| 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 | 38.2 | Very low | 37.8 | Very low | 229 Ų | 229 | 133.3 Ų | 133.3 | 100% | 1.128 | 79% | 0.791 | S | S | * | * | 0 | 68.8 | 0 | -59.8 | 172.5 | -176.8 | 0 | 0 | 106.3 | |||||
| 2 | S | 36.4 | Very low | 37.1 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | cis | 76.8 | 137.4 | 45.1 | -49.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 3 | T | 42.1 | Very low | 36.7 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 66% | 0.663 | 79% | 0.787 | S | S | * | * | cis | -166.9 | -171.2 | -14.6 | 24.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 4 | E | 39.4 | Very low | 35.8 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | cis | -152.4 | 135.7 | 2.4 | -124.5 | 114.4 | -166.7 | 0 | 0 | 105.7 | ||||
| 5 | V | 40.9 | Very low | 36.9 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | 78.7 | 136.5 | 90.1 | 166.9 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 6 | E | 34.2 | Very low | 36.2 | Very low | 172 Ų | 172 | 128.2 Ų | 128.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 94.4 | 172.2 | 159.2 | -143.2 | 136.7 | 122 | 0 | 0 | 122.7 | ||||
| 7 | N | 34 | Very low | 35.8 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -92.2 | 157.6 | -146.4 | -62.5 | -55 | 0 | 0 | 0 | 116.3 | ||||
| 8 | G | 30.6 | Very low | 35.8 | Very low | 67 Ų | 67 | 126.6 Ų | 126.6 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | 116.5 | 120.8 | 111.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 9 | V | 29.4 | Very low | 35.7 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | 72.5 | 146.1 | 146.9 | 179.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 10 | P | 59.9 | Low | 35.2 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -119.4 | 171.4 | -147.2 | 42.7 | -32.8 | 0 | 0 | 0 | 116 | ||||
| 11 | A | 30.8 | Very low | 34.9 | Very low | 87 Ų | 87 | 125.3 Ų | 125.3 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | 153.5 | 149.4 | 121.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 12 | T | 29.7 | Very low | 34.6 | Very low | 134 Ų | 134 | 119.5 Ų | 119.5 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 79.1 | 116.1 | 154.2 | -6.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 13 | A | 31.2 | Very low | 34.4 | Very low | 86 Ų | 86 | 120 Ų | 120 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 55.5 | 106.4 | 140.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 14 | D | 24.5 | Very low | 33.7 | Very low | 157 Ų | 157 | 122.4 Ų | 122.4 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | 64.2 | 163.1 | 114.7 | -139.8 | 37.1 | 0 | 0 | 0 | 120.4 | |||||
| 15 | P | 52 | Low | 33.4 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | cis | -119.1 | 168.8 | -29.6 | 14.2 | 8.4 | 0 | 0 | 0 | 113 | ||||
| 16 | S | 25.9 | Very low | 33.5 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | 163.3 | 143 | 133.3 | -176.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 17 | S | 29.6 | Very low | 34.1 | Very low | 104 Ų | 104 | 116.9 Ų | 116.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 72.9 | 155.8 | 158.6 | -61.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 18 | P | 35.1 | Very low | 34.4 | Very low | 123 Ų | 123 | 115.2 Ų | 115.2 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -97 | 144.1 | -150.6 | 35.6 | -34.9 | 0 | 0 | 0 | 115.5 | ||||
| 19 | P | 34.3 | Very low | 34.4 | Very low | 125 Ų | 125 | 117.4 Ų | 117.4 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -96.2 | 161.5 | 174.2 | 37.2 | -34.5 | 0 | 0 | 0 | 113.7 | ||||
| 20 | T | 25 | Very low | 34.9 | Very low | 143 Ų | 143 | 115.7 Ų | 115.7 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -107.6 | 156.9 | 158.1 | -51 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 21 | A | 29 | Very low | 33.5 | Very low | 85 Ų | 85 | 118.1 Ų | 118.1 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | 92.6 | 111.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 22 | S | 32.1 | Very low | 33.4 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | 85.2 | 114.5 | 121.1 | -59.6 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 23 | T | 32.6 | Very low | 33.4 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | 102.8 | 136.2 | 126.4 | -62.2 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 24 | N | 27.9 | Very low | 33.3 | Very low | 159 Ų | 159 | 122.3 Ų | 122.3 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | 82.7 | 163.5 | 169.7 | -68.6 | -15.4 | 0 | 0 | 0 | 120.2 | ||||
| 25 | S | 31.9 | Very low | 34 | Very low | 106 Ų | 106 | 119.8 Ų | 119.8 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -146.9 | -175.5 | -146.5 | 63 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 26 | P | 43.1 | Very low | 33.2 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | cis | -125 | -133.5 | -13.3 | 25.8 | 0.3 | 0 | 0 | 0 | 112.7 | ||||
| 27 | P | 48.5 | Very low | 33.3 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | -103.9 | -169 | -105.6 | 43.4 | -29.3 | 0 | 0 | 0 | 114.2 | |||||
| 28 | P | 38.7 | Very low | 33.7 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -130.6 | 176.8 | -2.1 | 42.6 | -26.4 | 0 | 0 | 0 | 116.7 | ||||
| 29 | S | 32.3 | Very low | 33.8 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | 25.2 | 146.2 | 149.7 | -56.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 30 | P | 39.9 | Very low | 33.8 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | cis | -152.7 | -165.5 | 38.2 | 42.1 | -19.4 | 0 | 0 | 0 | 118.1 | ||||
| 31 | L | 28.8 | Very low | 34.7 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | 83.5 | 142.9 | 161.4 | -66.1 | 165.8 | 0 | 0 | 0 | 119.7 | ||||
| 32 | T | 28.5 | Very low | 34.9 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -154.5 | 121.1 | -171.9 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 33 | T | 30.2 | Very low | 35.2 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -150.2 | 115 | 164.4 | 47.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 34 | T | 29.9 | Very low | 35.7 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | trans | 7.6 | 149.1 | 143.1 | 58.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 35 | P | 39.5 | Very low | 36.1 | Very low | 105 Ų | 105 | 153.4 Ų | 153.4 | 68% | 0.682 | 82% | 0.819 | S | S | * | * | cis | -154.5 | 165.7 | 43.7 | 42.4 | -21.6 | 0 | 0 | 0 | 121.3 | ||||
| 36 | K | 34.1 | Very low | 36.5 | Very low | 213 Ų | 213 | 154.7 Ų | 154.7 | 93% | 0.926 | 82% | 0.822 | S | S | * | * | trans | 68.7 | 114.2 | 150.6 | -72.5 | 162.4 | -177.2 | 177.5 | 0 | 120.2 | ||||
| 37 | G | 27.8 | Very low | 37 | Very low | 78 Ų | 78 | 154.7 Ų | 154.7 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -136.7 | 147.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 38 | L | 38.1 | Very low | 37.3 | Very low | 175 Ų | 175 | 157.1 Ų | 157.1 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -87.3 | 127.2 | -174.9 | -178.3 | 76.7 | 0 | 0 | 0 | 111.2 | ||||
| 39 | L | 38.7 | Very low | 38.9 | Very low | 170 Ų | 170 | 155.8 Ų | 155.8 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -125.5 | 153.7 | 168.7 | -75.4 | 179.1 | 0 | 0 | 0 | 112.4 | ||||
| 40 | R | 34.1 | Very low | 41.5 | Very low | 243 Ų | 243 | 154.3 Ų | 154.3 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -78.3 | 151.1 | -161.9 | -73.9 | 176.9 | 168.3 | 171.9 | -4.7 | 113.5 | E42 | R40-E42 VanDerWaalsContact C-N 3.31Å; R40-E42 PolarHBondContact O-N 3.37Å | ||
| 41 | K | 42.7 | Very low | 43.7 | Very low | 213 Ų | 213 | 152 Ų | 152 | 93% | 0.926 | 77% | 0.766 | S | S | * | * | trans | -70.6 | 81 | 166.5 | -178.6 | -175 | 176.8 | -177.8 | 0 | 109.8 | ||||
| 42 | E | 33.8 | Very low | 46.7 | Very low | 171 Ų | 171 | 151 Ų | 151 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | -69.8 | 149.5 | 166.1 | -162.4 | 170.7 | 150.5 | 0 | 0 | 110 | R40 R44 | R40-E42 VanDerWaalsContact C-N 3.31Å; R40-E42 PolarHBondContact O-N 3.37Å; E42-R44 PolarHBondContact O-N 3.19Å | ||
| 43 | K | 39.1 | Very low | 49.7 | Very low | 190 Ų | 190 | 149.7 Ų | 149.7 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | trans | -61.1 | 132.5 | 174 | -67.1 | 179.3 | 179.2 | 179.4 | 0 | 107.9 | K45 | K43-K45 PolarHBondContact O-N 3.39Š| ||
| 44 | R | 42.2 | Very low | 52.7 | Low | 242 Ų | 242 | 143.7 Ų | 143.7 | 91% | 0.913 | 70% | 0.701 | S | S | * | * | trans | -58.4 | 111.8 | 162.3 | -75.6 | -175 | 178.2 | 179.7 | -1.1 | 106.7 | E42 V46 | E42-R44 PolarHBondContact O-N 3.19Å; R44-V46 PolarHBondContact O-N 2.85Å | ||
| 45 | K | 36.6 | Very low | 55.6 | Low | 183 Ų | 183 | 140.7 Ų | 140.7 | 80% | 0.796 | 68% | 0.68 | S | S | * | * | trans | -51.6 | 129.4 | 156.3 | -84.6 | -175.3 | 171.9 | -177.3 | 0 | 106.3 | K43 I47 | K43-K45 PolarHBondContact O-N 3.39Å; K45-I47 PolarHBondContact O-N 3.19Å; K45-I47 VanDerWaalsContact O-N 3.07Å | ||
| 46 | V | 39.4 | Very low | 58.2 | Low | 133 Ų | 133 | 139.5 Ų | 139.5 | 81% | 0.806 | 67% | 0.673 | S | S | * | * | trans | -59.7 | 113.6 | 155.7 | 176.2 | 0 | 0 | 0 | 0 | 104.1 | R44 E48 | R44-V46 PolarHBondContact O-N 2.85Å; V46-E48 PolarHBondContact O-N 3.2Å | ||
| 47 | I | 53.2 | Low | 61 | Low | 119 Ų | 119 | 132.8 Ų | 132.8 | 61% | 0.61 | 64% | 0.642 | S | S | * | * | trans | -69.8 | 99.4 | 160.8 | -65.7 | 174.2 | 0 | 0 | 0 | 103.1 | K45 K49 | K45-I47 PolarHBondContact O-N 3.19Å; K45-I47 VanDerWaalsContact O-N 3.07Å; I47-K49 WeakPolarHBondContact O-CG 3.21Å; I47-K49 PolarHBondContact O-N 3.38Å; I47-K49 VanDerWaalsContact O-N 3.1Å | ||
| 48 | E | 55.8 | Low | 64.2 | Low | 164 Ų | 164 | 129.1 Ų | 129.1 | 77% | 0.766 | 60% | 0.604 | S | S | * | * | trans | -55.9 | 113.1 | 170.7 | -171.3 | 160.5 | -140 | 0 | 0 | 106.5 | V46 T50 | V46-E48 PolarHBondContact O-N 3.2Å; E48-T50 PolarHBondContact O-N 2.69Å | ||
| 49 | K | 72.4 | Confident | 66.8 | Low | 83 Ų | 83 | 127.1 Ų | 127.1 | 36% | 0.361 | 59% | 0.59 | S | S | . | * | trans | -83.5 | 69 | -168.8 | -58.9 | -171.3 | -156.7 | 171.1 | 0 | 109.5 | I47 D51 L54 D179 | I47-K49 WeakPolarHBondContact O-CG 3.21Å; I47-K49 PolarHBondContact O-N 3.38Å; I47-K49 VanDerWaalsContact O-N 3.1Å; K49-D51 PolarHBondContact O-N 3.05Å; K49-L54 HydrophobicContact CB-CD1 4.16Å; K49-L54 HydrophobicContact CB-CD2 4.03Å; K49-L54 HydrophobicContact CB-CG 4.13Å; K49-L54 HydrophobicContact CD-CD2 4.1Å; K49-D179 WeakPolarHBondContact CD-OD2 3.35Å; K49-D179 IonicContact NZ-OD1 2.79Å; K49-D179 PolarHBondContact NZ-OD1 3.17Å; K49-D179 IonicContact NZ-OD2 3.27Å; K49-D179 PolarHBondContact NZ-OD2 3.3Å | ||
| 50 | T | 86.3 | Confident | 69.3 | Low | 83 Ų | 83 | 121.6 Ų | 121.6 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | trans | -51.5 | 138 | 175.2 | -44.3 | 0 | 0 | 0 | 0 | 109.9 | E48 E52 Y53 L54 | E48-T50 PolarHBondContact O-N 2.69Å; T50-E52 PolarHBondContact O-N 3.31Å; T50-Y53 WeakPolarHBondContact O-CA 3.34Å; T50-Y53 WeakPolarHBondContact O-CB 3.38Å; T50-Y53 PolarHBondContact O-N 2.75Å; T50-L54 PolarHBondContact O-N 3.49Å | ||
| 51 | D | 86.6 | Confident | 72 | Confident | 64 Ų | 64 | 114.8 Ų | 114.8 | 34% | 0.342 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -51.9 | -33.8 | -177.4 | -72.6 | 0.7 | 0 | 0 | 0 | 113 | K49 Y53 L54 L55 V183 N186 | K49-D51 PolarHBondContact O-N 3.05Å; D51-Y53 PolarHBondContact O-N 3.22Å; D51-L54 PolarHBondContact O-N 3.31Å; D51-L55 VanDerWaalsContact O-CB 3.25Å; D51-L55 WeakPolarHBondContact O-CB 3.25Å; D51-L55 PolarHBondContact O-N 2.97Å; D51-V183 HydrophobicContact CB-CG2 4.03Å; D51-N186 VanDerWaalsContact CG-ND2 3.33Å; D51-N186 PolarHBondContact OD1-ND2 2.95Å; D51-N186 VanDerWaalsContact OD1-ND2 3.08Å; D51-N186 WeakPolarHBondContact OD2-CB 3.27Å; D51-N186 PolarHBondContact OD2-ND2 3Å |
| 52 | E | 90.9 | Very high | 74.4 | Confident | 146 Ų | 146 | 105.7 Ų | 105.7 | 68% | 0.682 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.8 | -39.4 | 174.8 | -175.2 | 178.5 | -169.2 | 0 | 0 | 113.4 | T50 S56 | T50-E52 PolarHBondContact O-N 3.31Å; E52-S56 WeakPolarHBondContact O-CB 3.42Å; E52-S56 PolarHBondContact O-N 2.71Å; E52-S56 PolarHBondContact O-OG 3.09Å |
| 53 | Y | 91.8 | Very high | 77.3 | Confident | 110 Ų | 110 | 98.8 Ų | 98.8 | 43% | 0.431 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.5 | -39.9 | 174.4 | 171.1 | -97.8 | 0 | 0 | 0 | 111.1 | T50 D51 S56 R57 | T50-Y53 WeakPolarHBondContact O-CA 3.34Å; T50-Y53 WeakPolarHBondContact O-CB 3.38Å; T50-Y53 PolarHBondContact O-N 2.75Å; D51-Y53 PolarHBondContact O-N 3.22Å; Y53-S56 PolarHBondContact O-N 2.64Å; Y53-R57 WeakPolarHBondContact O-CB 3.5Å; Y53-R57 PolarHBondContact O-N 2.81Å |
| 54 | L | 93.2 | Very high | 80 | Confident | 6 Ų | 6 | 95.8 Ų | 95.8 | 3% | 0.031 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -67.2 | -42 | 176.6 | -64.4 | -177 | 0 | 0 | 0 | 111.8 | K49 T50 D51 R57 F58 D179 V183 | K49-L54 HydrophobicContact CB-CD1 4.16Å; K49-L54 HydrophobicContact CB-CD2 4.03Å; K49-L54 HydrophobicContact CB-CG 4.13Å; K49-L54 HydrophobicContact CD-CD2 4.1Å; T50-L54 PolarHBondContact O-N 3.49Å; D51-L54 PolarHBondContact O-N 3.31Å; L54-R57 PolarHBondContact O-N 2.83Å; L54-F58 HydrophobicContact CB-CD2 4.43Å; L54-F58 HydrophobicContact CB-CE2 4.37Å; L54-F58 HydrophobicContact CD2-CE2 4.14Å; L54-F58 WeakPolarHBondContact O-CD2 3.32Å; L54-F58 PolarHBondContact O-N 3.41Å; L54-D179 HydrophobicContact CD1-CB 4.04Å; L54-D179 HydrophobicContact CD2-CB 3.79Å; L54-V183 HydrophobicContact CB-CB 3.93Å; L54-V183 HydrophobicContact CB-CG1 4.13Å; L54-V183 HydrophobicContact CB-CG2 4.01Å; L54-V183 HydrophobicContact CD1-CB 4.23Å |
| 55 | L | 91.9 | Very high | 82.6 | Confident | 64 Ų | 64 | 86.6 Ų | 86.6 | 34% | 0.335 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.6 | -54.2 | 173 | -169.5 | 72.7 | 0 | 0 | 0 | 109.8 | D51 R57 F58 Q59 M114 M187 | D51-L55 VanDerWaalsContact O-CB 3.25Å; D51-L55 WeakPolarHBondContact O-CB 3.25Å; D51-L55 PolarHBondContact O-N 2.97Å; L55-R57 PolarHBondContact O-N 3.02Å; L55-F58 PolarHBondContact O-N 2.86Å; L55-Q59 WeakPolarHBondContact O-CB 3.45Å; L55-Q59 PolarHBondContact O-N 3.05Å; L55-M114 HydrophobicContact CD1-CE 3.9Å; L55-M187 HydrophobicContact CD1-SD 4.32Å |
| 56 | S | 92.5 | Very high | 85.5 | Confident | 79 Ų | 79 | 82.4 Ų | 82.4 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.2 | -30.4 | 177.6 | -57.2 | 0 | 0 | 0 | 0 | 113.6 | E52 Y53 | E52-S56 WeakPolarHBondContact O-CB 3.42Å; E52-S56 PolarHBondContact O-N 2.71Å; E52-S56 PolarHBondContact O-OG 3.09Å; Y53-S56 PolarHBondContact O-N 2.64Å |
| 57 | R | 93.1 | Very high | 88.2 | Confident | 73 Ų | 73 | 76.2 Ų | 76.2 | 28% | 0.275 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -77.1 | -33.5 | 179.2 | 175.3 | 176.5 | -178 | 69.5 | 1.3 | 113.4 | Y53 L54 L55 V63 D176 | Y53-R57 WeakPolarHBondContact O-CB 3.5Å; Y53-R57 PolarHBondContact O-N 2.81Å; L54-R57 PolarHBondContact O-N 2.83Å; L55-R57 PolarHBondContact O-N 3.02Å; R57-V63 HydrophobicContact CG-CG2 3.63Å; R57-V63 WeakPolarHBondContact O-CG2 3.28Å; R57-D176 IonicContact CZ-OD1 2.89Å; R57-D176 VanDerWaalsContact CZ-OD1 3.24Å; R57-D176 IonicContact CZ-OD2 2.65Å; R57-D176 VanDerWaalsContact CZ-OD2 3.28Å; R57-D176 IonicContact NE-OD1 3.13Å; R57-D176 PolarHBondContact NE-OD1 2.81Å; R57-D176 IonicContact NE-OD2 3.33Å; R57-D176 PolarHBondContact NE-OD2 3.33Å; R57-D176 IonicContact NH2-OD1 3.89Å; R57-D176 PolarHBondContact NH2-OD1 2.87Å; R57-D176 IonicContact NH2-OD2 3.66Å; R57-D176 PolarHBondContact NH2-OD2 2.87Å |
| 58 | F | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -108.8 | -6.2 | -174.8 | -60 | -51.8 | 0 | 0 | 0 | 114.1 | L54 L55 V63 I112 S113 M114 D176 D179 L180 V183 | L54-F58 HydrophobicContact CB-CD2 4.43Å; L54-F58 HydrophobicContact CB-CE2 4.37Å; L54-F58 HydrophobicContact CD2-CE2 4.14Å; L54-F58 WeakPolarHBondContact O-CD2 3.32Å; L54-F58 PolarHBondContact O-N 3.41Å; L55-F58 PolarHBondContact O-N 2.86Å; F58-V63 HydrophobicContact CD1-CG2 3.99Å; F58-V63 HydrophobicContact CE1-CG2 3.89Å; F58-I112 HydrophobicContact CD1-CG2 3.91Å; F58-I112 HydrophobicContact CE1-CG2 3.78Å; F58-S113 CarbonylContact O-C 3.43Å; F58-S113 WeakPolarHBondContact O-CA 3.35Å; F58-M114 HydrophobicContact CB-CE 3.73Å; F58-M114 PolarHBondContact O-N 2.87Å; F58-D176 HydrophobicContact CE1-CB 3.98Å; F58-D176 HydrophobicContact CZ-CB 3.95Å; F58-D176 WeakPolarHBondContact CZ-O 3.49Å; F58-D179 HydrophobicContact CE2-CB 3.84Å; F58-D179 HydrophobicContact CZ-CB 4.07Å; F58-L180 HydrophobicContact CB-CD1 3.97Å; F58-L180 HydrophobicContact CD2-CB 4.13Å; F58-L180 HydrophobicContact CD2-CD1 4.01Å; F58-L180 HydrophobicContact CE2-CB 4.03Å; F58-L180 HydrophobicContact CG-CD1 4Å; F58-L180 HydrophobicContact CZ-CB 4.36Å; F58-V183 HydrophobicContact CD2-CG1 4.34Å |
| 59 | Q | 92.1 | Very high | 92.3 | Very high | 134 Ų | 134 | 68 Ų | 68 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -65.1 | 145.2 | 175.2 | -171.4 | 171.6 | 26.2 | 0 | 0 | 111.9 | L55 D61 G62 | L55-Q59 WeakPolarHBondContact O-CB 3.45Å; L55-Q59 PolarHBondContact O-N 3.05Å; Q59-D61 PolarHBondContact O-N 2.86Å; Q59-G62 PolarHBondContact O-N 3.48Å |
| 60 | G | 92.2 | Very high | 93.5 | Very high | 54 Ų | 54 | 64.8 Ų | 64.8 | 56% | 0.557 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | -117.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G62 | G60-G62 VanDerWaalsContact C-N 3.3Å; G60-G62 PolarHBondContact O-N 3.13Å |
| 61 | D | 89.9 | Confident | 94 | Very high | 99 Ų | 99 | 61.7 Ų | 61.7 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -7.4 | -171.1 | -133.1 | 31.3 | 0 | 0 | 0 | 114.1 | Q59 R64 N111 | Q59-D61 PolarHBondContact O-N 2.86Å; D61-R64 IonicContact OD2-CZ 3.64Å; D61-R64 IonicContact OD2-NH1 3.81Å; D61-R64 IonicContact OD2-NH2 2.64Å; D61-R64 PolarHBondContact OD2-NH2 3.42Å; D61-N111 PolarHBondContact O-ND2 3.01Å; D61-N111 PolarHBondContact O-OD1 3.32Å; D61-N111 VanDerWaalsContact O-OD1 3.09Å |
| 62 | G | 93.6 | Very high | 94.5 | Very high | 23 Ų | 23 | 61.4 Ų | 61.4 | 24% | 0.237 | 31% | 0.313 | C | S | . | . | trans | 59.5 | -157.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117 | Q59 G60 I112 | Q59-G62 PolarHBondContact O-N 3.48Å; G60-G62 VanDerWaalsContact C-N 3.3Å; G60-G62 PolarHBondContact O-N 3.13Å; G62-I112 CarbonylContact C-O 3.48Å; G62-I112 VanDerWaalsContact CA-O 3.28Å; G62-I112 WeakPolarHBondContact CA-O 3.44Å | ||
| 63 | V | 95.4 | Very high | 94.8 | Very high | 25 Ų | 25 | 55.2 Ų | 55.2 | 15% | 0.152 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 118.6 | -175.9 | -167.6 | 0 | 0 | 0 | 0 | 111.2 | R57 F58 Y65 N111 I112 | R57-V63 HydrophobicContact CG-CG2 3.63Å; R57-V63 WeakPolarHBondContact O-CG2 3.28Å; F58-V63 HydrophobicContact CD1-CG2 3.99Å; F58-V63 HydrophobicContact CE1-CG2 3.89Å; V63-Y65 HydrophobicContact CB-CE2 4.12Å; V63-Y65 HydrophobicContact CG1-CD2 4.18Å; V63-Y65 HydrophobicContact CG1-CE2 3.45Å; V63-Y65 VanDerWaalsContact CG1-CE2 3.45Å; V63-N111 VanDerWaalsContact C-OD1 3.25Å; V63-N111 PolarHBondContact N-OD1 3.1Å; V63-N111 PolarHBondContact O-OD1 2.75Å; V63-N111 VanDerWaalsContact O-OD1 3.12Å; V63-I112 PolarHBondContact N-O 2.91Å; V63-I112 PolarHBondContact O-N 3.43Å |
| 64 | R | 95.1 | Very high | 95 | Very high | 128 Ų | 128 | 55.4 Ų | 55.4 | 48% | 0.483 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129 | -177.6 | 70.9 | -165.4 | 69.6 | -170.2 | -3.4 | 113.9 | D61 W109 V110 | D61-R64 IonicContact OD2-CZ 3.64Å; D61-R64 IonicContact OD2-NH1 3.81Å; D61-R64 IonicContact OD2-NH2 2.64Å; D61-R64 PolarHBondContact OD2-NH2 3.42Å; R64-W109 HydrophobicContact CB-CE3 4.01Å; R64-W109 HydrophobicContact CB-CZ3 4.43Å; R64-W109 HydrophobicContact CG-CE3 3.89Å; R64-W109 HydrophobicContact CG-CZ3 3.82Å; R64-V110 CarbonylContact C-O 3.5Å; R64-V110 WeakPolarHBondContact CA-O 3.41Å |
| 65 | Y | 97 | Very high | 95.2 | Very high | 49 Ų | 49 | 55.7 Ų | 55.7 | 19% | 0.192 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.8 | -177.4 | -73.4 | -87.7 | 0 | 0 | 0 | 112.3 | V63 A67 W109 V110 I112 L173 D176 | V63-Y65 HydrophobicContact CB-CE2 4.12Å; V63-Y65 HydrophobicContact CG1-CD2 4.18Å; V63-Y65 HydrophobicContact CG1-CE2 3.45Å; V63-Y65 VanDerWaalsContact CG1-CE2 3.45Å; Y65-A67 PolarHBondContact O-N 2.94Å; Y65-W109 WeakPolarHBondContact O-CA 3.32Å; Y65-V110 PolarHBondContact N-O 3.19Å; Y65-V110 PolarHBondContact O-N 3.39Å; Y65-I112 HydrophobicContact CD2-CD1 4.17Å; Y65-I112 HydrophobicContact CE2-CD1 4.06Å; Y65-L173 HydrophobicContact CD1-CB 4.3Å; Y65-L173 HydrophobicContact CD1-CD1 4.37Å; Y65-L173 HydrophobicContact CD2-CB 4.35Å; Y65-L173 HydrophobicContact CD2-CD1 4.07Å; Y65-L173 HydrophobicContact CD2-CG 3.89Å; Y65-L173 HydrophobicContact CE1-CB 4.32Å; Y65-L173 HydrophobicContact CE2-CB 4.36Å; Y65-L173 HydrophobicContact CE2-CG 4.24Å; Y65-L173 HydrophobicContact CG-CB 4.32Å; Y65-L173 HydrophobicContact CG-CD1 3.8Å; Y65-L173 HydrophobicContact CG-CG 4.05Å; Y65-D176 PolarHBondContact OH-OD2 3.34Å; Y65-D176 VanDerWaalsContact OH-OD2 3.05Å |
| 66 | K | 96.8 | Very high | 95.2 | Very high | 94 Ų | 94 | 57.6 Ų | 57.6 | 41% | 0.409 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 121.8 | 172 | -69.4 | -157.8 | 176.5 | -153.4 | 0 | 111.3 | W109 E122 A167 | K66-W109 HydrophobicContact CD-CH2 4.1Å; K66-W109 HydrophobicContact CD-CZ2 4.37Å; K66-W109 HydrophobicContact CD-CZ3 4.33Å; K66-W109 HydrophobicContact CG-CD2 4.24Å; K66-W109 HydrophobicContact CG-CE3 3.72Å; K66-W109 HydrophobicContact CG-CH2 3.68Å; K66-W109 HydrophobicContact CG-CZ2 4.15Å; K66-W109 HydrophobicContact CG-CZ3 3.41Å; K66-W109 VanDerWaalsContact CG-CZ3 3.41Å; K66-E122 IonicContact NZ-OE1 3.7Å; K66-E122 PolarHBondContact NZ-OE1 3.39Å; K66-A167 HydrophobicContact CB-CB 4.25Å; K66-A167 WeakPolarHBondContact O-CB 3.5Å; K66-A167 PolarHBondContact O-N 2.92Å |
| 67 | A | 97.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | -172.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y65 I108 V110 I164 K165 T166 | Y65-A67 PolarHBondContact O-N 2.94Å; A67-I108 CarbonylContact C-O 3.59Å; A67-I108 HydrophobicContact CB-CG1 4.08Å; A67-I108 PolarHBondContact N-O 2.98Å; A67-I108 PolarHBondContact O-N 3.27Å; A67-I108 VanDerWaalsContact O-O 3.07Å; A67-V110 HydrophobicContact CB-CG2 4.05Å; A67-I164 HydrophobicContact CB-CG2 3.61Å; A67-K165 CarbonylContact C-O 3.4Å; A67-K165 WeakPolarHBondContact CA-O 3.34Å; A67-T166 HydrophobicContact CB-CG2 4.47Å |
| 68 | K | 97.3 | Very high | 95.3 | Very high | 91 Ų | 91 | 57.4 Ų | 57.4 | 40% | 0.396 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 131.9 | 172.8 | -62 | -169.6 | -176.6 | -173.2 | 0 | 109.3 | I70 K105 Q106 R107 K165 | K68-I70 PolarHBondContact O-N 3.33Å; K68-K105 HydrophobicContact CB-CB 4.2Å; K68-K105 HydrophobicContact CD-CB 4.38Å; K68-Q106 WeakPolarHBondContact CA-O 3.22Å; K68-Q106 WeakPolarHBondContact CB-O 3.34Å; K68-R107 HydrophobicContact CG-CG 4.49Å; K68-K165 PolarHBondContact N-O 3.43Å; K68-K165 PolarHBondContact O-N 3.31Å |
| 69 | L | 97.3 | Very high | 95.2 | Very high | 20 Ų | 20 | 63.7 Ų | 63.7 | 11% | 0.105 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 127.6 | 172.4 | -169.5 | 58.1 | 0 | 0 | 0 | 108.7 | I72 K105 Q106 I108 I119 I164 | L69-I72 HydrophobicContact CD1-CG1 4.4Å; L69-I72 HydrophobicContact CD2-CG1 4.49Å; L69-K105 WeakPolarHBondContact O-CB 3.47Å; L69-Q106 PolarHBondContact N-O 2.89Å; L69-I108 HydrophobicContact CB-CD1 4.17Å; L69-I108 HydrophobicContact CB-CG2 4.42Å; L69-I119 HydrophobicContact CD1-CD1 4.45Å; L69-I164 HydrophobicContact CD1-CG1 4.36Å |
| 70 | I | 97.3 | Very high | 95.3 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.077 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -46 | 172.4 | -61.1 | 175.1 | 0 | 0 | 0 | 108.6 | K68 M88 L91 K92 K105 A148 A163 K165 | K68-I70 PolarHBondContact O-N 3.33Å; I70-M88 HydrophobicContact CD1-CE 4.23Å; I70-M88 HydrophobicContact CD1-SD 3.7Å; I70-L91 HydrophobicContact CG2-CB 3.92Å; I70-K92 HydrophobicContact CG2-CG 4.35Å; I70-K105 VanDerWaalsContact CA-NZ 3.25Å; I70-K105 PolarHBondContact O-NZ 3.16Å; I70-A148 HydrophobicContact CD1-CB 4.17Å; I70-A163 WeakPolarHBondContact CA-O 3.28Å; I70-A163 HydrophobicContact CB-CB 3.75Å; I70-A163 VanDerWaalsContact CB-O 3.22Å; I70-A163 WeakPolarHBondContact CB-O 3.23Å; I70-A163 HydrophobicContact CD1-CB 4.15Å; I70-A163 HydrophobicContact CG1-CB 4.42Å; I70-A163 HydrophobicContact CG2-CB 4.05Å; I70-A163 PolarHBondContact N-O 3.47Å; I70-K165 HydrophobicContact CD1-CB 4.03Å; I70-K165 HydrophobicContact CG1-CB 3.89Å |
| 71 | G | 96.9 | Very high | 95.4 | Very high | 18 Ų | 18 | 60.5 Ų | 60.5 | 19% | 0.186 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | -174.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | A163 | G71-A163 PolarHBondContact O-N 3.11Å; G71-A163 VanDerWaalsContact O-N 3.13Å |
| 72 | I | 96.6 | Very high | 95.6 | Very high | 57 Ų | 57 | 62.7 Ų | 62.7 | 29% | 0.292 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.7 | 174.2 | -52.8 | 165.3 | 0 | 0 | 0 | 106 | L69 L91 Q160 F161 F162 | L69-I72 HydrophobicContact CD1-CG1 4.4Å; L69-I72 HydrophobicContact CD2-CG1 4.49Å; I72-L91 WeakPolarHBondContact O-CD2 3.28Å; I72-Q160 HydrophobicContact CG2-CB 4.05Å; I72-Q160 HydrophobicContact CG2-CG 4.35Å; I72-F161 WeakPolarHBondContact CA-O 3.04Å; I72-F162 HydrophobicContact CD1-CD1 4.05Å; I72-F162 HydrophobicContact CD1-CE1 3.34Å; I72-F162 HydrophobicContact CD1-CZ 3.67Å; I72-F162 HydrophobicContact CG1-CD1 3.76Å; I72-F162 HydrophobicContact CG1-CE1 3.57Å; I72-F162 HydrophobicContact CG1-CG 4.34Å; I72-F162 HydrophobicContact CG1-CZ 3.99Å; I72-F162 HydrophobicContact CG2-CD2 4.08Å; I72-F162 HydrophobicContact CG2-CE1 4.25Å; I72-F162 HydrophobicContact CG2-CE2 3.74Å; I72-F162 HydrophobicContact CG2-CG 4.45Å; I72-F162 HydrophobicContact CG2-CZ 3.82Å |
| 73 | D | 97.1 | Very high | 95.7 | Very high | 16 Ų | 16 | 62.7 Ų | 62.7 | 9% | 0.086 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.1 | 178.9 | -160 | 40.9 | 0 | 0 | 0 | 110.1 | S87 K90 L91 Q160 F161 | D73-S87 VanDerWaalsContact OD2-CB 3.29Å; D73-S87 WeakPolarHBondContact OD2-CB 3.23Å; D73-S87 PolarHBondContact OD2-OG 2.73Å; D73-K90 WeakPolarHBondContact OD1-CE 3.28Å; D73-K90 IonicContact OD1-NZ 2.71Å; D73-K90 PolarHBondContact OD1-NZ 3.45Å; D73-K90 WeakPolarHBondContact OD2-CD 3.39Å; D73-K90 WeakPolarHBondContact OD2-CE 3.49Å; D73-K90 IonicContact OD2-NZ 2.95Å; D73-K90 PolarHBondContact OD2-NZ 3.43Å; D73-L91 HydrophobicContact CB-CD1 3.8Å; D73-L91 HydrophobicContact CB-CD2 4.01Å; D73-L91 HydrophobicContact CB-CG 3.92Å; D73-Q160 CarbonylContact O-C 3.58Å; D73-Q160 WeakPolarHBondContact O-CA 3.44Å; D73-F161 PolarHBondContact N-O 2.97Å; D73-F161 PolarHBondContact O-N 2.83Å |
| 74 | D | 96.7 | Very high | 95.8 | Very high | 114 Ų | 114 | 61.6 Ų | 61.6 | 61% | 0.61 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 134.9 | 171.7 | -55.2 | -68.8 | 0 | 0 | 0 | 109.5 | Q160 | D74-Q160 VanDerWaalsContact OD1-CG 3.26Å; D74-Q160 WeakPolarHBondContact OD1-CG 3.22Å; D74-Q160 PolarHBondContact OD1-NE2 2.93Å |
