 | Confident | 41 Ų | 41 | 93.2 Ų | 93.2 | 22% | 0.215 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 4.8 | -179.5 | -68.3 | 173 | 0 | 0 | 0 | 113.7 | V278 L282 L291 N292 A293 N294 L298 | V278-L296 HydrophobicContact CG1-CB 4.25Å; V278-L296 HydrophobicContact CG1-CD2 4.18Å; L282-L296 HydrophobicContact CD1-CD1 3.83Å; L291-L296 HydrophobicContact CB-CD1 3.51Å; L291-L296 HydrophobicContact CB-CG 4.22Å; L291-L296 HydrophobicContact CD1-CD1 3.99Å; L291-L296 HydrophobicContact CD1-CD2 4.27Å; L291-L296 HydrophobicContact CG-CD1 4.41Å; N292-L296 PolarHBondContact O-N 3.28Å; A293-L296 PolarHBondContact O-N 2.91Å; N294-L296 PolarHBondContact O-N 3.42Å; L296-L298 HydrophobicContact CB-CD1 3.83Å; L296-L298 HydrophobicContact CB-CG 3.72Å; L296-L298 HydrophobicContact CD1-CD1 3.91Å; L296-L298 PolarHBondContact O-N 3.47Å; L296-L298 VanDerWaalsContact O-N 3.13Å |
| 297 | I | 81.4 | Confident | 79.7 | Confident | 67 Ų | 67 | 92.2 Ų | 92.2 | 34% | 0.344 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 26.8 | -178.3 | -39.8 | 176.9 | 0 | 0 | 0 | 111.3 | K271 A275 A293 N294 | K271-I297 HydrophobicContact CD-CG2 4.21Å; K271-I297 HydrophobicContact CG-CG2 3.62Å; A275-I297 WeakPolarHBondContact CB-O 3.33Å; A293-I297 PolarHBondContact O-N 3.17Å; N294-I297 PolarHBondContact O-N 2.89Å |
| 298 | L | 82.2 | Confident | 79.4 | Confident | 51 Ų | 51 | 88.9 Ų | 88.9 | 27% | 0.267 | 47% | 0.469 | S | S | . | . | trans | -82.1 | -19.6 | 179.3 | -64.8 | 175.3 | 0 | 0 | 0 | 111.8 | A275 V278 A279 L282 A293 L296 I300 | A275-L298 HydrophobicContact CB-CD2 4.17Å; A275-L298 WeakPolarHBondContact O-CD2 3.31Å; V278-L298 HydrophobicContact CB-CD2 4.21Å; V278-L298 HydrophobicContact CG1-CD2 4.07Å; A279-L298 HydrophobicContact CB-CD2 4.34Å; L282-L298 HydrophobicContact CD1-CD1 4.2Å; A293-L298 HydrophobicContact CB-CB 4.28Å; A293-L298 PolarHBondContact O-N 2.77Å; L296-L298 HydrophobicContact CB-CD1 3.83Å; L296-L298 HydrophobicContact CB-CG 3.72Å; L296-L298 HydrophobicContact CD1-CD1 3.91Å; L296-L298 PolarHBondContact O-N 3.47Å; L296-L298 VanDerWaalsContact O-N 3.13Å; L298-I300 PolarHBondContact O-N 2.68Å; L298-I300 VanDerWaalsContact O-N 3.08Å | ||
| 299 | N | 83 | Confident | 79.4 | Confident | 65 Ų | 65 | 78.6 Ų | 78.6 | 35% | 0.348 | 43% | 0.434 | S | S | . | . | trans | -76.6 | 94.1 | 174.5 | -167.5 | -9.6 | 0 | 0 | 0 | 110.5 | K271 N294 G301 S302 | K271-N299 PolarHBondContact NZ-O 2.97Å; N294-N299 WeakPolarHBondContact OD1-CB 3.4Å; N294-N299 PolarHBondContact OD1-ND2 3.11Å; N299-G301 VanDerWaalsContact C-N 3.28Å; N299-G301 PolarHBondContact O-N 3.34Å; N299-G301 PolarHBondContact OD1-N 3.42Å; N299-S302 PolarHBondContact O-OG 2.72Å; N299-S302 PolarHBondContact OD1-N 3.26Å | ||
| 300 | I | 80.7 | Confident | 79.4 | Confident | 101 Ų | 101 | 79.9 Ų | 79.9 | 52% | 0.518 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -32 | -177.2 | -56.7 | 170.3 | 0 | 0 | 0 | 110.7 | K271 I272 L298 | K271-I300 PolarHBondContact NZ-O 3.46Å; I272-I300 HydrophobicContact CD1-CG2 4.39Å; I272-I300 HydrophobicContact CG1-CG2 3.94Å; L298-I300 PolarHBondContact O-N 2.68Å; L298-I300 VanDerWaalsContact O-N 3.08Å |
