| 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 | 36.6 | Very low | 36.8 | Very low | 242 Ų | 242 | 164.1 Ų | 164.1 | 100% | 1.192 | 83% | 0.829 | S | S | * | * | 0 | 126.4 | 0 | -81.3 | 174.7 | 160.5 | 0 | 0 | 107.7 | |||||
| 2 | E | 35.5 | Very low | 36.9 | Very low | 176 Ų | 176 | 164.8 Ų | 164.8 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -83.7 | 147 | 170.6 | -46.8 | 109.7 | 119.2 | 0 | 0 | 111.1 | ||||
| 3 | Y | 32.6 | Very low | 37 | Very low | 220 Ų | 220 | 163.5 Ų | 163.5 | 86% | 0.863 | 83% | 0.829 | S | S | * | * | -166.5 | 132.9 | 122.4 | 59.1 | -88.3 | 0 | 0 | 0 | 108.4 | |||||
| 4 | E | 33 | Very low | 37.2 | Very low | 155 Ų | 155 | 158.1 Ų | 158.1 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | cis | 77.2 | 96.6 | 46.4 | -83.9 | -75.6 | 93.2 | 0 | 0 | 115.9 | ||||
| 5 | V | 37.8 | Very low | 37.8 | Very low | 94 Ų | 94 | 155.1 Ų | 155.1 | 57% | 0.57 | 81% | 0.808 | S | S | * | * | 102.3 | 151.7 | 114.1 | 109.1 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 6 | K | 37.5 | Very low | 38.5 | Very low | 176 Ų | 176 | 156.3 Ų | 156.3 | 77% | 0.765 | 81% | 0.814 | S | S | * | * | trans | 77 | 91 | 161.7 | -77.8 | 157.2 | -156.4 | 153.3 | 0 | 122 | ||||
| 7 | K | 43.8 | Very low | 39.3 | Very low | 210 Ų | 210 | 160.9 Ų | 160.9 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | 31.8 | 117.3 | 115.7 | -66.1 | 173.7 | 178.7 | 167 | 0 | 119.2 | |||||
| 8 | G | 35.5 | Very low | 40.2 | Very low | 81 Ų | 81 | 164.8 Ų | 164.8 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -117.2 | 150.5 | 144.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 9 | K | 39.7 | Very low | 40.3 | Very low | 196 Ų | 196 | 163.6 Ų | 163.6 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | -129.6 | 134.2 | -174.1 | -114.5 | -175.6 | -178.5 | 179.2 | 0 | 112.9 | ||||
| 10 | K | 39.7 | Very low | 40.3 | Very low | 175 Ų | 175 | 161 Ų | 161 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | trans | 53.7 | 102.5 | 157.3 | -64.7 | -172.6 | 172.6 | -169.9 | 0 | 118.4 | ||||
| 11 | G | 33.6 | Very low | 40.4 | Very low | 80 Ų | 80 | 161.2 Ų | 161.2 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | -98.5 | 137.2 | 127.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 12 | F | 37.5 | Very low | 40.8 | Very low | 173 Ų | 173 | 155.3 Ų | 155.3 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -147.5 | 96.3 | -173.9 | -144.1 | -76.8 | 0 | 0 | 0 | 111.2 | ||||
| 13 | V | 38.8 | Very low | 41.3 | Very low | 147 Ų | 147 | 156.9 Ų | 156.9 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -137 | 134.8 | 166.4 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 14 | S | 39.5 | Very low | 41.8 | Very low | 88 Ų | 88 | 150.5 Ų | 150.5 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | trans | -99.9 | -167.1 | -175.3 | -30.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 15 | P | 45.8 | Very low | 42.2 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | -133.9 | 137.6 | -25.4 | 30.6 | -11.8 | 0 | 0 | 0 | 113.3 | ||||
| 16 | I | 49.8 | Very low | 42.9 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -124 | 120.2 | 153.4 | -61.9 | -176.7 | 0 | 0 | 0 | 108.5 | ||||
| 17 | R | 51.5 | Low | 43.1 | Very low | 235 Ų | 235 | 156.9 Ų | 156.9 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | -71.5 | 137.4 | -177.7 | -75.5 | 180 | 170.5 | 175 | -3.2 | 110.4 | L19 | R17-L19 PolarHBondContact O-N 3.12Å; R17-L19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | R | 54.8 | Low | 42.9 | Very low | 231 Ų | 231 | 151.7 Ų | 151.7 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -58.9 | 109.9 | 171 | -76.3 | 176.3 | 173.1 | 163.3 | -4.5 | 110.8 | V20 | R18-V20 HydrophobicContact CB-CG2 4.17Å; R18-V20 HydrophobicContact CG-CG2 4.36Å | ||
| 19 | L | 42.3 | Very low | 42.9 | Very low | 141 Ų | 141 | 152 Ų | 152 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -95.5 | 71.7 | 152.1 | -78.9 | 172.3 | 0 | 0 | 0 | 108.8 | R17 F21 | R17-L19 PolarHBondContact O-N 3.12Å; R17-L19 VanDerWaalsContact O-N 3.12Å; L19-F21 VanDerWaalsContact C-N 3.34Å; L19-F21 HydrophobicContact CB-CE2 4.04Å; L19-F21 HydrophobicContact CB-CZ 4.44Å; L19-F21 PolarHBondContact O-N 3.13Å; L19-F21 VanDerWaalsContact O-N 3.13Å | ||
| 20 | V | 41.7 | Very low | 42.6 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 67% | 0.673 | 79% | 0.794 | S | S | * | * | trans | -78 | 92.1 | 166 | 176.6 | 0 | 0 | 0 | 0 | 106.8 | R18 P22 | R18-V20 HydrophobicContact CB-CG2 4.17Å; R18-V20 HydrophobicContact CG-CG2 4.36Å; V20-P22 VanDerWaalsContact O-CD 3.29Å; V20-P22 WeakPolarHBondContact O-CD 3.29Å | ||
| 21 | F | 42.3 | Very low | 42.9 | Very low | 166 Ų | 166 | 151.7 Ų | 151.7 | 73% | 0.728 | 80% | 0.802 | S | S | * | * | trans | -61.3 | 119.6 | 168.6 | -66.4 | -83.1 | 0 | 0 | 0 | 108.6 | L19 K23 | L19-F21 VanDerWaalsContact C-N 3.34Å; L19-F21 HydrophobicContact CB-CE2 4.04Å; L19-F21 HydrophobicContact CB-CZ 4.44Å; L19-F21 PolarHBondContact O-N 3.13Å; L19-F21 VanDerWaalsContact O-N 3.13Å; F21-K23 PolarHBondContact O-N 3.21Å | ||
| 22 | P | 43.3 | Very low | 43.4 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -61.2 | 125.1 | 173.7 | -20 | 33 | 0 | 0 | 0 | 108.3 | V20 A24 | V20-P22 VanDerWaalsContact O-CD 3.29Å; V20-P22 WeakPolarHBondContact O-CD 3.29Å; P22-A24 VanDerWaalsContact C-N 3.3Å; P22-A24 PolarHBondContact O-N 3.11Å | ||
| 23 | K | 47.5 | Very low | 43.9 | Very low | 209 Ų | 209 | 149.4 Ų | 149.4 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -65.6 | 91.2 | 179.2 | -176.2 | 172.4 | -178.2 | 172.7 | 0 | 108.9 | F21 G25 | F21-K23 PolarHBondContact O-N 3.21Å; K23-G25 PolarHBondContact O-N 2.79Å; K23-G25 VanDerWaalsContact O-N 3.11Å | ||
| 24 | A | 42 | Very low | 44.7 | Very low | 87 Ų | 87 | 147.1 Ų | 147.1 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -53.2 | 119.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | P22 R26 | P22-A24 VanDerWaalsContact C-N 3.3Å; P22-A24 PolarHBondContact O-N 3.11Å; A24-R26 PolarHBondContact O-N 3.29Å | ||
| 25 | G | 41.5 | Very low | 45.7 | Very low | 68 Ų | 68 | 148.6 Ų | 148.6 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -57.3 | 129.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | K23 R27 | K23-G25 PolarHBondContact O-N 2.79Å; K23-G25 VanDerWaalsContact O-N 3.11Å; G25-R27 PolarHBondContact O-N 2.75Å | ||
| 26 | R | 51.8 | Low | 47.3 | Very low | 250 Ų | 250 | 147.1 Ų | 147.1 | 94% | 0.943 | 77% | 0.771 | S | S | * | * | trans | -66.3 | 86.7 | 175.9 | -73.3 | -165.7 | -77 | -156.1 | -1.4 | 108.9 | A24 A28 | A24-R26 PolarHBondContact O-N 3.29Å; R26-A28 PolarHBondContact O-N 3.03Å | ||
| 27 | R | 43 | Very low | 49.1 | Very low | 240 Ų | 240 | 141.2 Ų | 141.2 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | trans | -48.3 | 128.1 | 157.4 | -80.6 | -175.9 | 169.5 | 178.1 | -3.7 | 106.3 | G25 A29 | G25-R27 PolarHBondContact O-N 2.75Å; R27-A29 PolarHBondContact O-N 3.28Å | ||
| 28 | A | 40 | Very low | 50.9 | Low | 101 Ų | 101 | 135.5 Ų | 135.5 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | trans | -59.1 | 115 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | R26 C30 | R26-A28 PolarHBondContact O-N 3.03Å; A28-C30 PolarHBondContact O-N 3.18Å | ||
| 29 | A | 35.3 | Very low | 52.6 | Low | 87 Ų | 87 | 126.1 Ų | 126.1 | 72% | 0.719 | 70% | 0.698 | S | S | * | * | trans | -60.5 | 126.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | R27 R31 | R27-A29 PolarHBondContact O-N 3.28Å; A29-R31 PolarHBondContact O-N 3.28Å | ||
| 30 | C | 33.9 | Very low | 54.9 | Low | 117 Ų | 117 | 122.8 Ų | 122.8 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | trans | -60.6 | 123.9 | 178.8 | -156.3 | 0 | 0 | 0 | 0 | 108.1 | A28 S32 | A28-C30 PolarHBondContact O-N 3.18Å; C30-S32 PolarHBondContact O-N 2.9Å | ||
| 31 | R | 44.3 | Very low | 57.1 | Low | 249 Ų | 249 | 120.8 Ų | 120.8 | 94% | 0.94 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -80.9 | 70.8 | -172.1 | -80.7 | -176.9 | 162.2 | -171.6 | -5 | 111.2 | A29 | A29-R31 PolarHBondContact O-N 3.28Š|
| 32 | S | 45 | Very low | 59.3 | Low | 89 Ų | 89 | 116 Ų | 116 | 62% | 0.622 | 65% | 0.65 | S | S | * | * | trans | -124.1 | 21 | 169.7 | 58.5 | 0 | 0 | 0 | 0 | 112.2 | C30 V34 | C30-S32 PolarHBondContact O-N 2.9Å; S32-V34 PolarHBondContact O-N 2.82Å | ||
| 33 | S | 47.2 | Very low | 61.3 | Low | 115 Ų | 115 | 114.9 Ų | 114.9 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | trans | -76.9 | 53.8 | -179.2 | 67.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 34 | V | 56.7 | Low | 63.1 | Low | 100 Ų | 100 | 106 Ų | 106 | 61% | 0.606 | 61% | 0.605 | S | S | * | * | trans | -65 | 127.7 | 144.3 | 178.9 | 0 | 0 | 0 | 0 | 105.3 | S32 R36 | S32-V34 PolarHBondContact O-N 2.82Å; V34-R36 PolarHBondContact O-N 2.84Å | ||
| 35 | S | 60.3 | Low | 65.2 | Low | 119 Ų | 119 | 110.1 Ų | 110.1 | 83% | 0.832 | 60% | 0.603 | S | S | * | * | trans | -74.7 | 76.7 | 179.5 | 55.5 | 0 | 0 | 0 | 0 | 110.2 | R37 | S35-R37 PolarHBondContact O-N 3.15Š| ||
| 36 | R | 79.6 | Confident | 66.9 | Low | 82 Ų | 82 | 111.1 Ų | 111.1 | 31% | 0.309 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -49.4 | 128.8 | 173.2 | -72.8 | 173.9 | 170.7 | -172 | -1 | 109.2 | V34 D108 D124 | V34-R36 PolarHBondContact O-N 2.84Å; R36-D108 IonicContact CZ-OD2 2.7Å; R36-D108 IonicContact NH1-OD2 3.45Å; R36-D108 PolarHBondContact NH1-OD2 3.05Å; R36-D108 IonicContact NH2-OD2 3.56Å; R36-D108 PolarHBondContact NH2-OD2 3.43Å; R36-D108 VanDerWaalsContact NH2-OD2 3.13Å; R36-D124 IonicContact CZ-OD1 3.13Å; R36-D124 VanDerWaalsContact CZ-OD1 3.3Å; R36-D124 IonicContact CZ-OD2 3.39Å; R36-D124 IonicContact NE-OD1 3.3Å; R36-D124 PolarHBondContact NE-OD1 3.15Å; R36-D124 IonicContact NE-OD2 3.74Å; R36-D124 VanDerWaalsContact NH2-CG 3.25Å; R36-D124 IonicContact NH2-OD1 2.59Å; R36-D124 PolarHBondContact NH2-OD1 3.47Å; R36-D124 VanDerWaalsContact NH2-OD1 3.07Å; R36-D124 IonicContact NH2-OD2 2.71Å; R36-D124 PolarHBondContact NH2-OD2 3.34Å |
| 37 | R | 87.9 | Confident | 67.9 | Low | 51 Ų | 51 | 104.1 Ų | 104.1 | 19% | 0.192 | 58% | 0.584 | C | S | . | * | P | Polyproline II helix | trans | -65.3 | 156.2 | -178.5 | 66.7 | 163.2 | 179.6 | 90.3 | 7.3 | 111.8 | S35 E62 R123 E126 | S35-R37 PolarHBondContact O-N 3.15Å; R37-E62 IonicContact CZ-OE1 3.02Å; R37-E62 IonicContact CZ-OE2 3.92Å; R37-E62 IonicContact NH1-OE1 3.98Å; R37-E62 IonicContact NH1-OE2 2.8Å; R37-E62 PolarHBondContact NH1-OE2 2.71Å; R37-E62 IonicContact NH2-OE1 2.73Å; R37-E62 PolarHBondContact NH2-OE1 2.82Å; R37-E62 IonicContact NH2-OE2 3.33Å; R37-E62 PolarHBondContact NH2-OE2 2.79Å; R37-R123 PolarHBondContact O-NH1 2.8Å; R37-R123 PolarHBondContact O-NH2 2.85Å; R37-E126 IonicContact CZ-OE1 3.15Å; R37-E126 IonicContact NE-OE1 2.66Å; R37-E126 PolarHBondContact NE-OE1 3.13Å; R37-E126 IonicContact NE-OE2 2.74Å; R37-E126 IonicContact NH2-OE1 2.71Å; R37-E126 PolarHBondContact NH2-OE1 2.59Å |
| 38 | P | 88 | Confident | 69.4 | Low | 114 Ų | 114 | 97.5 Ų | 97.5 | 74% | 0.74 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 145.4 | 165.4 | -23.3 | 34.4 | 0 | 0 | 0 | 111.7 | ||
| 39 | L | 90.6 | Very high | 71.4 | Confident | 35 Ų | 35 | 93.3 Ų | 93.3 | 18% | 0.183 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 145.9 | 169.2 | -58.3 | -178.1 | 0 | 0 | 0 | 110.1 | S41 E62 E64 I110 | L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.38Å; L39-E62 WeakPolarHBondContact CA-OE2 3.23Å; L39-E62 HydrophobicContact CB-CB 4.01Å; L39-E62 HydrophobicContact CD2-CB 4.37Å; L39-E64 HydrophobicContact CD1-CB 3.88Å; L39-E64 HydrophobicContact CD1-CG 3.83Å; L39-E64 HydrophobicContact CD2-CG 4.39Å; L39-I110 HydrophobicContact CD2-CD1 3.82Å; L39-I110 HydrophobicContact CD2-CG1 3.86Å; L39-I110 HydrophobicContact CD2-CG2 4.02Å |
| 40 | H | 90.2 | Very high | 73.8 | Confident | 70 Ų | 70 | 95.3 Ų | 95.3 | 32% | 0.324 | 53% | 0.527 | S | S | . | . | trans | -74.3 | 82.5 | 167.3 | -169.6 | 34.6 | 0 | 0 | 0 | 109.8 | D59 Y60 E62 | H40-D59 IonicContact CD2-OD1 3.12Å; H40-D59 IonicContact CD2-OD2 3.7Å; H40-D59 IonicContact CE1-OD2 2.72Å; H40-D59 VanDerWaalsContact NE2-CG 3.3Å; H40-D59 IonicContact NE2-OD1 3.57Å; H40-D59 PolarHBondContact NE2-OD1 3.47Å; H40-D59 IonicContact NE2-OD2 2.74Å; H40-D59 PolarHBondContact NE2-OD2 3.29Å; H40-Y60 HydrophobicContact CB-CE2 4.25Å; H40-Y60 AromaticContact CD2-CE2 3.97Å; H40-Y60 AromaticContact CD2-CZ 3.92Å; H40-Y60 PolarHBondContact CD2-O 3.21Å; H40-Y60 PolarHBondContact NE2-O 3.16Å; H40-E62 HydrophobicContact CB-CB 4.44Å; H40-E62 HydrophobicContact CB-CG 4.16Å; H40-E62 PolarHBondContact N-OE2 2.78Å; H40-E62 PolarHBondContact O-N 2.66Å | ||
| 41 | S | 89.5 | Confident | 76.4 | Confident | 69 Ų | 69 | 90.4 Ų | 90.4 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | trans | -131.2 | 145.4 | -173.4 | 62.4 | 0 | 0 | 0 | 0 | 112.7 | L39 E62 | L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.38Å; S41-E62 WeakPolarHBondContact CB-O 3.45Å | ||
| 42 | M | 87.1 | Confident | 78.3 | Confident | 67 Ų | 67 | 83 Ų | 83 | 33% | 0.33 | 47% | 0.472 | S | S | . | . | trans | -112.2 | 140.9 | 177.9 | -169.1 | 170 | 71.5 | 0 | 0 | 109.4 | L44 I51 I55 L61 | M42-L44 HydrophobicContact CB-CD2 4.5Å; M42-L44 HydrophobicContact CE-CD2 3.64Å; M42-L44 HydrophobicContact CG-CD2 4.48Å; M42-L44 PolarHBondContact O-N 2.77Å; M42-I51 HydrophobicContact CE-CB 4.45Å; M42-I51 HydrophobicContact CE-CD1 3.72Å; M42-I51 HydrophobicContact CE-CG1 3.74Å; M42-I51 HydrophobicContact CE-CG2 4.43Å; M42-I55 HydrophobicContact CE-CD1 3.93Å; M42-I55 HydrophobicContact SD-CD1 3.95Å; M42-L61 HydrophobicContact CB-CD2 4.19Å | ||
| 43 | P | 85.6 | Confident | 80.3 | Confident | 94 Ų | 94 | 81.5 Ų | 81.5 | 61% | 0.61 | 46% | 0.46 | S | S | * | . | trans | -74.2 | 117.4 | 177 | 28.9 | -33.9 | 0 | 0 | 0 | 110.9 | ||||
| 44 | L | 86.4 | Confident | 82 | Confident | 21 Ų | 21 | 81.3 Ų | 81.3 | 11% | 0.11 | 45% | 0.447 | C | S | . | . | trans | -106.5 | 157.3 | 176.2 | -48.1 | -177.5 | 0 | 0 | 0 | 110.6 | M42 Y49 I51 E314 L318 | M42-L44 HydrophobicContact CB-CD2 4.5Å; M42-L44 HydrophobicContact CE-CD2 3.64Å; M42-L44 HydrophobicContact CG-CD2 4.48Å; M42-L44 PolarHBondContact O-N 2.77Å; L44-Y49 HydrophobicContact CB-CD1 4.01Å; L44-I51 HydrophobicContact CD1-CD1 3.75Å; L44-I51 HydrophobicContact CD1-CG1 3.88Å; L44-I51 HydrophobicContact CD2-CD1 3.68Å; L44-I51 HydrophobicContact CD2-CG1 3.5Å; L44-I51 VanDerWaalsContact CD2-CG1 3.5Å; L44-I51 HydrophobicContact CG-CD1 4.33Å; L44-I51 HydrophobicContact CG-CG1 4.36Å; L44-E314 HydrophobicContact CB-CG 4.43Å; L44-E314 WeakPolarHBondContact CB-OE1 3.39Å; L44-E314 HydrophobicContact CD1-CG 3.86Å; L44-E314 WeakPolarHBondContact CD1-OE1 3.42Å; L44-E314 WeakPolarHBondContact CG-OE1 3.44Å; L44-L318 HydrophobicContact CD1-CD1 4Å; L44-L318 HydrophobicContact CD1-CD2 3.7Å; L44-L318 HydrophobicContact CD1-CG 4.06Å | ||
| 45 | Y | 84.7 | Confident | 83.5 | Confident | 175 Ų | 175 | 78.8 Ų | 78.8 | 69% | 0.686 | 43% | 0.429 | S | S | * | . | trans | -125 | 137.6 | -175.1 | -61.9 | -80.7 | 0 | 0 | 0 | 111.2 | Y49 | Y45-Y49 WeakPolarHBondContact O-CA 3.29Å; Y45-Y49 PolarHBondContact O-N 3.07Å | ||
| 46 | P | 78.6 | Confident | 84.8 | Confident | 88 Ų | 88 | 73.1 Ų | 73.1 | 57% | 0.571 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 159.4 | 172.5 | -15.6 | 27.1 | 0 | 0 | 0 | 112 | Y49 | P46-Y49 HydrophobicContact CB-CE1 4.28Å; P46-Y49 HydrophobicContact CB-CE2 4.46Å; P46-Y49 HydrophobicContact CG-CE1 3.79Å |
| 47 | P | 73.1 | Confident | 85.2 | Confident | 104 Ų | 104 | 72 Ų | 72 | 68% | 0.675 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.7 | -27 | 4.8 | 31.4 | -31.4 | 0 | 0 | 0 | 114.1 | Y49 | P47-Y49 VanDerWaalsContact O-CD2 3.31Å; P47-Y49 WeakPolarHBondContact O-CD2 3.48Å; P47-Y49 WeakPolarHBondContact O-CE2 3.48Å |
| 48 | D | 72.7 | Confident | 85 | Confident | 100 Ų | 100 | 74.6 Ų | 74.6 | 54% | 0.535 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -11.3 | -164.2 | -51.7 | -54.2 | 0 | 0 | 0 | 114 | L50 | D48-L50 VanDerWaalsContact C-N 3.25Å; D48-L50 HydrophobicContact CB-CD1 4.43Å; D48-L50 HydrophobicContact CB-CD2 3.81Å; D48-L50 HydrophobicContact CB-CG 3.8Å; D48-L50 PolarHBondContact O-N 2.74Å |
| 49 | Y | 83.6 | Confident | 85.2 | Confident | 14 Ų | 14 | 72.1 Ų | 72.1 | 6% | 0.055 | 40% | 0.395 | C | S | . | . | trans | 47.6 | 44.1 | 179.3 | -54.3 | -85.3 | 0 | 0 | 0 | 113.7 | L44 Y45 P46 P47 D310 E313 E314 A317 Q321 | L44-Y49 HydrophobicContact CB-CD1 4.01Å; Y45-Y49 WeakPolarHBondContact O-CA 3.29Å; Y45-Y49 PolarHBondContact O-N 3.07Å; P46-Y49 HydrophobicContact CB-CE1 4.28Å; P46-Y49 HydrophobicContact CB-CE2 4.46Å; P46-Y49 HydrophobicContact CG-CE1 3.79Å; P47-Y49 VanDerWaalsContact O-CD2 3.31Å; P47-Y49 WeakPolarHBondContact O-CD2 3.48Å; P47-Y49 WeakPolarHBondContact O-CE2 3.48Å; Y49-D310 PolarHBondContact OH-O 3.23Å; Y49-E313 HydrophobicContact CE2-CB 4.04Å; Y49-E314 HydrophobicContact CD1-CB 3.82Å; Y49-E314 HydrophobicContact CD1-CG 3.74Å; Y49-E314 HydrophobicContact CD2-CB 4.5Å; Y49-E314 HydrophobicContact CE1-CB 3.87Å; Y49-E314 HydrophobicContact CE1-CG 4.23Å; Y49-E314 HydrophobicContact CG-CB 4.13Å; Y49-E314 HydrophobicContact CG-CG 4.11Å; Y49-A317 HydrophobicContact CD2-CB 3.91Å; Y49-A317 HydrophobicContact CG-CB 4.34Å; Y49-Q321 PolarHBondContact O-NE2 3.43Å | ||
| 50 | L | 84.9 | Confident | 85.2 | Confident | 128 Ų | 128 | 72.6 Ų | 72.6 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | trans | -66 | 141.8 | -172 | -60.4 | 178.4 | 0 | 0 | 0 | 113.3 | D48 | D48-L50 VanDerWaalsContact C-N 3.25Å; D48-L50 HydrophobicContact CB-CD1 4.43Å; D48-L50 HydrophobicContact CB-CD2 3.81Å; D48-L50 HydrophobicContact CB-CG 3.8Å; D48-L50 PolarHBondContact O-N 2.74Å | ||
| 51 | I | 87.8 | Confident | 85.3 | Confident | 15 Ų | 15 | 69.7 Ų | 69.7 | 8% | 0.077 | 38% | 0.381 | C | S | . | . | trans | -128.8 | 148.8 | 174.5 | -73 | -155.7 | 0 | 0 | 0 | 110.2 | M42 L44 P53 I55 L56 L61 L318 | M42-I51 HydrophobicContact CE-CB 4.45Å; M42-I51 HydrophobicContact CE-CD1 3.72Å; M42-I51 HydrophobicContact CE-CG1 3.74Å; M42-I51 HydrophobicContact CE-CG2 4.43Å; L44-I51 HydrophobicContact CD1-CD1 3.75Å; L44-I51 HydrophobicContact CD1-CG1 3.88Å; L44-I51 HydrophobicContact CD2-CD1 3.68Å; L44-I51 HydrophobicContact CD2-CG1 3.5Å; L44-I51 VanDerWaalsContact CD2-CG1 3.5Å; L44-I51 HydrophobicContact CG-CD1 4.33Å; L44-I51 HydrophobicContact CG-CG1 4.36Å; I51-P53 VanDerWaalsContact O-CD 3.3Å; I51-P53 WeakPolarHBondContact O-CD 3.46Å; I51-I55 HydrophobicContact CG2-CB 4.09Å; I51-I55 HydrophobicContact CG2-CD1 4.37Å; I51-L56 HydrophobicContact CG2-CD1 4.16Å; I51-L56 HydrophobicContact CG2-CG 4.09Å; I51-L61 HydrophobicContact CD1-CD1 3.13Å; I51-L318 HydrophobicContact CB-CD2 4.44Å; I51-L318 HydrophobicContact CD1-CD2 3.38Å; I51-L318 HydrophobicContact CG1-CD2 3.77Å | ||
| 52 | D | 85.9 | Confident | 85.6 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 49% | 0.492 | 36% | 0.358 | S | S | . | . | trans | -63.5 | 117.3 | 165.3 | 176.7 | -2.9 | 0 | 0 | 0 | 109.9 | Q54 I55 | D52-Q54 PolarHBondContact O-N 3.37Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.39Å; D52-Q54 WeakPolarHBondContact OD1-CG 3.44Å; D52-Q54 PolarHBondContact OD1-N 3.45Å; D52-I55 HydrophobicContact CB-CD1 4.14Å; D52-I55 HydrophobicContact CB-CG1 4.24Å; D52-I55 WeakPolarHBondContact O-CB 3.39Å; D52-I55 PolarHBondContact O-N 3.39Å | ||
| 53 | P | 85.4 | Confident | 85.9 | Confident | 59 Ų | 59 | 64.5 Ų | 64.5 | 38% | 0.383 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -50.3 | -28.4 | 179.1 | -31 | 38.6 | 0 | 0 | 0 | 115 | I51 I55 L56 L57 I325 | I51-P53 VanDerWaalsContact O-CD 3.3Å; I51-P53 WeakPolarHBondContact O-CD 3.46Å; P53-I55 PolarHBondContact O-N 3.23Å; P53-L56 PolarHBondContact O-N 3.33Å; P53-L56 VanDerWaalsContact O-N 3.13Å; P53-L57 WeakPolarHBondContact O-CG 3.19Å; P53-L57 PolarHBondContact O-N 3.42Å; P53-L57 VanDerWaalsContact O-N 3.1Å; P53-I325 HydrophobicContact CB-CD1 3.73Å; P53-I325 HydrophobicContact CB-CG1 4.04Å; P53-I325 HydrophobicContact CG-CD1 4.4Å |
| 54 | Q | 84.4 | Confident | 86.3 | Confident | 110 Ų | 110 | 64.9 Ų | 64.9 | 51% | 0.514 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.7 | -32.2 | 177.5 | -59.4 | -55.9 | -38.5 | 0 | 0 | 112.5 | D52 L56 L57 C58 | D52-Q54 PolarHBondContact O-N 3.37Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.39Å; D52-Q54 WeakPolarHBondContact OD1-CG 3.44Å; D52-Q54 PolarHBondContact OD1-N 3.45Å; Q54-L56 VanDerWaalsContact C-N 3.35Å; Q54-L57 PolarHBondContact O-N 3.38Å; Q54-C58 WeakPolarHBondContact O-CB 3.32Å; Q54-C58 PolarHBondContact O-N 3.41Å |