| 75 | V | 96.5 | Very high | 95.8 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 148.3 | -173.6 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | M83 S87 V152 H159 F161 | V75-M83 HydrophobicContact CB-CE 4.19Å; V75-M83 HydrophobicContact CB-CG 4.15Å; V75-M83 HydrophobicContact CB-SD 3.71Å; V75-M83 HydrophobicContact CG1-CG 4.35Å; V75-M83 HydrophobicContact CG1-SD 4.49Å; V75-M83 HydrophobicContact CG2-CE 3.96Å; V75-M83 HydrophobicContact CG2-SD 4.07Å; V75-S87 VanDerWaalsContact CG1-OG 3.27Å; V75-S87 WeakPolarHBondContact CG1-OG 3.48Å; V75-V152 HydrophobicContact CG2-CG1 4.05Å; V75-H159 HydrophobicContact CG2-CB 3.73Å; V75-H159 WeakPolarHBondContact CG2-O 3.44Å; V75-H159 PolarHBondContact N-O 3.19Å; V75-F161 HydrophobicContact CG1-CB 3.7Å; V75-F161 HydrophobicContact CG2-CB 4.29Å |
| 76 | P | 93.4 | Very high | 95.8 | Very high | 105 Ų | 105 | 60.7 Ų | 60.7 | 68% | 0.682 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -75.7 | -32.1 | -171.8 | 28.5 | -35.5 | 0 | 0 | 0 | 114.1 | M83 | P76-M83 HydrophobicContact CG-SD 4.14Š|
| 77 | E | 94.1 | Very high | 95.9 | Very high | 112 Ų | 112 | 56.7 Ų | 56.7 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -114.1 | 156.8 | -171.4 | -60.6 | 164.8 | -171.6 | 0 | 0 | 111.5 | R79 M83 H159 | E77-R79 VanDerWaalsContact C-N 3.3Å; E77-R79 PolarHBondContact O-N 3.23Å; E77-M83 HydrophobicContact CB-CE 4.32Å; E77-M83 HydrophobicContact CB-SD 3.69Å; E77-M83 HydrophobicContact CG-SD 4.41Å; E77-M83 VanDerWaalsContact O-CE 3.3Å; E77-M83 WeakPolarHBondContact O-CE 3.16Å; E77-H159 VanDerWaalsContact C-CD2 3.43Å |
| 78 | A | 92.6 | Very high | 95.9 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -71.3 | -24.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S137 V152 H159 | A78-S137 WeakPolarHBondContact O-CB 3.35Å; A78-V152 WeakPolarHBondContact O-CB 3.42Å; A78-V152 WeakPolarHBondContact O-CG1 3.42Å; A78-H159 PolarHBondContact N-CD2 2.83Å |
| 79 | R | 93.3 | Very high | 95.9 | Very high | 133 Ų | 133 | 57.2 Ų | 57.2 | 50% | 0.502 | 30% | 0.3 | S | S | . | . | trans | -156.9 | 134 | -170.6 | 170.3 | 167.4 | -178.1 | -178.5 | -1.9 | 111.1 | E77 F138 | E77-R79 VanDerWaalsContact C-N 3.3Å; E77-R79 PolarHBondContact O-N 3.23Å; R79-F138 HydrophobicContact CB-CB 4.04Å; R79-F138 HydrophobicContact CB-CD2 4.33Å; R79-F138 HydrophobicContact CB-CG 4.16Å; R79-F138 HydrophobicContact CG-CB 4.19Å; R79-F138 HydrophobicContact CG-CD1 4.38Å; R79-F138 HydrophobicContact CG-CD2 3.55Å; R79-F138 HydrophobicContact CG-CE2 3.96Å; R79-F138 HydrophobicContact CG-CG 3.79Å | ||
| 80 | G | 94.1 | Very high | 95.9 | Very high | 19 Ų | 19 | 61.2 Ų | 61.2 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | trans | 168.8 | 123.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | K82 M83 C84 | G80-K82 PolarHBondContact O-N 2.92Å; G80-M83 PolarHBondContact O-N 2.77Å; G80-C84 WeakPolarHBondContact O-CB 3.12Å; G80-C84 PolarHBondContact O-N 2.9Å; G80-C84 PolarHBondContact O-SG 2.99Å | ||
| 81 | D | 94.1 | Very high | 95.9 | Very high | 101 Ų | 101 | 60.9 Ų | 60.9 | 54% | 0.54 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | -176.6 | -74.5 | -69 | 0 | 0 | 0 | 112.6 | C84 Q85 F138 | D81-C84 PolarHBondContact O-N 3.39Å; D81-Q85 VanDerWaalsContact O-CB 3.27Å; D81-Q85 WeakPolarHBondContact O-CB 3.49Å; D81-Q85 PolarHBondContact O-N 3.2Å; D81-F138 WeakPolarHBondContact OD1-CZ 3.48Å |
| 82 | K | 95.4 | Very high | 95.9 | Very high | 146 Ų | 146 | 62.1 Ų | 62.1 | 64% | 0.635 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.9 | -50.7 | 175.9 | -177.1 | -171.1 | 174.9 | -63.8 | 0 | 111.5 | G80 C84 Q85 D86 | G80-K82 PolarHBondContact O-N 2.92Å; K82-C84 VanDerWaalsContact C-N 3.34Å; K82-C84 PolarHBondContact O-N 3.03Å; K82-Q85 WeakPolarHBondContact O-CB 3.42Å; K82-Q85 PolarHBondContact O-N 3.46Å; K82-Q85 VanDerWaalsContact O-N 3.15Å; K82-D86 IonicContact NZ-OD2 2.58Å; K82-D86 PolarHBondContact NZ-OD2 2.9Å; K82-D86 VanDerWaalsContact O-CG 3.28Å; K82-D86 PolarHBondContact O-N 2.85Å |
| 83 | M | 95.4 | Very high | 95.9 | Very high | 23 Ų | 23 | 61.4 Ų | 61.4 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58 | -46.3 | 178.3 | 176.8 | -165.3 | 71 | 0 | 0 | 111.3 | V75 P76 E77 G80 Q85 D86 S87 V152 | V75-M83 HydrophobicContact CB-CE 4.19Å; V75-M83 HydrophobicContact CB-CG 4.15Å; V75-M83 HydrophobicContact CB-SD 3.71Å; V75-M83 HydrophobicContact CG1-CG 4.35Å; V75-M83 HydrophobicContact CG1-SD 4.49Å; V75-M83 HydrophobicContact CG2-CE 3.96Å; V75-M83 HydrophobicContact CG2-SD 4.07Å; P76-M83 HydrophobicContact CG-SD 4.14Å; E77-M83 HydrophobicContact CB-CE 4.32Å; E77-M83 HydrophobicContact CB-SD 3.69Å; E77-M83 HydrophobicContact CG-SD 4.41Å; E77-M83 VanDerWaalsContact O-CE 3.3Å; E77-M83 WeakPolarHBondContact O-CE 3.16Å; G80-M83 PolarHBondContact O-N 2.77Å; M83-Q85 VanDerWaalsContact C-N 3.32Å; M83-Q85 PolarHBondContact O-N 3.49Å; M83-D86 PolarHBondContact O-N 3.26Å; M83-S87 PolarHBondContact O-N 3.02Å; M83-V152 HydrophobicContact CE-CG2 4.01Å |
| 84 | C | 96.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.014 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.2 | -35 | 177.2 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | G80 D81 K82 M88 A140 V152 F161 | G80-C84 WeakPolarHBondContact O-CB 3.12Å; G80-C84 PolarHBondContact O-N 2.9Å; G80-C84 PolarHBondContact O-SG 2.99Å; D81-C84 PolarHBondContact O-N 3.39Å; K82-C84 VanDerWaalsContact C-N 3.34Å; K82-C84 PolarHBondContact O-N 3.03Å; C84-M88 WeakPolarHBondContact O-CB 3.4Å; C84-M88 PolarHBondContact O-N 2.95Å; C84-A140 HydrophobicContact CB-CB 3.36Å; C84-V152 VanDerWaalsContact SG-CG2 3.52Å; C84-F161 HydrophobicContact CB-CD2 4.1Å; C84-F161 HydrophobicContact CB-CE2 3.56Å; C84-F161 HydrophobicContact CB-CZ 3.98Å; C84-F161 WeakPolarHBondContact O-CE1 3.44Å; C84-F161 WeakPolarHBondContact O-CZ 3.2Å |
| 85 | Q | 96.7 | Very high | 95.9 | Very high | 84 Ų | 84 | 61.4 Ų | 61.4 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.8 | -44.9 | 175 | -177 | 175.7 | 8.4 | 0 | 0 | 111.3 | D81 K82 M83 M88 M89 | D81-Q85 VanDerWaalsContact O-CB 3.27Å; D81-Q85 WeakPolarHBondContact O-CB 3.49Å; D81-Q85 PolarHBondContact O-N 3.2Å; K82-Q85 WeakPolarHBondContact O-CB 3.42Å; K82-Q85 PolarHBondContact O-N 3.46Å; K82-Q85 VanDerWaalsContact O-N 3.15Å; M83-Q85 VanDerWaalsContact C-N 3.32Å; M83-Q85 PolarHBondContact O-N 3.49Å; Q85-M88 PolarHBondContact O-N 3.35Å; Q85-M89 HydrophobicContact CG-CE 4Å; Q85-M89 WeakPolarHBondContact O-CG 3.42Å; Q85-M89 PolarHBondContact O-N 3.05Å |
| 86 | D | 96.8 | Very high | 95.9 | Very high | 74 Ų | 74 | 65.8 Ų | 65.8 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 177.4 | -69.1 | -27.2 | 0 | 0 | 0 | 110.9 | K82 M83 M88 M89 K90 | K82-D86 IonicContact NZ-OD2 2.58Å; K82-D86 PolarHBondContact NZ-OD2 2.9Å; K82-D86 VanDerWaalsContact O-CG 3.28Å; K82-D86 PolarHBondContact O-N 2.85Å; M83-D86 PolarHBondContact O-N 3.26Å; D86-M88 PolarHBondContact O-N 2.78Å; D86-M89 PolarHBondContact O-N 3.08Å; D86-K90 WeakPolarHBondContact O-CB 3.34Å; D86-K90 PolarHBondContact O-N 3.35Å |
| 87 | S | 97.6 | Very high | 96 | Very high | 10 Ų | 10 | 63.1 Ų | 63.1 | 7% | 0.07 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 174.5 | -72.3 | 0 | 0 | 0 | 0 | 112.9 | D73 V75 M83 K90 L91 | D73-S87 VanDerWaalsContact OD2-CB 3.29Å; D73-S87 WeakPolarHBondContact OD2-CB 3.23Å; D73-S87 PolarHBondContact OD2-OG 2.73Å; V75-S87 VanDerWaalsContact CG1-OG 3.27Å; V75-S87 WeakPolarHBondContact CG1-OG 3.48Å; M83-S87 PolarHBondContact O-N 3.02Å; S87-K90 PolarHBondContact O-N 3.1Å; S87-L91 WeakPolarHBondContact O-CB 3.41Å; S87-L91 VanDerWaalsContact O-CG 3.28Å; S87-L91 WeakPolarHBondContact O-CG 3.45Å; S87-L91 PolarHBondContact O-N 3.07Å |
| 88 | M | 97.3 | Very high | 96.1 | Very high | 7 Ų | 7 | 59 Ų | 59 | 3% | 0.034 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 172.1 | 179 | 59.5 | 73.5 | 0 | 0 | 111.6 | I70 C84 Q85 D86 K92 D142 A148 F149 F161 A163 | I70-M88 HydrophobicContact CD1-CE 4.23Å; I70-M88 HydrophobicContact CD1-SD 3.7Å; C84-M88 WeakPolarHBondContact O-CB 3.4Å; C84-M88 PolarHBondContact O-N 2.95Å; Q85-M88 PolarHBondContact O-N 3.35Å; D86-M88 PolarHBondContact O-N 2.78Å; M88-K92 HydrophobicContact CG-CD 4.35Å; M88-K92 VanDerWaalsContact O-CB 3.3Å; M88-K92 WeakPolarHBondContact O-CB 2.76Å; M88-K92 VanDerWaalsContact O-CG 3.24Å; M88-K92 WeakPolarHBondContact O-CG 3.4Å; M88-K92 PolarHBondContact O-N 3.25Å; M88-K92 HydrophobicContact SD-CD 4.39Å; M88-K92 HydrophobicContact SD-CG 4.23Å; M88-D142 WeakPolarHBondContact CG-OD2 3.05Å; M88-A148 HydrophobicContact CE-CB 4.49Å; M88-F149 VanDerWaalsContact CE-O 3.31Å; M88-F149 WeakPolarHBondContact CE-O 3.33Å; M88-F161 HydrophobicContact CB-CE1 3.9Å; M88-F161 HydrophobicContact CB-CZ 4.23Å; M88-F161 HydrophobicContact CE-CE1 4.06Å; M88-F161 HydrophobicContact CE-CZ 3.99Å; M88-A163 HydrophobicContact CE-CB 3.65Å; M88-A163 HydrophobicContact SD-CB 3.87Å |
| 89 | M | 97.4 | Very high | 96.2 | Very high | 99 Ų | 99 | 65.8 Ų | 65.8 | 49% | 0.488 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 176.1 | -69.2 | -158.1 | -168.4 | 0 | 0 | 111.8 | Q85 D86 K92 G93 T144 | Q85-M89 HydrophobicContact CG-CE 4Å; Q85-M89 WeakPolarHBondContact O-CG 3.42Å; Q85-M89 PolarHBondContact O-N 3.05Å; D86-M89 PolarHBondContact O-N 3.08Å; M89-K92 PolarHBondContact O-N 2.78Å; M89-G93 PolarHBondContact O-N 2.99Å; M89-T144 HydrophobicContact CE-CG2 4.4Å |
| 90 | K | 97.4 | Very high | 96.3 | Very high | 104 Ų | 104 | 64.5 Ų | 64.5 | 45% | 0.452 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -55.7 | -53.1 | 174.9 | 178.4 | 178.2 | 166.6 | -160.2 | 0 | 111.6 | D73 D86 S87 K92 G93 M94 | D73-K90 WeakPolarHBondContact OD1-CE 3.28Å; D73-K90 IonicContact OD1-NZ 2.71Å; D73-K90 PolarHBondContact OD1-NZ 3.45Å; D73-K90 WeakPolarHBondContact OD2-CD 3.39Å; D73-K90 WeakPolarHBondContact OD2-CE 3.49Å; D73-K90 IonicContact OD2-NZ 2.95Å; D73-K90 PolarHBondContact OD2-NZ 3.43Å; D86-K90 WeakPolarHBondContact O-CB 3.34Å; D86-K90 PolarHBondContact O-N 3.35Å; S87-K90 PolarHBondContact O-N 3.1Å; K90-K92 PolarHBondContact O-N 2.76Å; K90-G93 PolarHBondContact O-N 2.86Å; K90-M94 HydrophobicContact CG-SD 4.1Å; K90-M94 WeakPolarHBondContact O-CG 3.34Å; K90-M94 PolarHBondContact O-N 3.04Å |
| 91 | L | 97.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 71.2 Ų | 71.2 | 4% | 0.037 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.6 | -33.3 | 178.4 | -67.9 | 177.5 | 0 | 0 | 0 | 113.2 | I70 I72 D73 S87 M94 A95 F161 A163 | I70-L91 HydrophobicContact CG2-CB 3.92Å; I72-L91 WeakPolarHBondContact O-CD2 3.28Å; D73-L91 HydrophobicContact CB-CD1 3.8Å; D73-L91 HydrophobicContact CB-CD2 4.01Å; D73-L91 HydrophobicContact CB-CG 3.92Å; S87-L91 WeakPolarHBondContact O-CB 3.41Å; S87-L91 VanDerWaalsContact O-CG 3.28Å; S87-L91 WeakPolarHBondContact O-CG 3.45Å; S87-L91 PolarHBondContact O-N 3.07Å; L91-M94 HydrophobicContact CD2-SD 4.33Å; L91-A95 WeakPolarHBondContact O-CB 3.35Å; L91-A95 PolarHBondContact O-N 3.3Å; L91-F161 HydrophobicContact CD1-CD1 4.24Å; L91-A163 HydrophobicContact CB-CB 4.34Å; L91-A163 HydrophobicContact CD1-CB 3.5Å; L91-A163 VanDerWaalsContact CD1-CB 3.5Å |
| 92 | K | 96.9 | Very high | 96.3 | Very high | 45 Ų | 45 | 68.6 Ų | 68.6 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | 169.7 | -80.9 | -179.7 | -178.2 | -171.3 | 0 | 111.4 | I70 M88 M89 K90 A95 V96 D142 T144 | I70-K92 HydrophobicContact CG2-CG 4.35Å; M88-K92 HydrophobicContact CG-CD 4.35Å; M88-K92 VanDerWaalsContact O-CB 3.3Å; M88-K92 WeakPolarHBondContact O-CB 2.76Å; M88-K92 VanDerWaalsContact O-CG 3.24Å; M88-K92 WeakPolarHBondContact O-CG 3.4Å; M88-K92 PolarHBondContact O-N 3.25Å; M88-K92 HydrophobicContact SD-CD 4.39Å; M88-K92 HydrophobicContact SD-CG 4.23Å; M89-K92 PolarHBondContact O-N 2.78Å; K90-K92 PolarHBondContact O-N 2.76Å; K92-A95 CarbonylContact O-C 3.6Å; K92-A95 PolarHBondContact O-N 2.85Å; K92-V96 WeakPolarHBondContact O-CG2 3.41Å; K92-V96 PolarHBondContact O-N 2.93Å; K92-D142 WeakPolarHBondContact CE-OD2 3.46Å; K92-D142 IonicContact NZ-OD1 3.24Å; K92-D142 PolarHBondContact NZ-OD1 3.12Å; K92-D142 IonicContact NZ-OD2 2.83Å; K92-D142 PolarHBondContact NZ-OD2 3.03Å; K92-T144 PolarHBondContact NZ-OG1 3.39Å |
| 93 | G | 97 | Very high | 96.2 | Very high | 42 Ų | 42 | 69 Ų | 69 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60 | -52 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M89 K90 A95 V96 A97 | M89-G93 PolarHBondContact O-N 2.99Å; K90-G93 PolarHBondContact O-N 2.86Å; G93-A95 VanDerWaalsContact C-N 3.26Å; G93-A95 PolarHBondContact O-N 3.03Å; G93-V96 WeakPolarHBondContact O-CB 3.5Å; G93-V96 PolarHBondContact O-N 3.15Å; G93-A97 PolarHBondContact O-N 3.13Å |
| 94 | M | 96.8 | Very high | 96.2 | Very high | 115 Ų | 115 | 75 Ų | 75 | 57% | 0.567 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -54.8 | -41.4 | 174.8 | -70.2 | 172.7 | 70.6 | 0 | 0 | 112 | K90 L91 V96 A97 A98 | K90-M94 HydrophobicContact CG-SD 4.1Å; K90-M94 WeakPolarHBondContact O-CG 3.34Å; K90-M94 PolarHBondContact O-N 3.04Å; L91-M94 HydrophobicContact CD2-SD 4.33Å; M94-V96 PolarHBondContact O-N 2.84Å; M94-A97 PolarHBondContact O-N 3.45Å; M94-A98 WeakPolarHBondContact O-CB 3.47Å; M94-A98 PolarHBondContact O-N 3.05Å |
| 95 | A | 96.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 77.9 Ų | 77.9 | 12% | 0.116 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -79 | -13.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L91 K92 G93 R99 | L91-A95 WeakPolarHBondContact O-CB 3.35Å; L91-A95 PolarHBondContact O-N 3.3Å; K92-A95 CarbonylContact O-C 3.6Å; K92-A95 PolarHBondContact O-N 2.85Å; G93-A95 VanDerWaalsContact C-N 3.26Å; G93-A95 PolarHBondContact O-N 3.03Å; A95-R99 WeakPolarHBondContact O-CB 3.36Å; A95-R99 PolarHBondContact O-N 3.3Å |
| 96 | V | 96.5 | Very high | 96.1 | Very high | 104 Ų | 104 | 77.2 Ų | 77.2 | 63% | 0.63 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -77.4 | -42.1 | 165.4 | 168.6 | 0 | 0 | 0 | 0 | 109.8 | K92 G93 M94 R99 S100 | K92-V96 WeakPolarHBondContact O-CG2 3.41Å; K92-V96 PolarHBondContact O-N 2.93Å; G93-V96 WeakPolarHBondContact O-CB 3.5Å; G93-V96 PolarHBondContact O-N 3.15Å; M94-V96 PolarHBondContact O-N 2.84Å; V96-R99 WeakPolarHBondContact O-CB 3.45Å; V96-R99 PolarHBondContact O-N 2.71Å; V96-S100 PolarHBondContact O-N 3.47Å; V96-S100 VanDerWaalsContact O-N 3.07Å |
| 97 | A | 96.4 | Very high | 96.1 | Very high | 49 Ų | 49 | 78.9 Ų | 78.9 | 41% | 0.405 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G93 M94 R99 S100 Q101 | G93-A97 PolarHBondContact O-N 3.13Å; M94-A97 PolarHBondContact O-N 3.45Å; A97-R99 PolarHBondContact O-N 2.95Å; A97-S100 PolarHBondContact O-N 2.91Å; A97-S100 PolarHBondContact O-OG 2.94Å; A97-Q101 PolarHBondContact O-N 3.34Å |
| 98 | A | 96 | Very high | 96.1 | Very high | 25 Ų | 25 | 78.4 Ų | 78.4 | 21% | 0.207 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.7 | -33.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M94 Q101 G102 K103 | M94-A98 WeakPolarHBondContact O-CB 3.47Å; M94-A98 PolarHBondContact O-N 3.05Å; A98-Q101 CarbonylContact O-C 3.41Å; A98-Q101 WeakPolarHBondContact O-CB 3.46Å; A98-Q101 PolarHBondContact O-N 2.67Å; A98-G102 PolarHBondContact O-N 3.47Å; A98-K103 CarbonylContact C-O 3.59Å; A98-K103 HydrophobicContact CB-CB 4.29Å; A98-K103 WeakPolarHBondContact O-CA 3.17Å; A98-K103 WeakPolarHBondContact O-CB 3.47Å; A98-K103 PolarHBondContact O-N 3.24Å |
| 99 | R | 95.3 | Very high | 96.1 | Very high | 179 Ų | 179 | 81.7 Ų | 81.7 | 68% | 0.675 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -71.3 | -33.6 | 177 | -176.1 | -179.3 | 177.9 | -168.2 | -1.8 | 113 | A95 V96 A97 Q101 G102 | A95-R99 WeakPolarHBondContact O-CB 3.36Å; A95-R99 PolarHBondContact O-N 3.3Å; V96-R99 WeakPolarHBondContact O-CB 3.45Å; V96-R99 PolarHBondContact O-N 2.71Å; A97-R99 PolarHBondContact O-N 2.95Å; R99-Q101 VanDerWaalsContact C-N 3.27Å; R99-G102 PolarHBondContact O-N 3.46Å |
| 100 | S | 95.2 | Very high | 96.1 | Very high | 105 Ų | 105 | 77 Ų | 77 | 73% | 0.734 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.2 | -27.2 | 173.2 | 62 | 0 | 0 | 0 | 0 | 112.1 | V96 A97 G102 | V96-S100 PolarHBondContact O-N 3.47Å; V96-S100 VanDerWaalsContact O-N 3.07Å; A97-S100 PolarHBondContact O-N 2.91Å; A97-S100 PolarHBondContact O-OG 2.94Å; S100-G102 PolarHBondContact O-N 2.87Å |
| 101 | Q | 94.1 | Very high | 96.1 | Very high | 160 Ų | 160 | 72.6 Ų | 72.6 | 75% | 0.748 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 3.5 | 166.4 | -60.9 | 173.4 | -12 | 0 | 0 | 113.8 | A97 A98 R99 K103 | A97-Q101 PolarHBondContact O-N 3.34Å; A98-Q101 CarbonylContact O-C 3.41Å; A98-Q101 WeakPolarHBondContact O-CB 3.46Å; A98-Q101 PolarHBondContact O-N 2.67Å; R99-Q101 VanDerWaalsContact C-N 3.27Å; Q101-K103 VanDerWaalsContact C-N 3.27Å; Q101-K103 PolarHBondContact O-N 2.97Å |
| 102 | G | 93.6 | Very high | 96 | Very high | 46 Ų | 46 | 72.3 Ų | 72.3 | 47% | 0.474 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -3.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A98 R99 S100 H104 | A98-G102 PolarHBondContact O-N 3.47Å; R99-G102 PolarHBondContact O-N 3.46Å; S100-G102 PolarHBondContact O-N 2.87Å; G102-H104 PolarHBondContact O-CD2 3.17Å; G102-H104 PolarHBondContact O-N 2.96Å |
| 103 | K | 94.3 | Very high | 96 | Very high | 156 Ų | 156 | 70.1 Ų | 70.1 | 68% | 0.678 | 37% | 0.367 | S | S | * | . | trans | -75.4 | 109.7 | 175.8 | -171.6 | 175.8 | -178.2 | 179.3 | 0 | 109.9 | A98 Q101 | A98-K103 CarbonylContact C-O 3.59Å; A98-K103 HydrophobicContact CB-CB 4.29Å; A98-K103 WeakPolarHBondContact O-CA 3.17Å; A98-K103 WeakPolarHBondContact O-CB 3.47Å; A98-K103 PolarHBondContact O-N 3.24Å; Q101-K103 VanDerWaalsContact C-N 3.27Å; Q101-K103 PolarHBondContact O-N 2.97Å | ||
| 104 | H | 94.3 | Very high | 95.8 | Very high | 147 Ų | 147 | 70.4 Ų | 70.4 | 68% | 0.681 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -81.9 | 145.9 | 176.5 | -68.2 | -69.9 | 0 | 0 | 0 | 112.2 | G102 Q106 | G102-H104 PolarHBondContact O-CD2 3.17Å; G102-H104 PolarHBondContact O-N 2.96Å; H104-Q106 PolarHBondContact O-N 3.41Å |
| 105 | K | 95.4 | Very high | 95.6 | Very high | 63 Ų | 63 | 67.6 Ų | 67.6 | 27% | 0.274 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 132 | 168.3 | -68.8 | -178 | -175.7 | -72 | 0 | 110.7 | K68 L69 I70 | K68-K105 HydrophobicContact CB-CB 4.2Å; K68-K105 HydrophobicContact CD-CB 4.38Å; L69-K105 WeakPolarHBondContact O-CB 3.47Å; I70-K105 VanDerWaalsContact CA-NZ 3.25Å; I70-K105 PolarHBondContact O-NZ 3.16Å |
| 106 | Q | 96.4 | Very high | 95.5 | Very high | 70 Ų | 70 | 67 Ų | 67 | 33% | 0.327 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 150.6 | 175.5 | -171.3 | 165 | 0.3 | 0 | 0 | 111 | K68 L69 H104 I108 D121 E128 | K68-Q106 WeakPolarHBondContact CA-O 3.22Å; K68-Q106 WeakPolarHBondContact CB-O 3.34Å; L69-Q106 PolarHBondContact N-O 2.89Å; H104-Q106 PolarHBondContact O-N 3.41Å; Q106-I108 HydrophobicContact CG-CG2 4.05Å; Q106-D121 PolarHBondContact NE2-OD1 2.64Å; Q106-E128 PolarHBondContact NE2-OE1 3.37Å; Q106-E128 PolarHBondContact NE2-OE2 2.66Å |
| 107 | R | 96.8 | Very high | 95.5 | Very high | 109 Ų | 109 | 62 Ų | 62 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.2 | 177.8 | -60 | -174.3 | 65.7 | -139.8 | -8.1 | 107.4 | K68 E122 | K68-R107 HydrophobicContact CG-CG 4.49Å; R107-E122 HydrophobicContact CB-CB 3.96Å; R107-E122 IonicContact CZ-OE1 3.14Å; R107-E122 VanDerWaalsContact CZ-OE1 3.31Å; R107-E122 IonicContact CZ-OE2 3.43Å; R107-E122 IonicContact NE-OE2 2.76Å; R107-E122 PolarHBondContact NE-OE2 2.86Å; R107-E122 IonicContact NH1-OE1 2.54Å; R107-E122 PolarHBondContact NH1-OE1 2.85Å; R107-E122 IonicContact NH1-OE2 2.78Å; R107-E122 IonicContact NH2-OE1 2.72Å; R107-E122 PolarHBondContact NH2-OE1 2.99Å; R107-E122 IonicContact NH2-OE2 3.83Å; R107-E122 PolarHBondContact NH2-OE2 2.96Å; R107-E122 WeakPolarHBondContact O-CB 3.44Å; R107-E122 PolarHBondContact O-N 3.33Å |
| 108 | I | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 155.6 | -172.7 | 63.4 | 170.6 | 0 | 0 | 0 | 110.5 | A67 L69 Q106 V110 I119 V120 I164 | A67-I108 CarbonylContact C-O 3.59Å; A67-I108 HydrophobicContact CB-CG1 4.08Å; A67-I108 PolarHBondContact N-O 2.98Å; A67-I108 PolarHBondContact O-N 3.27Å; A67-I108 VanDerWaalsContact O-O 3.07Å; L69-I108 HydrophobicContact CB-CD1 4.17Å; L69-I108 HydrophobicContact CB-CG2 4.42Å; Q106-I108 HydrophobicContact CG-CG2 4.05Å; I108-V110 HydrophobicContact CD1-CG2 4.03Å; I108-I119 HydrophobicContact CB-CG2 4.11Å; I108-I119 HydrophobicContact CD1-CD1 4.49Å; I108-I119 HydrophobicContact CD1-CG1 4.39Å; I108-I119 HydrophobicContact CD1-CG2 3.86Å; I108-I119 HydrophobicContact CG2-CG2 3.95Å; I108-V120 CarbonylContact C-O 3.55Å; I108-V120 VanDerWaalsContact CA-O 3.28Å; I108-V120 WeakPolarHBondContact CA-O 3.44Å; I108-I164 HydrophobicContact CD1-CD1 4.25Å; I108-I164 HydrophobicContact CD1-CG1 4.5Å; I108-I164 HydrophobicContact CD1-CG2 4.36Å |
| 109 | W | 97.1 | Very high | 95.5 | Very high | 76 Ų | 76 | 61 Ų | 61 | 29% | 0.288 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 129.7 | 155.4 | -61.5 | 94.9 | 0 | 0 | 0 | 108.6 | R64 Y65 K66 V120 | R64-W109 HydrophobicContact CB-CE3 4.01Å; R64-W109 HydrophobicContact CB-CZ3 4.43Å; R64-W109 HydrophobicContact CG-CE3 3.89Å; R64-W109 HydrophobicContact CG-CZ3 3.82Å; Y65-W109 WeakPolarHBondContact O-CA 3.32Å; K66-W109 HydrophobicContact CD-CH2 4.1Å; K66-W109 HydrophobicContact CD-CZ2 4.37Å; K66-W109 HydrophobicContact CD-CZ3 4.33Å; K66-W109 HydrophobicContact CG-CD2 4.24Å; K66-W109 HydrophobicContact CG-CE3 3.72Å; K66-W109 HydrophobicContact CG-CH2 3.68Å; K66-W109 HydrophobicContact CG-CZ2 4.15Å; K66-W109 HydrophobicContact CG-CZ3 3.41Å; K66-W109 VanDerWaalsContact CG-CZ3 3.41Å; W109-V120 HydrophobicContact CB-CB 4.34Å; W109-V120 PolarHBondContact N-O 2.7Å; W109-V120 PolarHBondContact O-N 2.83Å |
| 110 | V | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 117.7 | 161.7 | -178.6 | 0 | 0 | 0 | 0 | 106.3 | R64 Y65 A67 I108 I112 I117 I164 L173 | R64-V110 CarbonylContact C-O 3.5Å; R64-V110 WeakPolarHBondContact CA-O 3.41Å; Y65-V110 PolarHBondContact N-O 3.19Å; Y65-V110 PolarHBondContact O-N 3.39Å; A67-V110 HydrophobicContact CB-CG2 4.05Å; I108-V110 HydrophobicContact CD1-CG2 4.03Å; V110-I112 HydrophobicContact CG1-CG1 4.45Å; V110-I117 HydrophobicContact CG1-CG2 3.99Å; V110-I164 HydrophobicContact CG2-CD1 3.75Å; V110-I164 HydrophobicContact CG2-CG2 3.98Å; V110-L173 HydrophobicContact CB-CD1 4.27Å; V110-L173 HydrophobicContact CG1-CD1 4.33Å |
| 111 | N | 96.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 49.2 Ų | 49.2 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 135.3 | 173.5 | -163.9 | 13.5 | 0 | 0 | 0 | 110.4 | D61 V63 I117 R118 | D61-N111 PolarHBondContact O-ND2 3.01Å; D61-N111 PolarHBondContact O-OD1 3.32Å; D61-N111 VanDerWaalsContact O-OD1 3.09Å; V63-N111 VanDerWaalsContact C-OD1 3.25Å; V63-N111 PolarHBondContact N-OD1 3.1Å; V63-N111 PolarHBondContact O-OD1 2.75Å; V63-N111 VanDerWaalsContact O-OD1 3.12Å; N111-I117 WeakPolarHBondContact O-CA 3.4Å; N111-R118 HydrophobicContact CB-CB 4.3Å; N111-R118 PolarHBondContact N-O 3.34Å; N111-R118 PolarHBondContact O-N 2.76Å |
| 112 | I | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 116 | -178.4 | -62 | 175.1 | 0 | 0 | 0 | 107.7 | F58 G62 V63 Y65 V110 L173 D176 L177 L180 | F58-I112 HydrophobicContact CD1-CG2 3.91Å; F58-I112 HydrophobicContact CE1-CG2 3.78Å; G62-I112 CarbonylContact C-O 3.48Å; G62-I112 VanDerWaalsContact CA-O 3.28Å; G62-I112 WeakPolarHBondContact CA-O 3.44Å; V63-I112 PolarHBondContact N-O 2.91Å; V63-I112 PolarHBondContact O-N 3.43Å; Y65-I112 HydrophobicContact CD2-CD1 4.17Å; Y65-I112 HydrophobicContact CE2-CD1 4.06Å; V110-I112 HydrophobicContact CG1-CG1 4.45Å; I112-L173 HydrophobicContact CD1-CD2 3.77Å; I112-L173 HydrophobicContact CD1-CG 3.79Å; I112-D176 HydrophobicContact CD1-CB 4.04Å; I112-L177 HydrophobicContact CD1-CD2 3.68Å; I112-L177 HydrophobicContact CD1-CG 3.77Å; I112-L177 HydrophobicContact CG1-CD2 3.8Å; I112-L177 HydrophobicContact CG1-CG 4.44Å; I112-L177 HydrophobicContact CG2-CD2 3.98Å; I112-L180 HydrophobicContact CG2-CB 4.36Å; I112-L180 HydrophobicContact CG2-CD2 3.69Å |
| 113 | S | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 169.5 | -172.7 | 64 | 0 | 0 | 0 | 0 | 111 | F58 S115 G116 L180 | F58-S113 CarbonylContact O-C 3.43Å; F58-S113 WeakPolarHBondContact O-CA 3.35Å; S113-S115 PolarHBondContact O-N 2.86Å; S113-S115 VanDerWaalsContact O-N 3.13Å; S113-S115 PolarHBondContact OG-N 2.76Å; S113-G116 PolarHBondContact N-O 2.99Å; S113-G116 WeakPolarHBondContact O-CA 3.28Å; S113-G116 PolarHBondContact O-N 2.84Å; S113-G116 PolarHBondContact OG-O 2.85Å; S113-L180 WeakPolarHBondContact O-CD1 3.44Å; S113-L180 VanDerWaalsContact O-CD2 3.28Å; S113-L180 WeakPolarHBondContact O-CD2 3.47Å |
| 114 | M | 93.2 | Very high | 95.7 | Very high | 48 Ų | 48 | 46.5 Ų | 46.5 | 24% | 0.236 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.8 | 173.7 | -153.7 | 60.5 | 47.6 | 0 | 0 | 113.1 | L55 F58 L180 V183 I184 | L55-M114 HydrophobicContact CD1-CE 3.9Å; F58-M114 HydrophobicContact CB-CE 3.73Å; F58-M114 PolarHBondContact O-N 2.87Å; M114-L180 HydrophobicContact CE-CD1 4.32Å; M114-L180 HydrophobicContact SD-CD1 4.34Å; M114-V183 HydrophobicContact CE-CG1 4.35Å; M114-I184 HydrophobicContact SD-CD1 3.75Å; M114-I184 HydrophobicContact SD-CG1 3.44Å; M114-I184 WeakPolarHBondContact SD-CG1 3.33Å |
| 115 | S | 92.6 | Very high | 95.7 | Very high | 56 Ų | 56 | 42.1 Ų | 42.1 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -29.6 | 172.6 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | S113 V132 V133 | S113-S115 PolarHBondContact O-N 2.86Å; S113-S115 VanDerWaalsContact O-N 3.13Å; S113-S115 PolarHBondContact OG-N 2.76Å; S115-V132 VanDerWaalsContact O-CA 3.31Å; S115-V132 WeakPolarHBondContact O-CA 3.37Å; S115-V133 PolarHBondContact O-N 2.95Å |
| 116 | G | 94.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.3 | -147.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S113 H131 V133 | S113-G116 PolarHBondContact N-O 2.99Å; S113-G116 WeakPolarHBondContact O-CA 3.28Å; S113-G116 PolarHBondContact O-N 2.84Å; S113-G116 PolarHBondContact OG-O 2.85Å; G116-H131 WeakPolarHBondContact CA-O 3.41Å; G116-V133 VanDerWaalsContact CA-CG2 3.48Å |
| 117 | I | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127.4 | -180 | -60.6 | 177.7 | 0 | 0 | 0 | 109.8 | V110 N111 H131 I136 Y151 L177 | V110-I117 HydrophobicContact CG1-CG2 3.99Å; N111-I117 WeakPolarHBondContact O-CA 3.4Å; I117-H131 PolarHBondContact N-O 3.25Å; I117-H131 PolarHBondContact O-N 3.23Å; I117-I136 HydrophobicContact CB-CD1 4.13Å; I117-I136 HydrophobicContact CD1-CD1 3.67Å; I117-I136 HydrophobicContact CG1-CD1 3.65Å; I117-Y151 HydrophobicContact CD1-CD1 3.79Å; I117-Y151 HydrophobicContact CD1-CD2 4.38Å; I117-Y151 HydrophobicContact CD1-CE1 3.88Å; I117-Y151 HydrophobicContact CD1-CE2 4.47Å; I117-Y151 HydrophobicContact CD1-CG 4.06Å; I117-Y151 HydrophobicContact CG2-CE1 4.05Å; I117-L177 HydrophobicContact CD1-CD1 4.07Å; I117-L177 HydrophobicContact CD1-CD2 3.64Å; I117-L177 HydrophobicContact CG1-CD2 3.72Å |