| 301 | G | 76.1 | Confident | 79.4 | Confident | 67 Ų | 67 | 74.4 Ų | 74.4 | 69% | 0.691 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -11 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | N299 | N299-G301 VanDerWaalsContact C-N 3.28Å; N299-G301 PolarHBondContact O-N 3.34Å; N299-G301 PolarHBondContact OD1-N 3.42Å |
| 302 | S | 76.4 | Confident | 79.2 | Confident | 27 Ų | 27 | 75.4 Ų | 75.4 | 19% | 0.189 | 42% | 0.421 | C | S | . | . | trans | -78 | 126.8 | 174.5 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | K271 N299 D304 | K271-S302 PolarHBondContact NZ-O 3.41Å; N299-S302 PolarHBondContact O-OG 2.72Å; N299-S302 PolarHBondContact OD1-N 3.26Å; S302-D304 VanDerWaalsContact C-N 3.3Å | ||
| 303 | D | 74.3 | Confident | 78.8 | Confident | 91 Ų | 91 | 75 Ų | 75 | 49% | 0.487 | 41% | 0.414 | S | S | . | . | trans | -81 | -7.9 | 177.9 | -79.8 | -22.5 | 0 | 0 | 0 | 113 | F305 L306 Q307 | D303-F305 VanDerWaalsContact C-N 3.27Å; D303-F305 PolarHBondContact O-N 3.33Å; D303-F305 VanDerWaalsContact O-N 3.13Å; D303-L306 WeakPolarHBondContact O-CA 3.28Å; D303-L306 PolarHBondContact O-N 2.93Å; D303-Q307 HydrophobicContact CB-CG 4.39Å; D303-Q307 WeakPolarHBondContact O-CG 3.44Å; D303-Q307 PolarHBondContact O-N 2.7Å | ||
| 304 | D | 77.7 | Confident | 78.6 | Confident | 108 Ų | 108 | 79.7 Ų | 79.7 | 58% | 0.578 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -50.5 | -42.1 | -177.2 | -52.4 | -12.1 | 0 | 0 | 0 | 113.5 | S302 S308 | S302-D304 VanDerWaalsContact C-N 3.3Å; D304-S308 WeakPolarHBondContact O-CB 3.45Å; D304-S308 PolarHBondContact O-N 3.33Å; D304-S308 VanDerWaalsContact O-N 3.09Å; D304-S308 PolarHBondContact O-OG 2.91Å |
| 305 | F | 77.6 | Confident | 78.3 | Confident | 82 Ų | 82 | 82.7 Ų | 82.7 | 36% | 0.36 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.4 | -35.9 | 178.2 | -179.9 | -94.7 | 0 | 0 | 0 | 112.6 | K271 D303 S308 A309 | K271-F305 HydrophobicContact CD-CB 4.45Å; K271-F305 HydrophobicContact CD-CD1 4.01Å; K271-F305 HydrophobicContact CD-CG 4.43Å; K271-F305 HydrophobicContact CG-CD1 4.35Å; D303-F305 VanDerWaalsContact C-N 3.27Å; D303-F305 PolarHBondContact O-N 3.33Å; D303-F305 VanDerWaalsContact O-N 3.13Å; F305-S308 WeakPolarHBondContact CA-OG 3.42Å; F305-S308 PolarHBondContact O-OG 3.16Å; F305-A309 WeakPolarHBondContact O-CB 3.41Å; F305-A309 PolarHBondContact O-N 3.09Å |
| 306 | L | 78.2 | Confident | 77.5 | Confident | 25 Ų | 25 | 85 Ų | 85 | 13% | 0.131 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -78.1 | -39.3 | -179.5 | -62.6 | 173.6 | 0 | 0 | 0 | 110.8 | K268 D303 A309 D310 | K268-L306 HydrophobicContact CD-CD1 4.24Å; K268-L306 HydrophobicContact CG-CD1 3.91Å; K268-L306 HydrophobicContact CG-CD2 3.93Å; D303-L306 WeakPolarHBondContact O-CA 3.28Å; D303-L306 PolarHBondContact O-N 2.93Å; L306-A309 PolarHBondContact O-N 2.86Å; L306-D310 WeakPolarHBondContact O-CB 3.39Å; L306-D310 PolarHBondContact O-N 3.16Å |