| 55 | I | 87.4 | Confident | 86.7 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 24% | 0.241 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 175.9 | -59.8 | 174.7 | 0 | 0 | 0 | 110.2 | M42 I51 D52 P53 L57 D59 L61 | M42-I55 HydrophobicContact CE-CD1 3.93Å; M42-I55 HydrophobicContact SD-CD1 3.95Å; I51-I55 HydrophobicContact CG2-CB 4.09Å; I51-I55 HydrophobicContact CG2-CD1 4.37Å; D52-I55 HydrophobicContact CB-CD1 4.14Å; D52-I55 HydrophobicContact CB-CG1 4.24Å; D52-I55 WeakPolarHBondContact O-CB 3.39Å; D52-I55 PolarHBondContact O-N 3.39Å; P53-I55 PolarHBondContact O-N 3.23Å; I55-L57 VanDerWaalsContact C-N 3.34Å; I55-D59 HydrophobicContact CG2-CB 4.47Å; I55-D59 CarbonylContact O-C 3.56Å; I55-D59 VanDerWaalsContact O-CA 3.27Å; I55-D59 WeakPolarHBondContact O-CA 3.19Å; I55-D59 VanDerWaalsContact O-CB 3.32Å; I55-D59 WeakPolarHBondContact O-CB 3.41Å; I55-D59 PolarHBondContact O-N 3.46Å; I55-L61 HydrophobicContact CG2-CD1 4.19Å; I55-L61 HydrophobicContact CG2-CD2 4.42Å; I55-L61 HydrophobicContact CG2-CG 4.28Å |
| 56 | L | 86.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -75.4 | -22.5 | 179.6 | -66.6 | 168.1 | 0 | 0 | 0 | 113.1 | I51 P53 Q54 L61 A115 Q321 V322 I325 | I51-L56 HydrophobicContact CG2-CD1 4.16Å; I51-L56 HydrophobicContact CG2-CG 4.09Å; P53-L56 PolarHBondContact O-N 3.33Å; P53-L56 VanDerWaalsContact O-N 3.13Å; Q54-L56 VanDerWaalsContact C-N 3.35Å; L56-L61 HydrophobicContact CD2-CD1 4.11Å; L56-A115 WeakPolarHBondContact O-CB 3.42Å; L56-A115 PolarHBondContact O-N 3.46Å; L56-Q321 HydrophobicContact CD1-CB 4.3Å; L56-V322 HydrophobicContact CD1-CG2 4.01Å; L56-V322 HydrophobicContact CD2-CG2 4.08Å; L56-V322 HydrophobicContact CG-CG2 4.44Å; L56-I325 HydrophobicContact CB-CD1 4.03Å; L56-I325 HydrophobicContact CD1-CD1 3.81Å |
| 57 | L | 87.9 | Confident | 87.9 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 30% | 0.304 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -86.5 | -42.7 | 178.6 | -72.9 | 166.7 | 0 | 0 | 0 | 113.2 | P53 Q54 I55 A115 R116 I325 | P53-L57 WeakPolarHBondContact O-CG 3.19Å; P53-L57 PolarHBondContact O-N 3.42Å; P53-L57 VanDerWaalsContact O-N 3.1Å; Q54-L57 PolarHBondContact O-N 3.38Å; I55-L57 VanDerWaalsContact C-N 3.34Å; L57-A115 HydrophobicContact CD2-CB 4.01Å; L57-R116 PolarHBondContact O-NH1 2.82Å; L57-R116 PolarHBondContact O-NH2 3.34Å; L57-R116 VanDerWaalsContact O-NH2 3.15Å; L57-I325 HydrophobicContact CD1-CG2 4.36Å; L57-I325 HydrophobicContact CD2-CG2 3.71Å; L57-I325 HydrophobicContact CG-CG2 4.08Å |
| 58 | C | 85 | Confident | 88.9 | Confident | 106 Ų | 106 | 51.4 Ų | 51.4 | 72% | 0.716 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -98.8 | -22.9 | -174.3 | -66.3 | 0 | 0 | 0 | 0 | 113.9 | Q54 | Q54-C58 WeakPolarHBondContact O-CB 3.32Å; Q54-C58 PolarHBondContact O-N 3.41Å |
| 59 | D | 90.6 | Very high | 89.8 | Confident | 62 Ų | 62 | 47 Ų | 47 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -131.6 | -165 | -175.8 | -159.4 | -1.4 | 0 | 0 | 0 | 110.6 | H40 I55 | H40-D59 IonicContact CD2-OD1 3.12Å; H40-D59 IonicContact CD2-OD2 3.7Å; H40-D59 IonicContact CE1-OD2 2.72Å; H40-D59 VanDerWaalsContact NE2-CG 3.3Å; H40-D59 IonicContact NE2-OD1 3.57Å; H40-D59 PolarHBondContact NE2-OD1 3.47Å; H40-D59 IonicContact NE2-OD2 2.74Å; H40-D59 PolarHBondContact NE2-OD2 3.29Å; I55-D59 HydrophobicContact CG2-CB 4.47Å; I55-D59 CarbonylContact O-C 3.56Å; I55-D59 VanDerWaalsContact O-CA 3.27Å; I55-D59 WeakPolarHBondContact O-CA 3.19Å; I55-D59 VanDerWaalsContact O-CB 3.32Å; I55-D59 WeakPolarHBondContact O-CB 3.41Å; I55-D59 PolarHBondContact O-N 3.46Å |
| 60 | Y | 91.2 | Very high | 90.1 | Very high | 45 Ų | 45 | 48 Ų | 48 | 18% | 0.176 | 25% | 0.251 | C | S | . | . | trans | -140.5 | 163.9 | 177.8 | 60 | -74.2 | 0 | 0 | 0 | 110.7 | H40 E62 S112 L113 W350 | H40-Y60 HydrophobicContact CB-CE2 4.25Å; H40-Y60 AromaticContact CD2-CE2 3.97Å; H40-Y60 AromaticContact CD2-CZ 3.92Å; H40-Y60 PolarHBondContact CD2-O 3.21Å; H40-Y60 PolarHBondContact NE2-O 3.16Å; Y60-E62 HydrophobicContact CD2-CG 4Å; Y60-E62 HydrophobicContact CE2-CG 4.01Å; Y60-S112 WeakPolarHBondContact CD2-OG 3.34Å; Y60-L113 CarbonylContact C-O 3.2Å; Y60-L113 VanDerWaalsContact CA-O 3.25Å; Y60-L113 WeakPolarHBondContact CA-O 3.34Å; Y60-L113 WeakPolarHBondContact CB-O 3.4Å; Y60-W350 PolarHBondContact OH-NE1 3.49Å | ||
| 61 | L | 93.6 | Very high | 90.4 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 131.5 | 177.7 | -71.1 | 167 | 0 | 0 | 0 | 111.6 | M42 I51 I55 L56 S112 L113 | M42-L61 HydrophobicContact CB-CD2 4.19Å; I51-L61 HydrophobicContact CD1-CD1 3.13Å; I55-L61 HydrophobicContact CG2-CD1 4.19Å; I55-L61 HydrophobicContact CG2-CD2 4.42Å; I55-L61 HydrophobicContact CG2-CG 4.28Å; L56-L61 HydrophobicContact CD2-CD1 4.11Å; L61-S112 CarbonylContact O-C 3.55Å; L61-S112 WeakPolarHBondContact O-CA 3.17Å; L61-L113 PolarHBondContact N-O 3.5Å; L61-L113 PolarHBondContact O-N 3.02Å |
| 62 | E | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.9 | -173.5 | -69.4 | -175.7 | 145.9 | 0 | 0 | 112.2 | R37 L39 H40 S41 Y60 I110 L111 | R37-E62 IonicContact CZ-OE1 3.02Å; R37-E62 IonicContact CZ-OE2 3.92Å; R37-E62 IonicContact NH1-OE1 3.98Å; R37-E62 IonicContact NH1-OE2 2.8Å; R37-E62 PolarHBondContact NH1-OE2 2.71Å; R37-E62 IonicContact NH2-OE1 2.73Å; R37-E62 PolarHBondContact NH2-OE1 2.82Å; R37-E62 IonicContact NH2-OE2 3.33Å; R37-E62 PolarHBondContact NH2-OE2 2.79Å; L39-E62 WeakPolarHBondContact CA-OE2 3.23Å; L39-E62 HydrophobicContact CB-CB 4.01Å; L39-E62 HydrophobicContact CD2-CB 4.37Å; H40-E62 HydrophobicContact CB-CB 4.44Å; H40-E62 HydrophobicContact CB-CG 4.16Å; H40-E62 PolarHBondContact N-OE2 2.78Å; H40-E62 PolarHBondContact O-N 2.66Å; S41-E62 WeakPolarHBondContact CB-O 3.45Å; Y60-E62 HydrophobicContact CD2-CG 4Å; Y60-E62 HydrophobicContact CE2-CG 4.01Å; E62-I110 HydrophobicContact CB-CG2 3.63Å; E62-I110 HydrophobicContact CG-CG2 3.71Å; E62-L111 WeakPolarHBondContact CA-O 3.23Å |
| 63 | K | 93.7 | Very high | 90.3 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 12% | 0.122 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 139.1 | 172.7 | -63.3 | -65.2 | 178.8 | 174.7 | 0 | 110.4 | I110 L111 E314 | K63-I110 WeakPolarHBondContact O-CA 3.23Å; K63-L111 PolarHBondContact N-O 2.77Å; K63-L111 PolarHBondContact O-N 2.93Å; K63-E314 WeakPolarHBondContact CE-OE2 3.27Å; K63-E314 IonicContact NZ-OE1 2.68Å; K63-E314 PolarHBondContact NZ-OE1 3.34Å; K63-E314 IonicContact NZ-OE2 3.68Å; K63-E314 PolarHBondContact NZ-OE2 3.1Å |
| 64 | E | 93.1 | Very high | 90.4 | Very high | 101 Ų | 101 | 46.7 Ų | 46.7 | 47% | 0.472 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 121.6 | 172.8 | -111.1 | 161.4 | -148 | 0 | 0 | 109.6 | L39 R123 | L39-E64 HydrophobicContact CD1-CB 3.88Å; L39-E64 HydrophobicContact CD1-CG 3.83Å; L39-E64 HydrophobicContact CD2-CG 4.39Å; E64-R123 IonicContact OE1-CZ 2.8Å; E64-R123 IonicContact OE1-NE 2.78Å; E64-R123 PolarHBondContact OE1-NE 2.8Å; E64-R123 IonicContact OE1-NH2 2.65Å; E64-R123 PolarHBondContact OE1-NH2 3.11Å |
| 65 | V | 94.9 | Very high | 90.4 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | -179.8 | 177.7 | -60.1 | 0 | 0 | 0 | 0 | 108.9 | S109 L111 L120 L304 A305 V306 | V65-S109 PolarHBondContact N-O 2.82Å; V65-S109 PolarHBondContact O-N 3.13Å; V65-L111 HydrophobicContact CG1-CB 4.09Å; V65-L111 HydrophobicContact CG1-CD2 4.42Å; V65-L111 HydrophobicContact CG2-CB 3.86Å; V65-L120 HydrophobicContact CG2-CD1 3.82Å; V65-L304 HydrophobicContact CG2-CD1 4.42Å; V65-L304 HydrophobicContact CG2-CD2 4.33Å; V65-A305 CarbonylContact C-O 3.51Å; V65-A305 WeakPolarHBondContact CA-O 3.19Å; V65-V306 HydrophobicContact CG1-CG2 4.38Å |
| 66 | K | 94.8 | Very high | 90.2 | Very high | 55 Ų | 55 | 44.6 Ų | 44.6 | 24% | 0.239 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129 | 167.7 | -63 | 176.7 | -179.9 | -73.3 | 0 | 109.5 | L68 T103 T104 Q107 D108 L304 A305 | K66-L68 HydrophobicContact CB-CD2 4.43Å; K66-L68 PolarHBondContact O-N 3.47Å; K66-T103 HydrophobicContact CD-CG2 4.18Å; K66-T104 PolarHBondContact NZ-O 3.49Å; K66-Q107 CarbonylContact C-O 3.57Å; K66-Q107 WeakPolarHBondContact CA-O 2.98Å; K66-Q107 HydrophobicContact CB-CB 4.32Å; K66-D108 IonicContact NZ-OD1 3.31Å; K66-D108 PolarHBondContact NZ-OD1 3.33Å; K66-L304 CarbonylContact O-C 3.59Å; K66-L304 WeakPolarHBondContact O-CA 3.38Å; K66-A305 HydrophobicContact CB-CB 4.3Å; K66-A305 PolarHBondContact N-O 2.76Å; K66-A305 PolarHBondContact O-N 2.95Å |
| 67 | F | 94.9 | Very high | 90 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 117.9 | 173.9 | -178.5 | -126.6 | 0 | 0 | 0 | 109.3 | G69 H70 Q107 S109 L120 W122 I129 L130 V302 L304 | F67-G69 VanDerWaalsContact CE2-O 3.25Å; F67-G69 WeakPolarHBondContact CE2-O 3.36Å; F67-H70 HydrophobicContact CE2-CB 4.34Å; F67-H70 HydrophobicContact CZ-CB 4.02Å; F67-Q107 PolarHBondContact N-O 3.23Å; F67-S109 PolarHBondContact N-OG 2.87Å; F67-L120 HydrophobicContact CB-CD2 4.02Å; F67-L120 HydrophobicContact CD2-CD2 3.44Å; F67-L120 VanDerWaalsContact CD2-CD2 3.44Å; F67-L120 HydrophobicContact CE2-CD2 4.04Å; F67-L120 HydrophobicContact CG-CD2 3.81Å; F67-W122 HydrophobicContact CB-CH2 4.41Å; F67-W122 HydrophobicContact CB-CZ3 4.25Å; F67-W122 AromaticContact CD1-CH2 3.83Å; F67-W122 HydrophobicContact CD1-CH2 3.83Å; F67-W122 HydrophobicContact CD1-CZ2 4.34Å; F67-W122 HydrophobicContact CD1-CZ3 4.47Å; F67-I129 HydrophobicContact CB-CD1 4.34Å; F67-I129 HydrophobicContact CD1-CD1 4.25Å; F67-I129 HydrophobicContact CD1-CG2 4.05Å; F67-I129 HydrophobicContact CE1-CG2 3.79Å; F67-I129 HydrophobicContact CG-CD1 4.43Å; F67-I129 HydrophobicContact CZ-CG2 4.29Å; F67-L130 HydrophobicContact CE2-CD1 3.65Å; F67-L130 HydrophobicContact CZ-CD1 3.89Å; F67-V302 HydrophobicContact CE2-CG1 4.28Å; F67-L304 HydrophobicContact CD2-CD2 4.02Å |
| 68 | L | 92.6 | Very high | 89.8 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -37 | 175.6 | -54 | -165.7 | 0 | 0 | 0 | 111.4 | K66 L99 P100 T103 L150 I303 A305 | K66-L68 HydrophobicContact CB-CD2 4.43Å; K66-L68 PolarHBondContact O-N 3.47Å; L68-L99 HydrophobicContact CB-CD2 4.39Å; L68-P100 HydrophobicContact CB-CG 4.08Å; L68-P100 HydrophobicContact CD2-CG 4.23Å; L68-P100 WeakPolarHBondContact O-CD 3.42Å; L68-T103 HydrophobicContact CD2-CG2 3.96Å; L68-L150 HydrophobicContact CD1-CD2 3.73Å; L68-I303 HydrophobicContact CB-CB 4.33Å; L68-I303 HydrophobicContact CB-CG2 4.11Å; L68-I303 HydrophobicContact CD1-CG2 4.12Å; L68-I303 HydrophobicContact CG-CG2 4.44Å; L68-I303 PolarHBondContact N-O 2.86Å; L68-A305 HydrophobicContact CD1-CB 4.14Å; L68-A305 HydrophobicContact CD2-CB 4.08Å; L68-A305 HydrophobicContact CG-CB 4.19Å |
| 69 | G | 91.3 | Very high | 89.7 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 8% | 0.082 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.3 | 178.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F67 I303 | F67-G69 VanDerWaalsContact CE2-O 3.25Å; F67-G69 WeakPolarHBondContact CE2-O 3.36Å; G69-I303 PolarHBondContact N-O 2.87Å; G69-I303 PolarHBondContact O-N 3.47Å |
| 70 | H | 91.1 | Very high | 89.3 | Confident | 35 Ų | 35 | 43.6 Ų | 43.6 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 112.7 | 178.6 | 176.1 | -129.1 | 0 | 0 | 0 | 107.9 | F67 L130 V159 N300 | F67-H70 HydrophobicContact CE2-CB 4.34Å; F67-H70 HydrophobicContact CZ-CB 4.02Å; H70-L130 HydrophobicContact CB-CD1 4.49Å; H70-V159 PolarHBondContact CE1-O 3.45Å; H70-V159 PolarHBondContact NE2-O 2.95Å; H70-N300 PolarHBondContact CE1-ND2 3.42Å; H70-N300 WeakPolarHBondContact NE2-CB 3.3Å; H70-N300 PolarHBondContact NE2-ND2 2.71Å |
| 71 | L | 90.8 | Very high | 89 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 117.7 | 179.8 | -57.6 | -178.2 | 0 | 0 | 0 | 109 | V74 L89 A93 E98 L99 N300 L301 I303 | L71-V74 HydrophobicContact CB-CG2 4.06Å; L71-L89 HydrophobicContact CD1-CD2 3.45Å; L71-L89 VanDerWaalsContact CD1-CD2 3.45Å; L71-A93 HydrophobicContact CD1-CB 3.82Å; L71-A93 HydrophobicContact CD2-CB 3.85Å; L71-E98 HydrophobicContact CD2-CB 4.21Å; L71-L99 HydrophobicContact CD1-CD1 4.13Å; L71-L99 HydrophobicContact CD2-CD2 4.18Å; L71-L99 HydrophobicContact CD2-CG 4.11Å; L71-N300 CarbonylContact O-C 3.59Å; L71-N300 VanDerWaalsContact O-CA 3.31Å; L71-N300 WeakPolarHBondContact O-CA 3.19Å; L71-L301 HydrophobicContact CB-CB 4.36Å; L71-L301 PolarHBondContact N-O 2.74Å; L71-L301 PolarHBondContact O-N 3.25Å; L71-I303 HydrophobicContact CD1-CG1 4.35Å; L71-I303 HydrophobicContact CG-CG1 4.34Å |
| 72 | T | 89.4 | Confident | 88.7 | Confident | 64 Ų | 64 | 44.5 Ų | 44.5 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 167.8 | 175.9 | 54.4 | 0 | 0 | 0 | 0 | 110.9 | V74 N300 | T72-V74 PolarHBondContact O-N 2.91Å; T72-V74 VanDerWaalsContact O-N 3.15Å; T72-N300 WeakPolarHBondContact CA-OD1 3.2Å |
| 73 | W | 83.3 | Confident | 88.3 | Confident | 179 Ų | 179 | 46.9 Ų | 46.9 | 68% | 0.678 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 59.4 | 24.9 | 176.4 | -50.1 | 102.2 | 0 | 0 | 0 | 115.3 | Y298 | W73-Y298 HydrophobicContact CB-CD1 4.49Å; W73-Y298 HydrophobicContact CE3-CD2 4.23Å; W73-Y298 HydrophobicContact CE3-CG 4.15Å; W73-Y298 WeakPolarHBondContact O-CD1 3.29Å |
| 74 | V | 86.6 | Confident | 88.2 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 136.4 | 172.9 | 173.6 | 0 | 0 | 0 | 0 | 109.1 | L71 T72 S76 L78 L89 Y298 C299 L301 | L71-V74 HydrophobicContact CB-CG2 4.06Å; T72-V74 PolarHBondContact O-N 2.91Å; T72-V74 VanDerWaalsContact O-N 3.15Å; V74-S76 PolarHBondContact O-N 3.48Å; V74-L78 HydrophobicContact CG1-CB 4.32Å; V74-L78 HydrophobicContact CG1-CD2 3.52Å; V74-L89 HydrophobicContact CB-CD1 4.43Å; V74-L89 HydrophobicContact CG1-CD1 3.59Å; V74-L89 HydrophobicContact CG2-CD1 4.08Å; V74-L89 HydrophobicContact CG2-CD2 4.41Å; V74-Y298 CarbonylContact O-C 3.48Å; V74-Y298 VanDerWaalsContact O-CA 3.32Å; V74-Y298 WeakPolarHBondContact O-CA 3.32Å; V74-C299 WeakPolarHBondContact CB-O 3.46Å; V74-C299 PolarHBondContact N-O 2.92Å; V74-C299 PolarHBondContact O-N 3.27Å; V74-C299 PolarHBondContact O-SG 3.11Å; V74-L301 HydrophobicContact CB-CG 4.32Å; V74-L301 HydrophobicContact CG1-CD1 4.04Å; V74-L301 HydrophobicContact CG1-CG 4.15Å; V74-L301 HydrophobicContact CG2-CD1 4.12Å; V74-L301 HydrophobicContact CG2-CG 4.08Å |
| 75 | T | 84.6 | Confident | 88 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 44% | 0.436 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 125.7 | -178.3 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | S77 L78 | T75-S77 PolarHBondContact O-N 2.87Å; T75-S77 VanDerWaalsContact O-N 3.11Å; T75-L78 WeakPolarHBondContact O-CB 3.36Å; T75-L78 PolarHBondContact O-N 3.07Å |
| 76 | S | 82 | Confident | 87.8 | Confident | 43 Ų | 43 | 49.7 Ų | 49.7 | 30% | 0.301 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.5 | -176 | 68.4 | 0 | 0 | 0 | 0 | 113.7 | V74 L78 K154 D296 A297 | V74-S76 PolarHBondContact O-N 3.48Å; S76-L78 PolarHBondContact O-N 3.08Å; S76-K154 PolarHBondContact O-NZ 3.49Å; S76-D296 WeakPolarHBondContact CB-O 3.35Å; S76-D296 PolarHBondContact OG-O 2.89Å; S76-A297 PolarHBondContact N-O 2.96Å; S76-A297 VanDerWaalsContact OG-C 3.26Å; S76-A297 WeakPolarHBondContact OG-CA 3.48Å; S76-A297 PolarHBondContact OG-O 3.35Å |
| 77 | S | 83.1 | Confident | 87.6 | Confident | 102 Ų | 102 | 47.9 Ų | 47.9 | 71% | 0.713 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -14.7 | 171.4 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | T75 N79 | T75-S77 PolarHBondContact O-N 2.87Å; T75-S77 VanDerWaalsContact O-N 3.11Å; S77-N79 PolarHBondContact O-N 3.46Å |
| 78 | L | 84.6 | Confident | 87.5 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | trans | -53.8 | 125.6 | 177.9 | 176.4 | 69.6 | 0 | 0 | 0 | 110.6 | V74 T75 S76 P80 E85 L86 L89 K154 L301 | V74-L78 HydrophobicContact CG1-CB 4.32Å; V74-L78 HydrophobicContact CG1-CD2 3.52Å; T75-L78 WeakPolarHBondContact O-CB 3.36Å; T75-L78 PolarHBondContact O-N 3.07Å; S76-L78 PolarHBondContact O-N 3.08Å; L78-P80 VanDerWaalsContact O-CD 3.29Å; L78-P80 WeakPolarHBondContact O-CD 3.25Å; L78-E85 HydrophobicContact CD1-CB 3.7Å; L78-L86 HydrophobicContact CD2-CD2 3.95Å; L78-L89 HydrophobicContact CD2-CD1 4.03Å; L78-K154 PolarHBondContact O-NZ 3.33Å; L78-L301 HydrophobicContact CD2-CD1 3.83Å; L78-L301 HydrophobicContact CD2-CD2 4.33Å | ||
| 79 | N | 82.3 | Confident | 87.4 | Confident | 68 Ų | 68 | 54.8 Ų | 54.8 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | trans | -81.9 | 111.5 | -176.4 | -178.2 | 2.9 | 0 | 0 | 0 | 110.5 | S77 S81 S82 E85 | S77-N79 PolarHBondContact O-N 3.46Å; N79-S81 PolarHBondContact O-N 3.04Å; N79-S81 VanDerWaalsContact O-N 3.09Å; N79-S81 WeakPolarHBondContact OD1-CB 3.37Å; N79-S81 PolarHBondContact OD1-N 3.39Å; N79-S81 PolarHBondContact OD1-OG 2.95Å; N79-S82 WeakPolarHBondContact O-CB 3.42Å; N79-S82 PolarHBondContact O-N 2.84Å; N79-E85 WeakPolarHBondContact CB-OE2 3.27Å; N79-E85 PolarHBondContact N-OE2 2.93Å; N79-E85 VanDerWaalsContact N-OE2 3.1Å | ||
| 80 | P | 82.6 | Confident | 87.4 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.1 | 179.7 | 30.1 | -36.1 | 0 | 0 | 0 | 112.6 | L78 L86 A139 S141 K154 H196 | L78-P80 VanDerWaalsContact O-CD 3.29Å; L78-P80 WeakPolarHBondContact O-CD 3.25Å; P80-L86 WeakPolarHBondContact O-CD1 3.47Å; P80-A139 HydrophobicContact CB-CB 3.52Å; P80-A139 HydrophobicContact CG-CB 3.61Å; P80-S141 WeakPolarHBondContact O-CB 3.31Å; P80-S141 PolarHBondContact O-OG 3.39Å; P80-K154 HydrophobicContact CB-CD 4.34Å; P80-K154 HydrophobicContact CG-CD 4.45Å; P80-H196 PolarHBondContact O-CE1 3.27Å |
| 81 | S | 85.1 | Confident | 87.4 | Confident | 45 Ų | 45 | 56.1 Ų | 56.1 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -15.9 | 174.2 | -54.5 | 0 | 0 | 0 | 0 | 113.4 | N79 R83 H196 I198 | N79-S81 PolarHBondContact O-N 3.04Å; N79-S81 VanDerWaalsContact O-N 3.09Å; N79-S81 WeakPolarHBondContact OD1-CB 3.37Å; N79-S81 PolarHBondContact OD1-N 3.39Å; N79-S81 PolarHBondContact OD1-OG 2.95Å; S81-R83 PolarHBondContact O-N 2.93Å; S81-H196 PolarHBondContact O-CE1 2.94Å; S81-H196 PolarHBondContact O-ND1 3.43Å; S81-I198 VanDerWaalsContact CB-CD1 3.5Å |
| 82 | S | 86.6 | Confident | 87.4 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | trans | -93.8 | 97.9 | -170.9 | -168.8 | 0 | 0 | 0 | 0 | 111.7 | N79 D84 E85 L86 | N79-S82 WeakPolarHBondContact O-CB 3.42Å; N79-S82 PolarHBondContact O-N 2.84Å; S82-D84 VanDerWaalsContact C-N 3.26Å; S82-D84 PolarHBondContact O-N 3.19Å; S82-E85 WeakPolarHBondContact CB-OE1 3.34Å; S82-E85 PolarHBondContact O-N 2.98Å; S82-E85 WeakPolarHBondContact OG-CG 3.31Å; S82-E85 PolarHBondContact OG-OE1 2.91Å; S82-L86 WeakPolarHBondContact O-CD1 3.32Å; S82-L86 WeakPolarHBondContact O-CG 3.3Å; S82-L86 PolarHBondContact O-N 3.45Å; S82-L86 VanDerWaalsContact O-N 3.17Å | ||
| 83 | R | 87.8 | Confident | 87.4 | Confident | 49 Ų | 49 | 55.9 Ų | 55.9 | 19% | 0.185 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -53.6 | -42.1 | 179.6 | 174.7 | 176.3 | 178.8 | -78.5 | -4.8 | 112.6 | S81 L86 L87 L143 Q144 | S81-R83 PolarHBondContact O-N 2.93Å; R83-L86 PolarHBondContact O-N 2.77Å; R83-L87 HydrophobicContact CG-CD1 3.75Å; R83-L87 HydrophobicContact CG-CG 4.42Å; R83-L87 WeakPolarHBondContact O-CB 3.47Å; R83-L87 VanDerWaalsContact O-CG 3.3Å; R83-L87 WeakPolarHBondContact O-CG 3.24Å; R83-L87 PolarHBondContact O-N 3.06Å; R83-L143 HydrophobicContact CB-CD2 4.07Å; R83-L143 HydrophobicContact CG-CD2 3.88Å; R83-Q144 PolarHBondContact NH2-O 3.32Å |
| 84 | D | 90.1 | Very high | 87.7 | Confident | 110 Ų | 110 | 48.9 Ų | 48.9 | 59% | 0.588 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -80.5 | -32.7 | -170.2 | -60.4 | -19.7 | 0 | 0 | 0 | 112 | S82 Q88 | S82-D84 VanDerWaalsContact C-N 3.26Å; S82-D84 PolarHBondContact O-N 3.19Å; D84-Q88 VanDerWaalsContact O-CB 3.31Å; D84-Q88 WeakPolarHBondContact O-CB 3.48Å; D84-Q88 PolarHBondContact O-N 3.33Å |
| 85 | E | 89.1 | Confident | 87.9 | Confident | 81 Ų | 81 | 55.6 Ų | 55.6 | 38% | 0.379 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 168.1 | -72.9 | 163.4 | -124.9 | 0 | 0 | 111.2 | L78 N79 S82 Q88 L89 | L78-E85 HydrophobicContact CD1-CB 3.7Å; N79-E85 WeakPolarHBondContact CB-OE2 3.27Å; N79-E85 PolarHBondContact N-OE2 2.93Å; N79-E85 VanDerWaalsContact N-OE2 3.1Å; S82-E85 WeakPolarHBondContact CB-OE1 3.34Å; S82-E85 PolarHBondContact O-N 2.98Å; S82-E85 WeakPolarHBondContact OG-CG 3.31Å; S82-E85 PolarHBondContact OG-OE1 2.91Å; E85-Q88 PolarHBondContact O-N 2.9Å; E85-L89 WeakPolarHBondContact O-CB 3.49Å; E85-L89 PolarHBondContact O-N 3.16Å |
| 86 | L | 90.4 | Very high | 88.1 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 179.7 | -75.3 | 162.8 | 0 | 0 | 0 | 111.9 | L78 P80 S82 R83 L89 L90 L143 V152 L301 | L78-L86 HydrophobicContact CD2-CD2 3.95Å; P80-L86 WeakPolarHBondContact O-CD1 3.47Å; S82-L86 WeakPolarHBondContact O-CD1 3.32Å; S82-L86 WeakPolarHBondContact O-CG 3.3Å; S82-L86 PolarHBondContact O-N 3.45Å; S82-L86 VanDerWaalsContact O-N 3.17Å; R83-L86 PolarHBondContact O-N 2.77Å; L86-L89 PolarHBondContact O-N 2.72Å; L86-L90 WeakPolarHBondContact O-CB 3.5Å; L86-L90 VanDerWaalsContact O-CG 3.24Å; L86-L90 WeakPolarHBondContact O-CG 3.41Å; L86-L90 PolarHBondContact O-N 2.79Å; L86-L143 HydrophobicContact CB-CD1 3.79Å; L86-L143 HydrophobicContact CB-CD2 4.22Å; L86-L143 HydrophobicContact CD1-CD1 4.14Å; L86-L143 HydrophobicContact CD1-CD2 4.05Å; L86-L143 HydrophobicContact CD1-CG 4.45Å; L86-L143 HydrophobicContact CG-CD1 4.46Å; L86-V152 HydrophobicContact CD2-CG1 4.31Å; L86-L301 HydrophobicContact CD2-CD1 4.33Å |