| 118 | R | 95.8 | Very high | 95.6 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 127.8 | 168.4 | -67 | 172.7 | 175.3 | 156.3 | 1.3 | 110.2 | N111 V120 I127 H129 E130 | N111-R118 HydrophobicContact CB-CB 4.3Å; N111-R118 PolarHBondContact N-O 3.34Å; N111-R118 PolarHBondContact O-N 2.76Å; R118-V120 HydrophobicContact CB-CG2 4.42Å; R118-I127 HydrophobicContact CB-CG2 4.3Å; R118-I127 HydrophobicContact CG-CG2 4.43Å; R118-H129 CarbonylContact C-O 3.48Å; R118-H129 WeakPolarHBondContact CA-O 3.46Å; R118-E130 HydrophobicContact CG-CB 4.23Å; R118-E130 HydrophobicContact CG-CG 3.98Å; R118-E130 IonicContact CZ-OE1 3.18Å; R118-E130 IonicContact NE-OE1 3Å; R118-E130 PolarHBondContact NE-OE1 2.97Å; R118-E130 IonicContact NE-OE2 2.7Å; R118-E130 PolarHBondContact NE-OE2 3.04Å; R118-E130 IonicContact NH2-OE1 2.71Å; R118-E130 PolarHBondContact NH2-OE1 3.06Å; R118-E130 IonicContact NH2-OE2 3.4Å |
| 119 | I | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.7 | 167.6 | -66.8 | 178 | 0 | 0 | 0 | 107.9 | L69 I108 I127 E128 H129 Y151 F162 I164 | L69-I119 HydrophobicContact CD1-CD1 4.45Å; I108-I119 HydrophobicContact CB-CG2 4.11Å; I108-I119 HydrophobicContact CD1-CD1 4.49Å; I108-I119 HydrophobicContact CD1-CG1 4.39Å; I108-I119 HydrophobicContact CD1-CG2 3.86Å; I108-I119 HydrophobicContact CG2-CG2 3.95Å; I119-I127 CarbonylContact O-C 3.58Å; I119-I127 WeakPolarHBondContact O-CA 3.16Å; I119-E128 PolarHBondContact O-N 3.24Å; I119-H129 HydrophobicContact CB-CB 4.18Å; I119-H129 HydrophobicContact CD1-CB 4.42Å; I119-H129 PolarHBondContact N-O 3.34Å; I119-H129 PolarHBondContact O-N 3.01Å; I119-Y151 WeakPolarHBondContact CD1-OH 3.42Å; I119-F162 HydrophobicContact CD1-CD1 3.55Å; I119-F162 HydrophobicContact CD1-CE1 3.95Å; I119-I164 HydrophobicContact CD1-CD1 4.12Å |
| 120 | V | 96.7 | Very high | 95.3 | Very high | 23 Ų | 23 | 45.9 Ų | 45.9 | 14% | 0.139 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.3 | -179.2 | -169.7 | 0 | 0 | 0 | 0 | 109.1 | I108 W109 R118 G125 V126 I127 | I108-V120 CarbonylContact C-O 3.55Å; I108-V120 VanDerWaalsContact CA-O 3.28Å; I108-V120 WeakPolarHBondContact CA-O 3.44Å; W109-V120 HydrophobicContact CB-CB 4.34Å; W109-V120 PolarHBondContact N-O 2.7Å; W109-V120 PolarHBondContact O-N 2.83Å; R118-V120 HydrophobicContact CB-CG2 4.42Å; V120-G125 VanDerWaalsContact CG1-C 3.49Å; V120-G125 VanDerWaalsContact CG1-O 3.28Å; V120-G125 WeakPolarHBondContact CG1-O 3.4Å; V120-V126 WeakPolarHBondContact CA-O 3.25Å; V120-V126 WeakPolarHBondContact CG1-O 3.45Å; V120-I127 HydrophobicContact CG2-CG1 4.06Å |
| 121 | D | 97.1 | Very high | 95.2 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 132.4 | 179.5 | 170.5 | 65.6 | 0 | 0 | 0 | 111.9 | Q106 K123 S124 G125 V126 E128 | Q106-D121 PolarHBondContact NE2-OD1 2.64Å; D121-K123 PolarHBondContact O-N 3.4Å; D121-K123 WeakPolarHBondContact OD2-CA 3.31Å; D121-K123 WeakPolarHBondContact OD2-CB 3.36Å; D121-K123 PolarHBondContact OD2-N 2.65Å; D121-K123 VanDerWaalsContact OD2-N 3.1Å; D121-S124 WeakPolarHBondContact CB-OG 3.44Å; D121-S124 WeakPolarHBondContact OD2-CB 3.34Å; D121-S124 PolarHBondContact OD2-N 2.81Å; D121-S124 PolarHBondContact OD2-OG 3.09Å; D121-G125 WeakPolarHBondContact O-CA 3.39Å; D121-G125 PolarHBondContact O-N 3.1Å; D121-V126 PolarHBondContact N-O 2.96Å; D121-E128 HydrophobicContact CB-CG 4.31Å |
| 122 | E | 95.2 | Very high | 95 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 19% | 0.192 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -13.1 | -176.1 | -174.2 | 174.3 | 174.1 | 0 | 0 | 112.8 | K66 R107 | K66-E122 IonicContact NZ-OE1 3.7Å; K66-E122 PolarHBondContact NZ-OE1 3.39Å; R107-E122 HydrophobicContact CB-CB 3.96Å; R107-E122 IonicContact CZ-OE1 3.14Å; R107-E122 VanDerWaalsContact CZ-OE1 3.31Å; R107-E122 IonicContact CZ-OE2 3.43Å; R107-E122 IonicContact NE-OE2 2.76Å; R107-E122 PolarHBondContact NE-OE2 2.86Å; R107-E122 IonicContact NH1-OE1 2.54Å; R107-E122 PolarHBondContact NH1-OE1 2.85Å; R107-E122 IonicContact NH1-OE2 2.78Å; R107-E122 IonicContact NH2-OE1 2.72Å; R107-E122 PolarHBondContact NH2-OE1 2.99Å; R107-E122 IonicContact NH2-OE2 3.83Å; R107-E122 PolarHBondContact NH2-OE2 2.96Å; R107-E122 WeakPolarHBondContact O-CB 3.44Å; R107-E122 PolarHBondContact O-N 3.33Å |
| 123 | K | 94.1 | Very high | 94.8 | Very high | 191 Ų | 191 | 50.7 Ų | 50.7 | 83% | 0.83 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -44.3 | 178 | -64.6 | 179.5 | 173.1 | -177.3 | 0 | 113.4 | D121 | D121-K123 PolarHBondContact O-N 3.4Å; D121-K123 WeakPolarHBondContact OD2-CA 3.31Å; D121-K123 WeakPolarHBondContact OD2-CB 3.36Å; D121-K123 PolarHBondContact OD2-N 2.65Å; D121-K123 VanDerWaalsContact OD2-N 3.1Å |
| 124 | S | 94 | Very high | 94.6 | Very high | 72 Ų | 72 | 56 Ų | 56 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -23.2 | -173.6 | 60.2 | 0 | 0 | 0 | 0 | 113.4 | D121 V126 | D121-S124 WeakPolarHBondContact CB-OG 3.44Å; D121-S124 WeakPolarHBondContact OD2-CB 3.34Å; D121-S124 PolarHBondContact OD2-N 2.81Å; D121-S124 PolarHBondContact OD2-OG 3.09Å; S124-V126 PolarHBondContact O-N 2.94Å; S124-V126 PolarHBondContact OG-N 3.41Å |
| 125 | G | 93.2 | Very high | 94.5 | Very high | 56 Ų | 56 | 59.7 Ų | 59.7 | 58% | 0.577 | 32% | 0.32 | S | S | * | . | trans | 72.5 | 6.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | V120 D121 | V120-G125 VanDerWaalsContact CG1-C 3.49Å; V120-G125 VanDerWaalsContact CG1-O 3.28Å; V120-G125 WeakPolarHBondContact CG1-O 3.4Å; D121-G125 WeakPolarHBondContact O-CA 3.39Å; D121-G125 PolarHBondContact O-N 3.1Å | ||
| 126 | V | 95.8 | Very high | 94.6 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 53% | 0.533 | 31% | 0.306 | S | S | . | . | trans | -78.6 | 137.6 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 110 | V120 D121 S124 E128 | V120-V126 WeakPolarHBondContact CA-O 3.25Å; V120-V126 WeakPolarHBondContact CG1-O 3.45Å; D121-V126 PolarHBondContact N-O 2.96Å; S124-V126 PolarHBondContact O-N 2.94Å; S124-V126 PolarHBondContact OG-N 3.41Å; V126-E128 PolarHBondContact O-N 2.97Å | ||
| 127 | I | 95.4 | Very high | 94.5 | Very high | 83 Ų | 83 | 60.3 Ų | 60.3 | 43% | 0.426 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 111.6 | 170.1 | -53.6 | 171.1 | 0 | 0 | 0 | 107.3 | R118 I119 V120 E130 | R118-I127 HydrophobicContact CB-CG2 4.3Å; R118-I127 HydrophobicContact CG-CG2 4.43Å; I119-I127 CarbonylContact O-C 3.58Å; I119-I127 WeakPolarHBondContact O-CA 3.16Å; V120-I127 HydrophobicContact CG2-CG1 4.06Å; I127-E130 HydrophobicContact CG2-CB 4.32Å |
| 128 | E | 94.7 | Very high | 94.5 | Very high | 75 Ų | 75 | 61.1 Ų | 61.1 | 35% | 0.35 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -35.2 | -178.7 | -63.5 | -177 | 133.2 | 0 | 0 | 111.7 | Q106 I119 D121 V126 | Q106-E128 PolarHBondContact NE2-OE1 3.37Å; Q106-E128 PolarHBondContact NE2-OE2 2.66Å; I119-E128 PolarHBondContact O-N 3.24Å; D121-E128 HydrophobicContact CB-CG 4.31Å; V126-E128 PolarHBondContact O-N 2.97Å |
| 129 | H | 94.3 | Very high | 94.5 | Very high | 57 Ų | 57 | 60 Ų | 60 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 136.3 | 177.1 | -50.8 | -85.4 | 0 | 0 | 0 | 110.6 | R118 I119 H131 F162 | R118-H129 CarbonylContact C-O 3.48Å; R118-H129 WeakPolarHBondContact CA-O 3.46Å; I119-H129 HydrophobicContact CB-CB 4.18Å; I119-H129 HydrophobicContact CD1-CB 4.42Å; I119-H129 PolarHBondContact N-O 3.34Å; I119-H129 PolarHBondContact O-N 3.01Å; H129-H131 WeakPolarHBondContact CB-NE2 3.09Å; H129-F162 HydrophobicContact CB-CE1 4.22Å; H129-F162 AromaticContact CD2-CE1 3.92Å; H129-F162 AromaticContact CG-CE1 3.76Å; H129-F162 AromaticContact ND1-CE1 3.9Å; H129-F162 AromaticContact ND1-CZ 3.98Å |
| 130 | E | 95 | Very high | 94.4 | Very high | 93 Ų | 93 | 60.3 Ų | 60.3 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 119.9 | 173.2 | 175 | 158 | -161 | 0 | 0 | 109.7 | R118 I127 | R118-E130 HydrophobicContact CG-CB 4.23Å; R118-E130 HydrophobicContact CG-CG 3.98Å; R118-E130 IonicContact CZ-OE1 3.18Å; R118-E130 IonicContact NE-OE1 3Å; R118-E130 PolarHBondContact NE-OE1 2.97Å; R118-E130 IonicContact NE-OE2 2.7Å; R118-E130 PolarHBondContact NE-OE2 3.04Å; R118-E130 IonicContact NH2-OE1 2.71Å; R118-E130 PolarHBondContact NH2-OE1 3.06Å; R118-E130 IonicContact NH2-OE2 3.4Å; I127-E130 HydrophobicContact CG2-CB 4.32Å |
| 131 | H | 95 | Very high | 94.4 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 10% | 0.102 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 106.6 | -178.4 | -49.6 | -79.3 | 0 | 0 | 0 | 108.9 | G116 I117 H129 I136 Y151 C153 F162 | G116-H131 WeakPolarHBondContact CA-O 3.41Å; I117-H131 PolarHBondContact N-O 3.25Å; I117-H131 PolarHBondContact O-N 3.23Å; H129-H131 WeakPolarHBondContact CB-NE2 3.09Å; H131-I136 HydrophobicContact CB-CD1 4.21Å; H131-I136 HydrophobicContact CB-CG1 4.01Å; H131-Y151 AromaticContact CD2-CE2 3.73Å; H131-Y151 AromaticContact CD2-CZ 3.76Å; H131-Y151 PolarHBondContact CD2-OH 2.9Å; H131-Y151 AromaticContact NE2-CE2 3.94Å; H131-Y151 AromaticContact NE2-CZ 3.93Å; H131-Y151 PolarHBondContact NE2-OH 2.92Å; H131-C153 HydrophobicContact CB-CB 4.49Å; H131-C153 PolarHBondContact CE1-SG 2.66Å; H131-C153 PolarHBondContact ND1-SG 2.96Å; H131-F162 AromaticContact CE1-CE1 3.87Å; H131-F162 AromaticContact CE1-CE2 3.48Å; H131-F162 VanDerWaalsContact CE1-CE2 3.48Å; H131-F162 WeakPolarHBondContact CE1-CE2 3.11Å; H131-F162 AromaticContact CE1-CZ 3.33Å; H131-F162 WeakPolarHBondContact CE1-CZ 3.24Å; H131-F162 AromaticContact NE2-CD1 3.97Å; H131-F162 AromaticContact NE2-CE1 3.56Å; H131-F162 AromaticContact NE2-CE2 3.87Å; H131-F162 AromaticContact NE2-CZ 3.53Å |
| 132 | V | 93.6 | Very high | 94.3 | Very high | 71 Ų | 71 | 64.8 Ų | 64.8 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 141.8 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | S115 N134 K135 | S115-V132 VanDerWaalsContact O-CA 3.31Å; S115-V132 WeakPolarHBondContact O-CA 3.37Å; V132-N134 HydrophobicContact CG1-CB 4.48Å; V132-N134 PolarHBondContact O-N 3.36Å; V132-N134 VanDerWaalsContact O-N 3.1Å; V132-K135 WeakPolarHBondContact O-CA 3.33Å; V132-K135 WeakPolarHBondContact O-CB 3.49Å; V132-K135 PolarHBondContact O-N 3.28Å |
| 133 | V | 92.1 | Very high | 94.2 | Very high | 22 Ų | 22 | 68.7 Ų | 68.7 | 13% | 0.133 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -44 | -46.7 | 178.5 | 174.4 | 0 | 0 | 0 | 0 | 112.5 | S115 G116 K135 I136 L180 F181 I184 | S115-V133 PolarHBondContact O-N 2.95Å; G116-V133 VanDerWaalsContact CA-CG2 3.48Å; V133-K135 PolarHBondContact O-N 2.94Å; V133-I136 PolarHBondContact O-N 3.11Å; V133-I136 VanDerWaalsContact O-N 3.09Å; V133-L180 HydrophobicContact CG2-CD2 4.34Å; V133-F181 HydrophobicContact CG1-CD1 3.84Å; V133-F181 HydrophobicContact CG1-CE1 3.89Å; V133-I184 HydrophobicContact CB-CD1 4.23Å; V133-I184 HydrophobicContact CG1-CD1 3.93Å; V133-I184 HydrophobicContact CG1-CG2 4.46Å; V133-I184 HydrophobicContact CG2-CD1 3.64Å |
| 134 | N | 90.9 | Very high | 94.2 | Very high | 110 Ų | 110 | 63.5 Ų | 63.5 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -68.6 | -2.5 | -178.9 | -144.3 | 102.6 | 0 | 0 | 0 | 115 | V132 R188 | V132-N134 HydrophobicContact CG1-CB 4.48Å; V132-N134 PolarHBondContact O-N 3.36Å; V132-N134 VanDerWaalsContact O-N 3.1Å; N134-R188 PolarHBondContact OD1-NH1 3.35Å; N134-R188 PolarHBondContact OD1-NH2 3.43Å |
| 135 | K | 91.9 | Very high | 94.3 | Very high | 127 Ų | 127 | 61.7 Ų | 61.7 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -110.4 | 0.8 | 175 | -62.8 | -171.2 | 176.4 | -172.8 | 0 | 112.9 | V132 V133 C153 G154 | V132-K135 WeakPolarHBondContact O-CA 3.33Å; V132-K135 WeakPolarHBondContact O-CB 3.49Å; V132-K135 PolarHBondContact O-N 3.28Å; V133-K135 PolarHBondContact O-N 2.94Å; K135-C153 CarbonylContact O-C 3.59Å; K135-C153 WeakPolarHBondContact O-CA 3.26Å; K135-C153 WeakPolarHBondContact O-CB 3.24Å; K135-G154 PolarHBondContact O-N 3.29Å |
| 136 | I | 94 | Very high | 94.4 | Very high | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.082 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 109.8 | 178.9 | -56.2 | 162.9 | 0 | 0 | 0 | 108 | I117 H131 V133 Y151 C153 F181 | I117-I136 HydrophobicContact CB-CD1 4.13Å; I117-I136 HydrophobicContact CD1-CD1 3.67Å; I117-I136 HydrophobicContact CG1-CD1 3.65Å; H131-I136 HydrophobicContact CB-CD1 4.21Å; H131-I136 HydrophobicContact CB-CG1 4.01Å; V133-I136 PolarHBondContact O-N 3.11Å; V133-I136 VanDerWaalsContact O-N 3.09Å; I136-Y151 HydrophobicContact CG2-CD2 4.34Å; I136-C153 HydrophobicContact CG1-CB 4.23Å; I136-F181 HydrophobicContact CB-CZ 3.99Å; I136-F181 HydrophobicContact CD1-CE1 4.47Å; I136-F181 HydrophobicContact CD1-CZ 4.33Å; I136-F181 HydrophobicContact CG2-CE2 4.43Å; I136-F181 HydrophobicContact CG2-CZ 3.8Å |
| 137 | S | 93.2 | Very high | 94.4 | Very high | 53 Ų | 53 | 65.1 Ų | 65.1 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -30.1 | -170.1 | -53.8 | 0 | 0 | 0 | 0 | 113.2 | A78 V152 | A78-S137 WeakPolarHBondContact O-CB 3.35Å; S137-V152 PolarHBondContact N-O 3.08Å |
| 138 | F | 95.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 155.4 | -176.4 | -168.5 | -121.6 | 0 | 0 | 0 | 113.2 | R79 D81 A140 Y151 V152 | R79-F138 HydrophobicContact CB-CB 4.04Å; R79-F138 HydrophobicContact CB-CD2 4.33Å; R79-F138 HydrophobicContact CB-CG 4.16Å; R79-F138 HydrophobicContact CG-CB 4.19Å; R79-F138 HydrophobicContact CG-CD1 4.38Å; R79-F138 HydrophobicContact CG-CD2 3.55Å; R79-F138 HydrophobicContact CG-CE2 3.96Å; R79-F138 HydrophobicContact CG-CG 3.79Å; D81-F138 WeakPolarHBondContact OD1-CZ 3.48Å; F138-A140 HydrophobicContact CD1-CB 4.32Å; F138-A140 HydrophobicContact CE1-CB 3.98Å; F138-Y151 CarbonylContact O-C 3.51Å; F138-Y151 WeakPolarHBondContact O-CA 3.32Å; F138-Y151 WeakPolarHBondContact O-CB 3.41Å; F138-V152 HydrophobicContact CB-CB 4.18Å; F138-V152 HydrophobicContact CB-CG2 4.23Å; F138-V152 PolarHBondContact N-O 2.83Å; F138-V152 PolarHBondContact O-N 3.18Å |
| 139 | I | 95.8 | Very high | 94.7 | Very high | 28 Ų | 28 | 57.8 Ų | 57.8 | 14% | 0.144 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 115.3 | 173.2 | -57.7 | 165.5 | 0 | 0 | 0 | 108.6 | F149 G150 V174 L177 F181 | I139-F149 HydrophobicContact CG2-CD2 4.44Å; I139-G150 CarbonylContact C-O 3.51Å; I139-G150 WeakPolarHBondContact CA-O 3.25Å; I139-V174 HydrophobicContact CG2-CG1 4.05Å; I139-V174 HydrophobicContact CG2-CG2 4.44Å; I139-L177 HydrophobicContact CD1-CB 3.51Å; I139-L177 HydrophobicContact CD1-CD1 3.75Å; I139-L177 HydrophobicContact CD1-CG 4.21Å; I139-L177 HydrophobicContact CG1-CD1 4.34Å; I139-L177 HydrophobicContact CG2-CD1 4.45Å; I139-F181 HydrophobicContact CD1-CD2 4.26Å; I139-F181 HydrophobicContact CD1-CE2 3.52Å; I139-F181 HydrophobicContact CD1-CZ 4.13Å; I139-F181 HydrophobicContact CG1-CE2 4.22Å |
| 140 | A | 95.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 55 Ų | 55 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.3 | C84 F138 G150 F161 | C84-A140 HydrophobicContact CB-CB 3.36Å; F138-A140 HydrophobicContact CD1-CB 4.32Å; F138-A140 HydrophobicContact CE1-CB 3.98Å; A140-G150 PolarHBondContact N-O 2.89Å; A140-G150 PolarHBondContact O-N 3.46Å; A140-F161 HydrophobicContact CB-CE2 4.08Å |
| 141 | R | 95.4 | Very high | 94.9 | Very high | 111 Ų | 111 | 50.6 Ų | 50.6 | 42% | 0.419 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 140.3 | 171.9 | -67.8 | 177.7 | 174.9 | -144.7 | -14.8 | 109.8 | V143 E171 V174 | R141-V143 PolarHBondContact O-N 3.28Å; R141-E171 IonicContact CZ-OE1 2.89Å; R141-E171 IonicContact CZ-OE2 2.6Å; R141-E171 IonicContact NE-OE2 3.67Å; R141-E171 IonicContact NH1-OE1 2.63Å; R141-E171 PolarHBondContact NH1-OE1 3.16Å; R141-E171 IonicContact NH1-OE2 3.15Å; R141-E171 PolarHBondContact NH1-OE2 3.32Å; R141-E171 VanDerWaalsContact NH2-CD 3.29Å; R141-E171 IonicContact NH2-OE1 2.66Å; R141-E171 PolarHBondContact NH2-OE1 3.35Å; R141-E171 IonicContact NH2-OE2 3.38Å; R141-E171 PolarHBondContact NH2-OE2 2.81Å; R141-V174 HydrophobicContact CG-CG1 4.2Å |
| 142 | D | 95.9 | Very high | 94.9 | Very high | 19 Ų | 19 | 49.6 Ų | 49.6 | 10% | 0.102 | 26% | 0.257 | C | S | . | . | trans | -91.1 | 101.6 | 178.7 | -171.6 | -18.4 | 0 | 0 | 0 | 111.3 | M88 K92 T144 D145 A148 | M88-D142 WeakPolarHBondContact CG-OD2 3.05Å; K92-D142 WeakPolarHBondContact CE-OD2 3.46Å; K92-D142 IonicContact NZ-OD1 3.24Å; K92-D142 PolarHBondContact NZ-OD1 3.12Å; K92-D142 IonicContact NZ-OD2 2.83Å; K92-D142 PolarHBondContact NZ-OD2 3.03Å; D142-T144 PolarHBondContact O-N 3.41Å; D142-T144 VanDerWaalsContact O-N 3.11Å; D142-T144 WeakPolarHBondContact OD1-CA 3.49Å; D142-T144 WeakPolarHBondContact OD1-CB 3.19Å; D142-T144 PolarHBondContact OD1-N 3.2Å; D142-T144 PolarHBondContact OD1-OG1 3.04Å; D142-D145 CarbonylContact O-C 3.54Å; D142-D145 PolarHBondContact O-N 3.04Å; D142-D145 PolarHBondContact OD1-N 2.97Å; D142-A148 HydrophobicContact CB-CB 3.82Å; D142-A148 WeakPolarHBondContact CB-O 3.32Å; D142-A148 VanDerWaalsContact OD2-CB 3.23Å; D142-A148 WeakPolarHBondContact OD2-CB 3.37Å | ||
| 143 | V | 92.7 | Very high | 95 | Very high | 123 Ų | 123 | 46.4 Ų | 46.4 | 75% | 0.745 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -17.9 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 113.7 | R141 | R141-V143 PolarHBondContact O-N 3.28Š|
| 144 | T | 94.5 | Very high | 94.9 | Very high | 82 Ų | 82 | 46.4 Ų | 46.4 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -13 | -177.9 | 70.8 | 0 | 0 | 0 | 0 | 113.9 | M89 K92 D142 | M89-T144 HydrophobicContact CE-CG2 4.4Å; K92-T144 PolarHBondContact NZ-OG1 3.39Å; D142-T144 PolarHBondContact O-N 3.41Å; D142-T144 VanDerWaalsContact O-N 3.11Å; D142-T144 WeakPolarHBondContact OD1-CA 3.49Å; D142-T144 WeakPolarHBondContact OD1-CB 3.19Å; D142-T144 PolarHBondContact OD1-N 3.2Å; D142-T144 PolarHBondContact OD1-OG1 3.04Å |
| 145 | D | 95.2 | Very high | 94.6 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | trans | -157.2 | 101.1 | -179.1 | -171.8 | -10.5 | 0 | 0 | 0 | 110.2 | D142 R147 A148 K165 | D142-D145 CarbonylContact O-C 3.54Å; D142-D145 PolarHBondContact O-N 3.04Å; D142-D145 PolarHBondContact OD1-N 2.97Å; D145-R147 PolarHBondContact O-N 3.36Å; D145-R147 PolarHBondContact OD1-N 2.77Å; D145-R147 IonicContact OD1-NE 3.3Å; D145-A148 HydrophobicContact CB-CB 4.11Å; D145-A148 PolarHBondContact O-N 2.9Å; D145-K165 IonicContact OD1-NZ 2.67Å; D145-K165 PolarHBondContact OD1-NZ 3.05Å; D145-K165 VanDerWaalsContact OD1-NZ 3.15Å; D145-K165 IonicContact OD2-NZ 3.28Å; D145-K165 PolarHBondContact OD2-NZ 3.13Å | ||
| 146 | N | 96.3 | Very high | 94.2 | Very high | 105 Ų | 105 | 47.2 Ų | 47.2 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 7.1 | -178.4 | 66 | 9.8 | 0 | 0 | 0 | 115.8 | Q169 A170 | N146-Q169 WeakPolarHBondContact O-CA 3.43Å; N146-A170 PolarHBondContact O-N 2.79Å |
| 147 | R | 96.6 | Very high | 93.7 | Very high | 111 Ų | 111 | 49.5 Ų | 49.5 | 42% | 0.419 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 17 | 170.3 | -53.6 | 175.7 | -69.2 | 176.9 | -6.6 | 111.8 | D145 K165 T166 Q168 | D145-R147 PolarHBondContact O-N 3.36Å; D145-R147 PolarHBondContact OD1-N 2.77Å; D145-R147 IonicContact OD1-NE 3.3Å; R147-K165 CarbonylContact O-C 3.58Å; R147-K165 VanDerWaalsContact O-CA 3.24Å; R147-K165 WeakPolarHBondContact O-CA 3.49Å; R147-K165 VanDerWaalsContact O-CG 3.29Å; R147-K165 WeakPolarHBondContact O-CG 3.38Å; R147-T166 PolarHBondContact O-N 2.78Å; R147-T166 PolarHBondContact O-OG1 2.86Å; R147-T166 VanDerWaalsContact O-OG1 3.11Å; R147-Q168 VanDerWaalsContact CB-O 3.32Å; R147-Q168 WeakPolarHBondContact CB-O 3.4Å; R147-Q168 VanDerWaalsContact CG-O 3.25Å; R147-Q168 WeakPolarHBondContact CG-O 3.44Å |
| 148 | A | 96.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 3% | 0.025 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 149.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I70 M88 D142 D145 I164 | I70-A148 HydrophobicContact CD1-CB 4.17Å; M88-A148 HydrophobicContact CE-CB 4.49Å; D142-A148 HydrophobicContact CB-CB 3.82Å; D142-A148 WeakPolarHBondContact CB-O 3.32Å; D142-A148 VanDerWaalsContact OD2-CB 3.23Å; D142-A148 WeakPolarHBondContact OD2-CB 3.37Å; D145-A148 HydrophobicContact CB-CB 4.11Å; D145-A148 PolarHBondContact O-N 2.9Å; A148-I164 VanDerWaalsContact CA-O 3.28Å; A148-I164 WeakPolarHBondContact CA-O 3.31Å |
| 149 | F | 97.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 170.4 | 171.3 | 75.6 | -74 | 0 | 0 | 0 | 107 | M88 I139 Y151 I164 T166 A170 L173 V174 L177 | M88-F149 VanDerWaalsContact CE-O 3.31Å; M88-F149 WeakPolarHBondContact CE-O 3.33Å; I139-F149 HydrophobicContact CG2-CD2 4.44Å; F149-Y151 HydrophobicContact CE2-CD1 4.17Å; F149-I164 HydrophobicContact CD1-CB 4.24Å; F149-I164 HydrophobicContact CD1-CG2 4.46Å; F149-I164 HydrophobicContact CE1-CB 3.65Å; F149-I164 HydrophobicContact CE1-CG2 3.6Å; F149-I164 HydrophobicContact CZ-CB 3.91Å; F149-I164 HydrophobicContact CZ-CD1 4.08Å; F149-I164 HydrophobicContact CZ-CG1 4.48Å; F149-I164 HydrophobicContact CZ-CG2 4.06Å; F149-I164 PolarHBondContact N-O 3.23Å; F149-I164 PolarHBondContact O-N 3.4Å; F149-I164 VanDerWaalsContact O-O 3.09Å; F149-T166 HydrophobicContact CD1-CG2 4.27Å; F149-T166 HydrophobicContact CE1-CG2 3.97Å; F149-A170 HydrophobicContact CB-CB 4.17Å; F149-A170 HydrophobicContact CD1-CB 3.95Å; F149-A170 HydrophobicContact CG-CB 4.42Å; F149-L173 HydrophobicContact CD2-CD2 4.43Å; F149-L173 HydrophobicContact CE1-CD1 3.74Å; F149-L173 HydrophobicContact CE1-CD2 3.84Å; F149-L173 HydrophobicContact CE1-CG 4.41Å; F149-L173 HydrophobicContact CE2-CD2 3.65Å; F149-L173 HydrophobicContact CZ-CD1 3.85Å; F149-L173 HydrophobicContact CZ-CD2 3.32Å; F149-L173 HydrophobicContact CZ-CG 4.26Å; F149-V174 HydrophobicContact CB-CG2 3.82Å; F149-V174 HydrophobicContact CD2-CG2 4.09Å; F149-V174 HydrophobicContact CG-CG2 3.96Å; F149-L177 HydrophobicContact CE2-CD1 4.18Å |
| 150 | G | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 169.2 | 164 | 0 | 0 | 0 | 0 | 0 | 111.9 | I139 A140 F162 | I139-G150 CarbonylContact C-O 3.51Å; I139-G150 WeakPolarHBondContact CA-O 3.25Å; A140-G150 PolarHBondContact N-O 2.89Å; A140-G150 PolarHBondContact O-N 3.46Å; G150-F162 WeakPolarHBondContact CA-O 3.37Å |
| 151 | Y | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 147.7 | 170.3 | 60.9 | -94.2 | 0 | 0 | 0 | 109.8 | I117 I119 H131 I136 F138 F149 C153 F161 F162 I164 | I117-Y151 HydrophobicContact CD1-CD1 3.79Å; I117-Y151 HydrophobicContact CD1-CD2 4.38Å; I117-Y151 HydrophobicContact CD1-CE1 3.88Å; I117-Y151 HydrophobicContact CD1-CE2 4.47Å; I117-Y151 HydrophobicContact CD1-CG 4.06Å; I117-Y151 HydrophobicContact CG2-CE1 4.05Å; I119-Y151 WeakPolarHBondContact CD1-OH 3.42Å; H131-Y151 AromaticContact CD2-CE2 3.73Å; H131-Y151 AromaticContact CD2-CZ 3.76Å; H131-Y151 PolarHBondContact CD2-OH 2.9Å; H131-Y151 AromaticContact NE2-CE2 3.94Å; H131-Y151 AromaticContact NE2-CZ 3.93Å; H131-Y151 PolarHBondContact NE2-OH 2.92Å; I136-Y151 HydrophobicContact CG2-CD2 4.34Å; F138-Y151 CarbonylContact O-C 3.51Å; F138-Y151 WeakPolarHBondContact O-CA 3.32Å; F138-Y151 WeakPolarHBondContact O-CB 3.41Å; F149-Y151 HydrophobicContact CE2-CD1 4.17Å; Y151-C153 HydrophobicContact CD2-CB 4.04Å; Y151-C153 HydrophobicContact CE2-CB 4.12Å; Y151-F161 WeakPolarHBondContact O-CA 3.46Å; Y151-F162 HydrophobicContact CD1-CB 4.14Å; Y151-F162 HydrophobicContact CD2-CB 4.12Å; Y151-F162 HydrophobicContact CE1-CB 3.7Å; Y151-F162 HydrophobicContact CE1-CG 4.39Å; Y151-F162 HydrophobicContact CE2-CB 3.67Å; Y151-F162 HydrophobicContact CE2-CD1 4.5Å; Y151-F162 AromaticContact CE2-CD2 3.82Å; Y151-F162 HydrophobicContact CE2-CD2 3.82Å; Y151-F162 AromaticContact CE2-CG 3.73Å; Y151-F162 HydrophobicContact CE2-CG 3.73Å; Y151-F162 HydrophobicContact CG-CB 4.34Å; Y151-F162 VanDerWaalsContact CZ-CB 3.42Å; Y151-F162 AromaticContact CZ-CG 3.64Å; Y151-F162 PolarHBondContact N-O 2.93Å; Y151-F162 PolarHBondContact O-N 3.36Å; Y151-F162 WeakPolarHBondContact OH-CD1 3.49Å; Y151-I164 HydrophobicContact CE1-CD1 3.81Å |
| 152 | V | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 130.2 | 169.1 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | V75 A78 M83 C84 S137 F138 H159 Q160 F161 | V75-V152 HydrophobicContact CG2-CG1 4.05Å; A78-V152 WeakPolarHBondContact O-CB 3.42Å; A78-V152 WeakPolarHBondContact O-CG1 3.42Å; M83-V152 HydrophobicContact CE-CG2 4.01Å; C84-V152 VanDerWaalsContact SG-CG2 3.52Å; S137-V152 PolarHBondContact N-O 3.08Å; F138-V152 HydrophobicContact CB-CB 4.18Å; F138-V152 HydrophobicContact CB-CG2 4.23Å; F138-V152 PolarHBondContact N-O 2.83Å; F138-V152 PolarHBondContact O-N 3.18Å; V152-H159 HydrophobicContact CG1-CB 3.79Å; V152-Q160 WeakPolarHBondContact CA-O 3.42Å; V152-F161 HydrophobicContact CG2-CD2 3.91Å |
| 153 | C | 94.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 147.5 | 172.7 | 65.7 | 0 | 0 | 0 | 0 | 111 | H131 K135 I136 Y151 Q160 F162 | H131-C153 HydrophobicContact CB-CB 4.49Å; H131-C153 PolarHBondContact CE1-SG 2.66Å; H131-C153 PolarHBondContact ND1-SG 2.96Å; K135-C153 CarbonylContact O-C 3.59Å; K135-C153 WeakPolarHBondContact O-CA 3.26Å; K135-C153 WeakPolarHBondContact O-CB 3.24Å; I136-C153 HydrophobicContact CG1-CB 4.23Å; Y151-C153 HydrophobicContact CD2-CB 4.04Å; Y151-C153 HydrophobicContact CE2-CB 4.12Å; C153-Q160 PolarHBondContact N-O 2.72Å; C153-Q160 PolarHBondContact O-N 2.79Å; C153-F162 VanDerWaalsContact SG-CD2 3.54Å; C153-F162 WeakPolarHBondContact SG-CE2 3.29Å |
| 154 | G | 89.9 | Confident | 94.1 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.8 | 173 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K135 Q158 | K135-G154 PolarHBondContact O-N 3.29Å; G154-Q158 VanDerWaalsContact CA-O 3.24Å; G154-Q158 WeakPolarHBondContact CA-O 3.46Å |
| 155 | A | 85.1 | Confident | 94.3 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 53% | 0.529 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 165.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109 | G157 Q158 H159 | A155-G157 PolarHBondContact O-N 2.95Å; A155-Q158 CarbonylContact O-C 3.52Å; A155-Q158 PolarHBondContact O-N 3.05Å; A155-H159 PolarHBondContact O-CE1 2.89Å; A155-H159 PolarHBondContact O-ND1 2.94Å |
| 156 | E | 83.6 | Confident | 94.3 | Very high | 189 Ų | 189 | 40.9 Ų | 40.9 | 88% | 0.883 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 127.1 | 176.3 | -166.1 | 163.9 | -167.1 | 0 | 0 | 111.1 | Q158 | E156-Q158 VanDerWaalsContact C-N 3.27Å; E156-Q158 PolarHBondContact O-N 3.35Å |
| 157 | G | 83.2 | Confident | 94.2 | Very high | 65 Ų | 65 | 39.2 Ų | 39.2 | 67% | 0.67 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 1.2 | -174 | 0 | 0 | 0 | 0 | 0 | 116 | A155 H159 | A155-G157 PolarHBondContact O-N 2.95Å; G157-H159 PolarHBondContact N-NE2 3.27Å |
| 158 | Q | 90.9 | Very high | 94.1 | Very high | 153 Ų | 153 | 41.5 Ų | 41.5 | 72% | 0.715 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 53.9 | 172.9 | -68.3 | -167.8 | -7 | 0 | 0 | 111 | G154 A155 E156 | G154-Q158 VanDerWaalsContact CA-O 3.24Å; G154-Q158 WeakPolarHBondContact CA-O 3.46Å; A155-Q158 CarbonylContact O-C 3.52Å; A155-Q158 PolarHBondContact O-N 3.05Å; E156-Q158 VanDerWaalsContact C-N 3.27Å; E156-Q158 PolarHBondContact O-N 3.35Å |