| 307 | Q | 80.7 | Confident | 76.5 | Confident | 107 Ų | 107 | 92.3 Ų | 92.3 | 50% | 0.5 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 175.3 | -70.1 | 179.6 | 11 | 0 | 0 | 111.3 | D303 A309 D310 E311 | D303-Q307 HydrophobicContact CB-CG 4.39Å; D303-Q307 WeakPolarHBondContact O-CG 3.44Å; D303-Q307 PolarHBondContact O-N 2.7Å; Q307-A309 VanDerWaalsContact C-N 3.34Å; Q307-A309 PolarHBondContact O-N 2.83Å; Q307-D310 PolarHBondContact O-N 3.28Å; Q307-E311 WeakPolarHBondContact O-CG 3.26Å; Q307-E311 PolarHBondContact O-N 3.24Å |
| 308 | S | 78.5 | Confident | 75 | Confident | 54 Ų | 54 | 101 Ų | 101 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 176 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | D304 F305 L312 | D304-S308 WeakPolarHBondContact O-CB 3.45Å; D304-S308 PolarHBondContact O-N 3.33Å; D304-S308 VanDerWaalsContact O-N 3.09Å; D304-S308 PolarHBondContact O-OG 2.91Å; F305-S308 WeakPolarHBondContact CA-OG 3.42Å; F305-S308 PolarHBondContact O-OG 3.16Å; S308-L312 WeakPolarHBondContact O-CG 3.29Å; S308-L312 PolarHBondContact O-N 3.34Å |
| 309 | A | 77.7 | Confident | 74.6 | Confident | 16 Ų | 16 | 103.5 Ų | 103.5 | 13% | 0.132 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | L267 F305 L306 Q307 E311 L312 F313 | L267-A309 HydrophobicContact CD1-CB 4.46Å; F305-A309 WeakPolarHBondContact O-CB 3.41Å; F305-A309 PolarHBondContact O-N 3.09Å; L306-A309 PolarHBondContact O-N 2.86Å; Q307-A309 VanDerWaalsContact C-N 3.34Å; Q307-A309 PolarHBondContact O-N 2.83Å; A309-E311 VanDerWaalsContact C-N 3.32Å; A309-E311 PolarHBondContact O-N 3.17Å; A309-L312 WeakPolarHBondContact O-CB 3.47Å; A309-L312 PolarHBondContact O-N 2.95Å; A309-L312 VanDerWaalsContact O-N 3.16Å; A309-F313 WeakPolarHBondContact O-CD2 3.25Å; A309-F313 PolarHBondContact O-N 3.45Å |
| 310 | D | 78.6 | Confident | 74.2 | Confident | 83 Ų | 83 | 105.5 Ų | 105.5 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 177.8 | -79.2 | -18.8 | 0 | 0 | 0 | 112.2 | L306 Q307 F313 K314 | L306-D310 WeakPolarHBondContact O-CB 3.39Å; L306-D310 PolarHBondContact O-N 3.16Å; Q307-D310 PolarHBondContact O-N 3.28Å; D310-F313 PolarHBondContact O-N 2.86Å; D310-K314 WeakPolarHBondContact O-CB 3.29Å; D310-K314 VanDerWaalsContact O-CG 3.3Å; D310-K314 WeakPolarHBondContact O-CG 3.26Å; D310-K314 PolarHBondContact O-N 2.83Å |
| 311 | E | 80.7 | Confident | 73.8 | Confident | 115 Ų | 115 | 105.8 Ų | 105.8 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 173.6 | -76.4 | -177.1 | -179.4 | 0 | 0 | 112.5 | Q307 A309 K314 K315 | Q307-E311 WeakPolarHBondContact O-CG 3.26Å; Q307-E311 PolarHBondContact O-N 3.24Å; A309-E311 VanDerWaalsContact C-N 3.32Å; A309-E311 PolarHBondContact O-N 3.17Å; E311-K314 PolarHBondContact O-N 2.99Å; E311-K315 PolarHBondContact O-N 3.44Å |