| 87 | L | 91.7 | Very high | 88.2 | Confident | 17 Ų | 17 | 64.3 Ų | 64.3 | 9% | 0.089 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 177 | -71.7 | 171.1 | 0 | 0 | 0 | 112.2 | R83 L89 L90 D91 D145 | R83-L87 HydrophobicContact CG-CD1 3.75Å; R83-L87 HydrophobicContact CG-CG 4.42Å; R83-L87 WeakPolarHBondContact O-CB 3.47Å; R83-L87 VanDerWaalsContact O-CG 3.3Å; R83-L87 WeakPolarHBondContact O-CG 3.24Å; R83-L87 PolarHBondContact O-N 3.06Å; L87-L89 VanDerWaalsContact C-N 3.26Å; L87-L89 PolarHBondContact O-N 3.22Å; L87-L90 HydrophobicContact CD2-CD1 4.42Å; L87-L90 PolarHBondContact O-N 3.07Å; L87-D91 WeakPolarHBondContact O-CB 3.47Å; L87-D91 PolarHBondContact O-N 2.91Å; L87-D145 HydrophobicContact CD2-CB 3.98Å |
| 88 | Q | 91.6 | Very high | 88.2 | Confident | 148 Ų | 148 | 65.3 Ų | 65.3 | 69% | 0.692 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59.4 | -38.5 | 175.7 | -174 | -176 | -50.1 | 0 | 0 | 111.8 | D84 E85 T92 | D84-Q88 VanDerWaalsContact O-CB 3.31Å; D84-Q88 WeakPolarHBondContact O-CB 3.48Å; D84-Q88 PolarHBondContact O-N 3.33Å; E85-Q88 PolarHBondContact O-N 2.9Å; Q88-T92 WeakPolarHBondContact O-CB 3.48Å; Q88-T92 PolarHBondContact O-N 2.69Å; Q88-T92 VanDerWaalsContact O-N 3.11Å; Q88-T92 PolarHBondContact O-OG1 3.44Å |
| 89 | L | 91.1 | Very high | 88.3 | Confident | 41 Ų | 41 | 65 Ų | 65 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.3 | -46 | 175.6 | -172.3 | 152.5 | 0 | 0 | 0 | 111.8 | L71 V74 L78 E85 L86 L87 D91 T92 A93 L301 | L71-L89 HydrophobicContact CD1-CD2 3.45Å; L71-L89 VanDerWaalsContact CD1-CD2 3.45Å; V74-L89 HydrophobicContact CB-CD1 4.43Å; V74-L89 HydrophobicContact CG1-CD1 3.59Å; V74-L89 HydrophobicContact CG2-CD1 4.08Å; V74-L89 HydrophobicContact CG2-CD2 4.41Å; L78-L89 HydrophobicContact CD2-CD1 4.03Å; E85-L89 WeakPolarHBondContact O-CB 3.49Å; E85-L89 PolarHBondContact O-N 3.16Å; L86-L89 PolarHBondContact O-N 2.72Å; L87-L89 VanDerWaalsContact C-N 3.26Å; L87-L89 PolarHBondContact O-N 3.22Å; L89-D91 VanDerWaalsContact C-N 3.33Å; L89-D91 PolarHBondContact O-N 3.22Å; L89-T92 WeakPolarHBondContact O-CB 3.48Å; L89-T92 PolarHBondContact O-N 3.19Å; L89-T92 VanDerWaalsContact O-N 3.13Å; L89-A93 PolarHBondContact O-N 2.72Å; L89-L301 HydrophobicContact CD1-CD1 4.42Å; L89-L301 HydrophobicContact CD2-CD1 3.93Å |
| 90 | L | 90.9 | Very high | 88.4 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 176.8 | -72.1 | 169.5 | 0 | 0 | 0 | 112 | L86 L87 T92 A93 R94 L99 L143 L150 I303 | L86-L90 WeakPolarHBondContact O-CB 3.5Å; L86-L90 VanDerWaalsContact O-CG 3.24Å; L86-L90 WeakPolarHBondContact O-CG 3.41Å; L86-L90 PolarHBondContact O-N 2.79Å; L87-L90 HydrophobicContact CD2-CD1 4.42Å; L87-L90 PolarHBondContact O-N 3.07Å; L90-T92 VanDerWaalsContact C-N 3.31Å; L90-T92 PolarHBondContact O-N 3.16Å; L90-A93 PolarHBondContact O-N 3.34Å; L90-R94 WeakPolarHBondContact O-CB 3.46Å; L90-R94 WeakPolarHBondContact O-CD 3.38Å; L90-R94 WeakPolarHBondContact O-CG 3.25Å; L90-R94 PolarHBondContact O-N 3.19Å; L90-L99 HydrophobicContact CD2-CD1 3.45Å; L90-L99 VanDerWaalsContact CD2-CD1 3.45Å; L90-L143 HydrophobicContact CD1-CD1 4.01Å; L90-L150 HydrophobicContact CD1-CD1 3.94Å; L90-I303 HydrophobicContact CD2-CD1 3.81Å; L90-I303 HydrophobicContact CD2-CG1 3.91Å; L90-I303 HydrophobicContact CD2-CG2 3.89Å |
| 91 | D | 91.4 | Very high | 88.2 | Confident | 68 Ų | 68 | 69 Ų | 69 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70 | -27.7 | 176.9 | -74.6 | -18.6 | 0 | 0 | 0 | 112.8 | L87 L89 R94 Q95 | L87-D91 WeakPolarHBondContact O-CB 3.47Å; L87-D91 PolarHBondContact O-N 2.91Å; L89-D91 VanDerWaalsContact C-N 3.33Å; L89-D91 PolarHBondContact O-N 3.22Å; D91-R94 WeakPolarHBondContact OD1-CD 3.12Å; D91-R94 IonicContact OD1-CZ 2.77Å; D91-R94 IonicContact OD1-NE 3.95Å; D91-R94 IonicContact OD1-NH1 3.07Å; D91-R94 PolarHBondContact OD1-NH1 2.84Å; D91-Q95 VanDerWaalsContact O-CG 3.23Å; D91-Q95 WeakPolarHBondContact O-CG 3.49Å; D91-Q95 PolarHBondContact O-N 3.4Å; D91-Q95 VanDerWaalsContact O-N 3.08Å; D91-Q95 PolarHBondContact O-NE2 2.9Å |
| 92 | T | 90.9 | Very high | 87.8 | Confident | 65 Ų | 65 | 75 Ų | 75 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.9 | -49.2 | 170.4 | -55.5 | 0 | 0 | 0 | 0 | 110.4 | Q88 L89 L90 R94 Q95 L96 | Q88-T92 WeakPolarHBondContact O-CB 3.48Å; Q88-T92 PolarHBondContact O-N 2.69Å; Q88-T92 VanDerWaalsContact O-N 3.11Å; Q88-T92 PolarHBondContact O-OG1 3.44Å; L89-T92 WeakPolarHBondContact O-CB 3.48Å; L89-T92 PolarHBondContact O-N 3.19Å; L89-T92 VanDerWaalsContact O-N 3.13Å; L90-T92 VanDerWaalsContact C-N 3.31Å; L90-T92 PolarHBondContact O-N 3.16Å; T92-R94 VanDerWaalsContact C-N 3.28Å; T92-R94 PolarHBondContact O-N 2.68Å; T92-Q95 WeakPolarHBondContact O-CB 3.44Å; T92-Q95 PolarHBondContact O-N 3.49Å; T92-L96 HydrophobicContact CG2-CD1 4.31Å; T92-L96 WeakPolarHBondContact O-CG 3.4Å; T92-L96 PolarHBondContact O-N 3.27Å |
| 93 | A | 90.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 3% | 0.033 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.9 | -33.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L71 L89 L90 L96 K97 E98 L99 | L71-A93 HydrophobicContact CD1-CB 3.82Å; L71-A93 HydrophobicContact CD2-CB 3.85Å; L89-A93 PolarHBondContact O-N 2.72Å; L90-A93 PolarHBondContact O-N 3.34Å; A93-L96 PolarHBondContact O-N 3.49Å; A93-K97 PolarHBondContact O-N 2.86Å; A93-E98 HydrophobicContact CB-CB 4.36Å; A93-E98 PolarHBondContact O-N 2.71Å; A93-L99 HydrophobicContact CB-CD1 3.95Å; A93-L99 HydrophobicContact CB-CG 3.97Å; A93-L99 PolarHBondContact O-N 2.99Å |
| 94 | R | 89.5 | Confident | 87.4 | Confident | 33 Ų | 33 | 76.4 Ų | 76.4 | 13% | 0.125 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 170.8 | -75.8 | 163 | 173.6 | 172.2 | -3.1 | 112.9 | L90 D91 T92 K97 L99 L101 D145 | L90-R94 WeakPolarHBondContact O-CB 3.46Å; L90-R94 WeakPolarHBondContact O-CD 3.38Å; L90-R94 WeakPolarHBondContact O-CG 3.25Å; L90-R94 PolarHBondContact O-N 3.19Å; D91-R94 WeakPolarHBondContact OD1-CD 3.12Å; D91-R94 IonicContact OD1-CZ 2.77Å; D91-R94 IonicContact OD1-NE 3.95Å; D91-R94 IonicContact OD1-NH1 3.07Å; D91-R94 PolarHBondContact OD1-NH1 2.84Å; T92-R94 VanDerWaalsContact C-N 3.28Å; T92-R94 PolarHBondContact O-N 2.68Å; R94-K97 PolarHBondContact O-N 3.28Å; R94-K97 VanDerWaalsContact O-N 3.16Å; R94-L99 HydrophobicContact CG-CB 4.11Å; R94-L101 HydrophobicContact CB-CD2 3.86Å; R94-L101 HydrophobicContact CG-CD2 4.12Å; R94-D145 IonicContact CZ-OD2 2.75Å; R94-D145 IonicContact NH1-OD2 3.18Å; R94-D145 PolarHBondContact NH1-OD2 2.94Å; R94-D145 IonicContact NH2-OD2 3.59Å; R94-D145 PolarHBondContact NH2-OD2 2.91Å |
| 95 | Q | 91.1 | Very high | 87 | Confident | 152 Ų | 152 | 74.1 Ų | 74.1 | 71% | 0.71 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.6 | -37.9 | 175.3 | -74.7 | 164.9 | 61.5 | 0 | 0 | 111.8 | D91 T92 K97 | D91-Q95 VanDerWaalsContact O-CG 3.23Å; D91-Q95 WeakPolarHBondContact O-CG 3.49Å; D91-Q95 PolarHBondContact O-N 3.4Å; D91-Q95 VanDerWaalsContact O-N 3.08Å; D91-Q95 PolarHBondContact O-NE2 2.9Å; T92-Q95 WeakPolarHBondContact O-CB 3.44Å; T92-Q95 PolarHBondContact O-N 3.49Å; Q95-K97 PolarHBondContact O-N 2.93Å |
| 96 | L | 88.1 | Confident | 86.8 | Confident | 114 Ų | 114 | 77.7 Ų | 77.7 | 60% | 0.597 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -72 | -10.7 | 172.4 | -63.8 | 175 | 0 | 0 | 0 | 113.5 | T92 A93 E98 | T92-L96 HydrophobicContact CG2-CD1 4.31Å; T92-L96 WeakPolarHBondContact O-CG 3.4Å; T92-L96 PolarHBondContact O-N 3.27Å; A93-L96 PolarHBondContact O-N 3.49Å; L96-E98 HydrophobicContact CB-CG 4.04Å; L96-E98 PolarHBondContact O-N 2.85Å |
| 97 | K | 83.4 | Confident | 86.7 | Confident | 184 Ų | 184 | 78.9 Ų | 78.9 | 80% | 0.8 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 18.3 | -176 | -49.1 | 173.7 | -174.3 | 169 | 0 | 114.8 | A93 R94 Q95 L99 | A93-K97 PolarHBondContact O-N 2.86Å; R94-K97 PolarHBondContact O-N 3.28Å; R94-K97 VanDerWaalsContact O-N 3.16Å; Q95-K97 PolarHBondContact O-N 2.93Å; K97-L99 VanDerWaalsContact C-N 3.29Å |
| 98 | E | 84.5 | Confident | 86.8 | Confident | 122 Ų | 122 | 79.4 Ų | 79.4 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -70.9 | -28.7 | 171.4 | -62 | 176.6 | 152.8 | 0 | 0 | 111.3 | L71 A93 L96 | L71-E98 HydrophobicContact CD2-CB 4.21Å; A93-E98 HydrophobicContact CB-CB 4.36Å; A93-E98 PolarHBondContact O-N 2.71Å; L96-E98 HydrophobicContact CB-CG 4.04Å; L96-E98 PolarHBondContact O-N 2.85Å |
| 99 | L | 86.3 | Confident | 87 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -113.3 | 143.2 | 173.7 | -67.4 | -177.8 | 0 | 0 | 0 | 113 | L68 L71 L90 A93 R94 K97 I303 | L68-L99 HydrophobicContact CB-CD2 4.39Å; L71-L99 HydrophobicContact CD1-CD1 4.13Å; L71-L99 HydrophobicContact CD2-CD2 4.18Å; L71-L99 HydrophobicContact CD2-CG 4.11Å; L90-L99 HydrophobicContact CD2-CD1 3.45Å; L90-L99 VanDerWaalsContact CD2-CD1 3.45Å; A93-L99 HydrophobicContact CB-CD1 3.95Å; A93-L99 HydrophobicContact CB-CG 3.97Å; A93-L99 PolarHBondContact O-N 2.99Å; R94-L99 HydrophobicContact CG-CB 4.11Å; K97-L99 VanDerWaalsContact C-N 3.29Å; L99-I303 HydrophobicContact CD1-CG1 4.25Å; L99-I303 HydrophobicContact CD2-CB 4.43Å; L99-I303 HydrophobicContact CD2-CG1 4.3Å |
| 100 | P | 83.8 | Confident | 87.2 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 23% | 0.234 | 36% | 0.359 | C | S | . | . | trans | -70.9 | 129.8 | 177.7 | 29.8 | -35.7 | 0 | 0 | 0 | 111.8 | L68 K102 Q107 | L68-P100 HydrophobicContact CB-CG 4.08Å; L68-P100 HydrophobicContact CD2-CG 4.23Å; L68-P100 WeakPolarHBondContact O-CD 3.42Å; P100-K102 PolarHBondContact O-N 2.87Å; P100-Q107 VanDerWaalsContact CB-NE2 3.33Å | ||
| 101 | L | 78.3 | Confident | 87.4 | Confident | 137 Ų | 137 | 70.3 Ų | 70.3 | 72% | 0.717 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -69.7 | -13.2 | 175.2 | -68.7 | 170.3 | 0 | 0 | 0 | 114.1 | R94 | R94-L101 HydrophobicContact CB-CD2 3.86Å; R94-L101 HydrophobicContact CG-CD2 4.12Å |
| 102 | K | 77.1 | Confident | 87.6 | Confident | 172 Ų | 172 | 67.2 Ų | 67.2 | 75% | 0.748 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -145.1 | 137 | -179 | -65.4 | -176.4 | -178.6 | 177 | 0 | 109.9 | P100 T104 | P100-K102 PolarHBondContact O-N 2.87Å; K102-T104 PolarHBondContact O-N 2.96Å |
| 103 | T | 81.8 | Confident | 87.7 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | trans | -75.1 | 119.2 | 176.1 | 56.5 | 0 | 0 | 0 | 0 | 111.1 | K66 L68 Q107 L148 A305 | K66-T103 HydrophobicContact CD-CG2 4.18Å; L68-T103 HydrophobicContact CD2-CG2 3.96Å; T103-Q107 VanDerWaalsContact CA-OE1 3.26Å; T103-L148 HydrophobicContact CG2-CD1 4.27Å; T103-L148 HydrophobicContact CG2-CD2 3.75Å; T103-A305 HydrophobicContact CG2-CB 4.27Å | ||
| 104 | T | 84.6 | Confident | 87.7 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | trans | -93.7 | -177.7 | 174.6 | 73.8 | 0 | 0 | 0 | 0 | 111.4 | K66 K102 E106 Q107 | K66-T104 PolarHBondContact NZ-O 3.49Å; K102-T104 PolarHBondContact O-N 2.96Å; T104-E106 PolarHBondContact OG1-N 2.98Å; T104-E106 PolarHBondContact OG1-OE2 2.96Å; T104-Q107 PolarHBondContact OG1-N 2.85Å | ||
| 105 | A | 81.8 | Confident | 87.7 | Confident | 62 Ų | 62 | 63.5 Ų | 63.5 | 51% | 0.512 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -89.6 | -19.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q107 D108 | A105-Q107 PolarHBondContact O-N 2.94Å; A105-D108 VanDerWaalsContact O-CB 3.29Å; A105-D108 WeakPolarHBondContact O-CB 3.31Å; A105-D108 PolarHBondContact O-N 3.38Å |
| 106 | E | 84.4 | Confident | 87.5 | Confident | 156 Ų | 156 | 64.3 Ų | 64.3 | 73% | 0.729 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -24.2 | 173.5 | -58.8 | 141.5 | 161.2 | 0 | 0 | 111.2 | T104 D108 W122 | T104-E106 PolarHBondContact OG1-N 2.98Å; T104-E106 PolarHBondContact OG1-OE2 2.96Å; E106-D108 PolarHBondContact O-N 2.73Å; E106-W122 WeakPolarHBondContact O-CZ3 3.47Å |
| 107 | Q | 88.3 | Confident | 87.6 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -3.9 | 175.9 | -72.2 | 162 | -0.6 | 0 | 0 | 113.6 | K66 F67 P100 T103 T104 A105 S109 | K66-Q107 CarbonylContact C-O 3.57Å; K66-Q107 WeakPolarHBondContact CA-O 2.98Å; K66-Q107 HydrophobicContact CB-CB 4.32Å; F67-Q107 PolarHBondContact N-O 3.23Å; P100-Q107 VanDerWaalsContact CB-NE2 3.33Å; T103-Q107 VanDerWaalsContact CA-OE1 3.26Å; T104-Q107 PolarHBondContact OG1-N 2.85Å; A105-Q107 PolarHBondContact O-N 2.94Å; Q107-S109 PolarHBondContact O-N 2.98Å |
| 108 | D | 93.9 | Very high | 88.1 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 15% | 0.15 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 125.7 | 179.2 | -69.2 | -10.4 | 0 | 0 | 0 | 110.7 | R36 K66 A105 E106 R123 | R36-D108 IonicContact CZ-OD2 2.7Å; R36-D108 IonicContact NH1-OD2 3.45Å; R36-D108 PolarHBondContact NH1-OD2 3.05Å; R36-D108 IonicContact NH2-OD2 3.56Å; R36-D108 PolarHBondContact NH2-OD2 3.43Å; R36-D108 VanDerWaalsContact NH2-OD2 3.13Å; K66-D108 IonicContact NZ-OD1 3.31Å; K66-D108 PolarHBondContact NZ-OD1 3.33Å; A105-D108 VanDerWaalsContact O-CB 3.29Å; A105-D108 WeakPolarHBondContact O-CB 3.31Å; A105-D108 PolarHBondContact O-N 3.38Å; E106-D108 PolarHBondContact O-N 2.73Å; D108-R123 HydrophobicContact CB-CB 3.67Å; D108-R123 HydrophobicContact CB-CG 4.21Å; D108-R123 WeakPolarHBondContact O-CB 3.44Å; D108-R123 PolarHBondContact O-N 3.03Å |
| 109 | S | 94.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 159 | 179.8 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | V65 F67 Q107 T121 | V65-S109 PolarHBondContact N-O 2.82Å; V65-S109 PolarHBondContact O-N 3.13Å; F67-S109 PolarHBondContact N-OG 2.87Å; Q107-S109 PolarHBondContact O-N 2.98Å; S109-T121 CarbonylContact C-O 3.55Å; S109-T121 VanDerWaalsContact CA-O 3.23Å; S109-T121 WeakPolarHBondContact CA-O 3.46Å; S109-T121 VanDerWaalsContact CB-O 3.23Å; S109-T121 WeakPolarHBondContact CB-O 3.47Å |
| 110 | I | 95.5 | Very high | 89 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.7 | 174.3 | -50.8 | 174.5 | 0 | 0 | 0 | 107.4 | L39 E62 K63 L120 T121 R123 | L39-I110 HydrophobicContact CD2-CD1 3.82Å; L39-I110 HydrophobicContact CD2-CG1 3.86Å; L39-I110 HydrophobicContact CD2-CG2 4.02Å; E62-I110 HydrophobicContact CB-CG2 3.63Å; E62-I110 HydrophobicContact CG-CG2 3.71Å; K63-I110 WeakPolarHBondContact O-CA 3.23Å; I110-L120 WeakPolarHBondContact O-CA 3.5Å; I110-T121 PolarHBondContact N-O 2.91Å; I110-T121 PolarHBondContact O-N 2.88Å; I110-T121 PolarHBondContact O-OG1 3.47Å; I110-R123 VanDerWaalsContact CG1-CD 3.4Å |
| 111 | L | 95.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 109.7 | 166 | 179.8 | 63.1 | 0 | 0 | 0 | 108.3 | E62 K63 V65 L113 L118 L120 L151 L304 | E62-L111 WeakPolarHBondContact CA-O 3.23Å; K63-L111 PolarHBondContact N-O 2.77Å; K63-L111 PolarHBondContact O-N 2.93Å; V65-L111 HydrophobicContact CG1-CB 4.09Å; V65-L111 HydrophobicContact CG1-CD2 4.42Å; V65-L111 HydrophobicContact CG2-CB 3.86Å; L111-L113 HydrophobicContact CD1-CD2 4.2Å; L111-L113 HydrophobicContact CD2-CD2 3.78Å; L111-L113 HydrophobicContact CG-CD2 3.7Å; L111-L113 HydrophobicContact CG-CG 4.31Å; L111-L118 HydrophobicContact CD1-CB 4.15Å; L111-L120 HydrophobicContact CB-CD1 4.23Å; L111-L120 HydrophobicContact CD1-CD1 4.24Å; L111-L151 HydrophobicContact CD2-CD2 4.3Å; L111-L304 HydrophobicContact CD1-CD1 4.44Å; L111-L304 HydrophobicContact CD2-CD1 3.97Å |
| 112 | S | 95.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 104.6 | 177.2 | 160.9 | 0 | 0 | 0 | 0 | 109.2 | Y60 L61 L118 L119 | Y60-S112 WeakPolarHBondContact CD2-OG 3.34Å; L61-S112 CarbonylContact O-C 3.55Å; L61-S112 WeakPolarHBondContact O-CA 3.17Å; S112-L118 WeakPolarHBondContact O-CA 3.36Å; S112-L119 PolarHBondContact N-O 3.45Å; S112-L119 PolarHBondContact O-N 2.95Å |
| 113 | L | 93.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 135.9 | -179 | -54 | 173.3 | 0 | 0 | 0 | 111 | Y60 L61 L111 L118 L318 I319 | Y60-L113 CarbonylContact C-O 3.2Å; Y60-L113 VanDerWaalsContact CA-O 3.25Å; Y60-L113 WeakPolarHBondContact CA-O 3.34Å; Y60-L113 WeakPolarHBondContact CB-O 3.4Å; L61-L113 PolarHBondContact N-O 3.5Å; L61-L113 PolarHBondContact O-N 3.02Å; L111-L113 HydrophobicContact CD1-CD2 4.2Å; L111-L113 HydrophobicContact CD2-CD2 3.78Å; L111-L113 HydrophobicContact CG-CD2 3.7Å; L111-L113 HydrophobicContact CG-CG 4.31Å; L113-L118 HydrophobicContact CB-CD2 4.39Å; L113-L118 HydrophobicContact CD2-CD1 4.01Å; L113-L118 HydrophobicContact CD2-CD2 3.73Å; L113-L118 HydrophobicContact CD2-CG 4.31Å; L113-L318 HydrophobicContact CD1-CB 3.75Å; L113-L318 HydrophobicContact CD1-CD1 3.68Å; L113-L318 HydrophobicContact CD1-CG 4.37Å; L113-I319 HydrophobicContact CD2-CD1 4.38Å; L113-I319 HydrophobicContact CD2-CG1 4.1Å |
| 114 | S | 90.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | trans | -153.8 | 163.4 | 169.6 | 74.4 | 0 | 0 | 0 | 0 | 109.8 | R116 C117 T134 | S114-R116 PolarHBondContact O-N 3.31Å; S114-R116 PolarHBondContact OG-N 2.75Å; S114-C117 PolarHBondContact N-O 2.7Å; S114-C117 PolarHBondContact OG-N 2.8Å; S114-C117 PolarHBondContact OG-O 3.01Å; S114-T134 VanDerWaalsContact O-CG2 3.31Å; S114-T134 WeakPolarHBondContact O-CG2 3.34Å | ||
| 115 | A | 88.6 | Confident | 91.3 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -65.3 | -17 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L56 L57 T134 I325 I326 | L56-A115 WeakPolarHBondContact O-CB 3.42Å; L56-A115 PolarHBondContact O-N 3.46Å; L57-A115 HydrophobicContact CD2-CB 4.01Å; A115-T134 PolarHBondContact O-OG1 3.47Å; A115-I325 HydrophobicContact CB-CG2 4.42Å; A115-I326 WeakPolarHBondContact O-CD1 3.09Å |
| 116 | R | 86.8 | Confident | 91.6 | Very high | 169 Ų | 169 | 35.9 Ų | 35.9 | 64% | 0.638 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -92.2 | -41.6 | -179.1 | -60.5 | -176.1 | -175.9 | 81.4 | 8.4 | 113.3 | L57 S114 T134 | L57-R116 PolarHBondContact O-NH1 2.82Å; L57-R116 PolarHBondContact O-NH2 3.34Å; L57-R116 VanDerWaalsContact O-NH2 3.15Å; S114-R116 PolarHBondContact O-N 3.31Å; S114-R116 PolarHBondContact OG-N 2.75Å; R116-T134 PolarHBondContact O-N 2.95Å; R116-T134 PolarHBondContact O-OG1 2.88Å |
| 117 | C | 91 | Very high | 91.9 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 8% | 0.081 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 153.3 | -178.4 | 53.1 | 0 | 0 | 0 | 0 | 111.1 | S114 R131 I132 | S114-C117 PolarHBondContact N-O 2.7Å; S114-C117 PolarHBondContact OG-N 2.8Å; S114-C117 PolarHBondContact OG-O 3.01Å; C117-R131 HydrophobicContact CB-CG 4.39Å; C117-I132 CarbonylContact C-O 3.48Å; C117-I132 WeakPolarHBondContact CA-O 3.44Å; C117-I132 VanDerWaalsContact CB-O 3.28Å; C117-I132 WeakPolarHBondContact CB-O 3.32Å |
| 118 | L | 93.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 130.7 | 165 | -40.7 | -171.5 | 0 | 0 | 0 | 108.1 | L111 S112 L113 I132 T134 I137 L153 I319 | L111-L118 HydrophobicContact CD1-CB 4.15Å; S112-L118 WeakPolarHBondContact O-CA 3.36Å; L113-L118 HydrophobicContact CB-CD2 4.39Å; L113-L118 HydrophobicContact CD2-CD1 4.01Å; L113-L118 HydrophobicContact CD2-CD2 3.73Å; L113-L118 HydrophobicContact CD2-CG 4.31Å; L118-I132 HydrophobicContact CB-CB 4.4Å; L118-I132 PolarHBondContact N-O 3.2Å; L118-I132 PolarHBondContact O-N 2.97Å; L118-T134 HydrophobicContact CD2-CG2 4.06Å; L118-I137 HydrophobicContact CD1-CD1 3.45Å; L118-I137 VanDerWaalsContact CD1-CD1 3.45Å; L118-I137 HydrophobicContact CG-CD1 3.77Å; L118-L153 HydrophobicContact CD1-CD1 4.03Å; L118-I319 HydrophobicContact CD1-CD1 4.13Å; L118-I319 HydrophobicContact CD1-CG1 4.28Å |
| 119 | L | 95 | Very high | 92 | Very high | 13 Ų | 13 | 32.4 Ų | 32.4 | 7% | 0.068 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.4 | 178 | -58.1 | 174.6 | 0 | 0 | 0 | 109 | S112 L128 R131 | S112-L119 PolarHBondContact N-O 3.45Å; S112-L119 PolarHBondContact O-N 2.95Å; L119-L128 HydrophobicContact CB-CD1 4.11Å; L119-L128 HydrophobicContact CD2-CD1 4.06Å; L119-R131 HydrophobicContact CD2-CB 3.77Å; L119-R131 HydrophobicContact CD2-CG 3.61Å |
| 120 | L | 95 | Very high | 91.9 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.9 | 174.8 | -166.8 | 73.1 | 0 | 0 | 0 | 109 | V65 F67 I110 L111 I129 L130 L304 | V65-L120 HydrophobicContact CG2-CD1 3.82Å; F67-L120 HydrophobicContact CB-CD2 4.02Å; F67-L120 HydrophobicContact CD2-CD2 3.44Å; F67-L120 VanDerWaalsContact CD2-CD2 3.44Å; F67-L120 HydrophobicContact CE2-CD2 4.04Å; F67-L120 HydrophobicContact CG-CD2 3.81Å; I110-L120 WeakPolarHBondContact O-CA 3.5Å; L111-L120 HydrophobicContact CB-CD1 4.23Å; L111-L120 HydrophobicContact CD1-CD1 4.24Å; L120-I129 HydrophobicContact CD2-CD1 4.18Å; L120-I129 HydrophobicContact CG-CD1 4.13Å; L120-I129 WeakPolarHBondContact O-CB 3.44Å; L120-I129 PolarHBondContact O-N 2.65Å; L120-L130 HydrophobicContact CB-CB 4.17Å; L120-L130 HydrophobicContact CD2-CD1 4.07Å; L120-L130 PolarHBondContact N-O 3.12Å; L120-L130 PolarHBondContact O-N 3.47Å; L120-L304 HydrophobicContact CD1-CD1 4.48Å; L120-L304 HydrophobicContact CD1-CD2 3.84Å; L120-L304 HydrophobicContact CD2-CD2 3.84Å |