| 159 | H | 95.6 | Very high | 94 | Very high | 13 Ų | 13 | 47 Ų | 47 | 6% | 0.06 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 132.5 | -179.9 | -55.6 | -63.8 | 0 | 0 | 0 | 111.4 | V75 E77 A78 V152 A155 G157 | V75-H159 HydrophobicContact CG2-CB 3.73Å; V75-H159 WeakPolarHBondContact CG2-O 3.44Å; V75-H159 PolarHBondContact N-O 3.19Å; E77-H159 VanDerWaalsContact C-CD2 3.43Å; A78-H159 PolarHBondContact N-CD2 2.83Å; V152-H159 HydrophobicContact CG1-CB 3.79Å; A155-H159 PolarHBondContact O-CE1 2.89Å; A155-H159 PolarHBondContact O-ND1 2.94Å; G157-H159 PolarHBondContact N-NE2 3.27Å |
| 160 | Q | 96.4 | Very high | 94 | Very high | 73 Ų | 73 | 47.1 Ų | 47.1 | 34% | 0.341 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.1 | 176.5 | -76.3 | 180 | -0.8 | 0 | 0 | 110.5 | I72 D73 D74 V152 C153 F162 | I72-Q160 HydrophobicContact CG2-CB 4.05Å; I72-Q160 HydrophobicContact CG2-CG 4.35Å; D73-Q160 CarbonylContact O-C 3.58Å; D73-Q160 WeakPolarHBondContact O-CA 3.44Å; D74-Q160 VanDerWaalsContact OD1-CG 3.26Å; D74-Q160 WeakPolarHBondContact OD1-CG 3.22Å; D74-Q160 PolarHBondContact OD1-NE2 2.93Å; V152-Q160 WeakPolarHBondContact CA-O 3.42Å; C153-Q160 PolarHBondContact N-O 2.72Å; C153-Q160 PolarHBondContact O-N 2.79Å; Q160-F162 HydrophobicContact CB-CD2 4.2Å; Q160-F162 HydrophobicContact CB-CE2 3.72Å |
| 161 | F | 97.4 | Very high | 94 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 111.9 | 174.9 | -178.2 | -107.9 | 0 | 0 | 0 | 110.8 | I72 D73 V75 C84 M88 L91 A140 Y151 V152 A163 | I72-F161 WeakPolarHBondContact CA-O 3.04Å; D73-F161 PolarHBondContact N-O 2.97Å; D73-F161 PolarHBondContact O-N 2.83Å; V75-F161 HydrophobicContact CG1-CB 3.7Å; V75-F161 HydrophobicContact CG2-CB 4.29Å; C84-F161 HydrophobicContact CB-CD2 4.1Å; C84-F161 HydrophobicContact CB-CE2 3.56Å; C84-F161 HydrophobicContact CB-CZ 3.98Å; C84-F161 WeakPolarHBondContact O-CE1 3.44Å; C84-F161 WeakPolarHBondContact O-CZ 3.2Å; M88-F161 HydrophobicContact CB-CE1 3.9Å; M88-F161 HydrophobicContact CB-CZ 4.23Å; M88-F161 HydrophobicContact CE-CE1 4.06Å; M88-F161 HydrophobicContact CE-CZ 3.99Å; L91-F161 HydrophobicContact CD1-CD1 4.24Å; A140-F161 HydrophobicContact CB-CE2 4.08Å; Y151-F161 WeakPolarHBondContact O-CA 3.46Å; V152-F161 HydrophobicContact CG2-CD2 3.91Å; F161-A163 HydrophobicContact CD1-CB 4.33Å; F161-A163 HydrophobicContact CE1-CB 3.91Å |
| 162 | F | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 105.9 | 178.1 | -80.3 | -105.4 | 0 | 0 | 0 | 109.9 | I72 I119 H129 H131 G150 Y151 C153 Q160 | I72-F162 HydrophobicContact CD1-CD1 4.05Å; I72-F162 HydrophobicContact CD1-CE1 3.34Å; I72-F162 HydrophobicContact CD1-CZ 3.67Å; I72-F162 HydrophobicContact CG1-CD1 3.76Å; I72-F162 HydrophobicContact CG1-CE1 3.57Å; I72-F162 HydrophobicContact CG1-CG 4.34Å; I72-F162 HydrophobicContact CG1-CZ 3.99Å; I72-F162 HydrophobicContact CG2-CD2 4.08Å; I72-F162 HydrophobicContact CG2-CE1 4.25Å; I72-F162 HydrophobicContact CG2-CE2 3.74Å; I72-F162 HydrophobicContact CG2-CG 4.45Å; I72-F162 HydrophobicContact CG2-CZ 3.82Å; I119-F162 HydrophobicContact CD1-CD1 3.55Å; I119-F162 HydrophobicContact CD1-CE1 3.95Å; H129-F162 HydrophobicContact CB-CE1 4.22Å; H129-F162 AromaticContact CD2-CE1 3.92Å; H129-F162 AromaticContact CG-CE1 3.76Å; H129-F162 AromaticContact ND1-CE1 3.9Å; H129-F162 AromaticContact ND1-CZ 3.98Å; H131-F162 AromaticContact CE1-CE1 3.87Å; H131-F162 AromaticContact CE1-CE2 3.48Å; H131-F162 VanDerWaalsContact CE1-CE2 3.48Å; H131-F162 WeakPolarHBondContact CE1-CE2 3.11Å; H131-F162 AromaticContact CE1-CZ 3.33Å; H131-F162 WeakPolarHBondContact CE1-CZ 3.24Å; H131-F162 AromaticContact NE2-CD1 3.97Å; H131-F162 AromaticContact NE2-CE1 3.56Å; H131-F162 AromaticContact NE2-CE2 3.87Å; H131-F162 AromaticContact NE2-CZ 3.53Å; G150-F162 WeakPolarHBondContact CA-O 3.37Å; Y151-F162 HydrophobicContact CD1-CB 4.14Å; Y151-F162 HydrophobicContact CD2-CB 4.12Å; Y151-F162 HydrophobicContact CE1-CB 3.7Å; Y151-F162 HydrophobicContact CE1-CG 4.39Å; Y151-F162 HydrophobicContact CE2-CB 3.67Å; Y151-F162 HydrophobicContact CE2-CD1 4.5Å; Y151-F162 AromaticContact CE2-CD2 3.82Å; Y151-F162 HydrophobicContact CE2-CD2 3.82Å; Y151-F162 AromaticContact CE2-CG 3.73Å; Y151-F162 HydrophobicContact CE2-CG 3.73Å; Y151-F162 HydrophobicContact CG-CB 4.34Å; Y151-F162 VanDerWaalsContact CZ-CB 3.42Å; Y151-F162 AromaticContact CZ-CG 3.64Å; Y151-F162 PolarHBondContact N-O 2.93Å; Y151-F162 PolarHBondContact O-N 3.36Å; Y151-F162 WeakPolarHBondContact OH-CD1 3.49Å; C153-F162 VanDerWaalsContact SG-CD2 3.54Å; C153-F162 WeakPolarHBondContact SG-CE2 3.29Å; Q160-F162 HydrophobicContact CB-CD2 4.2Å; Q160-F162 HydrophobicContact CB-CE2 3.72Å |
| 163 | A | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 124.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I70 G71 M88 L91 F161 | I70-A163 WeakPolarHBondContact CA-O 3.28Å; I70-A163 HydrophobicContact CB-CB 3.75Å; I70-A163 VanDerWaalsContact CB-O 3.22Å; I70-A163 WeakPolarHBondContact CB-O 3.23Å; I70-A163 HydrophobicContact CD1-CB 4.15Å; I70-A163 HydrophobicContact CG1-CB 4.42Å; I70-A163 HydrophobicContact CG2-CB 4.05Å; I70-A163 PolarHBondContact N-O 3.47Å; G71-A163 PolarHBondContact O-N 3.11Å; G71-A163 VanDerWaalsContact O-N 3.13Å; M88-A163 HydrophobicContact CE-CB 3.65Å; M88-A163 HydrophobicContact SD-CB 3.87Å; L91-A163 HydrophobicContact CB-CB 4.34Å; L91-A163 HydrophobicContact CD1-CB 3.5Å; L91-A163 VanDerWaalsContact CD1-CB 3.5Å; F161-A163 HydrophobicContact CD1-CB 4.33Å; F161-A163 HydrophobicContact CE1-CB 3.91Å |
| 164 | I | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.9 | -172.6 | -61 | -175.7 | 0 | 0 | 0 | 110.8 | A67 L69 I108 V110 I119 A148 F149 Y151 | A67-I164 HydrophobicContact CB-CG2 3.61Å; L69-I164 HydrophobicContact CD1-CG1 4.36Å; I108-I164 HydrophobicContact CD1-CD1 4.25Å; I108-I164 HydrophobicContact CD1-CG1 4.5Å; I108-I164 HydrophobicContact CD1-CG2 4.36Å; V110-I164 HydrophobicContact CG2-CD1 3.75Å; V110-I164 HydrophobicContact CG2-CG2 3.98Å; I119-I164 HydrophobicContact CD1-CD1 4.12Å; A148-I164 VanDerWaalsContact CA-O 3.28Å; A148-I164 WeakPolarHBondContact CA-O 3.31Å; F149-I164 HydrophobicContact CD1-CB 4.24Å; F149-I164 HydrophobicContact CD1-CG2 4.46Å; F149-I164 HydrophobicContact CE1-CB 3.65Å; F149-I164 HydrophobicContact CE1-CG2 3.6Å; F149-I164 HydrophobicContact CZ-CB 3.91Å; F149-I164 HydrophobicContact CZ-CD1 4.08Å; F149-I164 HydrophobicContact CZ-CG1 4.48Å; F149-I164 HydrophobicContact CZ-CG2 4.06Å; F149-I164 PolarHBondContact N-O 3.23Å; F149-I164 PolarHBondContact O-N 3.4Å; F149-I164 VanDerWaalsContact O-O 3.09Å; Y151-I164 HydrophobicContact CE1-CD1 3.81Å |
| 165 | K | 97.1 | Very high | 94.2 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 109.7 | 174 | -167.1 | -175.5 | 178.6 | 64.4 | 0 | 110.9 | A67 K68 I70 D145 R147 | A67-K165 CarbonylContact C-O 3.4Å; A67-K165 WeakPolarHBondContact CA-O 3.34Å; K68-K165 PolarHBondContact N-O 3.43Å; K68-K165 PolarHBondContact O-N 3.31Å; I70-K165 HydrophobicContact CD1-CB 4.03Å; I70-K165 HydrophobicContact CG1-CB 3.89Å; D145-K165 IonicContact OD1-NZ 2.67Å; D145-K165 PolarHBondContact OD1-NZ 3.05Å; D145-K165 VanDerWaalsContact OD1-NZ 3.15Å; D145-K165 IonicContact OD2-NZ 3.28Å; D145-K165 PolarHBondContact OD2-NZ 3.13Å; R147-K165 CarbonylContact O-C 3.58Å; R147-K165 VanDerWaalsContact O-CA 3.24Å; R147-K165 WeakPolarHBondContact O-CA 3.49Å; R147-K165 VanDerWaalsContact O-CG 3.29Å; R147-K165 WeakPolarHBondContact O-CG 3.38Å |
| 166 | T | 97.1 | Very high | 94.7 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 155.4 | 176.3 | 48 | 0 | 0 | 0 | 0 | 112.1 | A67 R147 F149 Q168 A170 L173 | A67-T166 HydrophobicContact CB-CG2 4.47Å; R147-T166 PolarHBondContact O-N 2.78Å; R147-T166 PolarHBondContact O-OG1 2.86Å; R147-T166 VanDerWaalsContact O-OG1 3.11Å; F149-T166 HydrophobicContact CD1-CG2 4.27Å; F149-T166 HydrophobicContact CE1-CG2 3.97Å; T166-Q168 CarbonylContact C-O 3.39Å; T166-Q168 WeakPolarHBondContact CB-O 3.12Å; T166-Q168 PolarHBondContact OG1-O 2.94Å; T166-A170 HydrophobicContact CG2-CB 4.26Å; T166-A170 WeakPolarHBondContact OG1-CA 3.44Å; T166-A170 PolarHBondContact OG1-N 3.35Å; T166-L173 HydrophobicContact CG2-CD1 3.69Å |
| 167 | A | 94.1 | Very high | 95.2 | Very high | 69 Ų | 69 | 43.6 Ų | 43.6 | 57% | 0.57 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -69.7 | -36.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K66 | K66-A167 HydrophobicContact CB-CB 4.25Å; K66-A167 WeakPolarHBondContact O-CB 3.5Å; K66-A167 PolarHBondContact O-N 2.92Å |
| 168 | Q | 93.6 | Very high | 95.7 | Very high | 160 Ų | 160 | 44.9 Ų | 44.9 | 75% | 0.748 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -108 | -163 | 172.5 | -58.5 | -172.4 | 9.5 | 0 | 0 | 109.8 | R147 T166 | R147-Q168 VanDerWaalsContact CB-O 3.32Å; R147-Q168 WeakPolarHBondContact CB-O 3.4Å; R147-Q168 VanDerWaalsContact CG-O 3.25Å; R147-Q168 WeakPolarHBondContact CG-O 3.44Å; T166-Q168 CarbonylContact C-O 3.39Å; T166-Q168 WeakPolarHBondContact CB-O 3.12Å; T166-Q168 PolarHBondContact OG1-O 2.94Å |
| 169 | Q | 95.4 | Very high | 95.9 | Very high | 117 Ų | 117 | 38.6 Ų | 38.6 | 55% | 0.547 | 20% | 0.199 | S | C | . | . | trans | -56.2 | 145.9 | 171 | -72.8 | 178.2 | -37.7 | 0 | 0 | 111.5 | N146 E171 P172 | N146-Q169 WeakPolarHBondContact O-CA 3.43Å; Q169-E171 VanDerWaalsContact C-N 3.35Å; Q169-P172 WeakPolarHBondContact O-CD 3.34Å | ||
| 170 | A | 96.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -79.6 | -21.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N146 F149 T166 P172 L173 V174 | N146-A170 PolarHBondContact O-N 2.79Å; F149-A170 HydrophobicContact CB-CB 4.17Å; F149-A170 HydrophobicContact CD1-CB 3.95Å; F149-A170 HydrophobicContact CG-CB 4.42Å; T166-A170 HydrophobicContact CG2-CB 4.26Å; T166-A170 WeakPolarHBondContact OG1-CA 3.44Å; T166-A170 PolarHBondContact OG1-N 3.35Å; A170-P172 VanDerWaalsContact C-CD 3.48Å; A170-L173 WeakPolarHBondContact O-CB 3.45Å; A170-L173 PolarHBondContact O-N 3.23Å; A170-V174 PolarHBondContact O-N 3.06Å |
| 171 | E | 96 | Very high | 95.7 | Very high | 76 Ų | 76 | 37.2 Ų | 37.2 | 36% | 0.355 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -49.1 | -46.3 | -175 | -169.2 | 63 | -163.6 | 0 | 0 | 114.8 | R141 Q169 L173 V174 I175 | R141-E171 IonicContact CZ-OE1 2.89Å; R141-E171 IonicContact CZ-OE2 2.6Å; R141-E171 IonicContact NE-OE2 3.67Å; R141-E171 IonicContact NH1-OE1 2.63Å; R141-E171 PolarHBondContact NH1-OE1 3.16Å; R141-E171 IonicContact NH1-OE2 3.15Å; R141-E171 PolarHBondContact NH1-OE2 3.32Å; R141-E171 VanDerWaalsContact NH2-CD 3.29Å; R141-E171 IonicContact NH2-OE1 2.66Å; R141-E171 PolarHBondContact NH2-OE1 3.35Å; R141-E171 IonicContact NH2-OE2 3.38Å; R141-E171 PolarHBondContact NH2-OE2 2.81Å; Q169-E171 VanDerWaalsContact C-N 3.35Å; E171-L173 VanDerWaalsContact C-N 3.29Å; E171-L173 PolarHBondContact O-N 2.88Å; E171-V174 PolarHBondContact O-N 3.11Å; E171-I175 HydrophobicContact CG-CD1 3.91Å; E171-I175 WeakPolarHBondContact O-CB 3.28Å; E171-I175 VanDerWaalsContact O-CG1 3.25Å; E171-I175 WeakPolarHBondContact O-CG1 3.27Å; E171-I175 PolarHBondContact O-N 2.98Å |
| 172 | P | 95.8 | Very high | 95.6 | Very high | 61 Ų | 61 | 41.7 Ų | 41.7 | 40% | 0.396 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.9 | -31.5 | -179.9 | -19.5 | 34 | 0 | 0 | 0 | 113.4 | Q169 A170 D176 | Q169-P172 WeakPolarHBondContact O-CD 3.34Å; A170-P172 VanDerWaalsContact C-CD 3.48Å; P172-D176 PolarHBondContact O-N 2.9Å |
| 173 | L | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -73.5 | -44.4 | 178.3 | -170.4 | 168.5 | 0 | 0 | 0 | 109.8 | Y65 V110 I112 F149 T166 A170 E171 I175 D176 L177 | Y65-L173 HydrophobicContact CD1-CB 4.3Å; Y65-L173 HydrophobicContact CD1-CD1 4.37Å; Y65-L173 HydrophobicContact CD2-CB 4.35Å; Y65-L173 HydrophobicContact CD2-CD1 4.07Å; Y65-L173 HydrophobicContact CD2-CG 3.89Å; Y65-L173 HydrophobicContact CE1-CB 4.32Å; Y65-L173 HydrophobicContact CE2-CB 4.36Å; Y65-L173 HydrophobicContact CE2-CG 4.24Å; Y65-L173 HydrophobicContact CG-CB 4.32Å; Y65-L173 HydrophobicContact CG-CD1 3.8Å; Y65-L173 HydrophobicContact CG-CG 4.05Å; V110-L173 HydrophobicContact CB-CD1 4.27Å; V110-L173 HydrophobicContact CG1-CD1 4.33Å; I112-L173 HydrophobicContact CD1-CD2 3.77Å; I112-L173 HydrophobicContact CD1-CG 3.79Å; F149-L173 HydrophobicContact CD2-CD2 4.43Å; F149-L173 HydrophobicContact CE1-CD1 3.74Å; F149-L173 HydrophobicContact CE1-CD2 3.84Å; F149-L173 HydrophobicContact CE1-CG 4.41Å; F149-L173 HydrophobicContact CE2-CD2 3.65Å; F149-L173 HydrophobicContact CZ-CD1 3.85Å; F149-L173 HydrophobicContact CZ-CD2 3.32Å; F149-L173 HydrophobicContact CZ-CG 4.26Å; T166-L173 HydrophobicContact CG2-CD1 3.69Å; A170-L173 WeakPolarHBondContact O-CB 3.45Å; A170-L173 PolarHBondContact O-N 3.23Å; E171-L173 VanDerWaalsContact C-N 3.29Å; E171-L173 PolarHBondContact O-N 2.88Å; L173-I175 PolarHBondContact O-N 2.87Å; L173-D176 PolarHBondContact O-N 2.54Å; L173-L177 HydrophobicContact CD2-CD1 3.72Å; L173-L177 HydrophobicContact CD2-CG 4.1Å; L173-L177 WeakPolarHBondContact O-CG 3.2Å; L173-L177 PolarHBondContact O-N 3.15Å |
| 174 | V | 95.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.6 | -30.8 | 175.1 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | I139 R141 F149 A170 E171 K178 | I139-V174 HydrophobicContact CG2-CG1 4.05Å; I139-V174 HydrophobicContact CG2-CG2 4.44Å; R141-V174 HydrophobicContact CG-CG1 4.2Å; F149-V174 HydrophobicContact CB-CG2 3.82Å; F149-V174 HydrophobicContact CD2-CG2 4.09Å; F149-V174 HydrophobicContact CG-CG2 3.96Å; A170-V174 PolarHBondContact O-N 3.06Å; E171-V174 PolarHBondContact O-N 3.11Å; V174-K178 PolarHBondContact O-N 3.36Å |
| 175 | I | 95.2 | Very high | 94.8 | Very high | 58 Ų | 58 | 47.8 Ų | 47.8 | 30% | 0.297 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69.1 | -49.6 | 171.2 | -71.8 | 168.1 | 0 | 0 | 0 | 111 | E171 L173 L177 K178 D179 | E171-I175 HydrophobicContact CG-CD1 3.91Å; E171-I175 WeakPolarHBondContact O-CB 3.28Å; E171-I175 VanDerWaalsContact O-CG1 3.25Å; E171-I175 WeakPolarHBondContact O-CG1 3.27Å; E171-I175 PolarHBondContact O-N 2.98Å; L173-I175 PolarHBondContact O-N 2.87Å; I175-L177 PolarHBondContact O-N 3.03Å; I175-K178 PolarHBondContact O-N 3.26Å; I175-D179 VanDerWaalsContact O-CG 3.24Å; I175-D179 PolarHBondContact O-N 2.84Å |
| 176 | D | 95.5 | Very high | 94.5 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.7 | -36.7 | 176.7 | -98.1 | 21.9 | 0 | 0 | 0 | 112.1 | R57 F58 Y65 I112 P172 L173 D179 L180 | R57-D176 IonicContact CZ-OD1 2.89Å; R57-D176 VanDerWaalsContact CZ-OD1 3.24Å; R57-D176 IonicContact CZ-OD2 2.65Å; R57-D176 VanDerWaalsContact CZ-OD2 3.28Å; R57-D176 IonicContact NE-OD1 3.13Å; R57-D176 PolarHBondContact NE-OD1 2.81Å; R57-D176 IonicContact NE-OD2 3.33Å; R57-D176 PolarHBondContact NE-OD2 3.33Å; R57-D176 IonicContact NH2-OD1 3.89Å; R57-D176 PolarHBondContact NH2-OD1 2.87Å; R57-D176 IonicContact NH2-OD2 3.66Å; R57-D176 PolarHBondContact NH2-OD2 2.87Å; F58-D176 HydrophobicContact CE1-CB 3.98Å; F58-D176 HydrophobicContact CZ-CB 3.95Å; F58-D176 WeakPolarHBondContact CZ-O 3.49Å; Y65-D176 PolarHBondContact OH-OD2 3.34Å; Y65-D176 VanDerWaalsContact OH-OD2 3.05Å; I112-D176 HydrophobicContact CD1-CB 4.04Å; P172-D176 PolarHBondContact O-N 2.9Å; L173-D176 PolarHBondContact O-N 2.54Å; D176-D179 PolarHBondContact O-N 3.4Å; D176-L180 WeakPolarHBondContact O-CB 3.3Å; D176-L180 PolarHBondContact O-N 2.79Å |
| 177 | L | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 174.4 | -70 | 175.8 | 0 | 0 | 0 | 113.3 | I112 I117 I139 F149 L173 I175 L180 F181 | I112-L177 HydrophobicContact CD1-CD2 3.68Å; I112-L177 HydrophobicContact CD1-CG 3.77Å; I112-L177 HydrophobicContact CG1-CD2 3.8Å; I112-L177 HydrophobicContact CG1-CG 4.44Å; I112-L177 HydrophobicContact CG2-CD2 3.98Å; I117-L177 HydrophobicContact CD1-CD1 4.07Å; I117-L177 HydrophobicContact CD1-CD2 3.64Å; I117-L177 HydrophobicContact CG1-CD2 3.72Å; I139-L177 HydrophobicContact CD1-CB 3.51Å; I139-L177 HydrophobicContact CD1-CD1 3.75Å; I139-L177 HydrophobicContact CD1-CG 4.21Å; I139-L177 HydrophobicContact CG1-CD1 4.34Å; I139-L177 HydrophobicContact CG2-CD1 4.45Å; F149-L177 HydrophobicContact CE2-CD1 4.18Å; L173-L177 HydrophobicContact CD2-CD1 3.72Å; L173-L177 HydrophobicContact CD2-CG 4.1Å; L173-L177 WeakPolarHBondContact O-CG 3.2Å; L173-L177 PolarHBondContact O-N 3.15Å; I175-L177 PolarHBondContact O-N 3.03Å; L177-L180 PolarHBondContact O-N 3.34Å; L177-F181 WeakPolarHBondContact O-CG 3.3Å; L177-F181 PolarHBondContact O-N 3.03Å; L177-F181 VanDerWaalsContact O-N 3.11Å |
| 178 | K | 93.3 | Very high | 93.7 | Very high | 91 Ų | 91 | 54.1 Ų | 54.1 | 40% | 0.396 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 173.6 | -76.4 | -169.3 | 171.8 | -156.5 | 0 | 111.1 | V174 I175 L180 F181 Q182 | V174-K178 PolarHBondContact O-N 3.36Å; I175-K178 PolarHBondContact O-N 3.26Å; K178-L180 VanDerWaalsContact C-N 3.33Å; K178-L180 PolarHBondContact O-N 3.27Å; K178-F181 PolarHBondContact O-N 3.42Å; K178-Q182 WeakPolarHBondContact O-CB 2.94Å; K178-Q182 PolarHBondContact O-N 2.86Å |
| 179 | D | 95.1 | Very high | 93.6 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 176.3 | -62.4 | -22.8 | 0 | 0 | 0 | 111.4 | K49 L54 F58 I175 D176 Q182 V183 | K49-D179 WeakPolarHBondContact CD-OD2 3.35Å; K49-D179 IonicContact NZ-OD1 2.79Å; K49-D179 PolarHBondContact NZ-OD1 3.17Å; K49-D179 IonicContact NZ-OD2 3.27Å; K49-D179 PolarHBondContact NZ-OD2 3.3Å; L54-D179 HydrophobicContact CD1-CB 4.04Å; L54-D179 HydrophobicContact CD2-CB 3.79Å; F58-D179 HydrophobicContact CE2-CB 3.84Å; F58-D179 HydrophobicContact CZ-CB 4.07Å; I175-D179 VanDerWaalsContact O-CG 3.24Å; I175-D179 PolarHBondContact O-N 2.84Å; D176-D179 PolarHBondContact O-N 3.4Å; D179-Q182 PolarHBondContact O-N 3.46Å; D179-V183 PolarHBondContact O-N 3.44Å |
| 180 | L | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 177 | 174.8 | 63.9 | 0 | 0 | 0 | 112.1 | F58 I112 S113 M114 V133 D176 L177 K178 Q182 V183 I184 | F58-L180 HydrophobicContact CB-CD1 3.97Å; F58-L180 HydrophobicContact CD2-CB 4.13Å; F58-L180 HydrophobicContact CD2-CD1 4.01Å; F58-L180 HydrophobicContact CE2-CB 4.03Å; F58-L180 HydrophobicContact CG-CD1 4Å; F58-L180 HydrophobicContact CZ-CB 4.36Å; I112-L180 HydrophobicContact CG2-CB 4.36Å; I112-L180 HydrophobicContact CG2-CD2 3.69Å; S113-L180 WeakPolarHBondContact O-CD1 3.44Å; S113-L180 VanDerWaalsContact O-CD2 3.28Å; S113-L180 WeakPolarHBondContact O-CD2 3.47Å; M114-L180 HydrophobicContact CE-CD1 4.32Å; M114-L180 HydrophobicContact SD-CD1 4.34Å; V133-L180 HydrophobicContact CG2-CD2 4.34Å; D176-L180 WeakPolarHBondContact O-CB 3.3Å; D176-L180 PolarHBondContact O-N 2.79Å; L177-L180 PolarHBondContact O-N 3.34Å; K178-L180 VanDerWaalsContact C-N 3.33Å; K178-L180 PolarHBondContact O-N 3.27Å; L180-Q182 VanDerWaalsContact C-N 3.33Å; L180-V183 WeakPolarHBondContact O-CG1 3.24Å; L180-I184 HydrophobicContact CD1-CD1 3.64Å; L180-I184 HydrophobicContact CD1-CG1 4.29Å; L180-I184 HydrophobicContact CG-CD1 4.06Å; L180-I184 WeakPolarHBondContact O-CB 3.42Å; L180-I184 WeakPolarHBondContact O-CG1 3.36Å; L180-I184 PolarHBondContact O-N 3.29Å; L180-I184 VanDerWaalsContact O-N 3.13Å |
| 181 | F | 93.6 | Very high | 92.5 | Very high | 56 Ų | 56 | 58.7 Ų | 58.7 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 178.2 | -64.3 | -15.7 | 0 | 0 | 0 | 111.7 | V133 I136 I139 L177 K178 F185 | V133-F181 HydrophobicContact CG1-CD1 3.84Å; V133-F181 HydrophobicContact CG1-CE1 3.89Å; I136-F181 HydrophobicContact CB-CZ 3.99Å; I136-F181 HydrophobicContact CD1-CE1 4.47Å; I136-F181 HydrophobicContact CD1-CZ 4.33Å; I136-F181 HydrophobicContact CG2-CE2 4.43Å; I136-F181 HydrophobicContact CG2-CZ 3.8Å; I139-F181 HydrophobicContact CD1-CD2 4.26Å; I139-F181 HydrophobicContact CD1-CE2 3.52Å; I139-F181 HydrophobicContact CD1-CZ 4.13Å; I139-F181 HydrophobicContact CG1-CE2 4.22Å; L177-F181 WeakPolarHBondContact O-CG 3.3Å; L177-F181 PolarHBondContact O-N 3.03Å; L177-F181 VanDerWaalsContact O-N 3.11Å; K178-F181 PolarHBondContact O-N 3.42Å; F181-F185 WeakPolarHBondContact O-CB 3.47Å; F181-F185 PolarHBondContact O-N 3.28Å |
| 182 | Q | 93.7 | Very high | 91.8 | Very high | 96 Ų | 96 | 57.5 Ų | 57.5 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.2 | -48 | 176.4 | -168.2 | 65.2 | 61.5 | 0 | 0 | 112.3 | K178 D179 L180 I184 F185 N186 | K178-Q182 WeakPolarHBondContact O-CB 2.94Å; K178-Q182 PolarHBondContact O-N 2.86Å; D179-Q182 PolarHBondContact O-N 3.46Å; L180-Q182 VanDerWaalsContact C-N 3.33Å; Q182-I184 VanDerWaalsContact C-N 3.32Å; Q182-I184 PolarHBondContact O-N 3.29Å; Q182-F185 PolarHBondContact O-N 2.88Å; Q182-N186 PolarHBondContact NE2-OD1 2.89Å; Q182-N186 WeakPolarHBondContact O-CB 3.42Å; Q182-N186 PolarHBondContact O-N 3.43Å; Q182-N186 PolarHBondContact O-OD1 2.92Å |
| 183 | V | 93.4 | Very high | 90.8 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.4 | -34.3 | -179.6 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | D51 L54 F58 M114 D179 L180 M187 | D51-V183 HydrophobicContact CB-CG2 4.03Å; L54-V183 HydrophobicContact CB-CB 3.93Å; L54-V183 HydrophobicContact CB-CG1 4.13Å; L54-V183 HydrophobicContact CB-CG2 4.01Å; L54-V183 HydrophobicContact CD1-CB 4.23Å; F58-V183 HydrophobicContact CD2-CG1 4.34Å; M114-V183 HydrophobicContact CE-CG1 4.35Å; D179-V183 PolarHBondContact O-N 3.44Å; L180-V183 WeakPolarHBondContact O-CG1 3.24Å; V183-M187 VanDerWaalsContact O-CB 3.23Å; V183-M187 WeakPolarHBondContact O-CB 3.42Å; V183-M187 PolarHBondContact O-N 3.47Å |
| 184 | I | 91.9 | Very high | 89 | Confident | 16 Ų | 16 | 63 Ų | 63 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69 | -40 | 174.4 | -71.3 | 173.8 | 0 | 0 | 0 | 111.5 | M114 V133 L180 Q182 M187 R188 | M114-I184 HydrophobicContact SD-CD1 3.75Å; M114-I184 HydrophobicContact SD-CG1 3.44Å; M114-I184 WeakPolarHBondContact SD-CG1 3.33Å; V133-I184 HydrophobicContact CB-CD1 4.23Å; V133-I184 HydrophobicContact CG1-CD1 3.93Å; V133-I184 HydrophobicContact CG1-CG2 4.46Å; V133-I184 HydrophobicContact CG2-CD1 3.64Å; L180-I184 HydrophobicContact CD1-CD1 3.64Å; L180-I184 HydrophobicContact CD1-CG1 4.29Å; L180-I184 HydrophobicContact CG-CD1 4.06Å; L180-I184 WeakPolarHBondContact O-CB 3.42Å; L180-I184 WeakPolarHBondContact O-CG1 3.36Å; L180-I184 PolarHBondContact O-N 3.29Å; L180-I184 VanDerWaalsContact O-N 3.13Å; Q182-I184 VanDerWaalsContact C-N 3.32Å; Q182-I184 PolarHBondContact O-N 3.29Å; I184-M187 PolarHBondContact O-N 3.49Å; I184-R188 WeakPolarHBondContact O-CB 3.36Å; I184-R188 WeakPolarHBondContact O-CG 3.15Å; I184-R188 PolarHBondContact O-N 2.83Å |
| 185 | F | 90.9 | Very high | 87.1 | Confident | 107 Ų | 107 | 66.3 Ų | 66.3 | 47% | 0.469 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 174.2 | -179.5 | -96.1 | 0 | 0 | 0 | 111.4 | F181 Q182 M187 R188 K189 | F181-F185 WeakPolarHBondContact O-CB 3.47Å; F181-F185 PolarHBondContact O-N 3.28Å; Q182-F185 PolarHBondContact O-N 2.88Å; F185-M187 VanDerWaalsContact C-N 3.31Å; F185-M187 PolarHBondContact O-N 2.6Å; F185-R188 PolarHBondContact O-N 3.15Å; F185-K189 VanDerWaalsContact O-CB 3.32Å; F185-K189 WeakPolarHBondContact O-CB 3.46Å; F185-K189 PolarHBondContact O-N 2.98Å |
| 186 | N | 91 | Very high | 85.2 | Confident | 47 Ų | 47 | 70.4 Ų | 70.4 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 176.6 | -66.6 | 4 | 0 | 0 | 0 | 111.7 | D51 Q182 K190 | D51-N186 VanDerWaalsContact CG-ND2 3.33Å; D51-N186 PolarHBondContact OD1-ND2 2.95Å; D51-N186 VanDerWaalsContact OD1-ND2 3.08Å; D51-N186 WeakPolarHBondContact OD2-CB 3.27Å; D51-N186 PolarHBondContact OD2-ND2 3Å; Q182-N186 PolarHBondContact NE2-OD1 2.89Å; Q182-N186 WeakPolarHBondContact O-CB 3.42Å; Q182-N186 PolarHBondContact O-N 3.43Å; Q182-N186 PolarHBondContact O-OD1 2.92Å; N186-K190 WeakPolarHBondContact O-CB 3.48Å; N186-K190 PolarHBondContact O-N 3.37Å |
| 187 | M | 87.6 | Confident | 83 | Confident | 76 Ų | 76 | 78.5 Ų | 78.5 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.8 | -50.8 | 178 | -169.6 | 178.6 | 79.3 | 0 | 0 | 111.7 | L55 V183 I184 F185 K189 K190 E191 | L55-M187 HydrophobicContact CD1-SD 4.32Å; V183-M187 VanDerWaalsContact O-CB 3.23Å; V183-M187 WeakPolarHBondContact O-CB 3.42Å; V183-M187 PolarHBondContact O-N 3.47Å; I184-M187 PolarHBondContact O-N 3.49Å; F185-M187 VanDerWaalsContact C-N 3.31Å; F185-M187 PolarHBondContact O-N 2.6Å; M187-K189 VanDerWaalsContact C-N 3.34Å; M187-K189 PolarHBondContact O-N 2.73Å; M187-K190 PolarHBondContact O-N 3.38Å; M187-E191 WeakPolarHBondContact O-CB 3.35Å; M187-E191 PolarHBondContact O-N 3.46Å |
| 188 | R | 87.3 | Confident | 80.8 | Confident | 133 Ų | 133 | 82.2 Ų | 82.2 | 50% | 0.502 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 176.3 | -77.4 | -175.2 | 179.2 | -176.9 | 0.1 | 112.3 | N134 I184 F185 E191 A192 | N134-R188 PolarHBondContact OD1-NH1 3.35Å; N134-R188 PolarHBondContact OD1-NH2 3.43Å; I184-R188 WeakPolarHBondContact O-CB 3.36Å; I184-R188 WeakPolarHBondContact O-CG 3.15Å; I184-R188 PolarHBondContact O-N 2.83Å; F185-R188 PolarHBondContact O-N 3.15Å; R188-E191 WeakPolarHBondContact O-CB 3.1Å; R188-E191 PolarHBondContact O-N 3.35Å; R188-A192 PolarHBondContact O-N 3.15Å |
| 189 | K | 90.9 | Very high | 78.5 | Confident | 112 Ų | 112 | 86.3 Ų | 86.3 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.3 | -49 | 177.6 | 175.9 | 169 | 174.5 | 169.4 | 0 | 111.3 | F185 M187 E191 A192 E193 | F185-K189 VanDerWaalsContact O-CB 3.32Å; F185-K189 WeakPolarHBondContact O-CB 3.46Å; F185-K189 PolarHBondContact O-N 2.98Å; M187-K189 VanDerWaalsContact C-N 3.34Å; M187-K189 PolarHBondContact O-N 2.73Å; K189-E191 VanDerWaalsContact C-N 3.29Å; K189-E191 PolarHBondContact O-N 3.25Å; K189-A192 PolarHBondContact O-N 2.86Å; K189-E193 WeakPolarHBondContact CE-OE1 3.29Å; K189-E193 IonicContact NZ-OE1 3.31Å; K189-E193 WeakPolarHBondContact O-CG 3.38Å; K189-E193 PolarHBondContact O-N 3.41Å |
| 190 | K | 86.9 | Confident | 76.2 | Confident | 147 Ų | 147 | 92.8 Ų | 92.8 | 64% | 0.639 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.5 | -34.3 | 177.2 | -169.2 | -175.5 | 69.2 | 179.5 | 0 | 112.4 | N186 M187 S194 | N186-K190 WeakPolarHBondContact O-CB 3.48Å; N186-K190 PolarHBondContact O-N 3.37Å; M187-K190 PolarHBondContact O-N 3.38Å; K190-S194 WeakPolarHBondContact O-CB 3.41Å; K190-S194 PolarHBondContact O-N 2.77Å; K190-S194 PolarHBondContact O-OG 2.76Å |
| 191 | E | 82.8 | Confident | 73.8 | Confident | 119 Ų | 119 | 95.8 Ų | 95.8 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.7 | -49.1 | 174.3 | -170.9 | 172.3 | -173.5 | 0 | 0 | 110.9 | M187 R188 K189 S194 S195 | M187-E191 WeakPolarHBondContact O-CB 3.35Å; M187-E191 PolarHBondContact O-N 3.46Å; R188-E191 WeakPolarHBondContact O-CB 3.1Å; R188-E191 PolarHBondContact O-N 3.35Å; K189-E191 VanDerWaalsContact C-N 3.29Å; K189-E191 PolarHBondContact O-N 3.25Å; E191-S194 PolarHBondContact O-N 2.58Å; E191-S194 VanDerWaalsContact O-N 3.16Å; E191-S194 PolarHBondContact O-OG 3.22Å; E191-S195 PolarHBondContact O-N 2.88Å |
