| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.3 | Very low | 40.4 | Very low | 240 Ų | 240 | 169 Ų | 169 | 100% | 1.182 | 86% | 0.862 | S | S | * | * | 0 | 168.4 | 0 | -69.6 | -178.5 | 178 | 0 | 0 | 109.3 | |||||
| 2 | K | 37.3 | Very low | 41 | Very low | 191 Ų | 191 | 164.4 Ų | 164.4 | 83% | 0.83 | 85% | 0.852 | S | S | * | * | trans | -4.4 | 144.4 | 156.6 | -55.3 | 175.6 | -176.4 | 177.9 | 0 | 117.6 | ||||
| 3 | T | 41.9 | Very low | 41.1 | Very low | 134 Ų | 134 | 159.2 Ų | 159.2 | 82% | 0.822 | 85% | 0.848 | S | S | * | * | cis | -173.6 | 148.3 | -8.1 | 23.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 4 | S | 38.7 | Very low | 40.9 | Very low | 128 Ų | 128 | 160.6 Ų | 160.6 | 90% | 0.895 | 85% | 0.847 | S | S | * | * | trans | -126.5 | 137.9 | 169.4 | -162 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 5 | L | 47 | Very low | 41 | Very low | 165 Ų | 165 | 157.8 Ų | 157.8 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | trans | -73 | 137.6 | -157.1 | -65.3 | 164.1 | 0 | 0 | 0 | 114.6 | ||||
| 6 | V | 45.8 | Very low | 41.2 | Very low | 125 Ų | 125 | 154.9 Ų | 154.9 | 76% | 0.758 | 83% | 0.829 | S | S | * | * | trans | -44.9 | 137.5 | 163.3 | 175.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 7 | L | 41.4 | Very low | 41.2 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | -154.8 | 81.4 | 140.2 | -115.8 | 164.2 | 0 | 0 | 0 | 112 | S9 | L7-S9 PolarHBondContact O-N 2.64Š| ||
| 8 | N | 38.9 | Very low | 40.8 | Very low | 143 Ų | 143 | 155.6 Ų | 155.6 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | trans | -68.8 | 119.8 | 166.3 | -84.4 | -35.1 | 0 | 0 | 0 | 109.5 | R10 | N8-R10 PolarHBondContact O-N 3.24Š| ||
| 9 | S | 35.5 | Very low | 40.7 | Very low | 113 Ų | 113 | 152.4 Ų | 152.4 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -70.9 | 71.2 | 170.8 | -66.5 | 0 | 0 | 0 | 0 | 111.3 | L7 W11 | L7-S9 PolarHBondContact O-N 2.64Å; S9-W11 PolarHBondContact O-N 3.3Å; S9-W11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | R | 40.3 | Very low | 40.5 | Very low | 228 Ų | 228 | 155.5 Ų | 155.5 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -61.7 | 107 | 176.5 | -179.5 | -177.7 | -177 | -176.4 | 1.2 | 109.4 | N8 P12 | N8-R10 PolarHBondContact O-N 3.24Å; R10-P12 WeakPolarHBondContact O-CD 3.22Å | ||
| 11 | W | 42.2 | Very low | 40.2 | Very low | 230 Ų | 230 | 153.5 Ų | 153.5 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | -55.4 | 125.8 | 168 | -69.5 | 84.5 | 0 | 0 | 0 | 109.2 | S9 A13 | S9-W11 PolarHBondContact O-N 3.3Å; S9-W11 VanDerWaalsContact O-N 3.14Å; W11-A13 PolarHBondContact O-N 3.13Å | ||
| 12 | P | 47.7 | Very low | 40.3 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | trans | -72.8 | 94.1 | 172.9 | 29 | -32.4 | 0 | 0 | 0 | 108.9 | R10 E14 | R10-P12 WeakPolarHBondContact O-CD 3.22Å; P12-E14 PolarHBondContact O-N 3.4Å | ||
| 13 | A | 42.2 | Very low | 40.3 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -73.4 | 82.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | W11 | W11-A13 PolarHBondContact O-N 3.13Š| ||
| 14 | E | 38.1 | Very low | 40.4 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -87.9 | 112.3 | 166 | -74.1 | -156.8 | 146.7 | 0 | 0 | 110.6 | P12 V16 | P12-E14 PolarHBondContact O-N 3.4Å; E14-V16 PolarHBondContact O-N 3.21Å; E14-V16 VanDerWaalsContact O-N 3.15Å | ||
| 15 | T | 42.2 | Very low | 40.7 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -58.2 | 108.4 | 173.8 | -58.8 | 0 | 0 | 0 | 0 | 111 | M17 | T15-M17 HydrophobicContact CG2-CB 3.86Å; T15-M17 HydrophobicContact CG2-CG 3.92Å | ||