| 121 | T | 94.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.8 | -177.3 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | S109 I110 E127 L128 | S109-T121 CarbonylContact C-O 3.55Å; S109-T121 VanDerWaalsContact CA-O 3.23Å; S109-T121 WeakPolarHBondContact CA-O 3.46Å; S109-T121 VanDerWaalsContact CB-O 3.23Å; S109-T121 WeakPolarHBondContact CB-O 3.47Å; I110-T121 PolarHBondContact N-O 2.91Å; I110-T121 PolarHBondContact O-N 2.88Å; I110-T121 PolarHBondContact O-OG1 3.47Å; T121-E127 CarbonylContact C-O 3.48Å; T121-E127 WeakPolarHBondContact CA-O 3.46Å; T121-E127 WeakPolarHBondContact CB-O 3.43Å; T121-L128 HydrophobicContact CG2-CB 4.34Å; T121-L128 HydrophobicContact CG2-CD1 3.99Å |
| 122 | W | 93.8 | Very high | 91.6 | Very high | 75 Ų | 75 | 37.3 Ų | 37.3 | 28% | 0.284 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 142.8 | 175.8 | -74.6 | 128.4 | 0 | 0 | 0 | 112.2 | F67 E106 D124 N125 E126 E127 I129 | F67-W122 HydrophobicContact CB-CH2 4.41Å; F67-W122 HydrophobicContact CB-CZ3 4.25Å; F67-W122 AromaticContact CD1-CH2 3.83Å; F67-W122 HydrophobicContact CD1-CH2 3.83Å; F67-W122 HydrophobicContact CD1-CZ2 4.34Å; F67-W122 HydrophobicContact CD1-CZ3 4.47Å; E106-W122 WeakPolarHBondContact O-CZ3 3.47Å; W122-D124 PolarHBondContact O-N 3.32Å; W122-N125 WeakPolarHBondContact CB-OD1 3.49Å; W122-E126 WeakPolarHBondContact O-CA 3.44Å; W122-E126 PolarHBondContact O-N 3.19Å; W122-E127 PolarHBondContact N-O 3.06Å; W122-I129 HydrophobicContact CD2-CD1 3.37Å; W122-I129 HydrophobicContact CD2-CG1 3.88Å; W122-I129 HydrophobicContact CE3-CD1 3.56Å; W122-I129 HydrophobicContact CG-CD1 3.88Å; W122-I129 HydrophobicContact CG-CG1 3.93Å; W122-I129 HydrophobicContact CH2-CD1 4.01Å; W122-I129 HydrophobicContact CZ2-CD1 3.85Å; W122-I129 HydrophobicContact CZ2-CG1 4.35Å; W122-I129 HydrophobicContact CZ3-CD1 3.85Å |
| 123 | R | 90.9 | Very high | 91.3 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 5% | 0.053 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -22.2 | -172.5 | -169.6 | 59.5 | 175.3 | 117.7 | -6.2 | 114.9 | R37 E64 D108 I110 | R37-R123 PolarHBondContact O-NH1 2.8Å; R37-R123 PolarHBondContact O-NH2 2.85Å; E64-R123 IonicContact OE1-CZ 2.8Å; E64-R123 IonicContact OE1-NE 2.78Å; E64-R123 PolarHBondContact OE1-NE 2.8Å; E64-R123 IonicContact OE1-NH2 2.65Å; E64-R123 PolarHBondContact OE1-NH2 3.11Å; D108-R123 HydrophobicContact CB-CB 3.67Å; D108-R123 HydrophobicContact CB-CG 4.21Å; D108-R123 WeakPolarHBondContact O-CB 3.44Å; D108-R123 PolarHBondContact O-N 3.03Å; I110-R123 VanDerWaalsContact CG1-CD 3.4Å |
| 124 | D | 88.4 | Confident | 91.1 | Very high | 83 Ų | 83 | 38.7 Ų | 38.7 | 44% | 0.444 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -30.9 | -173.4 | -73.2 | -49.5 | 0 | 0 | 0 | 115.1 | R36 W122 | R36-D124 IonicContact CZ-OD1 3.13Å; R36-D124 VanDerWaalsContact CZ-OD1 3.3Å; R36-D124 IonicContact CZ-OD2 3.39Å; R36-D124 IonicContact NE-OD1 3.3Å; R36-D124 PolarHBondContact NE-OD1 3.15Å; R36-D124 IonicContact NE-OD2 3.74Å; R36-D124 VanDerWaalsContact NH2-CG 3.25Å; R36-D124 IonicContact NH2-OD1 2.59Å; R36-D124 PolarHBondContact NH2-OD1 3.47Å; R36-D124 VanDerWaalsContact NH2-OD1 3.07Å; R36-D124 IonicContact NH2-OD2 2.71Å; R36-D124 PolarHBondContact NH2-OD2 3.34Å; W122-D124 PolarHBondContact O-N 3.32Å |
| 125 | N | 86.7 | Confident | 90.8 | Very high | 94 Ų | 94 | 43.4 Ų | 43.4 | 50% | 0.503 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -7 | 176.1 | 73.9 | -11.7 | 0 | 0 | 0 | 114.1 | W122 E127 | W122-N125 WeakPolarHBondContact CB-OD1 3.49Å; N125-E127 WeakPolarHBondContact ND2-CB 3.43Å; N125-E127 PolarHBondContact ND2-OE2 3.39Å; N125-E127 PolarHBondContact O-N 2.94Å; N125-E127 VanDerWaalsContact OD1-CB 3.29Å; N125-E127 WeakPolarHBondContact OD1-CB 3.42Å; N125-E127 PolarHBondContact OD1-N 3.37Å; N125-E127 VanDerWaalsContact OD1-N 3.16Å |
| 126 | E | 87.1 | Confident | 90.8 | Very high | 46 Ų | 46 | 45.3 Ų | 45.3 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | trans | 60.5 | 19.7 | -179.6 | -50.5 | -163.5 | 82.7 | 0 | 0 | 115 | R37 W122 W350 | R37-E126 IonicContact CZ-OE1 3.15Å; R37-E126 IonicContact NE-OE1 2.66Å; R37-E126 PolarHBondContact NE-OE1 3.13Å; R37-E126 IonicContact NE-OE2 2.74Å; R37-E126 IonicContact NH2-OE1 2.71Å; R37-E126 PolarHBondContact NH2-OE1 2.59Å; W122-E126 WeakPolarHBondContact O-CA 3.44Å; W122-E126 PolarHBondContact O-N 3.19Å; E126-W350 VanDerWaalsContact OE1-CH2 3.3Å; E126-W350 WeakPolarHBondContact OE1-CH2 3.41Å; E126-W350 WeakPolarHBondContact OE1-CZ3 3.46Å; E126-W350 WeakPolarHBondContact OE2-CZ3 3.33Å | ||
| 127 | E | 91.1 | Very high | 90.9 | Very high | 78 Ų | 78 | 37.7 Ų | 37.7 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | trans | -70.2 | 144.5 | 174.1 | -177 | 175.4 | -155.3 | 0 | 0 | 111.5 | T121 W122 N125 | T121-E127 CarbonylContact C-O 3.48Å; T121-E127 WeakPolarHBondContact CA-O 3.46Å; T121-E127 WeakPolarHBondContact CB-O 3.43Å; W122-E127 PolarHBondContact N-O 3.06Å; N125-E127 WeakPolarHBondContact ND2-CB 3.43Å; N125-E127 PolarHBondContact ND2-OE2 3.39Å; N125-E127 PolarHBondContact O-N 2.94Å; N125-E127 VanDerWaalsContact OD1-CB 3.29Å; N125-E127 WeakPolarHBondContact OD1-CB 3.42Å; N125-E127 PolarHBondContact OD1-N 3.37Å; N125-E127 VanDerWaalsContact OD1-N 3.16Å | ||
| 128 | L | 91.8 | Very high | 90.8 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 25% | 0.251 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119.9 | -177.6 | -177.7 | 66.8 | 0 | 0 | 0 | 111 | L119 T121 L130 R131 V162 | L119-L128 HydrophobicContact CB-CD1 4.11Å; L119-L128 HydrophobicContact CD2-CD1 4.06Å; T121-L128 HydrophobicContact CG2-CB 4.34Å; T121-L128 HydrophobicContact CG2-CD1 3.99Å; L128-L130 WeakPolarHBondContact CD1-O 3.37Å; L128-R131 HydrophobicContact CD2-CB 4.33Å; L128-V162 HydrophobicContact CD2-CG2 4.09Å; L128-V162 HydrophobicContact CG-CG2 4.19Å |
| 129 | I | 92.3 | Very high | 90.6 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 8% | 0.077 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -53.5 | 176.9 | -41.7 | 176.1 | 0 | 0 | 0 | 109.7 | F67 L120 W122 V162 | F67-I129 HydrophobicContact CB-CD1 4.34Å; F67-I129 HydrophobicContact CD1-CD1 4.25Å; F67-I129 HydrophobicContact CD1-CG2 4.05Å; F67-I129 HydrophobicContact CE1-CG2 3.79Å; F67-I129 HydrophobicContact CG-CD1 4.43Å; F67-I129 HydrophobicContact CZ-CG2 4.29Å; L120-I129 HydrophobicContact CD2-CD1 4.18Å; L120-I129 HydrophobicContact CG-CD1 4.13Å; L120-I129 WeakPolarHBondContact O-CB 3.44Å; L120-I129 PolarHBondContact O-N 2.65Å; W122-I129 HydrophobicContact CD2-CD1 3.37Å; W122-I129 HydrophobicContact CD2-CG1 3.88Å; W122-I129 HydrophobicContact CE3-CD1 3.56Å; W122-I129 HydrophobicContact CG-CD1 3.88Å; W122-I129 HydrophobicContact CG-CG1 3.93Å; W122-I129 HydrophobicContact CH2-CD1 4.01Å; W122-I129 HydrophobicContact CZ2-CD1 3.85Å; W122-I129 HydrophobicContact CZ2-CG1 4.35Å; W122-I129 HydrophobicContact CZ3-CD1 3.85Å; I129-V162 PolarHBondContact O-N 3.34Å |
| 130 | L | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 138.1 | -173.8 | -71.5 | 162.6 | 0 | 0 | 0 | 109.7 | F67 H70 L120 L128 I132 V159 P161 V302 | F67-L130 HydrophobicContact CE2-CD1 3.65Å; F67-L130 HydrophobicContact CZ-CD1 3.89Å; H70-L130 HydrophobicContact CB-CD1 4.49Å; L120-L130 HydrophobicContact CB-CB 4.17Å; L120-L130 HydrophobicContact CD2-CD1 4.07Å; L120-L130 PolarHBondContact N-O 3.12Å; L120-L130 PolarHBondContact O-N 3.47Å; L128-L130 WeakPolarHBondContact CD1-O 3.37Å; L130-I132 HydrophobicContact CB-CG1 4.48Å; L130-V159 HydrophobicContact CD2-CG1 3.84Å; L130-P161 HydrophobicContact CD2-CB 4.05Å; L130-V302 HydrophobicContact CD1-CG1 3.99Å; L130-V302 HydrophobicContact CD1-CG2 4.13Å |
| 131 | R | 92.8 | Very high | 90.3 | Very high | 102 Ų | 102 | 39 Ų | 39 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 114.6 | 166.5 | 169.7 | 174.3 | -178.4 | -151.6 | 1.2 | 107.6 | C117 L119 L128 | C117-R131 HydrophobicContact CB-CG 4.39Å; L119-R131 HydrophobicContact CD2-CB 3.77Å; L119-R131 HydrophobicContact CD2-CG 3.61Å; L128-R131 HydrophobicContact CD2-CB 4.33Å |
| 132 | I | 91.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 108.2 | -176.3 | -52.2 | 172 | 0 | 0 | 0 | 107.3 | C117 L118 L130 T134 I137 L153 T155 V159 V302 | C117-I132 CarbonylContact C-O 3.48Å; C117-I132 WeakPolarHBondContact CA-O 3.44Å; C117-I132 VanDerWaalsContact CB-O 3.28Å; C117-I132 WeakPolarHBondContact CB-O 3.32Å; L118-I132 HydrophobicContact CB-CB 4.4Å; L118-I132 PolarHBondContact N-O 3.2Å; L118-I132 PolarHBondContact O-N 2.97Å; L130-I132 HydrophobicContact CB-CG1 4.48Å; I132-T134 PolarHBondContact O-N 3.43Å; I132-I137 HydrophobicContact CG2-CD1 3.73Å; I132-I137 HydrophobicContact CG2-CG1 3.5Å; I132-I137 VanDerWaalsContact CG2-CG1 3.5Å; I132-L153 HydrophobicContact CD1-CD1 3.99Å; I132-T155 HydrophobicContact CG2-CG2 3.77Å; I132-V159 HydrophobicContact CG1-CG1 3.93Å; I132-V159 HydrophobicContact CG1-CG2 4.49Å; I132-V159 HydrophobicContact CG2-CG2 4.04Å; I132-V302 HydrophobicContact CD1-CB 4.44Å; I132-V302 HydrophobicContact CD1-CG1 4.42Å; I132-V302 HydrophobicContact CD1-CG2 3.91Å |
| 133 | P | 90.3 | Very high | 90.1 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 18% | 0.175 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 136.8 | 171.7 | -19.2 | 32.3 | 0 | 0 | 0 | 109.6 | H135 E136 | P133-H135 VanDerWaalsContact CB-CE1 3.49Å; P133-H135 WeakPolarHBondContact CB-CE1 3.39Å; P133-H135 PolarHBondContact O-N 2.85Å; P133-E136 HydrophobicContact CB-CB 4.46Å; P133-E136 HydrophobicContact CB-CG 4.08Å; P133-E136 HydrophobicContact CG-CG 4.08Å; P133-E136 PolarHBondContact O-N 3.5Å |
| 134 | T | 88.6 | Confident | 90.1 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -61.9 | -29.1 | -176.2 | 40.2 | 0 | 0 | 0 | 0 | 112.9 | S114 A115 R116 L118 I132 E136 I137 V322 I326 | S114-T134 VanDerWaalsContact O-CG2 3.31Å; S114-T134 WeakPolarHBondContact O-CG2 3.34Å; A115-T134 PolarHBondContact O-OG1 3.47Å; R116-T134 PolarHBondContact O-N 2.95Å; R116-T134 PolarHBondContact O-OG1 2.88Å; L118-T134 HydrophobicContact CD2-CG2 4.06Å; I132-T134 PolarHBondContact O-N 3.43Å; T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 PolarHBondContact O-N 3.45Å; T134-I137 PolarHBondContact O-N 2.86Å; T134-V322 HydrophobicContact CG2-CG1 3.6Å; T134-I326 HydrophobicContact CG2-CD1 4.09Å; T134-I326 WeakPolarHBondContact OG1-CD1 3.34Å |
| 135 | H | 85.3 | Confident | 90.1 | Very high | 111 Ų | 111 | 35.1 Ų | 35.1 | 51% | 0.514 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -75.9 | -10.4 | 175.8 | 61.8 | -105.2 | 0 | 0 | 0 | 114.8 | P133 Y327 | P133-H135 VanDerWaalsContact CB-CE1 3.49Å; P133-H135 WeakPolarHBondContact CB-CE1 3.39Å; P133-H135 PolarHBondContact O-N 2.85Å; H135-Y327 WeakPolarHBondContact CA-OH 3.4Å |
| 136 | E | 87.9 | Confident | 90.2 | Very high | 50 Ų | 50 | 36.7 Ų | 36.7 | 23% | 0.234 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -91 | -5.8 | 173.8 | -69.6 | -172.8 | -172.5 | 0 | 0 | 112.8 | P133 T134 T155 G156 V159 | P133-E136 HydrophobicContact CB-CB 4.46Å; P133-E136 HydrophobicContact CB-CG 4.08Å; P133-E136 HydrophobicContact CG-CG 4.08Å; P133-E136 PolarHBondContact O-N 3.5Å; T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 PolarHBondContact O-N 3.45Å; E136-T155 CarbonylContact O-C 3.46Å; E136-T155 VanDerWaalsContact O-CA 3.23Å; E136-T155 WeakPolarHBondContact O-CA 3.46Å; E136-G156 PolarHBondContact O-N 3.46Å; E136-V159 VanDerWaalsContact OE2-CG2 3.24Å; E136-V159 WeakPolarHBondContact OE2-CG2 3.36Å; E136-V159 PolarHBondContact OE2-N 2.84Å |
| 137 | I | 89.7 | Confident | 90.1 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 5% | 0.046 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 111.6 | -177.9 | -45.3 | -179.5 | 0 | 0 | 0 | 109.5 | L118 I132 T134 K154 T155 F323 | L118-I137 HydrophobicContact CD1-CD1 3.45Å; L118-I137 VanDerWaalsContact CD1-CD1 3.45Å; L118-I137 HydrophobicContact CG-CD1 3.77Å; I132-I137 HydrophobicContact CG2-CD1 3.73Å; I132-I137 HydrophobicContact CG2-CG1 3.5Å; I132-I137 VanDerWaalsContact CG2-CG1 3.5Å; T134-I137 PolarHBondContact O-N 2.86Å; I137-K154 CarbonylContact C-O 3.54Å; I137-T155 HydrophobicContact CG1-CG2 4.32Å; I137-F323 HydrophobicContact CB-CE1 4Å; I137-F323 HydrophobicContact CB-CZ 3.85Å; I137-F323 HydrophobicContact CG2-CE1 4.4Å; I137-F323 HydrophobicContact CG2-CZ 3.75Å |
| 138 | A | 88.3 | Confident | 90 | Very high | 53 Ų | 53 | 37.3 Ų | 37.3 | 44% | 0.438 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -28.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K154 | A138-K154 HydrophobicContact CB-CD 4.44Å; A138-K154 HydrophobicContact CB-CG 4.33Å; A138-K154 PolarHBondContact N-O 2.95Å |
| 139 | A | 88.8 | Confident | 90.1 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 158 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P80 K154 | P80-A139 HydrophobicContact CB-CB 3.52Å; P80-A139 HydrophobicContact CG-CB 3.61Å; A139-K154 HydrophobicContact CB-CB 4.38Å; A139-K154 PolarHBondContact N-O 3.46Å; A139-K154 PolarHBondContact O-N 3.01Å |
| 140 | A | 91.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L153 C199 I319 | A140-L153 HydrophobicContact CB-CD2 3.65Å; A140-C199 PolarHBondContact O-N 3.44Å; A140-I319 HydrophobicContact CB-CB 4.47Å; A140-I319 HydrophobicContact CB-CD1 4.26Å; A140-I319 HydrophobicContact CB-CG2 3.87Å |
| 141 | S | 91.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.1 | -172.5 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | P80 V152 | P80-S141 WeakPolarHBondContact O-CB 3.31Å; P80-S141 PolarHBondContact O-OG 3.39Å; S141-V152 PolarHBondContact N-O 3.06Å; S141-V152 PolarHBondContact O-N 3.03Å |
| 142 | Y | 93.3 | Very high | 90.3 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 113.1 | 174.4 | 160.3 | -119.6 | 0 | 0 | 0 | 111 | H149 L150 H196 T197 R309 A312 E313 | Y142-H149 HydrophobicContact CE2-CB 3.86Å; Y142-H149 AromaticContact CE2-ND1 3.69Å; Y142-H149 AromaticContact CZ-ND1 3.67Å; Y142-H149 PolarHBondContact OH-ND1 3.47Å; Y142-L150 WeakPolarHBondContact CA-O 3.33Å; Y142-H196 PolarHBondContact O-CD2 3.17Å; Y142-H196 PolarHBondContact O-NE2 3.28Å; Y142-T197 WeakPolarHBondContact CD1-OG1 3.39Å; Y142-T197 PolarHBondContact N-O 3.19Å; Y142-R309 HydrophobicContact CE1-CG 4.18Å; Y142-A312 HydrophobicContact CD2-CB 3.49Å; Y142-A312 VanDerWaalsContact CD2-CB 3.49Å; Y142-A312 HydrophobicContact CE2-CB 3.84Å; Y142-A312 HydrophobicContact CG-CB 4.05Å; Y142-E313 HydrophobicContact CD1-CG 4.47Å |
| 143 | L | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.5 | 177.3 | -63.5 | 163.5 | 0 | 0 | 0 | 110.6 | R83 L86 L90 L150 V152 H196 | R83-L143 HydrophobicContact CB-CD2 4.07Å; R83-L143 HydrophobicContact CG-CD2 3.88Å; L86-L143 HydrophobicContact CB-CD1 3.79Å; L86-L143 HydrophobicContact CB-CD2 4.22Å; L86-L143 HydrophobicContact CD1-CD1 4.14Å; L86-L143 HydrophobicContact CD1-CD2 4.05Å; L86-L143 HydrophobicContact CD1-CG 4.45Å; L86-L143 HydrophobicContact CG-CD1 4.46Å; L90-L143 HydrophobicContact CD1-CD1 4.01Å; L143-L150 HydrophobicContact CB-CB 4.24Å; L143-L150 PolarHBondContact N-O 2.63Å; L143-L150 PolarHBondContact O-N 2.78Å; L143-V152 HydrophobicContact CD1-CG2 3.69Å; L143-H196 VanDerWaalsContact CD2-NE2 3.34Å; L143-H196 WeakPolarHBondContact CD2-NE2 3.29Å |
| 144 | Q | 91 | Very high | 90.5 | Very high | 61 Ų | 61 | 30.9 Ų | 30.9 | 29% | 0.285 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 110.1 | 165.8 | -162.6 | -176.7 | 2.8 | 0 | 0 | 111.1 | R83 R194 | R83-Q144 PolarHBondContact NH2-O 3.32Å; Q144-R194 PolarHBondContact O-NH1 3.23Å |
| 145 | D | 88.9 | Confident | 90.6 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 13% | 0.128 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 101.3 | -177.5 | -177 | 31.2 | 0 | 0 | 0 | 109.8 | L87 R94 A147 L148 L150 | L87-D145 HydrophobicContact CD2-CB 3.98Å; R94-D145 IonicContact CZ-OD2 2.75Å; R94-D145 IonicContact NH1-OD2 3.18Å; R94-D145 PolarHBondContact NH1-OD2 2.94Å; R94-D145 IonicContact NH2-OD2 3.59Å; R94-D145 PolarHBondContact NH2-OD2 2.91Å; D145-A147 PolarHBondContact O-N 3.22Å; D145-L148 PolarHBondContact N-O 2.81Å; D145-L148 PolarHBondContact O-N 3.39Å; D145-L150 HydrophobicContact CB-CD1 3.84Å; D145-L150 HydrophobicContact CB-CG 4.31Å |
| 146 | D | 86.9 | Confident | 90.7 | Very high | 127 Ų | 127 | 26.7 Ų | 26.7 | 68% | 0.679 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43 | -95.1 | -166.3 | -78.5 | -14 | 0 | 0 | 0 | 114.5 | R194 | D146-R194 PolarHBondContact O-NH1 2.78Å; D146-R194 VanDerWaalsContact O-NH1 3.15Å |
| 147 | A | 85.6 | Confident | 90.1 | Very high | 89 Ų | 89 | 27.4 Ų | 27.4 | 74% | 0.736 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | D145 | D145-A147 PolarHBondContact O-N 3.22Š|
| 148 | L | 89.8 | Confident | 88.9 | Confident | 49 Ų | 49 | 29.5 Ų | 29.5 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 136.9 | 173.5 | -62 | 179.2 | 0 | 0 | 0 | 110.5 | T103 D145 L150 | T103-L148 HydrophobicContact CG2-CD1 4.27Å; T103-L148 HydrophobicContact CG2-CD2 3.75Å; D145-L148 PolarHBondContact N-O 2.81Å; D145-L148 PolarHBondContact O-N 3.39Å; L148-L150 HydrophobicContact CB-CD2 4.03Å; L148-L150 HydrophobicContact CB-CG 4.31Å; L148-L150 HydrophobicContact CD1-CD2 4.41Å |
| 149 | H | 93 | Very high | 87.9 | Confident | 30 Ų | 30 | 27 Ų | 27 | 14% | 0.139 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 103.4 | 168.9 | -62.8 | -71.8 | 0 | 0 | 0 | 107.6 | Y142 A305 V306 R309 | Y142-H149 HydrophobicContact CE2-CB 3.86Å; Y142-H149 AromaticContact CE2-ND1 3.69Å; Y142-H149 AromaticContact CZ-ND1 3.67Å; Y142-H149 PolarHBondContact OH-ND1 3.47Å; H149-A305 CarbonylContact O-C 3.54Å; H149-A305 WeakPolarHBondContact O-CA 3.28Å; H149-V306 PolarHBondContact O-N 3.09Å; H149-R309 PolarHBondContact CD2-N 2.97Å; H149-R309 PolarHBondContact NE2-N 2.98Å |
| 150 | L | 93.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 133.7 | -176.4 | -57.4 | 179.9 | 0 | 0 | 0 | 110.4 | L68 L90 Y142 L143 D145 L148 L304 A305 | L68-L150 HydrophobicContact CD1-CD2 3.73Å; L90-L150 HydrophobicContact CD1-CD1 3.94Å; Y142-L150 WeakPolarHBondContact CA-O 3.33Å; L143-L150 HydrophobicContact CB-CB 4.24Å; L143-L150 PolarHBondContact N-O 2.63Å; L143-L150 PolarHBondContact O-N 2.78Å; D145-L150 HydrophobicContact CB-CD1 3.84Å; D145-L150 HydrophobicContact CB-CG 4.31Å; L148-L150 HydrophobicContact CB-CD2 4.03Å; L148-L150 HydrophobicContact CB-CG 4.31Å; L148-L150 HydrophobicContact CD1-CD2 4.41Å; L150-L304 CarbonylContact C-O 3.51Å; L150-L304 VanDerWaalsContact CA-O 3.32Å; L150-L304 WeakPolarHBondContact CA-O 3.44Å; L150-A305 HydrophobicContact CD2-CB 3.88Å |
| 151 | L | 94.6 | Very high | 85 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 116.3 | 169 | 175.2 | 64 | 0 | 0 | 0 | 107.4 | L111 L153 L304 V306 | L111-L151 HydrophobicContact CD2-CD2 4.3Å; L151-L153 HydrophobicContact CD1-CD2 4.29Å; L151-L153 HydrophobicContact CG-CD2 4.21Å; L151-L304 HydrophobicContact CB-CB 4.3Å; L151-L304 HydrophobicContact CD2-CD1 4.35Å; L151-L304 PolarHBondContact N-O 3.39Å; L151-L304 WeakPolarHBondContact O-CB 3.41Å; L151-L304 PolarHBondContact O-N 2.92Å; L151-V306 HydrophobicContact CB-CG2 3.96Å |
| 152 | V | 94.3 | Very high | 83.3 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.7 | 179.7 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | L86 S141 L143 L301 I303 | L86-V152 HydrophobicContact CD2-CG1 4.31Å; S141-V152 PolarHBondContact N-O 3.06Å; S141-V152 PolarHBondContact O-N 3.03Å; L143-V152 HydrophobicContact CD1-CG2 3.69Å; V152-L301 HydrophobicContact CG1-CB 4.36Å; V152-L301 HydrophobicContact CG1-CD2 4.13Å; V152-I303 HydrophobicContact CB-CD1 4.49Å; V152-I303 HydrophobicContact CG1-CD1 3.87Å; V152-I303 HydrophobicContact CG2-CD1 3.99Å |
| 153 | L | 93.8 | Very high | 80.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121.6 | 173 | -49.7 | 178.8 | 0 | 0 | 0 | 108.3 | L118 I132 A140 L151 T155 L301 V302 L304 I319 | L118-L153 HydrophobicContact CD1-CD1 4.03Å; I132-L153 HydrophobicContact CD1-CD1 3.99Å; A140-L153 HydrophobicContact CB-CD2 3.65Å; L151-L153 HydrophobicContact CD1-CD2 4.29Å; L151-L153 HydrophobicContact CG-CD2 4.21Å; L153-T155 HydrophobicContact CB-CG2 4.34Å; L153-L301 WeakPolarHBondContact O-CA 3.31Å; L153-V302 HydrophobicContact CB-CB 4.28Å; L153-V302 PolarHBondContact N-O 2.82Å; L153-V302 PolarHBondContact O-N 3.43Å; L153-L304 HydrophobicContact CD1-CD1 4.47Å; L153-I319 HydrophobicContact CD2-CD1 3.8Å |
| 154 | K | 92.4 | Very high | 78.3 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 10% | 0.1 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 118.7 | 172.2 | -176.4 | -179.9 | -178.7 | -179.3 | 0 | 108.4 | S76 L78 P80 I137 A138 A139 C299 L301 | S76-K154 PolarHBondContact O-NZ 3.49Å; L78-K154 PolarHBondContact O-NZ 3.33Å; P80-K154 HydrophobicContact CB-CD 4.34Å; P80-K154 HydrophobicContact CG-CD 4.45Å; I137-K154 CarbonylContact C-O 3.54Å; A138-K154 HydrophobicContact CB-CD 4.44Å; A138-K154 HydrophobicContact CB-CG 4.33Å; A138-K154 PolarHBondContact N-O 2.95Å; A139-K154 HydrophobicContact CB-CB 4.38Å; A139-K154 PolarHBondContact N-O 3.46Å; A139-K154 PolarHBondContact O-N 3.01Å; K154-C299 VanDerWaalsContact CE-SG 3.56Å; K154-L301 HydrophobicContact CB-CD2 3.93Å; K154-L301 HydrophobicContact CG-CD2 3.99Å |