| 192 | A | 81.5 | Confident | 71.4 | Confident | 51 Ų | 51 | 98.8 Ų | 98.8 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.4 | -52.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R188 K189 S194 S195 E196 | R188-A192 PolarHBondContact O-N 3.15Å; K189-A192 PolarHBondContact O-N 2.86Å; A192-S194 PolarHBondContact O-N 3.11Å; A192-S195 WeakPolarHBondContact CA-OG 3.49Å; A192-S195 PolarHBondContact O-N 3.18Å; A192-S195 PolarHBondContact O-OG 3.07Å; A192-E196 PolarHBondContact O-N 2.84Å; A192-E196 VanDerWaalsContact O-N 3.11Å |
| 193 | E | 74.6 | Confident | 68.6 | Low | 103 Ų | 103 | 98.5 Ų | 98.5 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.2 | -30.9 | 176.6 | -71.2 | 173.8 | 179.1 | 0 | 0 | 112.7 | K189 | K189-E193 WeakPolarHBondContact CE-OE1 3.29Å; K189-E193 IonicContact NZ-OE1 3.31Å; K189-E193 WeakPolarHBondContact O-CG 3.38Å; K189-E193 PolarHBondContact O-N 3.41Å |
| 194 | S | 59 | Low | 65.8 | Low | 74 Ų | 74 | 105.2 Ų | 105.2 | 52% | 0.517 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -76.7 | -29.1 | 174.6 | 76.1 | 0 | 0 | 0 | 0 | 113.5 | K190 E191 A192 | K190-S194 WeakPolarHBondContact O-CB 3.41Å; K190-S194 PolarHBondContact O-N 2.77Å; K190-S194 PolarHBondContact O-OG 2.76Å; E191-S194 PolarHBondContact O-N 2.58Å; E191-S194 VanDerWaalsContact O-N 3.16Å; E191-S194 PolarHBondContact O-OG 3.22Å; A192-S194 PolarHBondContact O-N 3.11Å |
| 195 | S | 55.8 | Low | 63.2 | Low | 73 Ų | 73 | 108.7 Ų | 108.7 | 51% | 0.51 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -78.4 | -37 | 179.8 | 66.3 | 0 | 0 | 0 | 0 | 113.4 | E191 A192 K197 A198 | E191-S195 PolarHBondContact O-N 2.88Å; A192-S195 WeakPolarHBondContact CA-OG 3.49Å; A192-S195 PolarHBondContact O-N 3.18Å; A192-S195 PolarHBondContact O-OG 3.07Å; S195-K197 PolarHBondContact O-N 3.33Å; S195-A198 WeakPolarHBondContact O-CB 3.38Å; S195-A198 PolarHBondContact O-N 3.02Å |
| 196 | E | 54.1 | Low | 60.3 | Low | 143 Ų | 143 | 112.7 Ų | 112.7 | 67% | 0.668 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60.9 | -36 | 173.2 | -68.4 | -169.1 | 122.8 | 0 | 0 | 111.8 | A192 A198 Q199 | A192-E196 PolarHBondContact O-N 2.84Å; A192-E196 VanDerWaalsContact O-N 3.11Å; E196-A198 PolarHBondContact O-N 3.5Å; E196-Q199 PolarHBondContact O-N 3Å |
| 197 | K | 49.2 | Very low | 57.3 | Low | 178 Ų | 178 | 118.5 Ų | 118.5 | 77% | 0.774 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.6 | -7.8 | 177.7 | -132.7 | 173.9 | -172.1 | 175.3 | 0 | 114.2 | S195 | S195-K197 PolarHBondContact O-N 3.33Å |
| 198 | A | 50 | Low | 54.6 | Low | 78 Ų | 78 | 119.8 Ų | 119.8 | 65% | 0.645 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -91 | -18.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S195 E196 | S195-A198 WeakPolarHBondContact O-CB 3.38Å; S195-A198 PolarHBondContact O-N 3.02Å; E196-A198 PolarHBondContact O-N 3.5Å |
| 199 | Q | 43.8 | Very low | 51.8 | Low | 176 Ų | 176 | 120.2 Ų | 120.2 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -92.6 | -30.2 | 177.5 | -102.9 | -177.5 | -5.1 | 0 | 0 | 113.9 | E196 G201 | E196-Q199 PolarHBondContact O-N 3Å; Q199-G201 PolarHBondContact O-N 2.89Å |
| 200 | N | 47.6 | Very low | 48.9 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -96.7 | 52.5 | 175.3 | -75.1 | -54.4 | 0 | 0 | 0 | 112.2 | ||
| 201 | G | 43.2 | Very low | 46.2 | Very low | 63 Ų | 63 | 124.6 Ų | 124.6 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | trans | -153.1 | 22.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q199 | Q199-G201 PolarHBondContact O-N 2.89Š| ||
| 202 | S | 43.6 | Very low | 43.6 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | trans | -130 | 44.9 | -175.5 | -174.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 203 | A | 34.8 | Very low | 41.1 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -147.8 | 119.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 204 | V | 34.8 | Very low | 39.6 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | trans | 50.8 | 102.3 | 165.4 | -171.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 205 | A | 36.9 | Very low | 38 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -93.5 | 160.1 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 206 | E | 31.5 | Very low | 37 | Very low | 191 Ų | 191 | 138.6 Ų | 138.6 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | 61.5 | 97.4 | 164 | -53.9 | -166.1 | 146.3 | 0 | 0 | 118.3 | ||||
| 207 | N | 26.5 | Very low | 36.3 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | -147.2 | 147.9 | 108.9 | -139.7 | -15.2 | 0 | 0 | 0 | 110.4 | |||||
| 208 | C | 31.8 | Very low | 35.5 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 70% | 0.703 | 80% | 0.799 | S | S | * | * | trans | -135.6 | 163.2 | -179.4 | -150.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 209 | D | 29.2 | Very low | 34.8 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | trans | 56 | 102 | 173.8 | -62.3 | -44.8 | 0 | 0 | 0 | 118.3 | ||||
| 210 | N | 29.5 | Very low | 34.5 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | -148.3 | 155.9 | 121 | -116.7 | -74.7 | 0 | 0 | 0 | 112.6 | |||||
| 211 | E | 30.2 | Very low | 34 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -96.1 | 135.8 | -165.7 | -171.9 | -166.8 | 152.3 | 0 | 0 | 112.9 | ||||
| 212 | S | 27.6 | Very low | 33.9 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | 173.3 | 152.9 | 136.5 | 41.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 213 | K | 29.8 | Very low | 34.3 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -98.9 | 174.1 | 164.4 | -98.9 | -179.2 | 175.9 | 173.7 | 0 | 109.3 | ||||
| 214 | P | 42.1 | Very low | 34.6 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | cis | -135.5 | 169 | -32.4 | 38.5 | -23.9 | 0 | 0 | 0 | 113 | ||||
| 215 | A | 25.6 | Very low | 34.9 | Very low | 98 Ų | 98 | 142.7 Ų | 142.7 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | 176.2 | 153.3 | 143 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 216 | Q | 34.5 | Very low | 34.8 | Very low | 181 Ų | 181 | 146 Ų | 146 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -111.8 | 154.6 | 144 | -68.4 | -165.8 | -18.2 | 0 | 0 | 107.2 | ||||
| 217 | P | 39.4 | Very low | 35.3 | Very low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | -145.6 | 155.8 | 84.2 | 38.2 | -21.4 | 0 | 0 | 0 | 116.6 | |||||
| 218 | V | 32.3 | Very low | 35.9 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | trans | 21.2 | 123.3 | 136.6 | -173.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 219 | E | 37.1 | Very low | 36.2 | Very low | 199 Ų | 199 | 146 Ų | 146 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | -146.1 | 165.2 | 128.5 | -131.2 | 163.8 | -142.7 | 0 | 0 | 111.2 | |||||
| 220 | Q | 36.2 | Very low | 36.6 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | trans | -147.3 | 160.8 | -158.5 | -168.4 | -164.4 | -91.1 | 0 | 0 | 110.4 | ||||
| 221 | L | 38.5 | Very low | 37.5 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 78.2 | 151.8 | 178.5 | -47.1 | 171.1 | 0 | 0 | 0 | 112.9 | ||||
| 222 | D | 39.6 | Very low | 37.4 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | cis | -116.2 | 147.2 | 3.1 | -100.1 | -27.2 | 0 | 0 | 0 | 109.9 | ||||
| 223 | L | 52.3 | Low | 38.1 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 64% | 0.644 | 78% | 0.779 | S | S | * | * | 90 | 140.3 | 52.5 | -168.6 | 66.4 | 0 | 0 | 0 | 112.7 | |||||
| 224 | F | 41.9 | Very low | 38.3 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 70.4 | 119.8 | -171.7 | -49 | -74.9 | 0 | 0 | 0 | 115.1 | ||||
| 225 | G | 39.7 | Very low | 37.8 | Very low | 70 Ų | 70 | 143.9 Ų | 143.9 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | cis | -173 | 171 | -4.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 226 | D | 36.1 | Very low | 38.3 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -60.8 | 147.3 | 178.2 | -51.4 | -92.4 | 0 | 0 | 0 | 113.1 | ||||
| 227 | I | 41.4 | Very low | 38.3 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | -169.2 | 118 | 109 | 40.8 | 178.7 | 0 | 0 | 0 | 114.9 | |||||
| 228 | K | 39.4 | Very low | 38.1 | Very low | 181 Ų | 181 | 147.9 Ų | 147.9 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | 66.8 | 116.4 | 129.7 | -65.3 | -175.5 | 175.5 | -178.2 | 0 | 123 | |||||
| 229 | T | 37.7 | Very low | 38.4 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | 78.4 | 158.7 | 138.4 | 36.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 230 | P | 38.1 | Very low | 38.7 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | -119.6 | -168.8 | -135.2 | 49.9 | -39 | 0 | 0 | 0 | 112.4 | ||||
| 231 | P | 47.8 | Very low | 38.8 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -84.8 | 147.7 | -169.2 | 34.8 | -32.5 | 0 | 0 | 0 | 113.3 | ||||
| 232 | D | 28.1 | Very low | 39 | Very low | 155 Ų | 155 | 144 Ų | 144 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -149.8 | 164.6 | 157.6 | -147.3 | -19.8 | 0 | 0 | 0 | 111.5 | ||||
| 233 | I | 43.5 | Very low | 39.3 | Very low | 143 Ų | 143 | 144 Ų | 144 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -107.4 | 144.4 | -145.5 | -55.5 | 157.2 | 0 | 0 | 0 | 113 | ||||
| 234 | R | 33.3 | Very low | 38.7 | Very low | 237 Ų | 237 | 146 Ų | 146 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | 149.3 | 146.1 | 145.3 | -79.8 | 150.8 | -160.1 | -130.1 | 0.4 | 109.9 | ||||
| 235 | S | 31.4 | Very low | 38.8 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | cis | -128.8 | 170.4 | 12.4 | -118.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 236 | P | 36.6 | Very low | 38.6 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | -87.7 | 149.6 | -165.1 | 34.7 | -35.5 | 0 | 0 | 0 | 114.7 | ||||
| 237 | E | 32.9 | Very low | 39.2 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | -83.8 | 142.7 | 151 | -71 | -167.7 | 141.2 | 0 | 0 | 109.8 | S239 | E237-S239 PolarHBondContact O-N 2.63Å; E237-S239 VanDerWaalsContact O-N 3.08Å | ||
| 238 | E | 37.1 | Very low | 39.2 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -85.6 | 71.9 | -175.9 | 54.1 | -163.8 | 131.8 | 0 | 0 | 112.4 | N240 | E238-N240 PolarHBondContact O-N 2.89Å; E238-N240 PolarHBondContact O-ND2 2.67Å | ||
| 239 | S | 37.7 | Very low | 39.3 | Very low | 92 Ų | 92 | 135 Ų | 135 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | trans | -57.3 | 116.6 | 176.1 | -44.2 | 0 | 0 | 0 | 0 | 111.2 | E237 D241 | E237-S239 PolarHBondContact O-N 2.63Å; E237-S239 VanDerWaalsContact O-N 3.08Å; S239-D241 PolarHBondContact O-N 2.96Å | ||
| 240 | N | 42.4 | Very low | 39.3 | Very low | 144 Ų | 144 | 132.1 Ų | 132.1 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | -81.7 | 35.9 | -174.6 | -91.6 | -111.5 | 0 | 0 | 0 | 113.1 | E238 | E238-N240 PolarHBondContact O-N 2.89Å; E238-N240 PolarHBondContact O-ND2 2.67Å | ||
| 241 | D | 39.8 | Very low | 39.6 | Very low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | -105.5 | 38.6 | -165.9 | -69.2 | -66.2 | 0 | 0 | 0 | 114.2 | S239 | S239-D241 PolarHBondContact O-N 2.96Š| ||
| 242 | I | 41.4 | Very low | 38.9 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | trans | -116.3 | 58.8 | 168.5 | -44.8 | -176.1 | 0 | 0 | 0 | 110.7 | ||||
| 243 | L | 45.9 | Very low | 39.9 | Very low | 130 Ų | 130 | 130 Ų | 130 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | trans | -110.9 | 39.4 | 159 | -69.1 | -179 | 0 | 0 | 0 | 111.5 | L245 | L243-L245 PolarHBondContact O-N 2.87Š| ||
| 244 | L | 39.6 | Very low | 39.9 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | trans | -67.7 | 83.2 | 164.7 | -174.7 | 65.9 | 0 | 0 | 0 | 109.3 | D246 | L244-D246 VanDerWaalsContact C-N 3.32Å; L244-D246 PolarHBondContact O-N 3.18Å | ||
| 245 | L | 45.7 | Very low | 40.2 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 51% | 0.513 | 73% | 0.73 | S | S | . | * | trans | -72.8 | 83.1 | 176.7 | -73.8 | 176.3 | 0 | 0 | 0 | 110.6 | L243 F247 | L243-L245 PolarHBondContact O-N 2.87Å; L245-F247 VanDerWaalsContact C-N 3.31Å; L245-F247 HydrophobicContact CB-CD2 4.09Å; L245-F247 HydrophobicContact CD1-CD2 4.4Å; L245-F247 HydrophobicContact CD1-CE2 4.28Å; L245-F247 HydrophobicContact CD2-CD2 4.34Å; L245-F247 HydrophobicContact CD2-CE2 4.01Å; L245-F247 PolarHBondContact O-N 2.9Å | ||
| 246 | D | 35 | Very low | 40.4 | Very low | 108 Ų | 108 | 127 Ų | 127 | 58% | 0.578 | 73% | 0.728 | S | S | * | * | trans | -66.3 | 96.9 | 158.7 | -176.3 | 19.4 | 0 | 0 | 0 | 109.5 | L244 S248 | L244-D246 VanDerWaalsContact C-N 3.32Å; L244-D246 PolarHBondContact O-N 3.18Å; D246-S248 WeakPolarHBondContact OD1-CA 3.36Å; D246-S248 WeakPolarHBondContact OD1-CB 3.45Å; D246-S248 PolarHBondContact OD1-N 3.23Å; D246-S248 PolarHBondContact OD1-OG 2.99Å | ||
| 247 | F | 48.3 | Very low | 40.1 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 50% | 0.504 | 73% | 0.725 | S | S | . | * | trans | -103.9 | 16.6 | 170.3 | -98.8 | -55.6 | 0 | 0 | 0 | 112.1 | L245 | L245-F247 VanDerWaalsContact C-N 3.31Å; L245-F247 HydrophobicContact CB-CD2 4.09Å; L245-F247 HydrophobicContact CD1-CD2 4.4Å; L245-F247 HydrophobicContact CD1-CE2 4.28Å; L245-F247 HydrophobicContact CD2-CD2 4.34Å; L245-F247 HydrophobicContact CD2-CE2 4.01Å; L245-F247 PolarHBondContact O-N 2.9Å | ||
| 248 | S | 41 | Very low | 40.1 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | -81.6 | -23.3 | -178 | -38.5 | 0 | 0 | 0 | 0 | 112.7 | D246 | D246-S248 WeakPolarHBondContact OD1-CA 3.36Å; D246-S248 WeakPolarHBondContact OD1-CB 3.45Å; D246-S248 PolarHBondContact OD1-N 3.23Å; D246-S248 PolarHBondContact OD1-OG 2.99Å | ||
| 249 | A | 41.7 | Very low | 40 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -76.4 | 121.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 250 | G | 38.2 | Very low | 39.5 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 122 | 19.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 251 | V | 44.7 | Very low | 38.9 | Very low | 150 Ų | 150 | 128.6 Ų | 128.6 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | trans | -126.3 | 75.1 | 162.4 | -170.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 252 | D | 33.2 | Very low | 38.5 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | trans | -132.1 | 145.1 | 139.1 | -168.5 | 17.6 | 0 | 0 | 0 | 109.5 | N254 | D252-N254 PolarHBondContact OD1-ND2 3.34Å; D252-N254 PolarHBondContact OD2-ND2 3.43Å | ||
| 253 | G | 49 | Very low | 37.9 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -140 | 52.4 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 254 | N | 43.8 | Very low | 37.3 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | trans | -141.1 | -0.9 | -177.6 | 70.1 | 49.4 | 0 | 0 | 0 | 116.3 | D252 N256 | D252-N254 PolarHBondContact OD1-ND2 3.34Å; D252-N254 PolarHBondContact OD2-ND2 3.43Å; N254-N256 PolarHBondContact O-N 2.87Å | ||
| 255 | Q | 38.7 | Very low | 36.8 | Very low | 182 Ų | 182 | 130.7 Ų | 130.7 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | -61.4 | 94.9 | -170.9 | -79.1 | -80.2 | -22.7 | 0 | 0 | 113.1 | ||||
| 256 | N | 36.3 | Very low | 35.9 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | -114.9 | 149 | 169.7 | -139.5 | -20.8 | 0 | 0 | 0 | 107.8 | N254 | N254-N256 PolarHBondContact O-N 2.87Š| ||
| 257 | C | 30.8 | Very low | 35.7 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 49.6 | 108.7 | 171.5 | 65.4 | 0 | 0 | 0 | 0 | 121.1 | ||
| 258 | M | 31.5 | Very low | 34.8 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | 79.3 | 117.3 | 124.4 | -64.3 | -177.8 | 177.6 | 0 | 0 | 121.8 | |||||
| 259 | K | 34.9 | Very low | 34.9 | Very low | 200 Ų | 200 | 132.6 Ų | 132.6 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -49 | 131.7 | 155.6 | 169.7 | -174.3 | -176.7 | 175 | 0 | 113.4 | ||||
| 260 | D | 28.1 | Very low | 34.2 | Very low | 163 Ų | 163 | 136 Ų | 136 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -154.2 | 174.1 | 148.8 | -107.8 | -29.5 | 0 | 0 | 0 | 112.1 | ||||
| 261 | S | 30.6 | Very low | 33.9 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -80.4 | 137 | -152.3 | 57 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 262 | S | 30.8 | Very low | 33.1 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | 20.7 | 137.7 | 137.3 | 64.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 263 | F | 28.6 | Very low | 32.8 | Very low | 216 Ų | 216 | 144 Ų | 144 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | trans | -149.2 | 163.7 | 139.2 | -89.5 | -64.7 | 0 | 0 | 0 | 112.2 | ||||
| 264 | L | 34 | Very low | 32.4 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -109 | 143.3 | -172.9 | -69.4 | 165.1 | 0 | 0 | 0 | 112.8 | ||||
| 265 | N | 27.6 | Very low | 31.9 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -179.3 | 125.3 | 136.4 | -92.5 | -24.9 | 0 | 0 | 0 | 107.6 | ||||
| 266 | S | 26.9 | Very low | 31.5 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | 95.3 | 107.3 | 51.1 | -176 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 267 | L | 31.9 | Very low | 31.1 | Very low | 174 Ų | 174 | 145 Ų | 145 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -174.3 | 130.8 | 138.9 | -101.6 | 166.8 | 0 | 0 | 0 | 110 | ||||
| 268 | G | 29.6 | Very low | 31.2 | Very low | 64 Ų | 64 | 148.6 Ų | 148.6 | 66% | 0.66 | 82% | 0.819 | S | S | * | * | trans | -84.5 | -169.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 269 | P | 42.7 | Very low | 31.2 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | -139 | 178.4 | 62.4 | 39.8 | -24.2 | 0 | 0 | 0 | 116 | |||||
| 270 | D | 27.4 | Very low | 31 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -82.9 | 167.7 | -168.8 | -44.5 | -99.3 | 0 | 0 | 0 | 115.7 | ||||
| 271 | Y | 30.9 | Very low | 31.1 | Very low | 225 Ų | 225 | 140.5 Ų | 140.5 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -140.3 | 138.9 | 144.7 | 58.7 | -93.8 | 0 | 0 | 0 | 110.7 | ||||
| 272 | E | 28 | Very low | 31.3 | Very low | 193 Ų | 193 | 142 Ų | 142 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -77.2 | 159.8 | -177.9 | -69 | -173.6 | 101.6 | 0 | 0 | 113.4 | ||||
| 273 | A | 27.8 | Very low | 31.6 | Very low | 90 Ų | 90 | 146.7 Ų | 146.7 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | -133.7 | 134 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 274 | P | 38.9 | Very low | 31.9 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -80.5 | -179.9 | -175.7 | 33.5 | -36.6 | 0 | 0 | 0 | 113.5 | ||||
| 275 | T | 33.6 | Very low | 32.1 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -109.4 | 156.4 | -156.3 | 60 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 276 | N | 30.2 | Very low | 32.5 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | 73.1 | 108.2 | 142.4 | -174.2 | 29.7 | 0 | 0 | 0 | 120.7 | ||||
| 277 | S | 29.4 | Very low | 33.2 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | -148.5 | 165.4 | 126.1 | 64.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 278 | K | 32.9 | Very low | 33.5 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -112.2 | 163.5 | -170.3 | -85.4 | -178.9 | 174.3 | 177.2 | 0 | 113.9 | ||||
| 279 | N | 30.6 | Very low | 34.2 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | 87.2 | 147.6 | 160.9 | 97.4 | 67.4 | 0 | 0 | 0 | 116 | ||||
| 280 | T | 30.8 | Very low | 34.1 | Very low | 130 Ų | 130 | 145 Ų | 145 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | cis | -131.4 | 167.9 | -5.6 | 37.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 281 | S | 29.8 | Very low | 34.8 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | -88.2 | 147.3 | 172.6 | 171.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 282 | T | 34 | Very low | 35.9 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | 178.5 | 110.8 | 125 | -75.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 283 | F | 38.2 | Very low | 37.1 | Very low | 197 Ų | 197 | 134.3 Ų | 134.3 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | 49.6 | 119 | 155.5 | -74.2 | -103 | 0 | 0 | 0 | 121.1 | ||||
| 284 | G | 34.1 | Very low | 37.9 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -110.5 | 173.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 285 | Y | 38 | Very low | 38.3 | Very low | 218 Ų | 218 | 135.2 Ų | 135.2 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -105.9 | 143.8 | 178.2 | -101.1 | -99.2 | 0 | 0 | 0 | 111.8 | ||||
| 286 | F | 36.3 | Very low | 38.7 | Very low | 184 Ų | 184 | 136.9 Ų | 136.9 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | 61.9 | 123 | 171.4 | -77.7 | -77.8 | 0 | 0 | 0 | 119.5 | ||||
| 287 | P | 41.8 | Very low | 39.4 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 164.5 | 165.9 | 36.6 | -34 | 0 | 0 | 0 | 112.2 | ||
| 288 | A | 38.4 | Very low | 40.2 | Very low | 84 Ų | 84 | 136.1 Ų | 136.1 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -78 | 155.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 289 | P | 43.9 | Very low | 40.6 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 121.4 | 175.1 | 30.7 | -32.8 | 0 | 0 | 0 | 111.6 | ||
| 290 | D | 41.3 | Very low | 40.7 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 157.6 | 172.2 | -81.9 | -53.5 | 0 | 0 | 0 | 112.6 | ||
| 291 | S | 42.9 | Very low | 40.7 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -103 | 74.2 | -169.3 | -63.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 292 | D | 54 | Low | 40.9 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | trans | -143.9 | 112.9 | 162.3 | -169.2 | -12.7 | 0 | 0 | 0 | 111.6 | F294 G295 | D292-F294 PolarHBondContact OD1-N 2.84Å; D292-G295 PolarHBondContact OD1-N 2.85Å | ||
| 293 | P | 52.3 | Low | 41 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -89 | 1.2 | 177.3 | 33.6 | -31.6 | 0 | 0 | 0 | 115.1 | ||
| 294 | F | 45.3 | Very low | 40.7 | Very low | 191 Ų | 191 | 132 Ų | 132 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -140.1 | 22 | -175.6 | -71.4 | -71.8 | 0 | 0 | 0 | 115.1 | D292 | D292-F294 PolarHBondContact OD1-N 2.84Š|
| 295 | G | 46.7 | Very low | 40.4 | Very low | 52 Ų | 52 | 134.3 Ų | 134.3 | 54% | 0.536 | 77% | 0.772 | S | S | . | * | trans | -71.6 | -29.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | D292 | D292-G295 PolarHBondContact OD1-N 2.85Š| ||
| 296 | D | 42.3 | Very low | 39.8 | Very low | 169 Ų | 169 | 132 Ų | 132 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | trans | -112.4 | 86.4 | -168.4 | -74.6 | -57.2 | 0 | 0 | 0 | 113.8 | ||||
| 297 | D | 45.3 | Very low | 39.6 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | trans | -107.9 | 107.6 | 164.7 | -175.3 | -3.9 | 0 | 0 | 0 | 110.6 | L299 | D297-L299 PolarHBondContact O-N 2.66Š| ||
| 298 | P | 45 | Very low | 39.8 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 26.7 | -167.8 | 33.7 | -38.1 | 0 | 0 | 0 | 115 | ||
| 299 | L | 41.4 | Very low | 39.3 | Very low | 145 Ų | 145 | 132 Ų | 132 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | -4.2 | -177.1 | -67.3 | 176 | 0 | 0 | 0 | 115.3 | D297 S301 | D297-L299 PolarHBondContact O-N 2.66Å; L299-S301 VanDerWaalsContact C-N 3.32Å; L299-S301 PolarHBondContact O-N 3.46Å; L299-S301 VanDerWaalsContact O-N 3.09Å |
| 300 | C | 33.9 | Very low | 38.6 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -87.1 | 50.2 | -176 | -158.3 | 0 | 0 | 0 | 0 | 114.8 | Q302 | C300-Q302 PolarHBondContact O-N 3.34Š| ||
| 301 | S | 30 | Very low | 38.2 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -83.3 | 93.2 | 173.2 | 62 | 0 | 0 | 0 | 0 | 111.7 | L299 | L299-S301 VanDerWaalsContact C-N 3.32Å; L299-S301 PolarHBondContact O-N 3.46Å; L299-S301 VanDerWaalsContact O-N 3.09Å | ||
| 302 | Q | 34.1 | Very low | 37.8 | Very low | 175 Ų | 175 | 131 Ų | 131 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -79.5 | 145.9 | 173.3 | -71.8 | -147.8 | -11.9 | 0 | 0 | 113.2 | C300 | C300-Q302 PolarHBondContact O-N 3.34Š| ||
| 303 | P | 36.7 | Very low | 36.6 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | trans | -96.3 | 153.7 | -170.8 | 36.8 | -36.4 | 0 | 0 | 0 | 116 | ||||
| 304 | N | 30.7 | Very low | 36.3 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 61.2 | 116.5 | 153.8 | -71.6 | 1.2 | 0 | 0 | 0 | 121.1 | ||||
| 305 | S | 28.2 | Very low | 36.5 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | trans | -117.3 | 155.2 | 132.6 | -171 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 306 | F | 26.1 | Very low | 35.8 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 75% | 0.746 | 75% | 0.751 | S | S | * | * | trans | -86.3 | 132.6 | -164.1 | -89.2 | -110.4 | 0 | 0 | 0 | 112.6 | ||||
| 307 | V | 31.8 | Very low | 35.2 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | 68.7 | 145 | 97.5 | 170.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 308 | P | 46.1 | Very low | 34.6 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | cis | -118.3 | -162 | 7.9 | 34.8 | -12.9 | 0 | 0 | 0 | 112.6 | ||||
| 309 | H | 27.2 | Very low | 33.8 | Very low | 160 Ų | 160 | 134 Ų | 134 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | cis | -164.8 | 166.5 | 22.5 | -153.9 | 27.2 | 0 | 0 | 0 | 114.1 | ||||
| 310 | N | 29.8 | Very low | 33.3 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 65.5 | 141.6 | 168.6 | -70.7 | -15.6 | 0 | 0 | 0 | 119 | ||||
| 311 | A | 31.7 | Very low | 33 | Very low | 73 Ų | 73 | 132.4 Ų | 132.4 | 60% | 0.603 | 75% | 0.748 | S | S | * | * | cis | -162.8 | 176 | -11.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 312 | H | 34.3 | Very low | 32.8 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 87% | 0.87 | 74% | 0.743 | S | S | * | * | trans | 79 | 90.9 | 164.3 | -65.2 | -70.8 | 0 | 0 | 0 | 121.5 | ||||
| 313 | Q | 30.8 | Very low | 32.6 | Very low | 178 Ų | 178 | 130.3 Ų | 130.3 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -51.2 | -177 | 139.7 | -77.3 | -177.8 | -24.6 | 0 | 0 | 115.3 | ||||
| 314 | P | 45.7 | Very low | 32.3 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | cis | -120 | -44.9 | -15.7 | 15.4 | 0.1 | 0 | 0 | 0 | 124.2 | ||||
| 315 | P | 49.7 | Very low | 32.3 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | -128.1 | 162.2 | -114.9 | 36 | -19.3 | 0 | 0 | 0 | 117.6 | |||||
| 316 | T | 31.1 | Very low | 32.3 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | cis | -167.3 | -172.8 | -30.7 | 43.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 317 | N | 30.1 | Very low | 32.3 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 83.9 | 133.6 | 163.4 | -55.1 | 2.6 | 0 | 0 | 0 | 115.8 | ||||
| 318 | N | 31.4 | Very low | 31.9 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | cis | -146.3 | 160.6 | 3.6 | -104.5 | -14.5 | 0 | 0 | 0 | 114.1 | ||||
| 319 | L | 29.1 | Very low | 31.2 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -67.9 | 158.6 | 168.7 | -143.1 | 65.8 | 0 | 0 | 0 | 109.5 | ||||
| 320 | V | 30.4 | Very low | 31.2 | Very low | 120 Ų | 120 | 133 Ų | 133 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | -165.9 | 154.5 | 47.5 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 321 | S | 27.1 | Very low | 31 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | 73.2 | 114.6 | 155.6 | -86.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 322 | S | 27.6 | Very low | 30.9 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | 60.9 | 118.4 | 111.5 | -52.7 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 323 | D | 28.3 | Very low | 30.6 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | 59.6 | 116.3 | 137.9 | -67.5 | -47 | 0 | 0 | 0 | 122.6 | ||||