| 312 | L | 76.8 | Confident | 73.7 | Confident | 122 Ų | 122 | 108.1 Ų | 108.1 | 64% | 0.639 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -41.5 | 175.8 | -69.3 | 171.8 | 0 | 0 | 0 | 111.7 | S308 A309 K314 K315 K316 | S308-L312 WeakPolarHBondContact O-CG 3.29Å; S308-L312 PolarHBondContact O-N 3.34Å; A309-L312 WeakPolarHBondContact O-CB 3.47Å; A309-L312 PolarHBondContact O-N 2.95Å; A309-L312 VanDerWaalsContact O-N 3.16Å; L312-K314 VanDerWaalsContact C-N 3.33Å; L312-K314 PolarHBondContact O-N 2.7Å; L312-K315 PolarHBondContact O-N 3.44Å; L312-K316 PolarHBondContact O-N 3.13Å; L312-K316 VanDerWaalsContact O-N 3.16Å |
| 313 | F | 73.5 | Confident | 73.5 | Confident | 82 Ų | 82 | 113.1 Ų | 113.1 | 36% | 0.36 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.6 | -36.7 | 174.3 | -76 | -68.5 | 0 | 0 | 0 | 112.4 | M260 L267 A309 D310 | M260-F313 HydrophobicContact CB-CZ 4.41Å; L267-F313 HydrophobicContact CD1-CE2 3.89Å; L267-F313 HydrophobicContact CD1-CZ 4.48Å; A309-F313 WeakPolarHBondContact O-CD2 3.25Å; A309-F313 PolarHBondContact O-N 3.45Å; D310-F313 PolarHBondContact O-N 2.86Å |
| 314 | K | 75.4 | Confident | 73.4 | Confident | 147 Ų | 147 | 114.6 Ų | 114.6 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.1 | -40.8 | 174.8 | -75 | 173 | -175.9 | 173.2 | 0 | 112.2 | D310 E311 L312 K316 K317 | D310-K314 WeakPolarHBondContact O-CB 3.29Å; D310-K314 VanDerWaalsContact O-CG 3.3Å; D310-K314 WeakPolarHBondContact O-CG 3.26Å; D310-K314 PolarHBondContact O-N 2.83Å; E311-K314 PolarHBondContact O-N 2.99Å; L312-K314 VanDerWaalsContact C-N 3.33Å; L312-K314 PolarHBondContact O-N 2.7Å; K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 2.83Å; K314-K317 PolarHBondContact O-N 3.36Å |
| 315 | K | 73.6 | Confident | 73.1 | Confident | 152 Ų | 152 | 115.1 Ų | 115.1 | 66% | 0.661 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.3 | -35.8 | 176 | -82.9 | -179.1 | 178.6 | 172.6 | 0 | 112.7 | E311 L312 K317 K318 | E311-K315 PolarHBondContact O-N 3.44Å; L312-K315 PolarHBondContact O-N 3.44Å; K315-K317 VanDerWaalsContact C-N 3.25Å; K315-K317 PolarHBondContact O-N 3.46Å; K315-K318 PolarHBondContact O-N 2.89Å |
| 316 | K | 64.1 | Low | 72.8 | Confident | 183 Ų | 183 | 117.6 Ų | 117.6 | 80% | 0.796 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -15.7 | 179.2 | -161.2 | 178.3 | 179.8 | -177.7 | 0 | 114 | L312 K314 | L312-K316 PolarHBondContact O-N 3.13Å; L312-K316 VanDerWaalsContact O-N 3.16Å; K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 2.83Å |
| 317 | K | 59.5 | Low | 72.3 | Confident | 194 Ų | 194 | 125.3 Ų | 125.3 | 84% | 0.843 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -5.9 | 177.2 | -77 | -173.9 | 176.5 | -179 | 0 | 113.7 | K314 K315 | K314-K317 PolarHBondContact O-N 3.36Å; K315-K317 VanDerWaalsContact C-N 3.25Å; K315-K317 PolarHBondContact O-N 3.46Å |
| 318 | K | 48.7 | Very low | 71.6 | Confident | 249 Ų | 249 | 127 Ų | 127 | 100% | 1.083 | 59% | 0.592 | S | S | * | * | trans | -100.6 | 0 | 171.1 | -74.6 | -170.6 | 175.5 | -173.7 | 0 | 109.8 | K315 | K315-K318 PolarHBondContact O-N 2.89Š|
Retrieved 318 of 318 residues in 396.1 ms
(Link to these results)