| 155 | T | 90.7 | Very high | 75.7 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 162.1 | -174.6 | 67 | 0 | 0 | 0 | 0 | 112.3 | I132 E136 I137 L153 V159 C299 N300 | I132-T155 HydrophobicContact CG2-CG2 3.77Å; E136-T155 CarbonylContact O-C 3.46Å; E136-T155 VanDerWaalsContact O-CA 3.23Å; E136-T155 WeakPolarHBondContact O-CA 3.46Å; I137-T155 HydrophobicContact CG1-CG2 4.32Å; L153-T155 HydrophobicContact CB-CG2 4.34Å; T155-V159 HydrophobicContact CG2-CG2 4.22Å; T155-C299 WeakPolarHBondContact O-CB 3.27Å; T155-N300 PolarHBondContact N-O 2.71Å; T155-N300 PolarHBondContact O-N 2.82Å; T155-N300 WeakPolarHBondContact OG1-CB 3.45Å |
| 156 | G | 86.3 | Confident | 73 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 29% | 0.289 | 35% | 0.353 | S | S | . | . | trans | -63.7 | 173.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E136 G158 | E136-G156 PolarHBondContact O-N 3.46Å; G156-G158 VanDerWaalsContact C-N 3.25Å; G156-G158 PolarHBondContact O-N 2.92Å | ||
| 157 | L | 76.6 | Confident | 70.3 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 34% | 0.335 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -7.4 | -179.6 | -60.2 | 177 | 0 | 0 | 0 | 113.9 | V159 P295 N300 | L157-V159 PolarHBondContact O-N 3.3Å; L157-P295 WeakPolarHBondContact CD1-O 3.29Å; L157-N300 WeakPolarHBondContact CD2-OD1 3.25Å |
| 158 | G | 63.5 | Low | 67.6 | Low | 53 Ų | 53 | 55.2 Ų | 55.2 | 55% | 0.546 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -10.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G156 D160 | G156-G158 VanDerWaalsContact C-N 3.25Å; G156-G158 PolarHBondContact O-N 2.92Å; G158-D160 PolarHBondContact O-N 2.89Å; G158-D160 VanDerWaalsContact O-N 3.09Å |
| 159 | V | 66.9 | Low | 64.7 | Low | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 40% | 0.396 | C | S | . | . | trans | -81.4 | 85.8 | 178 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | H70 L130 I132 E136 T155 L157 N300 | H70-V159 PolarHBondContact CE1-O 3.45Å; H70-V159 PolarHBondContact NE2-O 2.95Å; L130-V159 HydrophobicContact CD2-CG1 3.84Å; I132-V159 HydrophobicContact CG1-CG1 3.93Å; I132-V159 HydrophobicContact CG1-CG2 4.49Å; I132-V159 HydrophobicContact CG2-CG2 4.04Å; E136-V159 VanDerWaalsContact OE2-CG2 3.24Å; E136-V159 WeakPolarHBondContact OE2-CG2 3.36Å; E136-V159 PolarHBondContact OE2-N 2.84Å; T155-V159 HydrophobicContact CG2-CG2 4.22Å; L157-V159 PolarHBondContact O-N 3.3Å; V159-N300 PolarHBondContact O-ND2 3.15Å | ||
| 160 | D | 59.6 | Low | 62 | Low | 123 Ų | 123 | 63.3 Ų | 63.3 | 66% | 0.658 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 141.5 | 166.9 | -86.9 | -42 | 0 | 0 | 0 | 111.7 | G158 | G158-D160 PolarHBondContact O-N 2.89Å; G158-D160 VanDerWaalsContact O-N 3.09Å |
| 161 | P | 61.8 | Low | 58.7 | Low | 66 Ų | 66 | 67.5 Ų | 67.5 | 43% | 0.429 | 47% | 0.472 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 135.2 | 168 | 29.3 | -33 | 0 | 0 | 0 | 110.1 | L130 P163 | L130-P161 HydrophobicContact CD2-CB 4.05Å; P161-P163 WeakPolarHBondContact O-CD 2.97Å |
| 162 | V | 53.6 | Low | 55.4 | Low | 71 Ų | 71 | 71.3 Ų | 71.3 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 125.1 | 175 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | L128 I129 A164 | L128-V162 HydrophobicContact CD2-CG2 4.09Å; L128-V162 HydrophobicContact CG-CG2 4.19Å; I129-V162 PolarHBondContact O-N 3.34Å; V162-A164 PolarHBondContact O-N 3.02Å |
| 163 | P | 42.5 | Very low | 52.2 | Low | 109 Ų | 109 | 76.3 Ų | 76.3 | 71% | 0.708 | 55% | 0.553 | S | S | * | * | trans | -67.6 | 110.1 | 179.3 | 26.2 | -33 | 0 | 0 | 0 | 109.6 | P161 G165 | P161-P163 WeakPolarHBondContact O-CD 2.97Å; P163-G165 PolarHBondContact O-N 3.38Å | ||
| 164 | A | 39 | Very low | 48.9 | Very low | 59 Ų | 59 | 80 Ų | 80 | 49% | 0.488 | 59% | 0.591 | S | S | . | * | trans | -53.1 | 130.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | V162 V166 | V162-A164 PolarHBondContact O-N 3.02Å; A164-V166 PolarHBondContact O-N 3.02Å | ||
| 165 | G | 36.3 | Very low | 45.7 | Very low | 76 Ų | 76 | 91 Ų | 91 | 78% | 0.784 | 63% | 0.632 | S | S | * | * | trans | -57.2 | 118.4 | -159.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P163 | P163-G165 PolarHBondContact O-N 3.38Š| ||
| 166 | V | 32.7 | Very low | 42.5 | Very low | 130 Ų | 130 | 98.2 Ų | 98.2 | 79% | 0.788 | 67% | 0.67 | S | S | * | * | trans | -123.1 | 121 | 172.9 | -73.4 | 0 | 0 | 0 | 0 | 110.4 | A164 | A164-V166 PolarHBondContact O-N 3.02Š| ||
| 167 | D | 29.4 | Very low | 40.3 | Very low | 174 Ų | 174 | 102.6 Ų | 102.6 | 93% | 0.93 | 69% | 0.694 | S | S | * | * | trans | -68.3 | 136.6 | -179.6 | -70 | -65.3 | 0 | 0 | 0 | 112 | ||||
| 168 | A | 29.2 | Very low | 37.8 | Very low | 97 Ų | 97 | 103 Ų | 103 | 80% | 0.802 | 71% | 0.714 | S | S | * | * | trans | -87.8 | 113.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 169 | S | 28.2 | Very low | 36.5 | Very low | 120 Ų | 120 | 106.4 Ų | 106.4 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | trans | -161.9 | 158.6 | 153.9 | -89.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 170 | P | 37.3 | Very low | 35.3 | Very low | 129 Ų | 129 | 112.4 Ų | 112.4 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -112.1 | 160.8 | -150.8 | 40 | -33.8 | 0 | 0 | 0 | 116.2 | ||||
| 171 | G | 24.5 | Very low | 33.6 | Very low | 87 Ų | 87 | 110 Ų | 110 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | trans | 124.5 | 122.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 172 | G | 25.4 | Very low | 32 | Very low | 80 Ų | 80 | 112.1 Ų | 112.1 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 175.6 | 117.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 173 | A | 25.8 | Very low | 30.7 | Very low | 110 Ų | 110 | 113 Ų | 113 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -88.5 | 138.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 174 | G | 24.6 | Very low | 30.5 | Very low | 77 Ų | 77 | 113.9 Ų | 113.9 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -73.2 | -171.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 175 | R | 26.2 | Very low | 29.9 | Very low | 254 Ų | 254 | 118.9 Ų | 118.9 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | trans | -159.9 | 147.3 | 165.5 | -122.4 | 170.7 | 178.9 | 169.9 | -0.7 | 112.2 | ||||
| 176 | D | 23.1 | Very low | 29.4 | Very low | 154 Ų | 154 | 124.5 Ų | 124.5 | 82% | 0.824 | 83% | 0.829 | S | S | * | * | trans | -152.1 | 170.7 | 172.7 | -131 | -13.4 | 0 | 0 | 0 | 105.3 | ||||
| 177 | P | 40.6 | Very low | 29.2 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 84% | 0.836 | S | S | * | * | cis | -131.5 | -178.1 | -7.8 | 41.5 | -25.2 | 0 | 0 | 0 | 114.4 | ||||
| 178 | G | 23.6 | Very low | 28.9 | Very low | 74 Ų | 74 | 132.9 Ų | 132.9 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | trans | 162.3 | 112.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 179 | P | 35.7 | Very low | 28.8 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 84% | 0.84 | S | S | * | * | trans | -117.6 | -166.6 | 174.4 | 43.3 | -33.5 | 0 | 0 | 0 | 112.7 | ||||
| 180 | P | 42.3 | Very low | 28.6 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | cis | -126.4 | -176.8 | -32.8 | 29.5 | -9.3 | 0 | 0 | 0 | 113.1 | ||||
| 181 | G | 24.2 | Very low | 28.2 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | trans | 177 | 109 | 163.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 182 | A | 27.9 | Very low | 28.4 | Very low | 110 Ų | 110 | 134 Ų | 134 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | 55.3 | 133.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 183 | A | 27.2 | Very low | 28.7 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | trans | -113 | 161 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 184 | P | 36.8 | Very low | 29.1 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | -135.8 | -168.8 | 91.5 | 41.6 | -28.8 | 0 | 0 | 0 | 111.1 | |||||
| 185 | E | 26.2 | Very low | 29.8 | Very low | 165 Ų | 165 | 145 Ų | 145 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | cis | -151.2 | -165.1 | 12.2 | -155.7 | -149.9 | 58.5 | 0 | 0 | 110.7 | ||||
| 186 | K | 26.5 | Very low | 30.1 | Very low | 194 Ų | 194 | 134.8 Ų | 134.8 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -127.5 | 123 | 167.2 | -74.9 | -174.7 | 176.7 | -177.7 | 0 | 110.5 | ||||
| 187 | R | 27.9 | Very low | 30.9 | Very low | 245 Ų | 245 | 130.6 Ų | 130.6 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | trans | -108.4 | 142.5 | 166.4 | -153.6 | 171.7 | -170.4 | -175 | 2.8 | 111.6 | ||||
| 188 | R | 24.3 | Very low | 30.8 | Very low | 235 Ų | 235 | 127.9 Ų | 127.9 | 89% | 0.887 | 73% | 0.726 | S | S | * | * | trans | -99.8 | 173.8 | -176.4 | -68 | -179.8 | 172.8 | -176.4 | -2.5 | 112.6 | ||||
| 189 | V | 25.5 | Very low | 31.5 | Very low | 153 Ų | 153 | 126.1 Ų | 126.1 | 93% | 0.927 | 70% | 0.701 | S | S | * | * | trans | 93.8 | 126.6 | 159.6 | -173.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 190 | G | 25.5 | Very low | 31.6 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | trans | 158.4 | 46 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | A192 | G190-A192 PolarHBondContact O-N 3.41Š| ||
| 191 | T | 29 | Very low | 31.1 | Very low | 153 Ų | 153 | 121.5 Ų | 121.5 | 94% | 0.939 | 67% | 0.666 | S | S | * | * | trans | -72.1 | 110.8 | 177.9 | 47.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 192 | A | 27.7 | Very low | 31.5 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 67% | 0.669 | 67% | 0.669 | S | S | * | * | trans | -135.1 | 116.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G190 R194 | G190-A192 PolarHBondContact O-N 3.41Å; A192-R194 PolarHBondContact O-N 2.99Å | ||
| 193 | E | 32 | Very low | 32 | Very low | 187 Ų | 187 | 130.7 Ų | 130.7 | 87% | 0.874 | 67% | 0.666 | S | S | * | * | trans | -69.4 | 109.6 | -173.2 | -167.6 | -174 | 137.5 | 0 | 0 | 111.4 | ||||
| 194 | R | 34.9 | Very low | 32.1 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 36% | 0.355 | 67% | 0.67 | S | S | . | * | trans | -112.2 | 130.9 | 170.5 | -81.6 | -169.5 | 175.6 | -159.2 | 0.6 | 110.1 | Q144 D146 A192 | Q144-R194 PolarHBondContact O-NH1 3.23Å; D146-R194 PolarHBondContact O-NH1 2.78Å; D146-R194 VanDerWaalsContact O-NH1 3.15Å; A192-R194 PolarHBondContact O-N 2.99Å | ||
| 195 | R | 38.5 | Very low | 31.8 | Very low | 218 Ų | 218 | 139.8 Ų | 139.8 | 82% | 0.823 | 68% | 0.675 | S | S | * | * | trans | -70.8 | 143.9 | -175.9 | -63 | -178.4 | 176.6 | -150.9 | -5.4 | 111.4 | ||||
| 196 | H | 32.4 | Very low | 31.9 | Very low | 39 Ų | 39 | 135.2 Ų | 135.2 | 18% | 0.181 | 67% | 0.672 | C | S | . | * | trans | -123.6 | 136.6 | 177.5 | -168.8 | -133.9 | 0 | 0 | 0 | 108.1 | P80 S81 Y142 L143 I198 | P80-H196 PolarHBondContact O-CE1 3.27Å; S81-H196 PolarHBondContact O-CE1 2.94Å; S81-H196 PolarHBondContact O-ND1 3.43Å; Y142-H196 PolarHBondContact O-CD2 3.17Å; Y142-H196 PolarHBondContact O-NE2 3.28Å; L143-H196 VanDerWaalsContact CD2-NE2 3.34Å; L143-H196 WeakPolarHBondContact CD2-NE2 3.29Å; H196-I198 WeakPolarHBondContact ND1-CG1 3.45Å | ||
| 197 | T | 39.4 | Very low | 32.1 | Very low | 65 Ų | 65 | 138.3 Ų | 138.3 | 40% | 0.399 | 68% | 0.678 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.8 | 175.8 | 51.9 | 0 | 0 | 0 | 0 | 109.3 | Y142 | Y142-T197 WeakPolarHBondContact CD1-OG1 3.39Å; Y142-T197 PolarHBondContact N-O 3.19Å |
| 198 | I | 39.6 | Very low | 31.9 | Very low | 63 Ų | 63 | 130.6 Ų | 130.6 | 32% | 0.323 | 68% | 0.676 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.4 | -164.3 | -55.5 | 144.1 | 0 | 0 | 0 | 107.7 | S81 H196 S200 | S81-I198 VanDerWaalsContact CB-CD1 3.5Å; H196-I198 WeakPolarHBondContact ND1-CG1 3.45Å; I198-S200 VanDerWaalsContact CG2-OG 3.26Å; I198-S200 WeakPolarHBondContact CG2-OG 3.11Å |
| 199 | C | 38.4 | Very low | 32 | Very low | 37 Ų | 37 | 123 Ų | 123 | 25% | 0.25 | 67% | 0.67 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 89 | 163.9 | -88.9 | 0 | 0 | 0 | 0 | 110 | A140 C320 | A140-C199 PolarHBondContact O-N 3.44Å; C199-C320 HydrophobicContact CB-CB 3.82Å; C199-C320 WeakPolarHBondContact CB-SG 3.33Å; C199-C320 WeakPolarHBondContact SG-CB 3.26Å; C199-C320 CovalentContact SG-SG 2.01Å; C199-C320 PolarHBondContact SG-SG 2.83Å |
| 200 | S | 36.5 | Very low | 32.1 | Very low | 44 Ų | 44 | 119.2 Ų | 119.2 | 31% | 0.308 | 66% | 0.662 | S | S | . | * | trans | -118.5 | 127.9 | 169.8 | -66.4 | 0 | 0 | 0 | 0 | 108.9 | I198 | I198-S200 VanDerWaalsContact CG2-OG 3.26Å; I198-S200 WeakPolarHBondContact CG2-OG 3.11Å | ||
| 201 | L | 33.5 | Very low | 32.1 | Very low | 109 Ų | 109 | 123 Ų | 123 | 57% | 0.571 | 67% | 0.672 | S | S | * | * | trans | -89.5 | 113.6 | 154.9 | -79.1 | 139.7 | 0 | 0 | 0 | 106.3 | W203 F323 | L201-W203 PolarHBondContact O-N 3.43Å; L201-F323 HydrophobicContact CD1-CB 4.19Å | ||
| 202 | D | 31.7 | Very low | 32.1 | Very low | 151 Ų | 151 | 120.3 Ų | 120.3 | 81% | 0.807 | 67% | 0.665 | S | S | * | * | trans | -71.3 | 86.8 | -178.7 | -86.7 | -44.9 | 0 | 0 | 0 | 111.2 | R204 | D202-R204 PolarHBondContact O-N 2.96Š| ||
| 203 | W | 37.6 | Very low | 32.1 | Very low | 226 Ų | 226 | 123.7 Ų | 123.7 | 86% | 0.856 | 67% | 0.667 | S | S | * | * | trans | -72.3 | 16.7 | -178.9 | 60.4 | -81.6 | 0 | 0 | 0 | 114.8 | L201 M205 | L201-W203 PolarHBondContact O-N 3.43Å; W203-M205 PolarHBondContact O-N 3.08Å | ||
| 204 | R | 30.1 | Very low | 31.9 | Very low | 221 Ų | 221 | 120.1 Ų | 120.1 | 83% | 0.834 | 67% | 0.669 | S | S | * | * | trans | -98.8 | 55.4 | 179.1 | -165.1 | -173.5 | -84 | -88.7 | -2.8 | 113 | D202 | D202-R204 PolarHBondContact O-N 2.96Š| ||
| 205 | M | 29.5 | Very low | 31.6 | Very low | 187 Ų | 187 | 125.4 Ų | 125.4 | 92% | 0.921 | 69% | 0.689 | S | S | * | * | trans | -147.3 | 115.2 | 153.4 | -77 | -56.7 | 160.1 | 0 | 0 | 108.8 | W203 | W203-M205 PolarHBondContact O-N 3.08Š| ||
| 206 | G | 29.9 | Very low | 31.1 | Very low | 69 Ų | 69 | 119.8 Ų | 119.8 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | trans | -175.1 | -19.3 | -176 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 207 | W | 29.7 | Very low | 30.8 | Very low | 258 Ų | 258 | 122.1 Ų | 122.1 | 98% | 0.977 | 72% | 0.724 | S | S | * | * | trans | -120.4 | 64.9 | 178.3 | -74.9 | 85.8 | 0 | 0 | 0 | 112 | G209 | W207-G209 VanDerWaalsContact C-N 3.27Å; W207-G209 PolarHBondContact O-N 3.1Å | ||
| 208 | G | 24.2 | Very low | 30.2 | Very low | 84 Ų | 84 | 122.8 Ų | 122.8 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | trans | -77.7 | 63.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | G210 | G208-G210 PolarHBondContact O-N 2.99Š| ||
| 209 | G | 27.1 | Very low | 29.6 | Very low | 74 Ų | 74 | 126 Ų | 126 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | -75.2 | 113.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | W207 | W207-G209 VanDerWaalsContact C-N 3.27Å; W207-G209 PolarHBondContact O-N 3.1Å | ||
| 210 | G | 26.8 | Very low | 29 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -64.1 | 134.6 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G208 A212 | G208-G210 PolarHBondContact O-N 2.99Å; G210-A212 PolarHBondContact O-N 3.44Å | ||
| 211 | T | 25.9 | Very low | 28.5 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 91% | 0.914 | 83% | 0.828 | S | S | * | * | trans | -68.4 | 106.3 | 167.8 | 48.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 212 | A | 28.5 | Very low | 28.1 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 79% | 0.793 | 84% | 0.839 | S | S | * | * | trans | -91 | 136.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G210 A214 | G210-A212 PolarHBondContact O-N 3.44Å; A212-A214 PolarHBondContact O-N 2.91Å | ||
| 213 | E | 27.7 | Very low | 27.9 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 71% | 0.706 | 84% | 0.835 | S | S | * | * | trans | -66.3 | 118.8 | 176.3 | -77.6 | -175 | 67.6 | 0 | 0 | 111.9 | R215 | E213-R215 PolarHBondContact O-N 2.01Å; E213-R215 IonicContact OE1-CZ 2.71Å; E213-R215 IonicContact OE1-NH1 2.72Å; E213-R215 PolarHBondContact OE1-NH1 2.9Å | ||
| 214 | A | 27.4 | Very low | 27.5 | Very low | 112 Ų | 112 | 122 Ų | 122 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | trans | -79.8 | 81.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A212 | A212-A214 PolarHBondContact O-N 2.91Š| ||
| 215 | R | 28.6 | Very low | 27.5 | Very low | 206 Ų | 206 | 117.5 Ų | 117.5 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -107.2 | 104.5 | 175.6 | -107.4 | 178.8 | 166.1 | 129.3 | -7 | 112.7 | E213 | E213-R215 PolarHBondContact O-N 2.01Å; E213-R215 IonicContact OE1-CZ 2.71Å; E213-R215 IonicContact OE1-NH1 2.72Å; E213-R215 PolarHBondContact OE1-NH1 2.9Å | ||
| 216 | A | 28.5 | Very low | 27.6 | Very low | 100 Ų | 100 | 117 Ų | 117 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | 38.2 | 108.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 217 | G | 26.6 | Very low | 27.6 | Very low | 87 Ų | 87 | 120.4 Ų | 120.4 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | 89.9 | 159.2 | 131.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 218 | G | 26.7 | Very low | 27.4 | Very low | 80 Ų | 80 | 119.2 Ų | 119.2 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 127.6 | 103.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 219 | S | 26.6 | Very low | 27.5 | Very low | 129 Ų | 129 | 122 Ų | 122 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -59.8 | 152.8 | 163.7 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 220 | G | 26.3 | Very low | 27.5 | Very low | 84 Ų | 84 | 121.4 Ų | 121.4 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 162.8 | 123.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 221 | G | 25.5 | Very low | 27.5 | Very low | 84 Ų | 84 | 122.6 Ų | 122.6 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -111.6 | 169.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 222 | G | 26 | Very low | 27.5 | Very low | 79 Ų | 79 | 127 Ų | 127 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | trans | 95.9 | 168.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 223 | S | 26.7 | Very low | 27.3 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | cis | -169.5 | 151.8 | -18.5 | -159.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 224 | L | 28.7 | Very low | 27.3 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | 58.1 | 123.1 | 160.3 | -100.9 | 66.2 | 0 | 0 | 0 | 118.8 | ||||
| 225 | E | 30.6 | Very low | 27.3 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 59% | 0.593 | 79% | 0.789 | S | S | * | * | 76.8 | 147.4 | 101.1 | -80.6 | -169.2 | 145.1 | 0 | 0 | 115.9 | |||||
| 226 | R | 31.6 | Very low | 27.2 | Very low | 176 Ų | 176 | 119 Ų | 119 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | cis | -155.7 | 146.8 | 21.1 | -124.7 | 155.4 | -147.3 | -85 | -7.1 | 112.9 | ||||
| 227 | Q | 29.3 | Very low | 27 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 65% | 0.654 | 80% | 0.796 | S | S | * | * | 57.9 | 110 | 125.7 | -161.1 | 169.1 | -16.9 | 0 | 0 | 119.6 | |||||
| 228 | R | 26.6 | Very low | 27.2 | Very low | 233 Ų | 233 | 130.2 Ų | 130.2 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | 57.9 | 137.6 | 77.4 | -58 | -179.3 | 179.5 | -158.2 | 1.2 | 113.3 | |||||
| 229 | V | 25.5 | Very low | 27.2 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | cis | -158.4 | 157.5 | 45.4 | 172.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 230 | G | 26.9 | Very low | 27.4 | Very low | 61 Ų | 61 | 140.8 Ų | 140.8 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | cis | 151 | 165.9 | -3.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 231 | A | 26.9 | Very low | 27.5 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 65.6 | 141.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 232 | R | 26.7 | Very low | 27.4 | Very low | 242 Ų | 242 | 145.2 Ų | 145.2 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | cis | -162.1 | 162.6 | 2.2 | -112.2 | 171.1 | -179.4 | 172.3 | -0.8 | 106.2 | ||||
| 233 | A | 25.1 | Very low | 27.3 | Very low | 81 Ų | 81 | 151 Ų | 151 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | cis | -160.8 | -174.5 | -4.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 234 | S | 27.7 | Very low | 27.2 | Very low | 128 Ų | 128 | 151.2 Ų | 151.2 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | trans | 70.5 | 142.6 | 170.2 | 73.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 235 | G | 26.8 | Very low | 27 | Very low | 76 Ų | 76 | 147.7 Ų | 147.7 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | 104.5 | -2.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | W237 | G235-W237 PolarHBondContact O-N 2.84Š| ||
| 236 | S | 26.2 | Very low | 26.8 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -73.7 | 114.3 | -170.8 | -169.3 | 0 | 0 | 0 | 0 | 114.8 | E238 | S236-E238 PolarHBondContact O-N 3.38Š| ||