| 324 | T | 31.3 | Very low | 30.3 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | trans | 59.4 | 113.7 | 138.6 | -47.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 325 | V | 30.9 | Very low | 29.5 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | -179.2 | 134.9 | 125.1 | 143.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 326 | K | 28.2 | Very low | 28.5 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | 14.3 | 134.8 | 152.8 | -50.8 | 176.6 | 179.4 | 175.4 | 0 | 123.4 | ||||
| 327 | T | 26.1 | Very low | 28.5 | Very low | 116 Ų | 116 | 129 Ų | 129 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | 70.7 | 137.4 | 129.8 | 55.1 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 328 | N | 23.3 | Very low | 28.7 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | 68.8 | 129.9 | 159.2 | -62.6 | -28.7 | 0 | 0 | 0 | 116.5 | ||||
| 329 | L | 31.6 | Very low | 28.5 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | cis | 107.6 | 146.3 | 32 | -92.8 | 170 | 0 | 0 | 0 | 111.8 | ||||
| 330 | N | 26.8 | Very low | 28.8 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | 73.4 | 139.3 | -173.2 | -52.7 | -11.9 | 0 | 0 | 0 | 114.9 | ||||
| 331 | G | 24.9 | Very low | 28.8 | Very low | 61 Ų | 61 | 134.1 Ų | 134.1 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | cis | 154.4 | 156.6 | -10.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 332 | L | 31.2 | Very low | 28.8 | Very low | 181 Ų | 181 | 138 Ų | 138 | 95% | 0.948 | 79% | 0.789 | S | S | * | * | trans | 66.9 | 147.7 | 177 | -46.1 | 172 | 0 | 0 | 0 | 113.7 | ||||
| 333 | S | 26.2 | Very low | 29.1 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | cis | -153.4 | 156 | -11.9 | 45.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 334 | G | 26.1 | Very low | 29.5 | Very low | 78 Ų | 78 | 141.8 Ų | 141.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | cis | 120.1 | 96.3 | 14.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 335 | E | 27.9 | Very low | 30.1 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -150 | 158.5 | 161.8 | 75.9 | 167.7 | 175.8 | 0 | 0 | 113.1 | ||||
| 336 | T | 30 | Very low | 30.4 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 43.2 | 124.7 | 149.4 | -50 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 337 | G | 29.2 | Very low | 31 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | trans | 113.9 | 76.8 | 140.5 | 0 | 0 | 0 | 0 | 0 | 118 | N339 | G337-N339 PolarHBondContact O-N 3.15Š| ||
| 338 | Q | 34.3 | Very low | 31.9 | Very low | 205 Ų | 205 | 139.8 Ų | 139.8 | 96% | 0.958 | 79% | 0.785 | S | S | * | * | trans | 11.7 | 101.3 | 151.2 | -61 | 177.5 | 2.4 | 0 | 0 | 117 | ||||
| 339 | N | 28.5 | Very low | 33 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -116.1 | 172.9 | 164.1 | -155.6 | -88.9 | 0 | 0 | 0 | 111.1 | G337 | G337-N339 PolarHBondContact O-N 3.15Š| ||
| 340 | L | 34.1 | Very low | 33.5 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -80.6 | 179.7 | -168.9 | -66.4 | 135.6 | 0 | 0 | 0 | 112.9 | ||||
| 341 | Q | 30.4 | Very low | 34.5 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 79.4 | 106.1 | 144.4 | -161.9 | 160.5 | 47.8 | 0 | 0 | 118.5 | ||||
| 342 | M | 27.8 | Very low | 35.4 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | -174.1 | 116.5 | 118.1 | -102.9 | -175.2 | -67.9 | 0 | 0 | 111.5 | |||||
| 343 | N | 35 | Very low | 36.1 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | -171.8 | 48.8 | 123.1 | -164.9 | 28.7 | 0 | 0 | 0 | 113.2 | L345 | N343-L345 PolarHBondContact O-N 3.49Š| |||
| 344 | E | 36.6 | Very low | 37 | Very low | 191 Ų | 191 | 138.7 Ų | 138.7 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -91.4 | 75.7 | 163.7 | -83.4 | -144.1 | 119.2 | 0 | 0 | 110.6 | S346 | E344-S346 PolarHBondContact O-N 3.48Š| ||
| 345 | L | 43 | Very low | 37.8 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | trans | -85.2 | 71.4 | 170.9 | -74 | 179.2 | 0 | 0 | 0 | 112.2 | N343 | N343-L345 PolarHBondContact O-N 3.49Š| ||
| 346 | S | 37.1 | Very low | 38.6 | Very low | 67 Ų | 67 | 140 Ų | 140 | 47% | 0.469 | 77% | 0.765 | S | S | . | * | trans | 43.2 | 113.1 | 133.1 | -154 | 0 | 0 | 0 | 0 | 118.6 | E344 K348 | E344-S346 PolarHBondContact O-N 3.48Å; S346-K348 PolarHBondContact O-N 3.17Å | ||
| 347 | S | 41 | Very low | 39.6 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -59.3 | 5.3 | 171.9 | 47.5 | 0 | 0 | 0 | 0 | 116.4 | S349 | S347-S349 VanDerWaalsContact C-N 3.33Å; S347-S349 PolarHBondContact O-N 2.81Å |
| 348 | K | 45.4 | Very low | 39.9 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 73% | 0.726 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -73.8 | -13.9 | -177.5 | -70.1 | -179.6 | 177.8 | 177 | 0 | 114.9 | S346 | S346-K348 PolarHBondContact O-N 3.17Š|
| 349 | S | 45.8 | Very low | 40.3 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -80.6 | -29.6 | -179 | -159 | 0 | 0 | 0 | 0 | 113.9 | S347 | S347-S349 VanDerWaalsContact C-N 3.33Å; S347-S349 PolarHBondContact O-N 2.81Å |
| 350 | M | 42.4 | Very low | 41.1 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -77.8 | -27.9 | -174.3 | -166.1 | 174.6 | -70.5 | 0 | 0 | 113.9 | L352 A353 | M350-L352 VanDerWaalsContact C-N 3.28Å; M350-L352 PolarHBondContact O-N 2.83Å; M350-A353 PolarHBondContact O-N 3.28Å |
| 351 | I | 48.6 | Very low | 41.3 | Very low | 130 Ų | 130 | 145 Ų | 145 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -70.5 | -19.9 | -172.9 | -62.1 | -61.7 | 0 | 0 | 0 | 113 | A353 | I351-A353 VanDerWaalsContact C-N 3.33Å; I351-A353 PolarHBondContact O-N 2.86Å |
| 352 | L | 43.2 | Very low | 41.4 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -75.8 | -16.1 | 179 | -75.9 | 167 | 0 | 0 | 0 | 114.2 | M350 | M350-L352 VanDerWaalsContact C-N 3.28Å; M350-L352 PolarHBondContact O-N 2.83Å |
| 353 | A | 44.9 | Very low | 41.6 | Very low | 84 Ų | 84 | 136.2 Ų | 136.2 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -80.2 | -15.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | M350 I351 | M350-A353 PolarHBondContact O-N 3.28Å; I351-A353 VanDerWaalsContact C-N 3.33Å; I351-A353 PolarHBondContact O-N 2.86Å |
| 354 | L | 45.3 | Very low | 41.5 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -98.1 | -6.7 | -171.6 | -68.7 | 173.6 | 0 | 0 | 0 | 115 | ||
| 355 | N | 43.5 | Very low | 41.4 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -92.5 | -13.9 | -170.9 | -155.3 | 17.6 | 0 | 0 | 0 | 114.6 | ||
| 356 | N | 45 | Very low | 40.8 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -107.8 | 96.9 | 178 | -78.4 | 5.9 | 0 | 0 | 0 | 110.6 | Q358 | N356-Q358 PolarHBondContact O-N 3.25Š|
| 357 | G | 49.9 | Very low | 40.5 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | -69.8 | 87.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 358 | Q | 35.7 | Very low | 39.9 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -132.8 | 106.6 | 172.5 | -168.1 | 171.3 | 32.5 | 0 | 0 | 111.1 | N356 P360 | N356-Q358 PolarHBondContact O-N 3.25Å; Q358-P360 WeakPolarHBondContact O-CD 3.48Å | ||
| 359 | W | 43.1 | Very low | 39.3 | Very low | 245 Ų | 245 | 135.5 Ų | 135.5 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | -80.1 | 124.3 | 174.9 | -70.9 | 98 | 0 | 0 | 0 | 111 | L361 | W359-L361 PolarHBondContact O-N 3.15Š| ||
| 360 | P | 45.2 | Very low | 38.6 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -76.7 | 108.5 | 168.8 | 30.1 | -31.5 | 0 | 0 | 0 | 110.3 | Q358 | Q358-P360 WeakPolarHBondContact O-CD 3.48Š| ||
| 361 | L | 38.3 | Very low | 38.1 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | -65 | 144.9 | 157.5 | -74.9 | 164.8 | 0 | 0 | 0 | 108.9 | W359 | W359-L361 PolarHBondContact O-N 3.15Š| ||
| 362 | G | 32.8 | Very low | 37.4 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 92% | 0.918 | 82% | 0.817 | S | S | * | * | trans | -63 | 139.7 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 363 | G | 31.9 | Very low | 36.7 | Very low | 79 Ų | 79 | 136.2 Ų | 136.2 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | -150 | 143.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 364 | S | 32.6 | Very low | 36.1 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | trans | -88 | 147.5 | -178.3 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 365 | I | 34.1 | Very low | 35.3 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | trans | -154.3 | 156.1 | 142.6 | -112.6 | 161.4 | 0 | 0 | 0 | 110.1 | ||||
| 366 | T | 30.9 | Very low | 34.7 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | trans | -132.6 | 149.6 | -169.3 | -34.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 367 | Q | 31.7 | Very low | 34.2 | Very low | 193 Ų | 193 | 136.9 Ų | 136.9 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | 68.3 | 146.1 | 174.7 | -53.6 | -174.3 | -8.5 | 0 | 0 | 116.2 | ||||
| 368 | G | 28.4 | Very low | 33.4 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 153.3 | 73.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 369 | T | 31.3 | Very low | 33.1 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | trans | -51.5 | 138.6 | 160 | -32.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 370 | G | 32.3 | Very low | 32.4 | Very low | 61 Ų | 61 | 135.7 Ų | 135.7 | 63% | 0.629 | 82% | 0.815 | S | S | * | * | cis | 117.5 | 88.8 | 14.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 371 | I | 31.5 | Very low | 31.8 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | -145.5 | 127.6 | 172.8 | -2.9 | 170.3 | 0 | 0 | 0 | 110.8 | ||||
| 372 | T | 33.5 | Very low | 31.3 | Very low | 134 Ų | 134 | 135 Ų | 135 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -85.2 | 155.2 | 166.1 | 41.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 373 | M | 28.2 | Very low | 31 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | -63.9 | 132.2 | 165.3 | -60.7 | -90 | -77.7 | 0 | 0 | 109.9 | ||||
| 374 | M | 33.7 | Very low | 30.7 | Very low | 189 Ų | 189 | 141.2 Ų | 141.2 | 93% | 0.931 | 82% | 0.818 | S | S | * | * | trans | -154.5 | 143.1 | 146.2 | -106 | -58.5 | 170.5 | 0 | 0 | 109 | ||||
| 375 | D | 28.2 | Very low | 30.5 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -104.1 | 159.2 | 175.9 | -173.6 | 19 | 0 | 0 | 0 | 109.4 | ||||
| 376 | G | 31.2 | Very low | 30.4 | Very low | 46 Ų | 46 | 141.8 Ų | 141.8 | 47% | 0.474 | 82% | 0.817 | S | S | . | * | trans | 109.6 | 123.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 377 | N | 33.6 | Very low | 30.3 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | 80.1 | 77.6 | 128.5 | -51.4 | -5.6 | 0 | 0 | 0 | 118.9 | |||||
| 378 | E | 32.7 | Very low | 30.6 | Very low | 176 Ų | 176 | 140 Ų | 140 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | 26.1 | 129.3 | 133.4 | 69.9 | -163.9 | 107 | 0 | 0 | 123.2 | ||||
| 379 | C | 29.7 | Very low | 30.5 | Very low | 111 Ų | 111 | 146 Ų | 146 | 75% | 0.75 | 82% | 0.82 | S | S | * | * | trans | 64.9 | 90.4 | 138.2 | -153.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 380 | Q | 29.6 | Very low | 30.4 | Very low | 200 Ų | 200 | 147.8 Ų | 147.8 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | trans | -149.4 | 135.4 | 130.4 | -119.9 | 154.6 | 101.2 | 0 | 0 | 112 | ||||
| 381 | Q | 32.3 | Very low | 30.2 | Very low | 197 Ų | 197 | 152 Ų | 152 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -97.4 | 139.9 | 177.3 | -67.8 | 175.5 | -35 | 0 | 0 | 110.1 | ||||
| 382 | G | 28.1 | Very low | 30 | Very low | 75 Ų | 75 | 147.4 Ų | 147.4 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 147.2 | 53.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | S384 | G382-S384 PolarHBondContact O-N 2.58Š| ||
| 383 | I | 26.3 | Very low | 29.6 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 95% | 0.949 | 80% | 0.8 | S | S | * | * | trans | -67.2 | 112.6 | 169.4 | 42 | 170.7 | 0 | 0 | 0 | 111 | ||||
| 384 | S | 25.4 | Very low | 29.7 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -146.3 | 154.5 | 175.6 | -171.6 | 0 | 0 | 0 | 0 | 110 | G382 | G382-S384 PolarHBondContact O-N 2.58Š| ||
| 385 | A | 28.6 | Very low | 29.4 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 57.6 | 107.6 | -167 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 386 | K | 30.7 | Very low | 29.4 | Very low | 204 Ų | 204 | 144.6 Ų | 144.6 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | 55.2 | 102.3 | 67.6 | -64.1 | -170.5 | 174.7 | -175 | 0 | 113.8 | |||||
| 387 | N | 30.2 | Very low | 29.1 | Very low | 166 Ų | 166 | 147.8 Ų | 147.8 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -71.4 | 137.8 | 154.8 | -78.9 | -25.4 | 0 | 0 | 0 | 109.8 | ||||
| 388 | P | 36.5 | Very low | 29.5 | Very low | 105 Ų | 105 | 146 Ų | 146 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -87.4 | 122.7 | -178.6 | 32.9 | -32.5 | 0 | 0 | 0 | 111.9 | ||
| 389 | F | 26.4 | Very low | 29.4 | Very low | 200 Ų | 200 | 142.9 Ų | 142.9 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | -175.3 | 93.5 | 105.9 | -105.5 | -74.4 | 0 | 0 | 0 | 109.5 | |||||
| 390 | F | 29.8 | Very low | 29.2 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | -84.5 | 144.8 | 154.3 | -96.1 | -98.4 | 0 | 0 | 0 | 107.8 | ||||
| 391 | D | 27.2 | Very low | 29.1 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | -177.9 | 148.7 | 112.4 | -100.2 | -29.7 | 0 | 0 | 0 | 111 | |||||
| 392 | S | 27.8 | Very low | 28.9 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 54% | 0.538 | 78% | 0.782 | S | S | . | * | cis | -156.8 | 170.9 | -16.5 | -143.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 393 | S | 25.6 | Very low | 29.2 | Very low | 98 Ų | 98 | 142.7 Ų | 142.7 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | 29.8 | 133.3 | 140 | -54.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 394 | L | 31 | Very low | 29.3 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 93% | 0.932 | 77% | 0.773 | S | S | * | * | -149.2 | 164.3 | 67.7 | -89.1 | 167.9 | 0 | 0 | 0 | 115.2 | |||||
| 395 | K | 27.5 | Very low | 29.4 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -117.1 | 123 | -162.8 | 162.4 | -170.1 | 176.1 | -178 | 0 | 110.3 | ||||
| 396 | T | 27 | Very low | 30.4 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -161.8 | 124.2 | 153.3 | 18.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 397 | S | 24.1 | Very low | 30.2 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -100.7 | -175.8 | 151.2 | -40.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 398 | P | 43.4 | Very low | 30.3 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | cis | -146.5 | -153.6 | 23.4 | 35.6 | -8.6 | 0 | 0 | 0 | 115.1 | ||||
| 399 | V | 29.1 | Very low | 30.7 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | trans | 67.8 | 137 | 170.1 | -111 | 0 | 0 | 0 | 0 | 115.7 | Y401 | V399-Y401 HydrophobicContact CG1-CD2 4.17Å; V399-Y401 HydrophobicContact CG1-CE2 4.3Å | ||
| 400 | S | 26.1 | Very low | 31 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -142.9 | 142.6 | 18.3 | -60.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 401 | Y | 28.2 | Very low | 30.9 | Very low | 202 Ų | 202 | 130.4 Ų | 130.4 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | trans | 9.4 | 153.7 | 139.3 | -70.4 | -104.1 | 0 | 0 | 0 | 121.8 | V399 | V399-Y401 HydrophobicContact CG1-CD2 4.17Å; V399-Y401 HydrophobicContact CG1-CE2 4.3Å | ||
| 402 | N | 27.8 | Very low | 31.2 | Very low | 124 Ų | 124 | 131 Ų | 131 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | cis | 178.4 | 179.5 | -20.2 | -158.5 | -21.7 | 0 | 0 | 0 | 107.8 | ||||
| 403 | I | 33.8 | Very low | 31.3 | Very low | 148 Ų | 148 | 132 Ų | 132 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | 74.4 | 136.6 | 159 | -59.1 | 152.6 | 0 | 0 | 0 | 114.5 | ||||
| 404 | S | 29.4 | Very low | 31.6 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | cis | -147.2 | 158.4 | 5.1 | 37.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 405 | N | 26.7 | Very low | 31.6 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -84.9 | -168.5 | 166.6 | -131 | 9.4 | 0 | 0 | 0 | 110.6 | ||||
| 406 | P | 49.3 | Very low | 31.8 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 61% | 0.61 | 76% | 0.757 | S | S | * | * | cis | -138.6 | -172.1 | -19.4 | 34.9 | -13.2 | 0 | 0 | 0 | 115.9 | ||||
| 407 | E | 26.2 | Very low | 32.3 | Very low | 188 Ų | 188 | 128.5 Ų | 128.5 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | trans | 101.1 | 160.6 | 138.1 | -134.8 | 154.1 | 132.8 | 0 | 0 | 122 | ||||
| 408 | A | 33.5 | Very low | 33.2 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | trans | -132.2 | -148.6 | -161.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 409 | P | 45.7 | Very low | 33.1 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -136.3 | 159.7 | 10.9 | 42.6 | -23.5 | 0 | 0 | 0 | 119.1 | ||||
| 410 | V | 31.4 | Very low | 33.5 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | trans | 41.9 | 125.2 | 138.4 | -179.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 411 | T | 29 | Very low | 34.8 | Very low | 114 Ų | 114 | 131 Ų | 131 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | -170.1 | 135.7 | 122.2 | 17.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 412 | H | 32.5 | Very low | 35.6 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | 54 | 109.3 | 152 | -53.6 | -47.6 | 0 | 0 | 0 | 124.4 | ||||
| 413 | S | 29.8 | Very low | 36.2 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | 76.3 | 121.6 | 119.8 | -53.2 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 414 | N | 31.6 | Very low | 36.3 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | 81.5 | 132.3 | 144.6 | -57.9 | -8.9 | 0 | 0 | 0 | 121.9 | ||||
| 415 | D | 31.4 | Very low | 36.3 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | 43 | 112.5 | 159.4 | -76.2 | -57.4 | 0 | 0 | 0 | 122.7 | ||||
| 416 | S | 32.7 | Very low | 36.6 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -149.2 | 145.4 | 150.1 | -157.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 417 | V | 37.4 | Very low | 36 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | cis | -143.8 | 131 | 43 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | I419 | V417-I419 HydrophobicContact CG1-CG1 4.06Š| ||
| 418 | V | 42.7 | Very low | 36.3 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | -86.4 | 106 | 160.2 | 176.2 | 0 | 0 | 0 | 0 | 108.6 | S420 | V418-S420 PolarHBondContact O-N 3.36Å; V418-S420 VanDerWaalsContact O-N 3.15Å | ||
| 419 | I | 41 | Very low | 36.2 | Very low | 150 Ų | 150 | 132 Ų | 132 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -69.1 | 112.5 | 173.3 | -63.5 | -179.1 | 0 | 0 | 0 | 108.4 | V417 | V417-I419 HydrophobicContact CG1-CG1 4.06Š| ||
| 420 | S | 36.8 | Very low | 35.7 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 130.1 | -177.9 | -65 | 0 | 0 | 0 | 0 | 111.2 | V418 | V418-S420 PolarHBondContact O-N 3.36Å; V418-S420 VanDerWaalsContact O-N 3.15Å |
| 421 | P | 53.8 | Low | 35.8 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 144.3 | 170.8 | 29.6 | -33.8 | 0 | 0 | 0 | 110.6 | ||
| 422 | P | 45.4 | Very low | 36.3 | Very low | 121 Ų | 121 | 143 Ų | 143 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 148.9 | 177.2 | 26.6 | -33.9 | 0 | 0 | 0 | 111.6 | ||
| 423 | P | 41 | Very low | 36.4 | Very low | 124 Ų | 124 | 146 Ų | 146 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 137.4 | -162 | 27.7 | -35.7 | 0 | 0 | 0 | 114.1 | ||
| 424 | Q | 35.1 | Very low | 36.5 | Very low | 174 Ų | 174 | 147.3 Ų | 147.3 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 138 | 158.9 | -64.6 | -178.6 | -20.1 | 0 | 0 | 109.6 | ||
| 425 | N | 28.9 | Very low | 36.4 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | -123.4 | 106.9 | 170.7 | -164 | -22.1 | 0 | 0 | 0 | 111.2 | ||||
| 426 | F | 33.1 | Very low | 36.3 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -113.8 | 111 | 172.2 | -89.7 | -80.7 | 0 | 0 | 0 | 109.6 | ||||
| 427 | K | 36 | Very low | 36.1 | Very low | 186 Ų | 186 | 147.2 Ų | 147.2 | 81% | 0.809 | 80% | 0.8 | S | S | * | * | 172.3 | 151.9 | 118 | -93.8 | 155.5 | -175.2 | 172.1 | 0 | 114.5 | |||||
| 428 | S | 33.4 | Very low | 35.7 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | 24.8 | 130.5 | 143.4 | -47.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 429 | G | 31.8 | Very low | 35.1 | Very low | 82 Ų | 82 | 145.2 Ų | 145.2 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | cis | 127.8 | 133 | 1.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 430 | R | 35.6 | Very low | 34.8 | Very low | 255 Ų | 255 | 142.9 Ų | 142.9 | 96% | 0.962 | 81% | 0.805 | S | S | * | * | trans | -153.7 | 117.3 | 173.3 | -161.9 | 179.7 | -166.4 | -171 | 6.2 | 110.7 | ||||
| 431 | G | 33.7 | Very low | 34.6 | Very low | 75 Ų | 75 | 144.6 Ų | 144.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -93 | 148 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 432 | R | 39.4 | Very low | 34 | Very low | 253 Ų | 253 | 145.8 Ų | 145.8 | 96% | 0.955 | 81% | 0.806 | S | S | * | * | trans | -133.6 | 146.8 | 150.3 | -87.7 | -168.6 | 171.1 | -114.3 | -0.2 | 109.6 | ||||
| 433 | R | 34.4 | Very low | 33.4 | Very low | 226 Ų | 226 | 149.7 Ų | 149.7 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -78.8 | 166.3 | 170.7 | -59.4 | 170.4 | -81.6 | 139.8 | -5.6 | 107.8 | ||||
| 434 | N | 31.1 | Very low | 32.9 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 66% | 0.663 | 81% | 0.81 | S | S | * | * | cis | -171 | 164.2 | 40.5 | -152.1 | 48.8 | 0 | 0 | 0 | 112.1 | ||||
| 435 | T | 29.1 | Very low | 32.9 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | trans | 37.9 | 110.5 | 149.9 | 49.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 436 | K | 30 | Very low | 33.1 | Very low | 204 Ų | 204 | 143.5 Ų | 143.5 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | 33.2 | 115.5 | 111.7 | -174.1 | -175.8 | -179.5 | -176.4 | 0 | 117.6 | |||||
| 437 | A | 27.6 | Very low | 33.3 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | -125.6 | 147.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 438 | G | 30.2 | Very low | 33.3 | Very low | 74 Ų | 74 | 144.6 Ų | 144.6 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | -166.1 | 134.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 439 | S | 29 | Very low | 33.1 | Very low | 127 Ų | 127 | 143 Ų | 143 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | -150.6 | 129.2 | -171.1 | 52.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 440 | S | 34.4 | Very low | 33 | Very low | 101 Ų | 101 | 143.8 Ų | 143.8 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | trans | -126.4 | 139.8 | 170.5 | 54.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 441 | D | 34.2 | Very low | 32.6 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 72.6 | 114.2 | 150.8 | -56.6 | -39.6 | 0 | 0 | 0 | 123.1 | ||||
| 442 | L | 39.8 | Very low | 32.4 | Very low | 138 Ų | 138 | 139 Ų | 139 | 72% | 0.723 | 81% | 0.814 | S | S | * | * | 80.5 | 144.5 | 119.3 | -66.6 | 170.7 | 0 | 0 | 0 | 123.6 | |||||
| 443 | F | 33.8 | Very low | 31.9 | Very low | 202 Ų | 202 | 135.1 Ų | 135.1 | 89% | 0.886 | 81% | 0.807 | S | S | * | * | trans | 63.9 | 148.1 | 175.2 | -55 | -79.4 | 0 | 0 | 0 | 116.2 | ||||
| 444 | G | 30.3 | Very low | 31.6 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | cis | -174.2 | -178.8 | -4.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 445 | A | 35.2 | Very low | 31.6 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | cis | -157.1 | -139.3 | -2.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 446 | D | 33.6 | Very low | 32.8 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -68 | 155.1 | -169.6 | -54.3 | -84.3 | 0 | 0 | 0 | 119.2 | ||||
| 447 | L | 36.1 | Very low | 32.8 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | trans | -149.5 | 143 | 149.4 | -165.6 | 61.7 | 0 | 0 | 0 | 112.4 | ||||
| 448 | F | 35.5 | Very low | 32.9 | Very low | 210 Ų | 210 | 127 Ų | 127 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -68.5 | 148.4 | -168.1 | -67.5 | -103.9 | 0 | 0 | 0 | 116.2 | ||||
| 449 | G | 30.1 | Very low | 33.2 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -170.6 | 133.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 450 | A | 28.8 | Very low | 33.3 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -121.4 | 150.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 451 | S | 28.5 | Very low | 33.4 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | 169.4 | 144.5 | 134.4 | -89.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 452 | S | 30.1 | Very low | 33.2 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 41.6 | 107 | 149.2 | -149.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 453 | E | 28.3 | Very low | 33 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | 87.6 | 145.3 | 57 | -166.9 | 177.4 | -111.3 | 0 | 0 | 114.6 | |||||
| 454 | T | 28.1 | Very low | 33.7 | Very low | 132 Ų | 132 | 132 Ų | 132 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | 91.2 | 131.1 | 176.3 | 69.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 455 | S | 31.4 | Very low | 33.8 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -124.2 | -159.2 | 175 | -31.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 456 | P | 52.8 | Low | 33.8 | Very low | 121 Ų | 121 | 138 Ų | 138 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | cis | -127.1 | -174.7 | -34.2 | 39.6 | -24.6 | 0 | 0 | 0 | 111.8 | ||||
| 457 | A | 30.6 | Very low | 33.6 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -172.2 | 140.5 | 146.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 458 | D | 30.6 | Very low | 33.6 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -89.6 | 153 | 173.2 | -57 | -92.7 | 0 | 0 | 0 | 113.2 | ||||
| 459 | L | 35.1 | Very low | 34.8 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | trans | -157.5 | 93.7 | 135.5 | -140.5 | 72 | 0 | 0 | 0 | 114.7 | ||||
| 460 | F | 32.9 | Very low | 34.9 | Very low | 180 Ų | 180 | 131.4 Ų | 131.4 | 79% | 0.789 | 79% | 0.793 | S | S | * | * | trans | 21.3 | 136 | 151.8 | -71.4 | -88.9 | 0 | 0 | 0 | 124.4 | ||||
| 461 | N | 36.4 | Very low | 35.1 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -50.3 | 160.4 | 164.3 | -60.8 | -48.4 | 0 | 0 | 0 | 115.6 | ||||
| 462 | N | 29.5 | Very low | 35.4 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | -173.9 | 139.5 | 103.4 | -92.1 | -39.2 | 0 | 0 | 0 | 115.4 | |||||
| 463 | T | 34.9 | Very low | 35.7 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -100.3 | 179 | 151.1 | 52 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 464 | P | 48.9 | Very low | 36 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | cis | -134.7 | -173.6 | 4.6 | 43.7 | -27.3 | 0 | 0 | 0 | 114.7 | ||||
| 465 | T | 31.6 | Very low | 36.2 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 92% | 0.92 | 80% | 0.798 | S | S | * | * | trans | -169.8 | 168.9 | 141.8 | 9.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 466 | N | 35.1 | Very low | 36.2 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -147.3 | 118.2 | -169.1 | 170.4 | 21.5 | 0 | 0 | 0 | 111.3 | ||||
| 467 | V | 30 | Very low | 35.3 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -154 | 138.6 | 171.2 | -167.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 468 | V | 36.6 | Very low | 35.5 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | trans | -155.5 | 155.4 | 172 | 171.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 469 | P | 60.1 | Low | 35.6 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | cis | -123.4 | -178 | -10.4 | 36.2 | -19.4 | 0 | 0 | 0 | 114.6 | ||||
| 470 | S | 31.9 | Very low | 35.5 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | 164.5 | 120.7 | 120.8 | -73.3 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 471 | S | 34.5 | Very low | 35.5 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | 58.6 | 129.8 | 127 | -54.6 | 0 | 0 | 0 | 0 | 126.7 | |||||
| 472 | M | 35 | Very low | 35.9 | Very low | 180 Ų | 180 | 131.8 Ų | 131.8 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | 88.6 | 151.2 | 126.9 | 83.7 | -177.5 | -76.2 | 0 | 0 | 125.4 | |||||
| 473 | A | 34.6 | Very low | 36.6 | Very low | 92 Ų | 92 | 130.3 Ų | 130.3 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | 73.8 | 148.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 474 | A | 34.9 | Very low | 36.4 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | cis | -164.2 | 174.5 | -22.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 475 | L | 32.6 | Very low | 35.6 | Very low | 179 Ų | 179 | 129.6 Ų | 129.6 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | trans | -66.4 | 143.5 | 176.1 | -75.1 | 94.7 | 0 | 0 | 0 | 113 | ||||
| 476 | G | 32.2 | Very low | 35.4 | Very low | 82 Ų | 82 | 127.4 Ų | 127.4 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -145 | 112 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 477 | N | 32.6 | Very low | 35.3 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -112.9 | 120.9 | -169 | -171.5 | 16.6 | 0 | 0 | 0 | 111.3 | ||||
| 478 | L | 35.9 | Very low | 36 | Very low | 179 Ų | 179 | 126.1 Ų | 126.1 | 94% | 0.937 | 80% | 0.802 | S | S | * | * | trans | -139.6 | 141.2 | 167.3 | -80.7 | 179.5 | 0 | 0 | 0 | 110.1 | ||||
| 479 | Q | 31.5 | Very low | 35.7 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -137.3 | 121.3 | -154.2 | 177 | -174.6 | 7.4 | 0 | 0 | 112.1 | ||||
| 480 | L | 33.9 | Very low | 34.3 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 95% | 0.948 | 82% | 0.815 | S | S | * | * | trans | -145.2 | 138.4 | 157.5 | -71.2 | 178.8 | 0 | 0 | 0 | 108.9 | ||||
| 481 | G | 32.1 | Very low | 34.3 | Very low | 71 Ų | 71 | 127.1 Ų | 127.1 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | -121 | -157.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 482 | P | 45.4 | Very low | 34 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | cis | -125.6 | 171.6 | -1.7 | 40.9 | -27.1 | 0 | 0 | 0 | 114.3 | ||||
| 483 | P | 45.1 | Very low | 33.7 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | trans | -98 | 168.6 | 175.9 | 38.7 | -35 | 0 | 0 | 0 | 113.7 | ||||
| 484 | A | 30.5 | Very low | 33.5 | Very low | 87 Ų | 87 | 131.2 Ų | 131.2 | 72% | 0.719 | 82% | 0.821 | S | S | * | * | trans | -147.9 | 127.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 485 | T | 31 | Very low | 33.2 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | trans | 50.6 | 142.6 | 149.8 | 51.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 486 | S | 28.4 | Very low | 33.4 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | cis | -168.9 | 166.7 | -10.1 | 48.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 487 | V | 33.1 | Very low | 34 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -133.7 | 132.2 | 174.6 | -170.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 488 | P | 43.5 | Very low | 34.2 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -143.9 | 166.8 | 135.8 | 33.7 | -17.4 | 0 | 0 | 0 | 112.6 | ||||
| 489 | A | 31.3 | Very low | 34.5 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | cis | -165.8 | -174.6 | -20.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 490 | M | 29.6 | Very low | 34.5 | Very low | 189 Ų | 189 | 123 Ų | 123 | 93% | 0.931 | 81% | 0.81 | S | S | * | * | trans | -55 | 147.9 | -176.9 | -132.2 | 74.1 | 71.8 | 0 | 0 | 116.1 | ||||
| 491 | G | 31.5 | Very low | 34.3 | Very low | 73 Ų | 73 | 120.2 Ų | 120.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 179.5 | 66.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 492 | V | 29.6 | Very low | 34.1 | Very low | 136 Ų | 136 | 122.7 Ų | 122.7 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | 22.2 | 134.5 | 150.4 | -159.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 493 | W | 28.6 | Very low | 33.6 | Very low | 261 Ų | 261 | 125.6 Ų | 125.6 | 99% | 0.989 | 79% | 0.79 | S | S | * | * | trans | 77.7 | 148 | 155 | -105.5 | 15.6 | 0 | 0 | 0 | 121.4 | ||||
| 494 | G | 29.4 | Very low | 32.8 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | 125.7 | 91 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 495 | S | 30.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 38.5 | 136.7 | 144.3 | 50.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 496 | S | 36.4 | Very low | 33.4 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -70.4 | 142.8 | 171 | 177.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 497 | P | 44.3 | Very low | 33.5 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -109.7 | 139.2 | 161.8 | 36.3 | -26.9 | 0 | 0 | 0 | 113.2 | ||||
| 498 | A | 37.1 | Very low | 33.4 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -101.1 | 138.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 499 | P | 42.5 | Very low | 32.8 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | trans | -81.4 | 147.9 | -178.4 | 32.4 | -34.7 | 0 | 0 | 0 | 112.6 | ||||
| 500 | A | 31.1 | Very low | 32.9 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | -145.7 | 128.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 501 | T | 29.6 | Very low | 33.5 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | -153.4 | 115.1 | 172.6 | 0.9 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 502 | M | 28.1 | Very low | 33.5 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 61% | 0.606 | 79% | 0.788 | S | S | * | * | 63.3 | 132.5 | 57.7 | -51.1 | -176.2 | -66.2 | 0 | 0 | 111.3 | |||||
| 503 | Y | 33.6 | Very low | 34.1 | Very low | 188 Ų | 188 | 126.2 Ų | 126.2 | 74% | 0.737 | 79% | 0.79 | S | S | * | * | cis | -140.2 | 148.2 | 19 | -72.8 | -86.6 | 0 | 0 | 0 | 110.6 | ||||
| 504 | H | 28.1 | Very low | 34.4 | Very low | 166 Ų | 166 | 124.9 Ų | 124.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | 71.9 | 115.4 | 64.6 | -102.1 | 96.5 | 0 | 0 | 0 | 116.7 | |||||
| 505 | M | 31.2 | Very low | 35.4 | Very low | 171 Ų | 171 | 127.2 Ų | 127.2 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -169.9 | 163.5 | 144.7 | -94.8 | -48.5 | 95.3 | 0 | 0 | 109.7 | ||||
| 506 | P | 44.3 | Very low | 35.4 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -116.2 | 169.7 | -143.2 | 38.5 | -25.2 | 0 | 0 | 0 | 116 | ||||
| 507 | G | 29.7 | Very low | 35.1 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -104.8 | -175 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 508 | I | 31.9 | Very low | 34.5 | Very low | 169 Ų | 169 | 130 Ų | 130 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -140.4 | 137.3 | -178.4 | -94.2 | 171.5 | 0 | 0 | 0 | 111.7 | ||||
| 509 | A | 30.3 | Very low | 34.4 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | 37.3 | 128.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 510 | A | 33.1 | Very low | 34.7 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | 85.8 | 153.8 | 133.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 511 | P | 43.7 | Very low | 34.9 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | trans | -135.2 | 149.9 | -158 | 38.5 | -18.2 | 0 | 0 | 0 | 119 | ||||
| 512 | G | 30.4 | Very low | 35.6 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | 82.9 | -176.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 513 | P | 42.3 | Very low | 35.6 | Very low | 131 Ų | 131 | 135 Ų | 135 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | cis | -126.8 | -157.7 | -1.9 | 42.4 | -26.2 | 0 | 0 | 0 | 114.4 | ||||
| 514 | R | 35.4 | Very low | 35.1 | Very low | 233 Ų | 233 | 130.7 Ų | 130.7 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -88.7 | -157.7 | 179.6 | -42.8 | 176.6 | -178.3 | 163.6 | -1 | 109.8 | ||||
| 515 | P | 50.7 | Low | 35.4 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | cis | -128.3 | -150.6 | -1.8 | 34 | -6.9 | 0 | 0 | 0 | 111.3 | ||||
| 516 | N | 30.1 | Very low | 35.5 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 60% | 0.604 | 78% | 0.777 | S | S | * | * | cis | -161 | 175.2 | 9.3 | -155.1 | 10.1 | 0 | 0 | 0 | 113.6 | ||||
| 517 | F | 30.2 | Very low | 34.7 | Very low | 172 Ų | 172 | 129 Ų | 129 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | 68.9 | 163.8 | 165.8 | -59.3 | -57 | 0 | 0 | 0 | 116 | ||||
| 518 | V | 30.9 | Very low | 35.2 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | cis | -119.4 | -169.9 | 2.2 | -141.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 519 | Q | 35.5 | Very low | 35.7 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -159.9 | 176.2 | -165.2 | -84.3 | -75.6 | -19.9 | 0 | 0 | 107.7 | ||||
| 520 | P | 48.8 | Very low | 36.5 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | cis | -131.9 | -169.8 | -8.6 | 32.9 | -10.7 | 0 | 0 | 0 | 113.9 | ||||
| 521 | A | 34.2 | Very low | 36.4 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -81.8 | -174.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 522 | P | 44.7 | Very low | 35.8 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | cis | -143.6 | -155.5 | 10.6 | 33.4 | -6.1 | 0 | 0 | 0 | 115 | ||||
| 523 | F | 27.6 | Very low | 36 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | trans | 85.5 | 133.6 | 163 | -73.6 | -72 | 0 | 0 | 0 | 122.1 | ||||
| 524 | A | 24.4 | Very low | 36.2 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | trans | 75.5 | 158.2 | 140.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 525 | V | 34.1 | Very low | 36.2 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -124.6 | 144.9 | -171.6 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | M527 | V525-M527 HydrophobicContact CG1-CB 4.41Š| ||
| 526 | P | 33.4 | Very low | 35.3 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -109.2 | 152.1 | 151 | 35.5 | -28.6 | 0 | 0 | 0 | 111.5 | ||||
| 527 | M | 27 | Very low | 35.5 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | -148.5 | 137 | -156.9 | 170.9 | 177.3 | 163.5 | 0 | 0 | 112.8 | V525 | V525-M527 HydrophobicContact CG1-CB 4.41Š| ||
| 528 | Q | 40.8 | Very low | 36.1 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | 68.2 | 159.4 | 164.4 | -73.2 | -66.2 | -52.7 | 0 | 0 | 115 | ||||
| 529 | P | 41.9 | Very low | 36 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | cis | -138 | -173.4 | 44.6 | 39.8 | -18.6 | 0 | 0 | 0 | 116 | ||||
| 530 | P | 47.6 | Very low | 35.7 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | cis | -139.5 | 175.9 | -47 | 39.9 | -24.5 | 0 | 0 | 0 | 115.8 | ||||
| 531 | A | 30.8 | Very low | 34.7 | Very low | 74 Ų | 74 | 129.2 Ų | 129.2 | 61% | 0.612 | 75% | 0.753 | S | S | * | * | trans | 96.5 | 111.5 | 135.8 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 532 | W | 30.3 | Very low | 34.7 | Very low | 259 Ų | 259 | 130.7 Ų | 130.7 | 98% | 0.981 | 76% | 0.758 | S | S | * | * | trans | 83.9 | 149.3 | 135.7 | -65 | 28.4 | 0 | 0 | 0 | 119.9 | ||||
| 533 | G | 35.8 | Very low | 34.2 | Very low | 73 Ų | 73 | 131.6 Ų | 131.6 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | -109.4 | -150.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 534 | P | 45.3 | Very low | 35.1 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | cis | -112.8 | 167.2 | 12.2 | 38.7 | -24 | 0 | 0 | 0 | 114 | ||||
| 535 | Q | 36.2 | Very low | 35.5 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | 40.6 | 128.3 | 78.4 | -60.2 | -80.2 | -13.4 | 0 | 0 | 113.1 | |||||
| 536 | V | 31.3 | Very low | 35.5 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | cis | -144.5 | 142.9 | 29.8 | -79 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 537 | A | 35 | Very low | 36.7 | Very low | 83 Ų | 83 | 130.7 Ų | 130.7 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | 69.3 | 158.3 | 79.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 538 | P | 42.3 | Very low | 38.2 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | cis | -136.7 | 157.5 | 2.8 | 39.1 | -20.9 | 0 | 0 | 0 | 117.6 | ||||
| 539 | Q | 28.8 | Very low | 37.7 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | trans | 53.4 | 147.1 | 136.3 | -55.5 | -64.9 | -47.3 | 0 | 0 | 120.4 | ||||
| 540 | F | 29.3 | Very low | 37.4 | Very low | 199 Ų | 199 | 130.1 Ų | 130.1 | 87% | 0.873 | 76% | 0.763 | S | S | * | * | cis | -146 | 157.3 | 42.3 | -98.8 | -89.3 | 0 | 0 | 0 | 115.1 | ||||
| 541 | S | 27.9 | Very low | 36.4 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -110 | 174.9 | 179.6 | 56 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 542 | S | 34 | Very low | 36.2 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -67.4 | 160.3 | -171.5 | -46.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 543 | P | 34.6 | Very low | 36.1 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | trans | -80.2 | 158 | 175.4 | 33.2 | -36.7 | 0 | 0 | 0 | 114.4 | ||||
| 544 | P | 46 | Very low | 36.5 | Very low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -100.3 | -165.9 | -176 | 40.5 | -37.4 | 0 | 0 | 0 | 115.3 | ||||
| 545 | L | 33 | Very low | 36.2 | Very low | 173 Ų | 173 | 138 Ų | 138 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -99.6 | 171.5 | -165.8 | -62.4 | 83.9 | 0 | 0 | 0 | 115.2 | ||||
| 546 | S | 33.9 | Very low | 35.9 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -84.5 | -168.9 | 174.5 | -29.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 547 | P | 59.5 | Low | 36.8 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | cis | -126.1 | -122.4 | -12.9 | 37.6 | -15.7 | 0 | 0 | 0 | 110.4 | ||||
| 548 | P | 58.2 | Low | 36.6 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | cis | -127.5 | 175.1 | -47.8 | 38.3 | -22 | 0 | 0 | 0 | 115.5 | ||||
| 549 | H | 29.8 | Very low | 36.3 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | 158.9 | 139.7 | 113.4 | 77.4 | -73.7 | 0 | 0 | 0 | 117 | |||||
| 550 | L | 34.9 | Very low | 36.7 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | 50.8 | 135 | 149.4 | -65.5 | 170 | 0 | 0 | 0 | 126.6 | ||||
| 551 | Q | 27.2 | Very low | 36.7 | Very low | 166 Ų | 166 | 137 Ų | 137 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 83.1 | 109 | 139.5 | -81.2 | 177.9 | -77.2 | 0 | 0 | 125.5 | ||||
| 552 | W | 26.9 | Very low | 37.1 | Very low | 242 Ų | 242 | 139 Ų | 139 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | 81.2 | 159.6 | 123.5 | -154.9 | -98.5 | 0 | 0 | 0 | 121.9 | |||||
| 553 | A | 27.8 | Very low | 36.9 | Very low | 78 Ų | 78 | 139.5 Ų | 139.5 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | trans | 70.9 | 124.8 | 175 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 554 | Q | 45.5 | Very low | 36.8 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -92.2 | 140.5 | 160.9 | -64.5 | -92.4 | -62.9 | 0 | 0 | 109.2 | ||||
| 555 | P | 37.6 | Very low | 36.1 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -99.5 | 149.3 | 164.6 | 35.2 | -30 | 0 | 0 | 0 | 112.7 | ||||
| 556 | A | 29.7 | Very low | 36.1 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -107.6 | -168.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 557 | P | 50.9 | Low | 36.1 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -88 | 167.7 | -159.2 | 37 | -38.9 | 0 | 0 | 0 | 115.4 | ||||
| 558 | S | 30 | Very low | 34.8 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -140 | 114 | 165.1 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 559 | N | 35.9 | Very low | 34.1 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -69.4 | 155 | 161.1 | -79.5 | -6.7 | 0 | 0 | 0 | 110.2 | ||||
| 560 | P | 37.3 | Very low | 34.2 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -126.4 | 142.8 | 135 | 35.3 | -27.3 | 0 | 0 | 0 | 111.9 | ||||
| 561 | F | 30.6 | Very low | 34.3 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -127.6 | 137 | 168.3 | -160.6 | -112.7 | 0 | 0 | 0 | 107.8 | ||||
| 562 | Q | 35.3 | Very low | 34.9 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 66% | 0.659 | 80% | 0.801 | S | S | * | * | trans | 67.5 | 135 | -169 | -42.3 | -59.3 | 0.9 | 0 | 0 | 113.8 | ||||
| 563 | T | 30.9 | Very low | 35.7 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | cis | -151.4 | 141.9 | 43.1 | -73.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 564 | M | 32.5 | Very low | 36.2 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | trans | 69.2 | 114.5 | 160 | -165.7 | 178.8 | -61.3 | 0 | 0 | 118.5 | ||||
| 565 | G | 31.8 | Very low | 35.7 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | 153.4 | 61.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 566 | D | 32.8 | Very low | 35.6 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | 50.8 | 114.1 | 153.2 | -141.2 | 50.3 | 0 | 0 | 0 | 123.2 | ||||
| 567 | Q | 33.1 | Very low | 36.1 | Very low | 174 Ų | 174 | 140 Ų | 140 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | 52.7 | 118.3 | 143 | -65.3 | 178.9 | 75 | 0 | 0 | 123.3 | ||||
| 568 | G | 33.2 | Very low | 35.2 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 152.9 | 122.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 569 | P | 41.6 | Very low | 35.5 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 155.7 | -170.7 | 32.8 | -35.7 | 0 | 0 | 0 | 116 | ||
| 570 | S | 32.7 | Very low | 35.2 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 149.7 | -167.8 | 55.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 571 | R | 38 | Very low | 34.9 | Very low | 237 Ų | 237 | 144.8 Ų | 144.8 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 139.3 | 172.9 | 178.7 | -175.5 | 178.6 | -167.8 | 1.6 | 112.2 | ||
| 572 | P | 39.5 | Very low | 35.5 | Very low | 108 Ų | 108 | 142 Ų | 142 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 157 | -179.3 | 33 | -36.1 | 0 | 0 | 0 | 114.6 | ||
| 573 | P | 43.7 | Very low | 35.1 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 166.1 | 176 | 35.1 | -35.9 | 0 | 0 | 0 | 113.8 | ||
| 574 | P | 36.9 | Very low | 35.1 | Very low | 132 Ų | 132 | 144 Ų | 144 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78 | 159.4 | -175.6 | 32.3 | -36.8 | 0 | 0 | 0 | 114.5 | ||
| 575 | R | 35.1 | Very low | 35.4 | Very low | 240 Ų | 240 | 140.8 Ų | 140.8 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -115 | 136.7 | -173.4 | -164.9 | -176.8 | -168.7 | 178 | 4.4 | 112.2 | ||||
| 576 | P | 37.3 | Very low | 35.9 | Very low | 106 Ų | 106 | 144 Ų | 144 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | trans | -77.3 | 163.3 | 171.4 | 32.7 | -35.2 | 0 | 0 | 0 | 112.5 | ||||
| 577 | P | 39.3 | Very low | 36.2 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -79.5 | 153.6 | -172.8 | 32.5 | -36.5 | 0 | 0 | 0 | 114 | ||||
| 578 | A | 31.8 | Very low | 37 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -128.8 | 151.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 579 | K | 36.9 | Very low | 37.7 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -94.8 | 139.9 | 174.3 | -63.7 | 175.7 | 175.8 | 179.6 | 0 | 109.9 | ||||
| 580 | E | 28.9 | Very low | 37.5 | Very low | 192 Ų | 192 | 145 Ų | 145 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -166.3 | 158.5 | 139.8 | -117.2 | 173.7 | 156.2 | 0 | 0 | 112.8 | ||||
| 581 | T | 30.5 | Very low | 38.3 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -158.2 | 170.5 | -179.8 | 51.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 582 | P | 43.5 | Very low | 38.8 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | cis | -118.1 | -143.3 | -5.4 | 45.1 | -30.5 | 0 | 0 | 0 | 109.4 | ||||
| 583 | A | 28.2 | Very low | 39.1 | Very low | 93 Ų | 93 | 141.3 Ų | 141.3 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | cis | -156.8 | 142.4 | -8.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 584 | R | 28.9 | Very low | 39 | Very low | 212 Ų | 212 | 141.3 Ų | 141.3 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -160.5 | 139.2 | 137.8 | -175.7 | 164.4 | 165.9 | 132.7 | -6.6 | 109.6 | E586 | R584-E586 HydrophobicContact CG-CG 4.49Å; R584-E586 IonicContact CZ-OE1 3.17Å; R584-E586 IonicContact NE-OE1 2.78Å; R584-E586 PolarHBondContact NE-OE1 2.92Å; R584-E586 IonicContact NH2-OE1 2.71Å; R584-E586 PolarHBondContact NH2-OE1 3.38Å | ||
| 585 | V | 40.8 | Very low | 39.7 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -100 | 126.5 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 109.1 | N587 | V585-N587 WeakPolarHBondContact CG1-OD1 3.46Š| ||
| 586 | E | 40.3 | Very low | 40.5 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | -135.6 | 136.3 | 162.6 | -65 | -167.9 | 177 | 0 | 0 | 109.2 | R584 | R584-E586 HydrophobicContact CG-CG 4.49Å; R584-E586 IonicContact CZ-OE1 3.17Å; R584-E586 IonicContact NE-OE1 2.78Å; R584-E586 PolarHBondContact NE-OE1 2.92Å; R584-E586 IonicContact NH2-OE1 2.71Å; R584-E586 PolarHBondContact NH2-OE1 3.38Å | ||
| 587 | N | 40.6 | Very low | 40.4 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -109.8 | 101.1 | -157.7 | -47 | -70.9 | 0 | 0 | 0 | 111.7 | V585 | V585-N587 WeakPolarHBondContact CG1-OD1 3.46Š| ||
| 588 | S | 48.9 | Very low | 40.7 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -176 | 95.7 | 155.1 | -84.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 589 | A | 47.9 | Very low | 41.5 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -131.6 | 17.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 590 | F | 38.4 | Very low | 42.3 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -123.4 | 19.4 | -177.4 | -105.2 | -81.8 | 0 | 0 | 0 | 114.3 | ||
| 591 | T | 48.5 | Very low | 43.8 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -111.5 | 25.3 | 174.4 | -35 | 0 | 0 | 0 | 0 | 111.5 | ||
| 592 | A | 48.6 | Very low | 44.9 | Very low | 86 Ų | 86 | 138.6 Ų | 138.6 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -120.4 | -5.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 593 | L | 46.8 | Very low | 45.3 | Very low | 164 Ų | 164 | 139 Ų | 139 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | -144.1 | 61 | -179.9 | -71.3 | 177.7 | 0 | 0 | 0 | 111.1 | ||||
| 594 | D | 40.7 | Very low | 46.2 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | trans | -106.4 | 112.9 | 157.1 | 178.3 | -0.3 | 0 | 0 | 0 | 107.9 | L596 | D594-L596 PolarHBondContact O-N 3.29Å; D594-L596 PolarHBondContact OD1-N 2.93Å | ||
| 595 | P | 51.3 | Low | 47.5 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 5.3 | -178.7 | 34.2 | -35.7 | 0 | 0 | 0 | 114.3 | ||
| 596 | L | 51.4 | Low | 48.3 | Very low | 158 Ų | 158 | 135 Ų | 135 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 24.1 | 179.1 | -136.8 | 73.3 | 0 | 0 | 0 | 114.9 | D594 D598 | D594-L596 PolarHBondContact O-N 3.29Å; D594-L596 PolarHBondContact OD1-N 2.93Å; L596-D598 PolarHBondContact O-N 3.37Å |
| 597 | G | 35.3 | Very low | 49 | Very low | 60 Ų | 60 | 135.9 Ų | 135.9 | 62% | 0.619 | 75% | 0.746 | S | S | * | * | trans | -76.1 | 98.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 598 | D | 46.5 | Very low | 49.9 | Very low | 140 Ų | 140 | 138 Ų | 138 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | -49.1 | 132.8 | 176.4 | -108.7 | -43.7 | 0 | 0 | 0 | 114.4 | L596 | L596-D598 PolarHBondContact O-N 3.37Š| ||
| 599 | K | 48.3 | Very low | 50.4 | Low | 176 Ų | 176 | 139.2 Ų | 139.2 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | trans | 179 | 151.5 | 132.1 | -92.6 | 151.5 | -143.6 | 84.3 | 0 | 114 | ||||
| 600 | E | 54.6 | Low | 50.6 | Low | 139 Ų | 139 | 141.8 Ų | 141.8 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | 47.9 | 100.6 | 159.4 | 65.9 | -173.2 | 106.2 | 0 | 0 | 121.4 | K602 | E600-K602 PolarHBondContact O-N 3.23Å; E600-K602 VanDerWaalsContact O-N 3.15Å; E600-K602 IonicContact OE2-NZ 2.66Å; E600-K602 PolarHBondContact OE2-NZ 3.39Å | ||
| 601 | K | 58.8 | Low | 51.1 | Low | 209 Ų | 209 | 141.6 Ų | 141.6 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | trans | -62.5 | 108.2 | 164.1 | -62.9 | 177.9 | -179.8 | -179.5 | 0 | 111.3 | ||||
| 602 | K | 54.7 | Low | 51.3 | Low | 170 Ų | 170 | 143.9 Ų | 143.9 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | trans | -98.5 | 132.3 | 166.9 | -81.8 | -173.8 | 168.7 | 94.8 | 0 | 111.7 | E600 | E600-K602 PolarHBondContact O-N 3.23Å; E600-K602 VanDerWaalsContact O-N 3.15Å; E600-K602 IonicContact OE2-NZ 2.66Å; E600-K602 PolarHBondContact OE2-NZ 3.39Å | ||
| 603 | I | 51.5 | Low | 51.7 | Low | 131 Ų | 131 | 148 Ų | 148 | 67% | 0.672 | 75% | 0.75 | S | S | * | * | trans | -67.1 | 137.3 | -172.8 | -89 | 63 | 0 | 0 | 0 | 111.3 | K605 | I603-K605 HydrophobicContact CG2-CB 3.55Å; I603-K605 PolarHBondContact O-N 3.45Å | ||
| 604 | G | 48.1 | Very low | 51.5 | Low | 57 Ų | 57 | 144.8 Ų | 144.8 | 59% | 0.588 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 18.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 605 | K | 56.4 | Low | 51.6 | Low | 169 Ų | 169 | 149 Ų | 149 | 74% | 0.735 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -16 | -173.6 | -160.9 | 165.8 | -174.6 | 171.2 | 0 | 114.1 | I603 | I603-K605 HydrophobicContact CG2-CB 3.55Å; I603-K605 PolarHBondContact O-N 3.45Å |
| 606 | D | 55.8 | Low | 51.4 | Low | 110 Ų | 110 | 148.3 Ų | 148.3 | 59% | 0.588 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -96.4 | -23.1 | 178.4 | -80.2 | -40.1 | 0 | 0 | 0 | 114.7 | F608 K609 | D606-F608 PolarHBondContact O-N 2.92Å; D606-F608 VanDerWaalsContact O-N 3.17Å; D606-K609 PolarHBondContact O-N 3.37Å; D606-K609 IonicContact OD1-NZ 2.64Å; D606-K609 PolarHBondContact OD1-NZ 3.06Å |
| 607 | M | 56.9 | Low | 50.7 | Low | 159 Ų | 159 | 147 Ų | 147 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -65.2 | -21 | -180 | -66.8 | -165 | -70.8 | 0 | 0 | 113.8 | K609 | M607-K609 PolarHBondContact O-N 2.82Š|
| 608 | F | 58.1 | Low | 50.7 | Low | 186 Ų | 186 | 148.9 Ų | 148.9 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -85 | -3 | -174.4 | -127.2 | -89.5 | 0 | 0 | 0 | 115.3 | D606 | D606-F608 PolarHBondContact O-N 2.92Å; D606-F608 VanDerWaalsContact O-N 3.17Å |
| 609 | K | 60.5 | Low | 50.1 | Low | 139 Ų | 139 | 150.3 Ų | 150.3 | 60% | 0.604 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -83.3 | -18.5 | -176.8 | -71.6 | 174.7 | -175.7 | 154.9 | 0 | 114.6 | D606 M607 F611 | D606-K609 PolarHBondContact O-N 3.37Å; D606-K609 IonicContact OD1-NZ 2.64Å; D606-K609 PolarHBondContact OD1-NZ 3.06Å; M607-K609 PolarHBondContact O-N 2.82Å; K609-F611 VanDerWaalsContact C-N 3.34Å; K609-F611 PolarHBondContact O-N 3.09Å |