| 237 | W | 24.5 | Very low | 26.6 | Very low | 255 Ų | 255 | 150.6 Ų | 150.6 | 97% | 0.966 | 79% | 0.792 | S | S | * | * | trans | -84.8 | 91 | 162.9 | -93.5 | 82.8 | 0 | 0 | 0 | 110.8 | G235 | G235-W237 PolarHBondContact O-N 2.84Š| ||
| 238 | E | 29.9 | Very low | 26.6 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | trans | -165.6 | 121.3 | 162.8 | -128.8 | 178.3 | -147.3 | 0 | 0 | 113.9 | S236 | S236-E238 PolarHBondContact O-N 3.38Š| ||
| 239 | R | 26.4 | Very low | 26.7 | Very low | 208 Ų | 208 | 150.5 Ų | 150.5 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | -174.7 | 118.8 | 119 | -174.8 | 152.4 | -65.8 | -117.2 | -6.1 | 112 | |||||
| 240 | R | 32.8 | Very low | 27 | Very low | 223 Ų | 223 | 155.6 Ų | 155.6 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -62.4 | 134.9 | 162.9 | 180 | -169.2 | -61.7 | -107.7 | 1.7 | 109.9 | ||||
| 241 | Q | 27.5 | Very low | 27.1 | Very low | 159 Ų | 159 | 160.6 Ų | 160.6 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -132.3 | 126.6 | 159.1 | -81.3 | -67.5 | 16.6 | 0 | 0 | 111.1 | ||||
| 242 | T | 24.2 | Very low | 27 | Very low | 101 Ų | 101 | 159.7 Ų | 159.7 | 62% | 0.62 | 80% | 0.803 | S | S | * | * | trans | -91.2 | 145.4 | 162.1 | 47.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 243 | F | 23.4 | Very low | 27.2 | Very low | 201 Ų | 201 | 154.3 Ų | 154.3 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -162.6 | 158.7 | 133.7 | -113.5 | -71.3 | 0 | 0 | 0 | 112 | ||||
| 244 | S | 25 | Very low | 27.3 | Very low | 108 Ų | 108 | 154.3 Ų | 154.3 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -97.1 | 145.3 | -174.2 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 245 | G | 23.5 | Very low | 27.2 | Very low | 60 Ų | 60 | 152.4 Ų | 152.4 | 62% | 0.619 | 81% | 0.811 | S | S | * | * | trans | -154.8 | 118.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 246 | S | 27.2 | Very low | 27.2 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | cis | 59.7 | 91 | 49.9 | -163.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 247 | W | 26.9 | Very low | 27.2 | Very low | 252 Ų | 252 | 151.5 Ų | 151.5 | 96% | 0.955 | 82% | 0.82 | S | S | * | * | trans | -128.8 | 132.2 | 161.5 | -85.4 | 91.9 | 0 | 0 | 0 | 108.8 | ||||
| 248 | E | 28.9 | Very low | 27.3 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | trans | -91.1 | 175.8 | -166.6 | -66.7 | -173 | 92.1 | 0 | 0 | 113.8 | ||||
| 249 | R | 29.7 | Very low | 27.2 | Very low | 204 Ų | 204 | 140.7 Ų | 140.7 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 142.5 | 174.1 | -53.2 | 168.1 | -129.6 | -124.6 | -0.9 | 111.9 | H251 | R249-H251 WeakPolarHBondContact CD-NE2 3.22Š|
| 250 | R | 30 | Very low | 27.4 | Very low | 251 Ų | 251 | 134.7 Ų | 134.7 | 95% | 0.947 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 131.4 | 138.5 | -87.7 | -168.5 | 172.3 | -138.5 | -1.3 | 109.6 | ||
| 251 | H | 29.6 | Very low | 27.2 | Very low | 166 Ų | 166 | 134 Ų | 134 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 161.3 | 166.8 | -74.6 | -114.7 | 0 | 0 | 0 | 109.8 | R249 | R249-H251 WeakPolarHBondContact CD-NE2 3.22Š|
| 252 | G | 26.1 | Very low | 28.2 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | 113.2 | 74 | 141.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 253 | S | 30.6 | Very low | 28.3 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | trans | -144.6 | 157 | 131 | 61.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 254 | G | 27.1 | Very low | 28.4 | Very low | 81 Ų | 81 | 125 Ų | 125 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | -159.6 | 171.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 255 | G | 25.9 | Very low | 28.5 | Very low | 88 Ų | 88 | 125.2 Ų | 125.2 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | trans | 116.1 | 123.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 256 | G | 25.8 | Very low | 28.5 | Very low | 81 Ų | 81 | 132.3 Ų | 132.3 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | cis | 172 | 167.1 | -7.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 257 | G | 26 | Very low | 28.8 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 92% | 0.918 | 82% | 0.823 | S | S | * | * | trans | 85.4 | 155.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 258 | G | 26.3 | Very low | 29.1 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | 120.9 | 77 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 259 | A | 28.8 | Very low | 29.2 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 93% | 0.934 | 81% | 0.809 | S | S | * | * | trans | -54.7 | 157.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 260 | G | 30.3 | Very low | 29.2 | Very low | 81 Ų | 81 | 127.9 Ų | 127.9 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | 152.3 | 99 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 261 | K | 29.7 | Very low | 29 | Very low | 209 Ų | 209 | 120.5 Ų | 120.5 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -148.9 | 162.3 | 164.2 | -104.2 | -171 | -179.7 | -178.6 | 0 | 107.5 | ||||
| 262 | P | 46.6 | Very low | 28.8 | Very low | 124 Ų | 124 | 115.8 Ų | 115.8 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | cis | -134.5 | -173.4 | -19.8 | 40 | -23.2 | 0 | 0 | 0 | 113.1 | ||||
| 263 | G | 26.4 | Very low | 29 | Very low | 79 Ų | 79 | 118.4 Ų | 118.4 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 98.1 | 155.5 | 155 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 264 | G | 25.8 | Very low | 28.9 | Very low | 68 Ų | 68 | 115.3 Ų | 115.3 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | cis | 131.4 | 85.1 | -11.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 265 | S | 27.4 | Very low | 29.3 | Very low | 113 Ų | 113 | 115 Ų | 115 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -141.4 | 117.4 | 158.8 | -157 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 266 | W | 23.8 | Very low | 29.7 | Very low | 210 Ų | 210 | 112.9 Ų | 112.9 | 80% | 0.795 | 77% | 0.769 | S | S | * | * | 57.6 | 126.3 | 56.7 | -52.1 | 115.5 | 0 | 0 | 0 | 111.7 | |||||
| 267 | E | 33.4 | Very low | 30.5 | Very low | 87 Ų | 87 | 111.9 Ų | 111.9 | 41% | 0.407 | 75% | 0.749 | S | S | . | * | cis | -155 | 176.7 | -23.8 | -133.1 | -165.4 | 154 | 0 | 0 | 105.8 | R269 | E267-R269 IonicContact OE1-CZ 3.88Å; E267-R269 IonicContact OE1-NE 3.99Å; E267-R269 PolarHBondContact OE1-NE 2.67Å; E267-R269 IonicContact OE1-NH2 2.69Å; E267-R269 PolarHBondContact OE1-NH2 3.47Å | ||
| 268 | R | 33 | Very low | 31.5 | Very low | 188 Ų | 188 | 117.4 Ų | 117.4 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | cis | -153.6 | 153.6 | 34.3 | -117.4 | 159.8 | -86.2 | -68.7 | -12.7 | 107.2 | ||||
| 269 | R | 31.3 | Very low | 32.8 | Very low | 194 Ų | 194 | 121 Ų | 121 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | 42.3 | 134.1 | 88.3 | -47.5 | -169.2 | -162 | -134.5 | 0.1 | 114.5 | E267 | E267-R269 IonicContact OE1-CZ 3.88Å; E267-R269 IonicContact OE1-NE 3.99Å; E267-R269 PolarHBondContact OE1-NE 2.67Å; E267-R269 IonicContact OE1-NH2 2.69Å; E267-R269 PolarHBondContact OE1-NH2 3.47Å | |||
| 270 | Q | 29.6 | Very low | 33.8 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | cis | -161.7 | 168.9 | 8.4 | -114.5 | -104.8 | -1.1 | 0 | 0 | 110.4 | ||||
| 271 | A | 25.4 | Very low | 34.9 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | trans | 63.2 | 142.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 272 | G | 26.7 | Very low | 35.5 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 70% | 0.701 | S | S | * | * | cis | -176.5 | 158.4 | -6.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 273 | S | 29.5 | Very low | 35.6 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 95% | 0.951 | 71% | 0.707 | S | S | * | * | trans | 59.1 | 130.9 | -178.3 | -62.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 274 | G | 28.5 | Very low | 36.8 | Very low | 64 Ų | 64 | 124.4 Ų | 124.4 | 66% | 0.66 | 69% | 0.694 | S | S | * | * | cis | 146.9 | 75.5 | 5 | 0 | 0 | 0 | 0 | 0 | 109.7 | R281 | G274-R281 PolarHBondContact O-NH2 3.37Š| ||
| 275 | G | 35.8 | Very low | 38 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 75% | 0.753 | 70% | 0.695 | S | S | * | * | trans | -149.3 | 31.9 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 276 | G | 34.5 | Very low | 39.2 | Very low | 45 Ų | 45 | 125 Ų | 125 | 46% | 0.464 | 68% | 0.678 | S | S | . | * | trans | -68 | 157.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 277 | S | 42.7 | Very low | 40.7 | Very low | 59 Ų | 59 | 120.9 Ų | 120.9 | 41% | 0.413 | 68% | 0.679 | S | S | . | * | trans | -45.6 | 153.3 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 114.2 | E279 R280 | S277-E279 WeakPolarHBondContact CB-OE2 3.42Å; S277-E279 PolarHBondContact O-N 3.02Å; S277-E279 VanDerWaalsContact O-N 3.13Å; S277-E279 PolarHBondContact OG-OE2 3.09Å; S277-R280 PolarHBondContact O-N 2.95Å | ||
| 278 | W | 46.9 | Very low | 41.3 | Very low | 205 Ų | 205 | 124 Ų | 124 | 78% | 0.777 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -50.3 | -39.3 | -177.4 | -149.7 | -66.5 | 0 | 0 | 0 | 112.4 | R280 R281 | W278-R280 PolarHBondContact O-N 3.1Å; W278-R281 PolarHBondContact O-N 2.92Å |
| 279 | E | 53 | Low | 41.9 | Very low | 158 Ų | 158 | 120.2 Ų | 120.2 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -54.8 | -23.8 | 177.5 | -54.1 | 141.2 | 145.2 | 0 | 0 | 113.7 | S277 | S277-E279 WeakPolarHBondContact CB-OE2 3.42Å; S277-E279 PolarHBondContact O-N 3.02Å; S277-E279 VanDerWaalsContact O-N 3.13Å; S277-E279 PolarHBondContact OG-OE2 3.09Å |
| 280 | R | 49.3 | Very low | 42.5 | Very low | 210 Ų | 210 | 116.5 Ų | 116.5 | 79% | 0.792 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -99.2 | 2.7 | -178.6 | -98 | -173.2 | -85.3 | -113.8 | -0.5 | 114.7 | S277 W278 | S277-R280 PolarHBondContact O-N 2.95Å; W278-R280 PolarHBondContact O-N 3.1Å |
| 281 | R | 54 | Low | 43.4 | Very low | 148 Ų | 148 | 116.3 Ų | 116.3 | 56% | 0.558 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -20.3 | 178.8 | -67.2 | -167.9 | -172.5 | -109.7 | 10.7 | 115.2 | G274 W278 | G274-R281 PolarHBondContact O-NH2 3.37Å; W278-R281 PolarHBondContact O-N 2.92Å |
| 282 | H | 41.3 | Very low | 44.2 | Very low | 124 Ų | 124 | 118.2 Ų | 118.2 | 57% | 0.574 | 69% | 0.688 | S | S | * | * | trans | -131.1 | 103.9 | -176 | -65.1 | -75.3 | 0 | 0 | 0 | 111.7 | G284 | H282-G284 VanDerWaalsContact C-N 3.26Å; H282-G284 PolarHBondContact O-N 2.93Å | ||
| 283 | P | 50.1 | Low | 45.1 | Very low | 144 Ų | 144 | 120.5 Ų | 120.5 | 94% | 0.935 | 69% | 0.691 | S | S | * | * | trans | -78.7 | 77.2 | 168.2 | 32.8 | -32.9 | 0 | 0 | 0 | 109.7 | ||||
| 284 | G | 51.4 | Low | 45.9 | Very low | 52 Ų | 52 | 116.3 Ų | 116.3 | 54% | 0.536 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -171.6 | 159.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H282 | H282-G284 VanDerWaalsContact C-N 3.26Å; H282-G284 PolarHBondContact O-N 2.93Å |
| 285 | P | 51 | Low | 47 | Very low | 112 Ų | 112 | 117.8 Ų | 117.8 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | trans | -64.4 | 144.7 | 179.5 | 27.5 | -34.4 | 0 | 0 | 0 | 111.5 | P287 | P285-P287 WeakPolarHBondContact O-CD 3.45Š| ||
| 286 | N | 51.9 | Low | 47.7 | Very low | 82 Ų | 82 | 120.1 Ų | 120.1 | 44% | 0.439 | 66% | 0.655 | S | S | . | * | trans | -69.9 | 119.5 | 178.1 | -179.2 | 23.1 | 0 | 0 | 0 | 110 | L288 D289 | N286-L288 PolarHBondContact O-N 2.76Å; N286-D289 HydrophobicContact CB-CB 4.48Å; N286-D289 VanDerWaalsContact CB-OD2 3.32Å; N286-D289 WeakPolarHBondContact CB-OD2 3.01Å; N286-D289 PolarHBondContact ND2-OD2 3.28Å; N286-D289 PolarHBondContact O-N 2.93Å | ||
| 287 | P | 55.7 | Low | 49.2 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 80% | 0.799 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 12.2 | -174.5 | 31.7 | -37.7 | 0 | 0 | 0 | 114.5 | P285 | P285-P287 WeakPolarHBondContact O-CD 3.45Š|
| 288 | L | 45.4 | Very low | 51.1 | Low | 152 Ų | 152 | 121.3 Ų | 121.3 | 80% | 0.796 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.2 | 5.6 | -180 | -66.3 | 175.4 | 0 | 0 | 0 | 113.7 | N286 P290 | N286-L288 PolarHBondContact O-N 2.76Å; L288-P290 WeakPolarHBondContact O-CD 3.4Å |
| 289 | D | 45.3 | Very low | 53.1 | Low | 108 Ų | 108 | 111.9 Ų | 111.9 | 58% | 0.578 | 61% | 0.609 | S | S | * | * | trans | -91.3 | 117.6 | 167.9 | -82.3 | -53.8 | 0 | 0 | 0 | 110.3 | N286 Q291 | N286-D289 HydrophobicContact CB-CB 4.48Å; N286-D289 VanDerWaalsContact CB-OD2 3.32Å; N286-D289 WeakPolarHBondContact CB-OD2 3.01Å; N286-D289 PolarHBondContact ND2-OD2 3.28Å; N286-D289 PolarHBondContact O-N 2.93Å; D289-Q291 PolarHBondContact O-N 2.95Å; D289-Q291 VanDerWaalsContact O-N 3.15Å | ||
| 290 | P | 45.5 | Very low | 54.9 | Low | 117 Ų | 117 | 104.6 Ų | 104.6 | 76% | 0.76 | 58% | 0.576 | S | S | * | * | trans | -67.4 | 107.9 | 163.1 | -12.6 | 28.9 | 0 | 0 | 0 | 107.9 | L288 D292 | L288-P290 WeakPolarHBondContact O-CD 3.4Å; P290-D292 VanDerWaalsContact C-N 3.25Å; P290-D292 PolarHBondContact O-N 3.36Å; P290-D292 VanDerWaalsContact O-N 3.13Å | ||
| 291 | Q | 47.3 | Very low | 57 | Low | 167 Ų | 167 | 94.7 Ų | 94.7 | 78% | 0.78 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -72.5 | -13.2 | -157.6 | -152.9 | 170.3 | 9.9 | 0 | 0 | 115.4 | D289 | D289-Q291 PolarHBondContact O-N 2.95Å; D289-Q291 VanDerWaalsContact O-N 3.15Å |
| 292 | D | 41.6 | Very low | 58.9 | Low | 137 Ų | 137 | 87.7 Ų | 87.7 | 73% | 0.733 | 51% | 0.512 | S | S | * | . | trans | -143.5 | 127.5 | 167.9 | -79.9 | -65.1 | 0 | 0 | 0 | 110 | P290 S294 | P290-D292 VanDerWaalsContact C-N 3.25Å; P290-D292 PolarHBondContact O-N 3.36Å; P290-D292 VanDerWaalsContact O-N 3.13Å; D292-S294 PolarHBondContact O-N 3.2Å | ||
| 293 | P | 46.3 | Very low | 61.4 | Low | 115 Ų | 115 | 81.8 Ų | 81.8 | 75% | 0.747 | 49% | 0.485 | S | S | * | . | trans | -79.1 | 75.9 | 162.4 | 33.3 | -32.1 | 0 | 0 | 0 | 108.9 | ||||
| 294 | S | 46.7 | Very low | 63.6 | Low | 48 Ų | 48 | 75 Ų | 75 | 34% | 0.336 | 44% | 0.441 | S | S | . | . | trans | -61.9 | 144.3 | 177.6 | 71.1 | 0 | 0 | 0 | 0 | 110.8 | D292 D296 A297 | D292-S294 PolarHBondContact O-N 3.2Å; S294-D296 PolarHBondContact O-N 3.42Å; S294-D296 VanDerWaalsContact O-N 3.14Å; S294-A297 WeakPolarHBondContact O-CB 3.17Å; S294-A297 PolarHBondContact O-N 2.88Å | ||
| 295 | P | 50.9 | Low | 65.7 | Low | 95 Ų | 95 | 72.7 Ų | 72.7 | 62% | 0.617 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -61.2 | -23.8 | 178.4 | 25 | -33.8 | 0 | 0 | 0 | 112.2 | L157 A297 Y298 | L157-P295 WeakPolarHBondContact CD1-O 3.29Å; P295-A297 PolarHBondContact O-N 2.81Å; P295-A297 VanDerWaalsContact O-N 3.15Å; P295-Y298 PolarHBondContact O-N 3.3Å |
| 296 | D | 51.9 | Low | 67.7 | Low | 122 Ų | 122 | 68 Ų | 68 | 65% | 0.652 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -65.3 | -10 | 174.1 | -41.3 | -75.7 | 0 | 0 | 0 | 113.9 | S76 S294 Y298 | S76-D296 WeakPolarHBondContact CB-O 3.35Å; S76-D296 PolarHBondContact OG-O 2.89Å; S294-D296 PolarHBondContact O-N 3.42Å; S294-D296 VanDerWaalsContact O-N 3.14Å; D296-Y298 VanDerWaalsContact C-N 3.27Å; D296-Y298 PolarHBondContact O-N 2.86Å |
| 297 | A | 65.7 | Low | 69.6 | Low | 35 Ų | 35 | 68 Ų | 68 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -75.2 | -12.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S76 S294 P295 | S76-A297 PolarHBondContact N-O 2.96Å; S76-A297 VanDerWaalsContact OG-C 3.26Å; S76-A297 WeakPolarHBondContact OG-CA 3.48Å; S76-A297 PolarHBondContact OG-O 3.35Å; S294-A297 WeakPolarHBondContact O-CB 3.17Å; S294-A297 PolarHBondContact O-N 2.88Å; P295-A297 PolarHBondContact O-N 2.81Å; P295-A297 VanDerWaalsContact O-N 3.15Å |
| 298 | Y | 81.6 | Confident | 71.4 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 37% | 0.365 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 157.3 | -175.6 | -60.3 | -76.4 | 0 | 0 | 0 | 113 | W73 V74 P295 D296 | W73-Y298 HydrophobicContact CB-CD1 4.49Å; W73-Y298 HydrophobicContact CE3-CD2 4.23Å; W73-Y298 HydrophobicContact CE3-CG 4.15Å; W73-Y298 WeakPolarHBondContact O-CD1 3.29Å; V74-Y298 CarbonylContact O-C 3.48Å; V74-Y298 VanDerWaalsContact O-CA 3.32Å; V74-Y298 WeakPolarHBondContact O-CA 3.32Å; P295-Y298 PolarHBondContact O-N 3.3Å; D296-Y298 VanDerWaalsContact C-N 3.27Å; D296-Y298 PolarHBondContact O-N 2.86Å |
| 299 | C | 88.4 | Confident | 73.5 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 5% | 0.047 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 168.5 | 177.6 | 66.3 | 0 | 0 | 0 | 0 | 109.8 | V74 K154 T155 | V74-C299 WeakPolarHBondContact CB-O 3.46Å; V74-C299 PolarHBondContact N-O 2.92Å; V74-C299 PolarHBondContact O-N 3.27Å; V74-C299 PolarHBondContact O-SG 3.11Å; K154-C299 VanDerWaalsContact CE-SG 3.56Å; T155-C299 WeakPolarHBondContact O-CB 3.27Å |
| 300 | N | 91.6 | Very high | 75.7 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.027 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 151.3 | 175.4 | -68.1 | -7.2 | 0 | 0 | 0 | 110.3 | H70 L71 T72 T155 L157 V159 | H70-N300 PolarHBondContact CE1-ND2 3.42Å; H70-N300 WeakPolarHBondContact NE2-CB 3.3Å; H70-N300 PolarHBondContact NE2-ND2 2.71Å; L71-N300 CarbonylContact O-C 3.59Å; L71-N300 VanDerWaalsContact O-CA 3.31Å; L71-N300 WeakPolarHBondContact O-CA 3.19Å; T72-N300 WeakPolarHBondContact CA-OD1 3.2Å; T155-N300 PolarHBondContact N-O 2.71Å; T155-N300 PolarHBondContact O-N 2.82Å; T155-N300 WeakPolarHBondContact OG1-CB 3.45Å; L157-N300 WeakPolarHBondContact CD2-OD1 3.25Å; V159-N300 PolarHBondContact O-ND2 3.15Å |
| 301 | L | 92.9 | Very high | 77.9 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.1 | 171.2 | -58.8 | -179.1 | 0 | 0 | 0 | 110.4 | L71 V74 L78 L86 L89 V152 L153 K154 I303 | L71-L301 HydrophobicContact CB-CB 4.36Å; L71-L301 PolarHBondContact N-O 2.74Å; L71-L301 PolarHBondContact O-N 3.25Å; V74-L301 HydrophobicContact CB-CG 4.32Å; V74-L301 HydrophobicContact CG1-CD1 4.04Å; V74-L301 HydrophobicContact CG1-CG 4.15Å; V74-L301 HydrophobicContact CG2-CD1 4.12Å; V74-L301 HydrophobicContact CG2-CG 4.08Å; L78-L301 HydrophobicContact CD2-CD1 3.83Å; L78-L301 HydrophobicContact CD2-CD2 4.33Å; L86-L301 HydrophobicContact CD2-CD1 4.33Å; L89-L301 HydrophobicContact CD1-CD1 4.42Å; L89-L301 HydrophobicContact CD2-CD1 3.93Å; V152-L301 HydrophobicContact CG1-CB 4.36Å; V152-L301 HydrophobicContact CG1-CD2 4.13Å; L153-L301 WeakPolarHBondContact O-CA 3.31Å; K154-L301 HydrophobicContact CB-CD2 3.93Å; K154-L301 HydrophobicContact CG-CD2 3.99Å; L301-I303 HydrophobicContact CB-CD1 3.72Å |
| 302 | V | 94.3 | Very high | 80 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119 | 170 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | F67 L130 I132 L153 L304 | F67-V302 HydrophobicContact CE2-CG1 4.28Å; L130-V302 HydrophobicContact CD1-CG1 3.99Å; L130-V302 HydrophobicContact CD1-CG2 4.13Å; I132-V302 HydrophobicContact CD1-CB 4.44Å; I132-V302 HydrophobicContact CD1-CG1 4.42Å; I132-V302 HydrophobicContact CD1-CG2 3.91Å; L153-V302 HydrophobicContact CB-CB 4.28Å; L153-V302 PolarHBondContact N-O 2.82Å; L153-V302 PolarHBondContact O-N 3.43Å; V302-L304 HydrophobicContact CG1-CD2 4.15Å; V302-L304 HydrophobicContact CG1-CG 4.25Å |
| 303 | I | 94.8 | Very high | 82.3 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 111.6 | -174.3 | -45.5 | -52.6 | 0 | 0 | 0 | 109.7 | L68 G69 L71 L90 L99 V152 L301 | L68-I303 HydrophobicContact CB-CB 4.33Å; L68-I303 HydrophobicContact CB-CG2 4.11Å; L68-I303 HydrophobicContact CD1-CG2 4.12Å; L68-I303 HydrophobicContact CG-CG2 4.44Å; L68-I303 PolarHBondContact N-O 2.86Å; G69-I303 PolarHBondContact N-O 2.87Å; G69-I303 PolarHBondContact O-N 3.47Å; L71-I303 HydrophobicContact CD1-CG1 4.35Å; L71-I303 HydrophobicContact CG-CG1 4.34Å; L90-I303 HydrophobicContact CD2-CD1 3.81Å; L90-I303 HydrophobicContact CD2-CG1 3.91Å; L90-I303 HydrophobicContact CD2-CG2 3.89Å; L99-I303 HydrophobicContact CD1-CG1 4.25Å; L99-I303 HydrophobicContact CD2-CB 4.43Å; L99-I303 HydrophobicContact CD2-CG1 4.3Å; V152-I303 HydrophobicContact CB-CD1 4.49Å; V152-I303 HydrophobicContact CG1-CD1 3.87Å; V152-I303 HydrophobicContact CG2-CD1 3.99Å; L301-I303 HydrophobicContact CB-CD1 3.72Å |
| 304 | L | 95.4 | Very high | 84.5 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.8 | 177.2 | -54.9 | 176.8 | 0 | 0 | 0 | 110.3 | V65 K66 F67 L111 L120 L150 L151 L153 V302 | V65-L304 HydrophobicContact CG2-CD1 4.42Å; V65-L304 HydrophobicContact CG2-CD2 4.33Å; K66-L304 CarbonylContact O-C 3.59Å; K66-L304 WeakPolarHBondContact O-CA 3.38Å; F67-L304 HydrophobicContact CD2-CD2 4.02Å; L111-L304 HydrophobicContact CD1-CD1 4.44Å; L111-L304 HydrophobicContact CD2-CD1 3.97Å; L120-L304 HydrophobicContact CD1-CD1 4.48Å; L120-L304 HydrophobicContact CD1-CD2 3.84Å; L120-L304 HydrophobicContact CD2-CD2 3.84Å; L150-L304 CarbonylContact C-O 3.51Å; L150-L304 VanDerWaalsContact CA-O 3.32Å; L150-L304 WeakPolarHBondContact CA-O 3.44Å; L151-L304 HydrophobicContact CB-CB 4.3Å; L151-L304 HydrophobicContact CD2-CD1 4.35Å; L151-L304 PolarHBondContact N-O 3.39Å; L151-L304 WeakPolarHBondContact O-CB 3.41Å; L151-L304 PolarHBondContact O-N 2.92Å; L153-L304 HydrophobicContact CD1-CD1 4.47Å; V302-L304 HydrophobicContact CG1-CD2 4.15Å; V302-L304 HydrophobicContact CG1-CG 4.25Å |