| 610 | N | 51.2 | Low | 49.8 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -85.5 | 5.7 | -170.2 | -70.9 | -7.1 | 0 | 0 | 0 | 115.3 | ||
| 611 | F | 50.1 | Low | 48.7 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -95.1 | 5.7 | -176.7 | -109.9 | -81.6 | 0 | 0 | 0 | 115.8 | K609 L613 | K609-F611 VanDerWaalsContact C-N 3.34Å; K609-F611 PolarHBondContact O-N 3.09Å; F611-L613 PolarHBondContact O-N 3.27Å |
| 612 | Q | 52.8 | Low | 47.7 | Very low | 185 Ų | 185 | 147.8 Ų | 147.8 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -98.5 | 50.4 | -180 | -64.9 | -171.2 | 26.5 | 0 | 0 | 113.9 | ||||
| 613 | L | 55.5 | Low | 46.7 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -153.2 | 54.5 | 174.6 | -118.7 | 163.6 | 0 | 0 | 0 | 115 | F611 | F611-L613 PolarHBondContact O-N 3.27Š| ||
| 614 | A | 42.1 | Very low | 45.9 | Very low | 97 Ų | 97 | 147 Ų | 147 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -134.6 | 100 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 615 | K | 44.3 | Very low | 45.1 | Very low | 203 Ų | 203 | 153.7 Ų | 153.7 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 127.1 | 172.8 | -77.7 | 176 | 175 | 172.4 | 0 | 110 | ||
| 616 | P | 47.2 | Very low | 44 | Very low | 115 Ų | 115 | 152.7 Ų | 152.7 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 149.8 | 164 | 30.5 | -33.1 | 0 | 0 | 0 | 110.6 | ||
| 617 | P | 36.5 | Very low | 42.8 | Very low | 131 Ų | 131 | 151.3 Ų | 151.3 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 149.4 | 175 | 30.4 | -34.8 | 0 | 0 | 0 | 111.5 | ||
| 618 | A | 34.6 | Very low | 41.7 | Very low | 99 Ų | 99 | 149.4 Ų | 149.4 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 142.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 619 | I | 35.1 | Very low | 40.3 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -131.9 | 139 | 163.4 | -64.6 | -177.4 | 0 | 0 | 0 | 106.7 | ||||
| 620 | P | 41 | Very low | 38.8 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -103.1 | 140.5 | -145.6 | 36.5 | -34.5 | 0 | 0 | 0 | 116.5 | ||||
| 621 | A | 32.3 | Very low | 37.6 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | -144.1 | 122.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 622 | R | 36.7 | Very low | 36.6 | Very low | 244 Ų | 244 | 136.4 Ų | 136.4 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -19.7 | 130.1 | 172.4 | -64.4 | 172.6 | 170.4 | 98.7 | -0.4 | 119.1 | ||||
| 623 | K | 34.3 | Very low | 36.1 | Very low | 211 Ų | 211 | 132.7 Ų | 132.7 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | 41.7 | 116.3 | 122.4 | -174.2 | -170 | -178.4 | -172.8 | 0 | 117.3 | |||||
| 624 | G | 33.9 | Very low | 34.9 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | cis | 145.6 | 150.9 | 1.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 625 | E | 31.5 | Very low | 34.4 | Very low | 197 Ų | 197 | 132 Ų | 132 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -143.4 | 176.5 | -175.6 | -138.5 | -179.1 | 131.3 | 0 | 0 | 114 | ||||
| 626 | V | 32.7 | Very low | 33.8 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -91.7 | 162.1 | -165.9 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 627 | A | 32.3 | Very low | 33.2 | Very low | 81 Ų | 81 | 132.3 Ų | 132.3 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | trans | -105.9 | 173.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 628 | S | 33.9 | Very low | 33.1 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | 79.8 | 152.9 | 157.9 | -63 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 629 | S | 27.6 | Very low | 33.1 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | cis | -175.2 | 162.6 | -23 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 630 | A | 28.4 | Very low | 33.2 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 64.9 | 158.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 631 | A | 27.2 | Very low | 33 | Very low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | cis | -157.7 | 172.8 | -22.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 632 | A | 29.5 | Very low | 33.5 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -81.8 | -179.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 633 | P | 42.1 | Very low | 33.9 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | cis | -152.3 | 176.2 | 18.7 | 43.3 | -21.2 | 0 | 0 | 0 | 121.2 | ||||
| 634 | T | 29.8 | Very low | 34.3 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | trans | 75.7 | 146.8 | 144.9 | 46.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 635 | V | 31.5 | Very low | 35.1 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | trans | 101.8 | 94.9 | 155.8 | -165.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 636 | K | 32.1 | Very low | 36.1 | Very low | 170 Ų | 170 | 127.6 Ų | 127.6 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | 72.8 | 157.3 | 141.4 | -77.3 | 172.1 | 144.5 | -122 | 0 | 123.8 | ||||
| 637 | E | 33.4 | Very low | 36.3 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | trans | 60.7 | 100.6 | 156.4 | -78.3 | 135.2 | -130.6 | 0 | 0 | 119.2 | ||||
| 638 | S | 34.8 | Very low | 36.8 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 95% | 0.951 | 77% | 0.77 | S | S | * | * | trans | -95.3 | 114.3 | 163.5 | -55.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 639 | G | 34.1 | Very low | 37.1 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -164.7 | 23.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 640 | A | 37.4 | Very low | 37.4 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -158.5 | 123.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 641 | F | 36.5 | Very low | 37.7 | Very low | 179 Ų | 179 | 134 Ų | 134 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -137.9 | -23.3 | 162.2 | -159.7 | -101.4 | 0 | 0 | 0 | 112.7 | E643 | F641-E643 PolarHBondContact O-N 3.17Š|
| 642 | D | 43.8 | Very low | 38.1 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -70.1 | -11.3 | 174.8 | -61.1 | -81.3 | 0 | 0 | 0 | 115 | ||
| 643 | E | 46.1 | Very low | 38.4 | Very low | 130 Ų | 130 | 136 Ų | 136 | 61% | 0.607 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -83.8 | -14 | -176.9 | -158.4 | 166.6 | -165.1 | 0 | 0 | 113.6 | F641 F645 S646 | F641-E643 PolarHBondContact O-N 3.17Å; E643-F645 VanDerWaalsContact C-N 3.26Å; E643-F645 PolarHBondContact O-N 2.71Å; E643-S646 PolarHBondContact O-N 2.78Å |
| 644 | Y | 42.6 | Very low | 37.8 | Very low | 205 Ų | 205 | 138.9 Ų | 138.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -75.5 | -6.1 | -172 | -140.5 | -91.4 | 0 | 0 | 0 | 115.5 | ||
| 645 | F | 49.8 | Very low | 38.2 | Very low | 200 Ų | 200 | 136.7 Ų | 136.7 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -118.2 | -2.1 | 174.7 | -77.6 | -80.7 | 0 | 0 | 0 | 114 | E643 | E643-F645 VanDerWaalsContact C-N 3.26Å; E643-F645 PolarHBondContact O-N 2.71Å |
| 646 | S | 52.7 | Low | 38.7 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -122.8 | 9.3 | -159.4 | -57 | 0 | 0 | 0 | 0 | 115.1 | E643 | E643-S646 PolarHBondContact O-N 2.78Š|
| 647 | N | 37.4 | Very low | 39.2 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 65% | 0.652 | 77% | 0.768 | S | S | * | * | trans | -153.8 | 82 | 173.9 | -141 | -15.1 | 0 | 0 | 0 | 117.1 | ||||
| 648 | K | 42.6 | Very low | 40 | Very low | 206 Ų | 206 | 133.7 Ų | 133.7 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | trans | -163 | 107.2 | 131.8 | -117.8 | 175.2 | -176.6 | 178.1 | 0 | 114.1 | ||||
| 649 | V | 39.8 | Very low | 40.6 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | -86.4 | 150 | 159.9 | -84.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 650 | G | 33.7 | Very low | 40.9 | Very low | 65 Ų | 65 | 136.2 Ų | 136.2 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | trans | 143.1 | 117 | 152.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 651 | V | 35.4 | Very low | 41.2 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | 56.1 | 127.5 | 132.9 | -174 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 652 | A | 36 | Very low | 41.3 | Very low | 84 Ų | 84 | 140.4 Ų | 140.4 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | cis | -162.6 | -136.7 | -13.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 653 | Q | 33.9 | Very low | 41.1 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | cis | -169.4 | 136.8 | 2.7 | -179.8 | 46.3 | 27.6 | 0 | 0 | 110.6 | ||||
| 654 | E | 30.7 | Very low | 40.6 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | 62.1 | 151.9 | 163.4 | -117 | 153 | 137.6 | 0 | 0 | 118.9 | ||||
| 655 | A | 38.4 | Very low | 40.1 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | cis | -150.8 | 169.7 | 5.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 656 | A | 41.3 | Very low | 39.2 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | trans | 69.5 | 148.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 657 | D | 42.8 | Very low | 38.3 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | cis | -149.9 | 165.5 | -2.6 | -137.8 | 17.5 | 0 | 0 | 0 | 114.1 | ||||
| 658 | H | 49.8 | Very low | 38 | Very low | 144 Ų | 144 | 137 Ų | 137 | 67% | 0.667 | 77% | 0.765 | S | S | * | * | trans | -23.6 | 135.6 | -177.8 | -77.7 | -84.7 | 0 | 0 | 0 | 124.6 | ||||
| 659 | D | 46.8 | Very low | 37.5 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | 74.8 | 158.6 | 124.4 | -58.7 | -12 | 0 | 0 | 0 | 126 | |||||
| 660 | D | 42.3 | Very low | 37 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | 60.2 | 103.6 | 166.9 | -67.6 | -18.7 | 0 | 0 | 0 | 120.7 | ||||
| 661 | F | 42.6 | Very low | 36.8 | Very low | 208 Ų | 208 | 135.7 Ų | 135.7 | 91% | 0.912 | 76% | 0.756 | S | S | * | * | -168.2 | 120.2 | 91.6 | -109 | -73.7 | 0 | 0 | 0 | 112.3 | |||||
| 662 | D | 39.6 | Very low | 36.6 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | -103.6 | 124.2 | -169.3 | -147.6 | 29.9 | 0 | 0 | 0 | 113.9 | ||||
| 663 | I | 39.3 | Very low | 36.3 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 68% | 0.677 | 75% | 0.75 | S | S | * | * | trans | 56.5 | 150.4 | 130.2 | -79.5 | 179.1 | 0 | 0 | 0 | 122.9 | ||||
| 664 | S | 34.7 | Very low | 36.2 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 79.5 | 161.8 | 157.9 | 78.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 665 | R | 32.5 | Very low | 36.2 | Very low | 215 Ų | 215 | 131.3 Ų | 131.3 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | cis | -165.5 | 152.7 | -49.7 | -111.8 | -175.8 | 178 | -155.6 | 1.2 | 106.3 | ||||
| 666 | M | 31.6 | Very low | 35.9 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 77% | 0.768 | 76% | 0.755 | S | S | * | * | trans | 13.5 | 122 | 152.7 | -43.5 | -178.6 | -45.7 | 0 | 0 | 119.2 | ||||
| 667 | S | 32.5 | Very low | 35.3 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | -179.3 | 146.8 | 104.3 | -166.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 668 | S | 31.3 | Very low | 34.7 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -71.2 | 146.2 | 156.9 | 50.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 669 | L | 31.8 | Very low | 34.2 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 93% | 0.927 | 76% | 0.755 | S | S | * | * | -170.3 | 161.7 | 123.4 | -163.8 | 51.4 | 0 | 0 | 0 | 111.9 | |||||
| 670 | A | 29.7 | Very low | 33.3 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 58% | 0.579 | 76% | 0.756 | S | S | * | * | trans | -87.6 | 166.7 | -157.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 671 | N | 28.8 | Very low | 32.7 | Very low | 138 Ų | 138 | 137 Ų | 137 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 81.3 | 129.8 | 136.2 | -73.1 | 3.5 | 0 | 0 | 0 | 124.8 | ||||
| 672 | N | 32.1 | Very low | 32.2 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 72.5 | 153.2 | 140.2 | -60.3 | 6.2 | 0 | 0 | 0 | 119.4 | ||||
| 673 | D | 29.5 | Very low | 32.2 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | cis | -151.2 | 172.1 | 6 | -142.7 | -54.1 | 0 | 0 | 0 | 112.9 | ||||
| 674 | A | 33 | Very low | 31.9 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | trans | 68 | 135.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 675 | A | 30.7 | Very low | 32 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | cis | -161.6 | 162.5 | -2.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 676 | K | 31.6 | Very low | 31.9 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | 103 | 96.2 | 136.7 | -151.3 | 169.8 | -176.7 | 178.4 | 0 | 121.5 | ||||
| 677 | Q | 29.3 | Very low | 31.6 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | 79.7 | 108.6 | 135.4 | -69.5 | 172.7 | -25.3 | 0 | 0 | 123.1 | ||||
| 678 | V | 30 | Very low | 31.7 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | 57.8 | 137.3 | 118.7 | 177.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 679 | P | 39.2 | Very low | 32.3 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | cis | -127.4 | 151.5 | 12.4 | 22.3 | 1.2 | 0 | 0 | 0 | 118.3 | ||||
| 680 | V | 27 | Very low | 32 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 45.5 | 94.7 | 137 | -171.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 681 | Q | 30.6 | Very low | 32.1 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | 82.6 | 133.6 | 76 | -78.7 | 175.8 | -14.7 | 0 | 0 | 115 | |||||
| 682 | T | 30.8 | Very low | 32.3 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | cis | -159.9 | 162.3 | -8.3 | -1.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 683 | P | 40.5 | Very low | 32 | Very low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -117.8 | 170.2 | -178.6 | 41.7 | -30.6 | 0 | 0 | 0 | 116.1 | ||||
| 684 | A | 31.9 | Very low | 31.9 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 59.1 | 116.4 | 144.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 685 | Q | 38.4 | Very low | 31.8 | Very low | 187 Ų | 187 | 129.2 Ų | 129.2 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | 80.8 | 145.3 | 135 | -68.4 | -173.9 | -0.2 | 0 | 0 | 123.2 | ||||
| 686 | S | 28.9 | Very low | 31.8 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 63 | 132.6 | 165.4 | 74.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 687 | L | 26.6 | Very low | 31.6 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | 178.1 | 129.4 | 140.9 | -103 | 166.6 | 0 | 0 | 0 | 112.7 | ||||
| 688 | T | 33.5 | Very low | 31.7 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -148.4 | 162.9 | 151.9 | 55.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 689 | P | 43.7 | Very low | 31.8 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | cis | -126.7 | 172.9 | -0.2 | 41.1 | -27.2 | 0 | 0 | 0 | 115.3 | ||||
| 690 | G | 27 | Very low | 31.8 | Very low | 63 Ų | 63 | 129.1 Ų | 129.1 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | trans | 110.6 | 142.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 691 | L | 31.6 | Very low | 32.1 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 65.3 | 143.5 | 153.9 | -78.9 | 72.2 | 0 | 0 | 0 | 117.9 | ||||
| 692 | L | 32 | Very low | 32.6 | Very low | 149 Ų | 149 | 127.2 Ų | 127.2 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | cis | -154.4 | 148.9 | -3 | -105.4 | -178.1 | 0 | 0 | 0 | 111.6 | ||||
| 693 | D | 26.5 | Very low | 32.5 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 60.9 | 171.2 | 134 | -148.7 | 19.5 | 0 | 0 | 0 | 123.4 | ||||
| 694 | A | 27.7 | Very low | 31.9 | Very low | 88 Ų | 88 | 129.3 Ų | 129.3 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -86.8 | 158.2 | -156.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 695 | A | 29.7 | Very low | 31.9 | Very low | 79 Ų | 79 | 130 Ų | 130 | 65% | 0.653 | 79% | 0.793 | S | S | * | * | trans | -150.8 | 152.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 696 | F | 30.5 | Very low | 31.6 | Very low | 211 Ų | 211 | 125 Ų | 125 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | 84.9 | 120.1 | 171.4 | -54.5 | -67.9 | 0 | 0 | 0 | 119.3 | ||||
| 697 | S | 27.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -163.4 | 169.3 | 172.7 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 698 | S | 31.7 | Very low | 31.9 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 70.3 | 144.2 | -173.9 | -63 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 699 | A | 31.8 | Very low | 31.6 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | cis | -162.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 700 | P | 40.8 | Very low | 31 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | cis | -133.5 | -167.1 | 10.4 | 42.9 | -23.6 | 0 | 0 | 0 | 116.4 | ||||
| 701 | V | 32.8 | Very low | 31.1 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -99.6 | 171.8 | -169.5 | -142.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 702 | P | 39.8 | Very low | 30.9 | Very low | 118 Ų | 118 | 128 Ų | 128 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | -140.9 | 156.4 | 105.3 | 38.5 | -26.4 | 0 | 0 | 0 | 116.9 | |||||
| 703 | N | 30 | Very low | 30.9 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -10.1 | 156.5 | 166.8 | -57.5 | -11 | 0 | 0 | 0 | 120.4 | ||||
| 704 | N | 28.2 | Very low | 31.1 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | cis | -163.4 | 159.1 | 32.5 | -157.1 | 2.7 | 0 | 0 | 0 | 114.4 | ||||
| 705 | S | 31.8 | Very low | 31.5 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | 43.1 | 139.4 | 150.4 | 57.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 706 | A | 31.3 | Very low | 31.8 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | cis | -169.8 | 165.1 | -6.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 707 | Q | 32 | Very low | 32.3 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | 27 | 144.6 | 139.4 | -62.6 | 175.9 | -17.2 | 0 | 0 | 121.3 | ||||
| 708 | T | 29.4 | Very low | 32.8 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | cis | -174.4 | 170.7 | 2.7 | 18.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 709 | L | 28.6 | Very low | 33 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | 73.7 | 131.6 | 162.3 | -134.5 | 69.3 | 0 | 0 | 0 | 115.8 | ||||
| 710 | V | 30.1 | Very low | 33.3 | Very low | 113 Ų | 113 | 145 Ų | 145 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | cis | 115.9 | 122.9 | 9.7 | 171.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 711 | Q | 28.9 | Very low | 33.3 | Very low | 191 Ų | 191 | 143 Ų | 143 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | 65.3 | 150.2 | 174.4 | -70.5 | 168.9 | -39.8 | 0 | 0 | 117.8 | ||||
| 712 | G | 28 | Very low | 33.4 | Very low | 65 Ų | 65 | 147.4 Ų | 147.4 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | cis | 161.9 | 157.1 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 713 | F | 30.9 | Very low | 33 | Very low | 221 Ų | 221 | 145.8 Ų | 145.8 | 97% | 0.969 | 81% | 0.809 | S | S | * | * | trans | 73.4 | 151.6 | 169.9 | -76.7 | -88.3 | 0 | 0 | 0 | 121.8 | ||||
| 714 | G | 31.7 | Very low | 33.1 | Very low | 70 Ų | 70 | 143.3 Ų | 143.3 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | 85.6 | 91.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 715 | Q | 36.5 | Very low | 33.9 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | 78.7 | 142.1 | 59.1 | -125.2 | -171.7 | -50.8 | 0 | 0 | 116 | |||||
| 716 | D | 34.5 | Very low | 34.2 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | 64.8 | 89.3 | 163.7 | -48.5 | -28.2 | 0 | 0 | 0 | 121 | ||||
| 717 | M | 41.4 | Very low | 34.8 | Very low | 193 Ų | 193 | 146 Ų | 146 | 95% | 0.951 | 82% | 0.816 | S | S | * | * | trans | -141.7 | 31.8 | 158.1 | -84 | -163.4 | -75.7 | 0 | 0 | 113.5 | ||||
| 718 | F | 38.5 | Very low | 35.2 | Very low | 207 Ų | 207 | 144.9 Ų | 144.9 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | trans | -92.3 | -1.3 | 178.2 | -146.3 | -97.6 | 0 | 0 | 0 | 114.4 | ||||
| 719 | D | 35.5 | Very low | 35.9 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | -110.1 | 79.5 | 177.9 | -86.8 | -58.2 | 0 | 0 | 0 | 112.3 | ||||
| 720 | K | 38.4 | Very low | 35.9 | Very low | 209 Ų | 209 | 147.5 Ų | 147.5 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -164.3 | 45.5 | 165.2 | -118.8 | 150.2 | -168.7 | 162.7 | 0 | 115.4 | ||||
| 721 | A | 41.8 | Very low | 35.8 | Very low | 85 Ų | 85 | 145.9 Ų | 145.9 | 70% | 0.702 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -140.1 | 33.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 722 | F | 34.4 | Very low | 36.2 | Very low | 224 Ų | 224 | 143.7 Ų | 143.7 | 98% | 0.982 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -168.3 | 142.4 | 151.9 | -96.5 | -64.7 | 0 | 0 | 0 | 110.7 | ||
| 723 | G | 30.8 | Very low | 36.9 | Very low | 84 Ų | 84 | 146.2 Ų | 146.2 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | 108.7 | 128 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 724 | A | 33 | Very low | 36.9 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | -122.9 | -172.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 725 | P | 44.1 | Very low | 36.8 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 68% | 0.682 | 82% | 0.82 | S | S | * | * | cis | -133.6 | 161.7 | -8.9 | 40.2 | -24.2 | 0 | 0 | 0 | 116 | ||||
| 726 | D | 37.9 | Very low | 36.4 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | 56.6 | 174 | 150 | -65.1 | -20.7 | 0 | 0 | 0 | 119.8 | ||||
| 727 | P | 43.9 | Very low | 36.1 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | cis | -130 | -171.2 | 0.7 | 43.5 | -26.8 | 0 | 0 | 0 | 116.5 | ||||
| 728 | N | 41.5 | Very low | 35.5 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -59.2 | 161.6 | -178.9 | -57.9 | -59.1 | 0 | 0 | 0 | 117 | ||||
| 729 | P | 42.9 | Very low | 35 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -138.8 | 118.3 | 136.5 | 35.4 | -20.6 | 0 | 0 | 0 | 115.1 | ||||
| 730 | F | 30.1 | Very low | 34.6 | Very low | 218 Ų | 218 | 134 Ų | 134 | 96% | 0.956 | 80% | 0.795 | S | S | * | * | -174.4 | 112.6 | 121.4 | -117 | -81.2 | 0 | 0 | 0 | 110.7 | |||||
| 731 | G | 27.3 | Very low | 34.1 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | 153.8 | 88.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 732 | V | 37.3 | Very low | 33.3 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 87% | 0.873 | 80% | 0.796 | S | S | * | * | trans | -86.6 | 165 | 175.3 | -87.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 733 | P | 43.2 | Very low | 33.1 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | cis | -130.7 | 168.1 | 7.5 | 26.2 | -2.8 | 0 | 0 | 0 | 117.6 | ||||
| 734 | M | 29.8 | Very low | 33.1 | Very low | 165 Ų | 165 | 125.3 Ų | 125.3 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -8.3 | 154.4 | 145.9 | -81.7 | 179.6 | 151.7 | 0 | 0 | 119.6 | ||||
| 735 | N | 29.3 | Very low | 33.3 | Very low | 114 Ų | 114 | 128 Ų | 128 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | cis | -160.4 | 147.7 | 27.7 | -140.7 | 7 | 0 | 0 | 0 | 116.9 | ||||
| 736 | T | 29.3 | Very low | 32.8 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | trans | 51.9 | 142.6 | 145.1 | 43.5 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 737 | V | 28.4 | Very low | 32.6 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | 76.7 | 147.3 | 149.1 | 162.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 738 | V | 28 | Very low | 32.2 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | cis | 164.6 | 130 | -39 | 143.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 739 | Q | 27.6 | Very low | 32 | Very low | 186 Ų | 186 | 128.3 Ų | 128.3 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | 61.3 | 163.8 | 160.7 | -80.8 | 177 | -35.9 | 0 | 0 | 121.7 | ||||
| 740 | A | 27.1 | Very low | 31.7 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | trans | 93.1 | 111.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 741 | S | 28.5 | Very low | 32.2 | Very low | 126 Ų | 126 | 126 Ų | 126 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | 47.3 | 118 | 124.1 | -51.3 | 0 | 0 | 0 | 0 | 121 | |||||
| 742 | G | 26.1 | Very low | 32.9 | Very low | 73 Ų | 73 | 125.4 Ų | 125.4 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | 131.6 | 121.3 | 122.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 743 | S | 29.1 | Very low | 33.2 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | 70.7 | 149 | 135.2 | -167.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 744 | T | 32 | Very low | 33.9 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | trans | 59.6 | 116.1 | 163.9 | 38.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 745 | D | 35.3 | Very low | 34.6 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | 70.7 | 162.7 | 53.3 | -162.5 | 14.7 | 0 | 0 | 0 | 112.6 | |||||
| 746 | V | 34.5 | Very low | 35.2 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 62% | 0.624 | 79% | 0.79 | S | S | * | * | trans | 88.1 | 102.3 | 176.9 | -170.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 747 | F | 34.5 | Very low | 35.5 | Very low | 210 Ų | 210 | 129.3 Ų | 129.3 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | 69.8 | 152.4 | 152.9 | -78.1 | -132 | 0 | 0 | 0 | 118.4 | ||||
| 748 | G | 34.6 | Very low | 35.8 | Very low | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | cis | -179.8 | 146.8 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 749 | D | 37 | Very low | 36.3 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -72.2 | 145.6 | -171.1 | -158.7 | -6.4 | 0 | 0 | 0 | 113.3 | ||||
| 750 | A | 36.9 | Very low | 36.8 | Very low | 79 Ų | 79 | 126.8 Ų | 126.8 | 65% | 0.653 | 80% | 0.799 | S | S | * | * | trans | -156.8 | 96.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 751 | F | 40.4 | Very low | 37.4 | Very low | 207 Ų | 207 | 129.3 Ų | 129.3 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | trans | 69.5 | 124.7 | 175.7 | -65.1 | -92.1 | 0 | 0 | 0 | 116.9 | ||||
| 752 | G | 42 | Very low | 38 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | cis | 151.8 | 110.3 | -5.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P754 | G752-P754 WeakPolarHBondContact O-CD 3.17Š| ||
| 753 | N | 43.9 | Very low | 38.8 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | -80.3 | 120.9 | 177.2 | -174.9 | 31.3 | 0 | 0 | 0 | 111.5 | F755 | N753-F755 PolarHBondContact O-N 3.41Š| ||
| 754 | P | 58.3 | Low | 39.6 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -85.5 | 104.1 | 177.3 | 32.9 | -31.2 | 0 | 0 | 0 | 111.5 | G752 | G752-P754 WeakPolarHBondContact O-CD 3.17Š|
| 755 | F | 43.4 | Very low | 40.2 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | 73.9 | 89.2 | 174.5 | -58.1 | -82 | 0 | 0 | 0 | 116.9 | N753 | N753-F755 PolarHBondContact O-N 3.41Š| ||
| 756 | A | 41.9 | Very low | 40.7 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 100% | 1.347 | 82% | 0.816 | S | S | * | * | 34.2 | 0 | 118.8 | 0 | 0 | 0 | 0 | 0 | 118.5 |
Retrieved 756 of 756 residues in 653.7 ms
(Link to these results)