| 305 | A | 94.8 | Very high | 86.7 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V65 K66 L68 T103 H149 L150 | V65-A305 CarbonylContact C-O 3.51Å; V65-A305 WeakPolarHBondContact CA-O 3.19Å; K66-A305 HydrophobicContact CB-CB 4.3Å; K66-A305 PolarHBondContact N-O 2.76Å; K66-A305 PolarHBondContact O-N 2.95Å; L68-A305 HydrophobicContact CD1-CB 4.14Å; L68-A305 HydrophobicContact CD2-CB 4.08Å; L68-A305 HydrophobicContact CG-CB 4.19Å; T103-A305 HydrophobicContact CG2-CB 4.27Å; H149-A305 CarbonylContact O-C 3.54Å; H149-A305 WeakPolarHBondContact O-CA 3.28Å; L150-A305 HydrophobicContact CD2-CB 3.88Å |
| 306 | V | 94.3 | Very high | 88.6 | Confident | 12 Ų | 12 | 37 Ų | 37 | 7% | 0.073 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 150.3 | -179.8 | -168.7 | 0 | 0 | 0 | 0 | 108.5 | V65 H149 L151 N308 A311 A312 | V65-V306 HydrophobicContact CG1-CG2 4.38Å; H149-V306 PolarHBondContact O-N 3.09Å; L151-V306 HydrophobicContact CB-CG2 3.96Å; V306-N308 PolarHBondContact O-N 3.39Å; V306-A311 HydrophobicContact CG1-CB 3.63Å; V306-A312 HydrophobicContact CB-CB 4.15Å; V306-A312 HydrophobicContact CG1-CB 4.34Å; V306-A312 HydrophobicContact CG2-CB 4.16Å |
| 307 | A | 91.7 | Very high | 90.4 | Very high | 83 Ų | 83 | 32 Ų | 32 | 69% | 0.686 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -64.3 | -40.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 308 | N | 91.9 | Very high | 91.6 | Very high | 86 Ų | 86 | 30.4 Ų | 30.4 | 46% | 0.46 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -133 | 156.3 | -170.2 | -57.3 | 1.2 | 0 | 0 | 0 | 110.5 | V306 D310 A311 A312 | V306-N308 PolarHBondContact O-N 3.39Å; N308-D310 PolarHBondContact O-N 3.25Å; N308-A311 HydrophobicContact CB-CB 4.28Å; N308-A311 PolarHBondContact O-N 3.41Å; N308-A312 PolarHBondContact O-N 3.24Å |
| 309 | R | 91.2 | Very high | 92.1 | Very high | 130 Ų | 130 | 26 Ų | 26 | 49% | 0.491 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -52.4 | -52.7 | 166.3 | 175.9 | 175.4 | 174.5 | -156.1 | -15.1 | 111.8 | Y142 H149 A311 A312 E313 | Y142-R309 HydrophobicContact CE1-CG 4.18Å; H149-R309 PolarHBondContact CD2-N 2.97Å; H149-R309 PolarHBondContact NE2-N 2.98Å; R309-A311 VanDerWaalsContact C-N 3.27Å; R309-A311 PolarHBondContact O-N 3Å; R309-A312 WeakPolarHBondContact O-CA 3.23Å; R309-A312 WeakPolarHBondContact O-CB 3.39Å; R309-A312 PolarHBondContact O-N 3.28Å; R309-E313 HydrophobicContact CG-CG 4.31Å; R309-E313 IonicContact CZ-OE1 3.19Å; R309-E313 IonicContact NE-OE1 3.53Å; R309-E313 PolarHBondContact NE-OE1 3.43Å; R309-E313 IonicContact NE-OE2 3.22Å; R309-E313 IonicContact NH2-OE1 3.75Å; R309-E313 PolarHBondContact NH2-OE1 2.92Å; R309-E313 IonicContact NH2-OE2 2.82Å; R309-E313 PolarHBondContact O-N 2.92Å |
| 310 | D | 91.2 | Very high | 92.1 | Very high | 95 Ų | 95 | 26.5 Ų | 26.5 | 51% | 0.508 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -61.6 | -38 | -171.8 | -39.9 | -28.3 | 0 | 0 | 0 | 111.4 | Y49 N308 A312 E313 E314 | Y49-D310 PolarHBondContact OH-O 3.23Å; N308-D310 PolarHBondContact O-N 3.25Å; D310-A312 VanDerWaalsContact C-N 3.33Å; D310-A312 PolarHBondContact O-N 3.49Å; D310-E313 PolarHBondContact O-N 3.15Å; D310-E314 VanDerWaalsContact O-CB 3.25Å; D310-E314 WeakPolarHBondContact O-CB 3.24Å; D310-E314 PolarHBondContact O-N 3.32Å |
| 311 | A | 91.6 | Very high | 91.9 | Very high | 26 Ų | 26 | 27.1 Ų | 27.1 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71 | -25.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V306 N308 R309 S315 | V306-A311 HydrophobicContact CG1-CB 3.63Å; N308-A311 HydrophobicContact CB-CB 4.28Å; N308-A311 PolarHBondContact O-N 3.41Å; R309-A311 VanDerWaalsContact C-N 3.27Å; R309-A311 PolarHBondContact O-N 3Å; A311-S315 VanDerWaalsContact O-CB 3.27Å; A311-S315 WeakPolarHBondContact O-CB 3.48Å; A311-S315 PolarHBondContact O-N 3.18Å; A311-S315 PolarHBondContact O-OG 3.45Å |
| 312 | A | 91.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77 | -41.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y142 V306 N308 R309 D310 S315 C316 | Y142-A312 HydrophobicContact CD2-CB 3.49Å; Y142-A312 VanDerWaalsContact CD2-CB 3.49Å; Y142-A312 HydrophobicContact CE2-CB 3.84Å; Y142-A312 HydrophobicContact CG-CB 4.05Å; V306-A312 HydrophobicContact CB-CB 4.15Å; V306-A312 HydrophobicContact CG1-CB 4.34Å; V306-A312 HydrophobicContact CG2-CB 4.16Å; N308-A312 PolarHBondContact O-N 3.24Å; R309-A312 WeakPolarHBondContact O-CA 3.23Å; R309-A312 WeakPolarHBondContact O-CB 3.39Å; R309-A312 PolarHBondContact O-N 3.28Å; D310-A312 VanDerWaalsContact C-N 3.33Å; D310-A312 PolarHBondContact O-N 3.49Å; A312-S315 PolarHBondContact O-N 2.85Å; A312-C316 WeakPolarHBondContact O-CB 3.3Å; A312-C316 PolarHBondContact O-N 3.47Å; A312-C316 PolarHBondContact O-SG 3.15Å |
| 313 | E | 90.4 | Very high | 91.4 | Very high | 42 Ų | 42 | 27.7 Ų | 27.7 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 172.5 | -69.2 | -177.2 | 170.6 | 0 | 0 | 111.5 | Y49 Y142 R309 D310 C316 A317 | Y49-E313 HydrophobicContact CE2-CB 4.04Å; Y142-E313 HydrophobicContact CD1-CG 4.47Å; R309-E313 HydrophobicContact CG-CG 4.31Å; R309-E313 IonicContact CZ-OE1 3.19Å; R309-E313 IonicContact NE-OE1 3.53Å; R309-E313 PolarHBondContact NE-OE1 3.43Å; R309-E313 IonicContact NE-OE2 3.22Å; R309-E313 IonicContact NH2-OE1 3.75Å; R309-E313 PolarHBondContact NH2-OE1 2.92Å; R309-E313 IonicContact NH2-OE2 2.82Å; R309-E313 PolarHBondContact O-N 2.92Å; D310-E313 PolarHBondContact O-N 3.15Å; E313-C316 PolarHBondContact O-N 3.43Å; E313-A317 WeakPolarHBondContact O-CB 3.32Å; E313-A317 PolarHBondContact O-N 2.92Å |
| 314 | E | 92.2 | Very high | 91 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 10% | 0.103 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 172 | -173.3 | -169.9 | -156.2 | 0 | 0 | 111.7 | L44 Y49 K63 D310 C316 A317 L318 | L44-E314 HydrophobicContact CB-CG 4.43Å; L44-E314 WeakPolarHBondContact CB-OE1 3.39Å; L44-E314 HydrophobicContact CD1-CG 3.86Å; L44-E314 WeakPolarHBondContact CD1-OE1 3.42Å; L44-E314 WeakPolarHBondContact CG-OE1 3.44Å; Y49-E314 HydrophobicContact CD1-CB 3.82Å; Y49-E314 HydrophobicContact CD1-CG 3.74Å; Y49-E314 HydrophobicContact CD2-CB 4.5Å; Y49-E314 HydrophobicContact CE1-CB 3.87Å; Y49-E314 HydrophobicContact CE1-CG 4.23Å; Y49-E314 HydrophobicContact CG-CB 4.13Å; Y49-E314 HydrophobicContact CG-CG 4.11Å; K63-E314 WeakPolarHBondContact CE-OE2 3.27Å; K63-E314 IonicContact NZ-OE1 2.68Å; K63-E314 PolarHBondContact NZ-OE1 3.34Å; K63-E314 IonicContact NZ-OE2 3.68Å; K63-E314 PolarHBondContact NZ-OE2 3.1Å; D310-E314 VanDerWaalsContact O-CB 3.25Å; D310-E314 WeakPolarHBondContact O-CB 3.24Å; D310-E314 PolarHBondContact O-N 3.32Å; E314-C316 VanDerWaalsContact C-N 3.32Å; E314-C316 PolarHBondContact O-N 2.75Å; E314-A317 PolarHBondContact O-N 3.32Å; E314-L318 HydrophobicContact CG-CD1 4.43Å; E314-L318 WeakPolarHBondContact O-CG 3.3Å; E314-L318 PolarHBondContact O-N 2.9Å |
| 315 | S | 92.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -37.9 | 179.1 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | A311 A312 I319 | A311-S315 VanDerWaalsContact O-CB 3.27Å; A311-S315 WeakPolarHBondContact O-CB 3.48Å; A311-S315 PolarHBondContact O-N 3.18Å; A311-S315 PolarHBondContact O-OG 3.45Å; A312-S315 PolarHBondContact O-N 2.85Å; S315-I319 WeakPolarHBondContact O-CD1 3.39Å; S315-I319 WeakPolarHBondContact O-CG1 3.38Å; S315-I319 PolarHBondContact O-N 3.13Å |
| 316 | C | 90.5 | Very high | 89.8 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 5% | 0.054 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.6 | -59.1 | 168.1 | -79.4 | 0 | 0 | 0 | 0 | 110.2 | A312 E313 E314 L318 I319 C320 | A312-C316 WeakPolarHBondContact O-CB 3.3Å; A312-C316 PolarHBondContact O-N 3.47Å; A312-C316 PolarHBondContact O-SG 3.15Å; E313-C316 PolarHBondContact O-N 3.43Å; E314-C316 VanDerWaalsContact C-N 3.32Å; E314-C316 PolarHBondContact O-N 2.75Å; C316-L318 PolarHBondContact O-N 3.29Å; C316-L318 VanDerWaalsContact O-N 3.1Å; C316-I319 CarbonylContact O-C 3.46Å; C316-I319 WeakPolarHBondContact O-CA 3.46Å; C316-I319 WeakPolarHBondContact O-CB 3.33Å; C316-I319 PolarHBondContact O-N 3.27Å; C316-C320 PolarHBondContact O-N 2.61Å; C316-C320 PolarHBondContact O-SG 3.45Å |
| 317 | A | 89.9 | Confident | 88.9 | Confident | 18 Ų | 18 | 41.2 Ų | 41.2 | 15% | 0.149 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -51.3 | -37.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y49 E313 E314 C320 Q321 | Y49-A317 HydrophobicContact CD2-CB 3.91Å; Y49-A317 HydrophobicContact CG-CB 4.34Å; E313-A317 WeakPolarHBondContact O-CB 3.32Å; E313-A317 PolarHBondContact O-N 2.92Å; E314-A317 PolarHBondContact O-N 3.32Å; A317-C320 VanDerWaalsContact CA-SG 3.51Å; A317-C320 PolarHBondContact O-N 2.93Å; A317-Q321 WeakPolarHBondContact O-CG 3.35Å; A317-Q321 PolarHBondContact O-N 3.15Å; A317-Q321 PolarHBondContact O-NE2 3.14Å; A317-Q321 VanDerWaalsContact O-NE2 3.08Å |
| 318 | L | 91.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.9 | -41.4 | 174.1 | -69.8 | 176.1 | 0 | 0 | 0 | 113.2 | L44 I51 L113 E314 C316 Q321 V322 | L44-L318 HydrophobicContact CD1-CD1 4Å; L44-L318 HydrophobicContact CD1-CD2 3.7Å; L44-L318 HydrophobicContact CD1-CG 4.06Å; I51-L318 HydrophobicContact CB-CD2 4.44Å; I51-L318 HydrophobicContact CD1-CD2 3.38Å; I51-L318 HydrophobicContact CG1-CD2 3.77Å; L113-L318 HydrophobicContact CD1-CB 3.75Å; L113-L318 HydrophobicContact CD1-CD1 3.68Å; L113-L318 HydrophobicContact CD1-CG 4.37Å; E314-L318 HydrophobicContact CG-CD1 4.43Å; E314-L318 WeakPolarHBondContact O-CG 3.3Å; E314-L318 PolarHBondContact O-N 2.9Å; C316-L318 PolarHBondContact O-N 3.29Å; C316-L318 VanDerWaalsContact O-N 3.1Å; L318-Q321 PolarHBondContact O-N 2.78Å; L318-V322 WeakPolarHBondContact O-CG2 3.2Å; L318-V322 PolarHBondContact O-N 3.19Å |
| 319 | I | 91.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.4 | -36.9 | 174.7 | -65 | 167 | 0 | 0 | 0 | 110.6 | L113 L118 A140 L153 S315 C316 V322 F323 | L113-I319 HydrophobicContact CD2-CD1 4.38Å; L113-I319 HydrophobicContact CD2-CG1 4.1Å; L118-I319 HydrophobicContact CD1-CD1 4.13Å; L118-I319 HydrophobicContact CD1-CG1 4.28Å; A140-I319 HydrophobicContact CB-CB 4.47Å; A140-I319 HydrophobicContact CB-CD1 4.26Å; A140-I319 HydrophobicContact CB-CG2 3.87Å; L153-I319 HydrophobicContact CD2-CD1 3.8Å; S315-I319 WeakPolarHBondContact O-CD1 3.39Å; S315-I319 WeakPolarHBondContact O-CG1 3.38Å; S315-I319 PolarHBondContact O-N 3.13Å; C316-I319 CarbonylContact O-C 3.46Å; C316-I319 WeakPolarHBondContact O-CA 3.46Å; C316-I319 WeakPolarHBondContact O-CB 3.33Å; C316-I319 PolarHBondContact O-N 3.27Å; I319-V322 PolarHBondContact O-N 3.31Å; I319-F323 HydrophobicContact CG2-CD2 4.14Å; I319-F323 HydrophobicContact CG2-CE1 4.12Å; I319-F323 HydrophobicContact CG2-CE2 3.54Å; I319-F323 HydrophobicContact CG2-CZ 3.53Å; I319-F323 WeakPolarHBondContact O-CD2 3.47Å; I319-F323 WeakPolarHBondContact O-CG 3.19Å; I319-F323 PolarHBondContact O-N 2.97Å |
| 320 | C | 88.1 | Confident | 83.3 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 173.5 | -24.9 | 0 | 0 | 0 | 0 | 111.7 | C199 C316 A317 F323 Q324 | C199-C320 HydrophobicContact CB-CB 3.82Å; C199-C320 WeakPolarHBondContact CB-SG 3.33Å; C199-C320 WeakPolarHBondContact SG-CB 3.26Å; C199-C320 CovalentContact SG-SG 2.01Å; C199-C320 PolarHBondContact SG-SG 2.83Å; C316-C320 PolarHBondContact O-N 2.61Å; C316-C320 PolarHBondContact O-SG 3.45Å; A317-C320 VanDerWaalsContact CA-SG 3.51Å; A317-C320 PolarHBondContact O-N 2.93Å; C320-F323 PolarHBondContact O-N 2.56Å; C320-Q324 WeakPolarHBondContact O-CG 3.49Å; C320-Q324 PolarHBondContact O-N 2.99Å |
| 321 | Q | 88.7 | Confident | 81 | Confident | 18 Ų | 18 | 45 Ų | 45 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 174.7 | -76.2 | 168.9 | 84.3 | 0 | 0 | 111.5 | Y49 L56 A317 L318 F323 Q324 I325 | Y49-Q321 PolarHBondContact O-NE2 3.43Å; L56-Q321 HydrophobicContact CD1-CB 4.3Å; A317-Q321 WeakPolarHBondContact O-CG 3.35Å; A317-Q321 PolarHBondContact O-N 3.15Å; A317-Q321 PolarHBondContact O-NE2 3.14Å; A317-Q321 VanDerWaalsContact O-NE2 3.08Å; L318-Q321 PolarHBondContact O-N 2.78Å; Q321-F323 VanDerWaalsContact C-N 3.34Å; Q321-F323 PolarHBondContact O-N 3.4Å; Q321-Q324 PolarHBondContact O-N 3.15Å; Q321-I325 VanDerWaalsContact O-CG1 3.3Å; Q321-I325 WeakPolarHBondContact O-CG1 3.4Å; Q321-I325 PolarHBondContact O-N 2.99Å |
| 322 | V | 89.3 | Confident | 78.9 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 171.8 | 163.6 | 0 | 0 | 0 | 0 | 111.5 | L56 T134 L318 I319 Q324 I325 I326 | L56-V322 HydrophobicContact CD1-CG2 4.01Å; L56-V322 HydrophobicContact CD2-CG2 4.08Å; L56-V322 HydrophobicContact CG-CG2 4.44Å; T134-V322 HydrophobicContact CG2-CG1 3.6Å; L318-V322 WeakPolarHBondContact O-CG2 3.2Å; L318-V322 PolarHBondContact O-N 3.19Å; I319-V322 PolarHBondContact O-N 3.31Å; V322-Q324 PolarHBondContact O-N 2.74Å; V322-I325 PolarHBondContact O-N 2.73Å; V322-I326 HydrophobicContact CG1-CD1 3.63Å; V322-I326 WeakPolarHBondContact O-CD1 3.48Å; V322-I326 VanDerWaalsContact O-CG1 3.27Å; V322-I326 WeakPolarHBondContact O-CG1 3.17Å; V322-I326 PolarHBondContact O-N 3.16Å; V322-I326 VanDerWaalsContact O-N 3.15Å |
| 323 | F | 87.1 | Confident | 76.4 | Confident | 13 Ų | 13 | 57 Ų | 57 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 174.6 | -64 | -29.1 | 0 | 0 | 0 | 112.9 | I137 L201 I319 C320 Q321 I325 I326 Y327 | I137-F323 HydrophobicContact CB-CE1 4Å; I137-F323 HydrophobicContact CB-CZ 3.85Å; I137-F323 HydrophobicContact CG2-CE1 4.4Å; I137-F323 HydrophobicContact CG2-CZ 3.75Å; L201-F323 HydrophobicContact CD1-CB 4.19Å; I319-F323 HydrophobicContact CG2-CD2 4.14Å; I319-F323 HydrophobicContact CG2-CE1 4.12Å; I319-F323 HydrophobicContact CG2-CE2 3.54Å; I319-F323 HydrophobicContact CG2-CZ 3.53Å; I319-F323 WeakPolarHBondContact O-CD2 3.47Å; I319-F323 WeakPolarHBondContact O-CG 3.19Å; I319-F323 PolarHBondContact O-N 2.97Å; C320-F323 PolarHBondContact O-N 2.56Å; Q321-F323 VanDerWaalsContact C-N 3.34Å; Q321-F323 PolarHBondContact O-N 3.4Å; F323-I325 VanDerWaalsContact C-N 3.29Å; F323-I325 PolarHBondContact O-N 2.95Å; F323-I326 PolarHBondContact O-N 3.12Å; F323-Y327 HydrophobicContact CB-CD2 4.11Å; F323-Y327 HydrophobicContact CD1-CD2 4.45Å; F323-Y327 HydrophobicContact CD1-CE2 4.07Å; F323-Y327 WeakPolarHBondContact O-CB 3.28Å; F323-Y327 WeakPolarHBondContact O-CD2 3.35Å; F323-Y327 PolarHBondContact O-N 3.42Å |
| 324 | Q | 85.6 | Confident | 74 | Confident | 123 Ų | 123 | 59.5 Ų | 59.5 | 58% | 0.575 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.2 | -33.3 | 174.6 | -71.7 | 167.2 | 2.8 | 0 | 0 | 112.4 | C320 Q321 V322 G328 | C320-Q324 WeakPolarHBondContact O-CG 3.49Å; C320-Q324 PolarHBondContact O-N 2.99Å; Q321-Q324 PolarHBondContact O-N 3.15Å; V322-Q324 PolarHBondContact O-N 2.74Å; Q324-G328 VanDerWaalsContact O-CA 3.28Å; Q324-G328 WeakPolarHBondContact O-CA 3.47Å; Q324-G328 PolarHBondContact O-N 2.89Å |
| 325 | I | 83.8 | Confident | 71.6 | Confident | 21 Ų | 21 | 63.4 Ų | 63.4 | 11% | 0.108 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72 | -29.7 | 175.5 | -66.6 | 163.4 | 0 | 0 | 0 | 112.1 | P53 L56 L57 A115 Q321 V322 F323 | P53-I325 HydrophobicContact CB-CD1 3.73Å; P53-I325 HydrophobicContact CB-CG1 4.04Å; P53-I325 HydrophobicContact CG-CD1 4.4Å; L56-I325 HydrophobicContact CB-CD1 4.03Å; L56-I325 HydrophobicContact CD1-CD1 3.81Å; L57-I325 HydrophobicContact CD1-CG2 4.36Å; L57-I325 HydrophobicContact CD2-CG2 3.71Å; L57-I325 HydrophobicContact CG-CG2 4.08Å; A115-I325 HydrophobicContact CB-CG2 4.42Å; Q321-I325 VanDerWaalsContact O-CG1 3.3Å; Q321-I325 WeakPolarHBondContact O-CG1 3.4Å; Q321-I325 PolarHBondContact O-N 2.99Å; V322-I325 PolarHBondContact O-N 2.73Å; F323-I325 VanDerWaalsContact C-N 3.29Å; F323-I325 PolarHBondContact O-N 2.95Å |
| 326 | I | 82.1 | Confident | 68.9 | Low | 34 Ų | 34 | 71.4 Ų | 71.4 | 17% | 0.174 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -91.9 | -33.6 | -176.6 | -62.2 | 161.8 | 0 | 0 | 0 | 112.5 | A115 T134 V322 F323 I332 | A115-I326 WeakPolarHBondContact O-CD1 3.09Å; T134-I326 HydrophobicContact CG2-CD1 4.09Å; T134-I326 WeakPolarHBondContact OG1-CD1 3.34Å; V322-I326 HydrophobicContact CG1-CD1 3.63Å; V322-I326 WeakPolarHBondContact O-CD1 3.48Å; V322-I326 VanDerWaalsContact O-CG1 3.27Å; V322-I326 WeakPolarHBondContact O-CG1 3.17Å; V322-I326 PolarHBondContact O-N 3.16Å; V322-I326 VanDerWaalsContact O-N 3.15Å; F323-I326 PolarHBondContact O-N 3.12Å; I326-I332 WeakPolarHBondContact O-CD1 3.47Å |
| 327 | Y | 74.3 | Confident | 66.2 | Low | 125 Ų | 125 | 81.7 Ų | 81.7 | 49% | 0.49 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -119.4 | -1.4 | -171.6 | -57 | -69.8 | 0 | 0 | 0 | 113.8 | H135 F323 | H135-Y327 WeakPolarHBondContact CA-OH 3.4Å; F323-Y327 HydrophobicContact CB-CD2 4.11Å; F323-Y327 HydrophobicContact CD1-CD2 4.45Å; F323-Y327 HydrophobicContact CD1-CE2 4.07Å; F323-Y327 WeakPolarHBondContact O-CB 3.28Å; F323-Y327 WeakPolarHBondContact O-CD2 3.35Å; F323-Y327 PolarHBondContact O-N 3.42Å |
| 328 | G | 63.7 | Low | 63.5 | Low | 35 Ų | 35 | 83.5 Ų | 83.5 | 36% | 0.361 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -84.2 | 128.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q324 | Q324-G328 VanDerWaalsContact O-CA 3.28Å; Q324-G328 WeakPolarHBondContact O-CA 3.47Å; Q324-G328 PolarHBondContact O-N 2.89Å |
| 329 | D | 48.5 | Very low | 60.8 | Low | 157 Ų | 157 | 87.5 Ų | 87.5 | 84% | 0.84 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 153 | -176.1 | -75.4 | -60.8 | 0 | 0 | 0 | 114.1 | ||
| 330 | Q | 45.6 | Very low | 58 | Low | 202 Ų | 202 | 96.7 Ų | 96.7 | 94% | 0.944 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 19.7 | 166.3 | -45.7 | -172.3 | 11.2 | 0 | 0 | 119.8 | ||
| 331 | S | 44.3 | Very low | 55.4 | Low | 78 Ų | 78 | 101.8 Ų | 101.8 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | trans | -129.5 | -4 | 165.5 | 65.5 | 0 | 0 | 0 | 0 | 117.5 | E333 | S331-E333 PolarHBondContact O-N 2.96Å; S331-E333 VanDerWaalsContact O-N 3.16Å | ||
| 332 | I | 46.6 | Very low | 52.8 | Low | 97 Ų | 97 | 110.1 Ų | 110.1 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | trans | -90.8 | 52.7 | 177 | -47.9 | -176.9 | 0 | 0 | 0 | 111.2 | I326 V335 | I326-I332 WeakPolarHBondContact O-CD1 3.47Å; I332-V335 HydrophobicContact CG2-CB 4.24Å; I332-V335 HydrophobicContact CG2-CG2 3.9Å | ||
| 333 | E | 38.7 | Very low | 50.3 | Low | 182 Ų | 182 | 115.8 Ų | 115.8 | 85% | 0.85 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -90.6 | 117.5 | 147.6 | -72.4 | -161.4 | 164.3 | 0 | 0 | 107.3 | S331 | S331-E333 PolarHBondContact O-N 2.96Å; S331-E333 VanDerWaalsContact O-N 3.16Å |
| 334 | C | 39.8 | Very low | 47.6 | Very low | 94 Ų | 94 | 118.9 Ų | 118.9 | 64% | 0.635 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 96.7 | 25.7 | 172.3 | 94.8 | 0 | 0 | 0 | 0 | 121.9 | D336 R337 | C334-D336 VanDerWaalsContact C-N 3.29Å; C334-R337 HydrophobicContact CB-CB 3.65Å |
| 335 | V | 41.8 | Very low | 45.3 | Very low | 104 Ų | 104 | 117.6 Ų | 117.6 | 63% | 0.63 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -65.5 | -39.9 | 147.6 | 174 | 0 | 0 | 0 | 0 | 109.9 | I332 R337 | I332-V335 HydrophobicContact CG2-CB 4.24Å; I332-V335 HydrophobicContact CG2-CG2 3.9Å; V335-R337 VanDerWaalsContact C-N 3.35Å; V335-R337 PolarHBondContact O-N 2.83Å |
| 336 | D | 37.1 | Very low | 43.3 | Very low | 171 Ų | 171 | 120.5 Ų | 120.5 | 91% | 0.914 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 4.5 | -175.6 | -118.6 | 0.3 | 0 | 0 | 0 | 115.3 | C334 A338 | C334-D336 VanDerWaalsContact C-N 3.29Å; D336-A338 VanDerWaalsContact C-N 3.31Å |
| 337 | R | 32.5 | Very low | 41.1 | Very low | 223 Ų | 223 | 127.1 Ų | 127.1 | 84% | 0.842 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 4 | 176.8 | -150.8 | 179.4 | 179 | 89.2 | 2.1 | 113 | C334 V335 | C334-R337 HydrophobicContact CB-CB 3.65Å; V335-R337 VanDerWaalsContact C-N 3.35Å; V335-R337 PolarHBondContact O-N 2.83Å |
| 338 | A | 34.8 | Very low | 39.9 | Very low | 56 Ų | 56 | 122.3 Ų | 122.3 | 46% | 0.463 | 66% | 0.657 | S | S | . | * | trans | -134.3 | 90.7 | -176 | 0 | 0 | 0 | 0 | 0 | 111.2 | D336 Y340 | D336-A338 VanDerWaalsContact C-N 3.31Å; A338-Y340 HydrophobicContact CB-CD2 4.02Å; A338-Y340 PolarHBondContact O-N 3.22Å | ||
| 339 | G | 33.9 | Very low | 38.8 | Very low | 85 Ų | 85 | 125.3 Ų | 125.3 | 88% | 0.876 | 67% | 0.67 | S | S | * | * | trans | -67.7 | 31.6 | 164 | 0 | 0 | 0 | 0 | 0 | 113.8 | H341 | G339-H341 PolarHBondContact O-N 2.93Š| ||
| 340 | Y | 32.2 | Very low | 38.6 | Very low | 195 Ų | 195 | 121.7 Ų | 121.7 | 77% | 0.765 | 64% | 0.644 | S | S | * | * | trans | -92.1 | 90.3 | -175.6 | -79.3 | -89.5 | 0 | 0 | 0 | 110.5 | A338 | A338-Y340 HydrophobicContact CB-CD2 4.02Å; A338-Y340 PolarHBondContact O-N 3.22Å | ||
| 341 | H | 33.8 | Very low | 38.3 | Very low | 124 Ų | 124 | 116 Ų | 116 | 57% | 0.574 | 62% | 0.62 | S | S | * | * | trans | 53.6 | 78.7 | 150 | -58.7 | -75.2 | 0 | 0 | 0 | 117.5 | G339 T343 S344 | G339-H341 PolarHBondContact O-N 2.93Å; H341-T343 PolarHBondContact O-N 3.06Å; H341-S344 PolarHBondContact O-N 3.15Å; H341-S344 VanDerWaalsContact O-N 3.16Å | ||
| 342 | Y | 34.6 | Very low | 37.9 | Very low | 192 Ų | 192 | 116.1 Ų | 116.1 | 75% | 0.753 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -10.1 | 160.2 | -95.7 | -92.2 | 0 | 0 | 0 | 114.5 | ||
| 343 | T | 34.8 | Very low | 37.3 | Very low | 121 Ų | 121 | 116 Ų | 116 | 74% | 0.742 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -15 | 177.3 | 51.6 | 0 | 0 | 0 | 0 | 114.6 | H341 | H341-T343 PolarHBondContact O-N 3.06Š|
| 344 | S | 30.4 | Very low | 37.3 | Very low | 77 Ų | 77 | 118.8 Ų | 118.8 | 54% | 0.538 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -96.6 | 118.6 | -175.4 | -59 | 0 | 0 | 0 | 0 | 111.3 | H341 | H341-S344 PolarHBondContact O-N 3.15Å; H341-S344 VanDerWaalsContact O-N 3.16Å |
| 345 | T | 38.3 | Very low | 37.3 | Very low | 96 Ų | 96 | 119.6 Ų | 119.6 | 59% | 0.589 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 146.8 | 154 | 40.8 | 0 | 0 | 0 | 0 | 108.8 | E347 | T345-E347 PolarHBondContact O-N 3.13Š|
| 346 | P | 41.8 | Very low | 36.9 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 54% | 0.539 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -60 | 128 | 175.7 | 25.3 | -33.4 | 0 | 0 | 0 | 109 | R348 | P346-R348 PolarHBondContact O-N 3.13Š|
| 347 | E | 35.7 | Very low | 36.5 | Very low | 173 Ų | 173 | 118.7 Ų | 118.7 | 81% | 0.808 | 63% | 0.634 | S | S | * | * | trans | -61.2 | 110.7 | -178.4 | -71.3 | -162.2 | 151.8 | 0 | 0 | 109.9 | T345 P349 | T345-E347 PolarHBondContact O-N 3.13Å; E347-P349 VanDerWaalsContact O-CD 3.29Å; E347-P349 WeakPolarHBondContact O-CD 3.47Å | ||
| 348 | R | 50 | Low | 36.6 | Very low | 24 Ų | 24 | 113.4 Ų | 113.4 | 9% | 0.091 | 63% | 0.628 | C | S | . | * | trans | -90.6 | 102.9 | 174 | -72.5 | 173.8 | 170.1 | -162.3 | -6.4 | 107.4 | P346 W350 L351 C352 | P346-R348 PolarHBondContact O-N 3.13Å; R348-W350 HydrophobicContact CB-CD2 4.37Å; R348-W350 HydrophobicContact CB-CZ2 4.14Å; R348-W350 HydrophobicContact CG-CZ2 4.07Å; R348-W350 PolarHBondContact O-N 3.05Å; R348-L351 HydrophobicContact CB-CB 4.16Å; R348-L351 HydrophobicContact CB-CD1 3.88Å; R348-L351 HydrophobicContact CG-CD1 4.36Å; R348-L351 WeakPolarHBondContact O-CB 3.32Å; R348-L351 PolarHBondContact O-N 3.05Å; R348-C352 PolarHBondContact O-N 3.37Å | ||
| 349 | P | 39.8 | Very low | 36.6 | Very low | 97 Ų | 97 | 122.5 Ų | 122.5 | 63% | 0.63 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.4 | -27.3 | -167.8 | -24.4 | 36.2 | 0 | 0 | 0 | 113.5 | E347 S353 | E347-P349 VanDerWaalsContact O-CD 3.29Å; E347-P349 WeakPolarHBondContact O-CD 3.47Å; P349-S353 PolarHBondContact O-OG 3.45Å |
| 350 | W | 44.9 | Very low | 36.6 | Very low | 81 Ų | 81 | 124.2 Ų | 124.2 | 31% | 0.307 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.6 | -22.3 | 176.4 | 50 | -97.7 | 0 | 0 | 0 | 114 | Y60 E126 R348 | Y60-W350 PolarHBondContact OH-NE1 3.49Å; E126-W350 VanDerWaalsContact OE1-CH2 3.3Å; E126-W350 WeakPolarHBondContact OE1-CH2 3.41Å; E126-W350 WeakPolarHBondContact OE1-CZ3 3.46Å; E126-W350 WeakPolarHBondContact OE2-CZ3 3.33Å; R348-W350 HydrophobicContact CB-CD2 4.37Å; R348-W350 HydrophobicContact CB-CZ2 4.14Å; R348-W350 HydrophobicContact CG-CZ2 4.07Å; R348-W350 PolarHBondContact O-N 3.05Å |
| 351 | L | 37.7 | Very low | 36.6 | Very low | 83 Ų | 83 | 120.2 Ų | 120.2 | 44% | 0.435 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -80.6 | -41.3 | 173 | -97.8 | 151.4 | 0 | 0 | 0 | 112 | R348 S353 R354 | R348-L351 HydrophobicContact CB-CB 4.16Å; R348-L351 HydrophobicContact CB-CD1 3.88Å; R348-L351 HydrophobicContact CG-CD1 4.36Å; R348-L351 WeakPolarHBondContact O-CB 3.32Å; R348-L351 PolarHBondContact O-N 3.05Å; L351-S353 PolarHBondContact O-N 2.93Å; L351-S353 VanDerWaalsContact O-N 3.12Å; L351-R354 PolarHBondContact O-N 2.82Å |
| 352 | C | 35.7 | Very low | 36.5 | Very low | 80 Ų | 80 | 122.6 Ų | 122.6 | 54% | 0.541 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -62 | -20.9 | 176.8 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | R348 R354 | R348-C352 PolarHBondContact O-N 3.37Å; C352-R354 PolarHBondContact O-N 3.16Å |
| 353 | S | 35.8 | Very low | 36.3 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 67% | 0.671 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -7 | -177.6 | -64.9 | 0 | 0 | 0 | 0 | 115.2 | P349 L351 | P349-S353 PolarHBondContact O-OG 3.45Å; L351-S353 PolarHBondContact O-N 2.93Å; L351-S353 VanDerWaalsContact O-N 3.12Å |
| 354 | R | 38 | Very low | 36 | Very low | 239 Ų | 239 | 126 Ų | 126 | 90% | 0.902 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -14.7 | -176.4 | -128.8 | 179.3 | -149.2 | -151.4 | 7.9 | 115.9 | L351 C352 | L351-R354 PolarHBondContact O-N 2.82Å; C352-R354 PolarHBondContact O-N 3.16Å |
| 355 | T | 40.3 | Very low | 36.1 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 69% | 0.687 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -107.8 | -17.9 | -164.3 | -46.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 356 | M | 31.8 | Very low | 35.6 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 81% | 0.808 | 69% | 0.694 | S | S | * | * | trans | -128 | 71.2 | -177.1 | -72.2 | -65.6 | 163.5 | 0 | 0 | 112.7 | P358 | M356-P358 WeakPolarHBondContact O-CD 3.15Š| ||
| 357 | A | 30.1 | Very low | 35 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | trans | -76 | 117.1 | 163 | 0 | 0 | 0 | 0 | 0 | 109.7 | R359 | A357-R359 PolarHBondContact O-N 3.03Š| ||
| 358 | P | 34.8 | Very low | 34.7 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -67.6 | 119.6 | 179.5 | -18.4 | 32.4 | 0 | 0 | 0 | 110.5 | M356 T360 | M356-P358 WeakPolarHBondContact O-CD 3.15Å; P358-T360 VanDerWaalsContact C-N 3.3Å; P358-T360 PolarHBondContact O-N 3.38Å | ||
| 359 | R | 34.5 | Very low | 33.7 | Very low | 247 Ų | 247 | 137.6 Ų | 137.6 | 93% | 0.932 | 74% | 0.744 | S | S | * | * | trans | -72.7 | 83.5 | 171.8 | -71.6 | -178.5 | 176.2 | 169.4 | -0.9 | 109.9 | A357 P361 | A357-R359 PolarHBondContact O-N 3.03Å; R359-P361 WeakPolarHBondContact O-CD 3.48Å | ||
| 360 | T | 33.3 | Very low | 33.6 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 123 | 171.9 | 46.1 | 0 | 0 | 0 | 0 | 109.9 | P358 L362 | P358-T360 VanDerWaalsContact C-N 3.3Å; P358-T360 PolarHBondContact O-N 3.38Å; T360-L362 PolarHBondContact O-N 3.02Å |
| 361 | P | 31.5 | Very low | 32.9 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 124.8 | -179.8 | 28.6 | -33 | 0 | 0 | 0 | 110.6 | R359 K363 | R359-P361 WeakPolarHBondContact O-CD 3.48Å; P361-K363 PolarHBondContact O-N 2.73Å |
| 362 | L | 32.4 | Very low | 32.7 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56 | 129.6 | 170 | -74 | 162.3 | 0 | 0 | 0 | 110.4 | T360 | T360-L362 PolarHBondContact O-N 3.02Š|
| 363 | K | 30.6 | Very low | 32.4 | Very low | 196 Ų | 196 | 151.3 Ų | 151.3 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | -123 | 143.5 | 162.8 | -75.9 | -169.2 | 174.6 | -176.9 | 0 | 109.6 | P361 | P361-K363 PolarHBondContact O-N 2.73Š| ||
| 364 | H | 28.8 | Very low | 32.1 | Very low | 187 Ų | 187 | 155 Ų | 155 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | -76.5 | 158.6 | -165.5 | -105.7 | -113.2 | 0 | 0 | 0 | 114.5 | ||||
| 365 | V | 31.4 | Very low | 31.8 | Very low | 124 Ų | 124 | 149 Ų | 149 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -58 | 139.1 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 112.8 | A367 | V365-A367 HydrophobicContact CG1-CB 4.5Š| ||
| 366 | T | 28.3 | Very low | 31.3 | Very low | 145 Ų | 145 | 148 Ų | 148 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -127.4 | 132.3 | 143.5 | -53.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 367 | A | 30.7 | Very low | 31.9 | Very low | 91 Ų | 91 | 145.6 Ų | 145.6 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -99 | 143.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V365 | V365-A367 HydrophobicContact CG1-CB 4.5Š| ||
| 368 | A | 27.9 | Very low | 32.1 | Very low | 103 Ų | 103 | 147.7 Ų | 147.7 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -135.7 | 152.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 369 | R | 29.5 | Very low | 31.9 | Very low | 235 Ų | 235 | 147.5 Ų | 147.5 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -85.4 | 156.2 | -171 | -87 | 177.4 | 166.5 | 170.8 | -5.5 | 113.3 | ||||
| 370 | P | 38.4 | Very low | 31.8 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -80.7 | 155 | 179 | 34.3 | -36.2 | 0 | 0 | 0 | 112.5 | ||||
| 371 | H | 30.5 | Very low | 31.7 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | -126.7 | 147.7 | 161.1 | -76.5 | -84.4 | 0 | 0 | 0 | 110.1 | ||||
| 372 | L | 31.9 | Very low | 31.6 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -90.1 | -170.3 | -177.8 | -78 | 161 | 0 | 0 | 0 | 111.5 | ||||
| 373 | L | 31 | Very low | 31.6 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | 87.8 | 135.4 | 178.2 | -50.8 | 177.1 | 0 | 0 | 0 | 113.3 | ||||
| 374 | F | 27.8 | Very low | 31.7 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | cis | -158.6 | 163.8 | -7.7 | -153.2 | -132.5 | 0 | 0 | 0 | 111.4 | ||||
| 375 | T | 31.8 | Very low | 31.7 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | 49.4 | 125.2 | 158 | 39 | 0 | 0 | 0 | 0 | 122 | ||||
| 376 | A | 31 | Very low | 31.5 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | -84.9 | 179.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 377 | P | 44.9 | Very low | 31.5 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | -149 | 164 | 74.6 | 41.6 | -23.5 | 0 | 0 | 0 | 117.5 | |||||
| 378 | T | 32.4 | Very low | 31.3 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | trans | 13.1 | 126.9 | 152.1 | 57.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 379 | A | 31.8 | Very low | 31.2 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | -144.6 | 137.5 | 124.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 380 | A | 31.6 | Very low | 30.9 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -121.4 | 133.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 381 | A | 31.2 | Very low | 30.4 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -144.9 | 92.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 382 | A | 29.8 | Very low | 30.2 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -98.5 | 113.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 383 | T | 32.6 | Very low | 29.8 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -109.3 | 88.1 | 178.6 | 35.4 | 0 | 0 | 0 | 0 | 111 | A385 | T383-A385 PolarHBondContact O-N 3.45Å; T383-A385 VanDerWaalsContact O-N 3.16Å | ||
| 384 | T | 31.6 | Very low | 29.7 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -72.8 | 99.5 | 169.8 | 49.1 | 0 | 0 | 0 | 0 | 110.5 | V386 | T384-V386 PolarHBondContact O-N 3.01Š| ||
| 385 | A | 29.5 | Very low | 29.5 | Very low | 82 Ų | 82 | 135.4 Ų | 135.4 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -85.1 | 89.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | T383 W387 | T383-A385 PolarHBondContact O-N 3.45Å; T383-A385 VanDerWaalsContact O-N 3.16Å; A385-W387 PolarHBondContact O-N 2.68Å | ||
| 386 | V | 27.5 | Very low | 29.2 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72 | 118 | 167.6 | 177 | 0 | 0 | 0 | 0 | 108.6 | T384 | T384-V386 PolarHBondContact O-N 3.01Š|
| 387 | W | 28.3 | Very low | 28.8 | Very low | 235 Ų | 235 | 142 Ų | 142 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 126.4 | 170.1 | -83.5 | 69.3 | 0 | 0 | 0 | 110.2 | A385 | A385-W387 PolarHBondContact O-N 2.68Š|
| 388 | A | 27 | Very low | 27.9 | Very low | 92 Ų | 92 | 148.6 Ų | 148.6 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 140.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S390 | A388-S390 PolarHBondContact O-N 3.2Š|
| 389 | W | 24.4 | Very low | 27.6 | Very low | 257 Ų | 257 | 148.1 Ų | 148.1 | 97% | 0.973 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65 | 121 | 164.4 | -103.5 | -27.3 | 0 | 0 | 0 | 109.8 | ||
| 390 | S | 24.2 | Very low | 27.2 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 65% | 0.65 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -101 | 116.9 | 162.9 | -171.6 | 0 | 0 | 0 | 0 | 109.3 | A388 Y392 | A388-S390 PolarHBondContact O-N 3.2Å; S390-Y392 PolarHBondContact O-N 3.3Å |
| 391 | S | 27.2 | Very low | 27 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -86.3 | 93.2 | -171.8 | -60 | 0 | 0 | 0 | 0 | 112.3 | R393 | S391-R393 PolarHBondContact O-N 3.29Š| ||
| 392 | Y | 26.1 | Very low | 26.6 | Very low | 204 Ų | 204 | 148 Ų | 148 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -79.1 | 100.2 | 167.8 | -79.6 | -79.8 | 0 | 0 | 0 | 111.3 | S390 I394 | S390-Y392 PolarHBondContact O-N 3.3Å; Y392-I394 PolarHBondContact O-N 3.07Å | ||
| 393 | R | 25 | Very low | 26.6 | Very low | 234 Ų | 234 | 154.6 Ų | 154.6 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -69.8 | 119.9 | 161.3 | -73.7 | -174.7 | 178.4 | -174.2 | 1 | 109 | S391 | S391-R393 PolarHBondContact O-N 3.29Š| ||
| 394 | I | 27.8 | Very low | 26.2 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -114.1 | 104 | 159.4 | -63.7 | 179.6 | 0 | 0 | 0 | 107.5 | Y392 | Y392-I394 PolarHBondContact O-N 3.07Š| ||
| 395 | T | 23.9 | Very low | 26.3 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | trans | -83.2 | 119.2 | 169.3 | 47.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 396 | W | 25.1 | Very low | 26.1 | Very low | 242 Ų | 242 | 153.1 Ų | 153.1 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | -106.6 | 121.3 | 166 | -106.2 | 58.7 | 0 | 0 | 0 | 110.8 | ||||
| 397 | S | 23.9 | Very low | 26 | Very low | 102 Ų | 102 | 158.5 Ų | 158.5 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | trans | -87.1 | 134 | -174.7 | 50.2 | 0 | 0 | 0 | 0 | 111.9 | C399 | S397-C399 PolarHBondContact O-N 3.4Å; S397-C399 VanDerWaalsContact O-N 3.12Å | ||
| 398 | R | 24.9 | Very low | 25.9 | Very low | 252 Ų | 252 | 153 Ų | 153 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | trans | -59.1 | 104.5 | 175.8 | 178.7 | -171 | -175.1 | -177.2 | 2.9 | 112.4 | ||||
| 399 | C | 26.1 | Very low | 25.8 | Very low | 125 Ų | 125 | 153.4 Ų | 153.4 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -119.2 | 115.8 | 160.4 | -75.7 | 0 | 0 | 0 | 0 | 108.8 | S397 | S397-C399 PolarHBondContact O-N 3.4Å; S397-C399 VanDerWaalsContact O-N 3.12Å | ||
| 400 | G | 23.8 | Very low | 25.9 | Very low | 74 Ų | 74 | 148 Ų | 148 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | -117.8 | 134.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 401 | V | 27 | Very low | 26.1 | Very low | 127 Ų | 127 | 151.8 Ų | 151.8 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -133.2 | 122.8 | 169.7 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 402 | S | 24.1 | Very low | 26 | Very low | 109 Ų | 109 | 154.6 Ų | 154.6 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -89.4 | 138.3 | 179.3 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 403 | W | 28.6 | Very low | 25.9 | Very low | 238 Ų | 238 | 150.7 Ų | 150.7 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -132.9 | 115.9 | 162 | -81.8 | 92.5 | 0 | 0 | 0 | 111.1 | ||||
| 404 | G | 24.2 | Very low | 26 | Very low | 59 Ų | 59 | 144.2 Ų | 144.2 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | trans | -89.8 | 163.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 405 | P | 34.1 | Very low | 25.9 | Very low | 132 Ų | 132 | 144 Ų | 144 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -81.1 | 153.8 | -171.6 | 33.1 | -36.2 | 0 | 0 | 0 | 113.4 | ||||
| 406 | S | 24.7 | Very low | 26 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -145.3 | 148 | 163.5 | -81.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 407 | R | 26.6 | Very low | 26.1 | Very low | 248 Ų | 248 | 136 Ų | 136 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | trans | -99.9 | 143.2 | -177.2 | -55.9 | 172.2 | 173 | -164.6 | -2.4 | 110.2 | ||||
| 408 | S | 24.6 | Very low | 26.5 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | -176.1 | 147.1 | 120.4 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 409 | S | 26.3 | Very low | 26.6 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -58.8 | 164.7 | -179.2 | -32.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 410 | N | 26.2 | Very low | 26.7 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | 67.9 | 120.8 | 150.7 | -54.8 | -13.5 | 0 | 0 | 0 | 119.6 | ||||
| 411 | L | 27.5 | Very low | 26.8 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | -164.4 | 172.6 | 87.1 | -126.5 | 100.1 | 0 | 0 | 0 | 113.2 | |||||
| 412 | H | 25.9 | Very low | 26.8 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 78% | 0.782 | 82% | 0.822 | S | S | * | * | trans | -83.7 | 147.1 | 177.3 | -108.2 | -111.2 | 0 | 0 | 0 | 113 | ||||
| 413 | C | 24.5 | Very low | 27.5 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | 164.4 | 151.4 | 136.3 | -94.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 414 | C | 25.9 | Very low | 27.5 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 66% | 0.655 | 81% | 0.812 | S | S | * | * | cis | 166.4 | 119.8 | -23.9 | -103.7 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 415 | C | 25.9 | Very low | 27.8 | Very low | 139 Ų | 139 | 139 Ų | 139 | 94% | 0.939 | 83% | 0.827 | S | S | * | * | trans | 57.8 | 136 | 161.7 | -60.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 416 | G | 26.4 | Very low | 27.7 | Very low | 75 Ų | 75 | 139.1 Ų | 139.1 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | 172.5 | 63.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 417 | S | 27.6 | Very low | 28.1 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | -95.6 | 103.4 | -173 | -58.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 418 | T | 30.7 | Very low | 28.4 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 91% | 0.908 | 81% | 0.812 | S | S | * | * | trans | -165.6 | 150.7 | 158.3 | 22.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 419 | G | 27.1 | Very low | 28.6 | Very low | 60 Ų | 60 | 136 Ų | 136 | 62% | 0.619 | 81% | 0.814 | S | S | * | * | cis | 158 | 103.5 | -9.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 420 | W | 28.1 | Very low | 28.8 | Very low | 271 Ų | 271 | 135.7 Ų | 135.7 | 100% | 1.027 | 82% | 0.817 | S | S | * | * | trans | 64.9 | 143.6 | 169.1 | -66.9 | 64 | 0 | 0 | 0 | 117.9 | ||||
| 421 | G | 27 | Very low | 29.3 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 79% | 0.794 | 85% | 0.847 | S | S | * | * | trans | 150.2 | 51.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 422 | C | 26.8 | Very low | 29.4 | Very low | 132 Ų | 132 | 137 Ų | 137 | 89% | 0.892 | 84% | 0.844 | S | S | * | * | trans | -81.3 | 138.8 | 155.9 | -67.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 423 | P | 38.8 | Very low | 29.6 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 75% | 0.753 | 85% | 0.848 | S | S | * | * | -150.6 | 163.4 | 104.3 | 38.8 | -22.4 | 0 | 0 | 0 | 117.1 | |||||
| 424 | S | 28.6 | Very low | 29.9 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 85% | 0.849 | S | S | * | * | trans | 53 | 87.8 | 145 | -58 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 425 | R | 30.1 | Very low | 30.1 | Very low | 244 Ų | 244 | 138.4 Ų | 138.4 | 92% | 0.921 | 86% | 0.86 | S | S | * | * | 12.3 | 108.3 | 110.9 | -169.1 | -171.1 | -154 | -173.2 | 8 | 116.2 | |||||
| 426 | T | 33.2 | Very low | 30.4 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 82% | 0.816 | 86% | 0.855 | S | S | * | * | trans | -126.5 | 142.7 | 164.4 | -60.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 427 | I | 32.9 | Very low | 30.7 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 74% | 0.738 | 86% | 0.861 | S | S | * | * | trans | -97.9 | 140 | 179.5 | -64.9 | 166.8 | 0 | 0 | 0 | 109.1 | ||||
| 428 | A | 32.4 | Very low | 30.9 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 83% | 0.826 | 86% | 0.86 | S | S | * | * | trans | -132.6 | 138 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 429 | Q | 29.1 | Very low | 30.9 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 88% | 0.883 | 86% | 0.857 | S | S | * | * | trans | -98.2 | 166.9 | 178.5 | -75.2 | -176.9 | -94.3 | 0 | 0 | 112 | ||||
| 430 | A | 30.9 | Very low | 31.2 | Very low | 93 Ų | 93 | 150.5 Ų | 150.5 | 77% | 0.769 | 88% | 0.876 | S | S | * | * | trans | -46 | 142.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 431 | C | 36.8 | Very low | 31.5 | Very low | 206 Ų | 206 | 139.5 Ų | 139.5 | 100% | 1.392 | 86% | 0.863 | S | S | * | * | -130.1 | 0 | 114.8 | -78.1 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 431 of 431 residues in 413.2 ms
(Link to these results)