| 16 | V | 44.3 | Very low | 40.6 | Very low | 111 Ų | 111 | 142 Ų | 142 | 67% | 0.673 | 74% | 0.738 | S | S | * | * | trans | -117.9 | 62.9 | 150.7 | -166.1 | 0 | 0 | 0 | 0 | 108.5 | E14 F18 | E14-V16 PolarHBondContact O-N 3.21Å; E14-V16 VanDerWaalsContact O-N 3.15Å; V16-F18 HydrophobicContact CG1-CD2 3.44Å; V16-F18 VanDerWaalsContact CG1-CD2 3.44Å; V16-F18 HydrophobicContact CG1-CE2 3.48Å; V16-F18 VanDerWaalsContact CG1-CE2 3.48Å; V16-F18 HydrophobicContact CG1-CG 4.33Å; V16-F18 HydrophobicContact CG1-CZ 4.41Å; V16-F18 PolarHBondContact O-N 2.68Å | ||
| 17 | M | 41.5 | Very low | 40.7 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | -66 | 84.6 | 159.9 | -79.7 | -78.1 | -75 | 0 | 0 | 107.9 | T15 V19 | T15-M17 HydrophobicContact CG2-CB 3.86Å; T15-M17 HydrophobicContact CG2-CG 3.92Å; M17-V19 HydrophobicContact CB-CG2 4.49Å; M17-V19 HydrophobicContact CE-CG2 4.11Å; M17-V19 PolarHBondContact O-N 3.23Å | ||
| 18 | F | 34.4 | Very low | 40.9 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 77% | 0.768 | 74% | 0.739 | S | S | * | * | trans | -71.1 | 78.9 | 159.9 | -89.8 | -62.1 | 0 | 0 | 0 | 108.5 | V16 Y20 | V16-F18 HydrophobicContact CG1-CD2 3.44Å; V16-F18 VanDerWaalsContact CG1-CD2 3.44Å; V16-F18 HydrophobicContact CG1-CE2 3.48Å; V16-F18 VanDerWaalsContact CG1-CE2 3.48Å; V16-F18 HydrophobicContact CG1-CG 4.33Å; V16-F18 HydrophobicContact CG1-CZ 4.41Å; V16-F18 PolarHBondContact O-N 2.68Å; F18-Y20 PolarHBondContact O-N 2.99Å; F18-Y20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | V | 39.4 | Very low | 41.4 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 58% | 0.576 | 73% | 0.731 | S | S | * | * | trans | -61.3 | 103.7 | 154.6 | 177.3 | 0 | 0 | 0 | 0 | 105.8 | M17 D21 | M17-V19 HydrophobicContact CB-CG2 4.49Å; M17-V19 HydrophobicContact CE-CG2 4.11Å; M17-V19 PolarHBondContact O-N 3.23Å; V19-D21 HydrophobicContact CG1-CB 3.98Å | ||
| 20 | Y | 36.1 | Very low | 41.8 | Very low | 214 Ų | 214 | 144.7 Ų | 144.7 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | trans | -112.5 | 86.5 | 161.7 | -133.4 | -83.7 | 0 | 0 | 0 | 106.7 | F18 | F18-Y20 PolarHBondContact O-N 2.99Å; F18-Y20 VanDerWaalsContact O-N 3.09Å | ||
| 21 | D | 34 | Very low | 42.3 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | trans | -83.7 | 156.1 | -177.5 | -151 | -27.3 | 0 | 0 | 0 | 110.8 | V19 N23 | V19-D21 HydrophobicContact CG1-CB 3.98Å; D21-N23 PolarHBondContact O-N 3.45Å | ||
| 22 | S | 37.1 | Very low | 42.4 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 27.3 | 74.6 | 153.8 | -59.8 | 0 | 0 | 0 | 0 | 118 | ||
| 23 | N | 37.1 | Very low | 42.2 | Very low | 130 Ų | 130 | 139 Ų | 139 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | -154 | 29.7 | 158.1 | -130.5 | -99.6 | 0 | 0 | 0 | 115.6 | D21 | D21-N23 PolarHBondContact O-N 3.45Š| ||
| 24 | L | 44.3 | Very low | 42.1 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -118.1 | -20.3 | 172.3 | -162.8 | 66.9 | 0 | 0 | 0 | 113.4 | ||
| 25 | E | 45.5 | Very low | 42.2 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -93.9 | -26.1 | -175.2 | -60.5 | -165.5 | 173.6 | 0 | 0 | 113.9 | N28 | E25-N28 PolarHBondContact O-N 3.25Š|
| 26 | D | 44.8 | Very low | 41.7 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 50% | 0.497 | 75% | 0.746 | S | S | . | * | G | 310 helix | trans | -76.7 | -26.3 | -177.4 | -57.9 | -56.1 | 0 | 0 | 0 | 113.4 | N28 K29 | D26-N28 PolarHBondContact O-N 2.68Å; D26-N28 VanDerWaalsContact O-N 3.13Å; D26-K29 PolarHBondContact O-N 2.67Å |
| 27 | L | 48.3 | Very low | 41.3 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -69.7 | -5.9 | 175.9 | -132.8 | 155.8 | 0 | 0 | 0 | 112.7 | ||
| 28 | N | 44.9 | Very low | 40.9 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -112.7 | 15.6 | 178.3 | -159 | 74.8 | 0 | 0 | 0 | 113.7 | E25 D26 | E25-N28 PolarHBondContact O-N 3.25Å; D26-N28 PolarHBondContact O-N 2.68Å; D26-N28 VanDerWaalsContact O-N 3.13Å |
| 29 | K | 49.6 | Very low | 41.1 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 60% | 0.6 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -115.9 | -10.3 | 178.5 | -69 | 174.6 | -172.5 | 159.6 | 0 | 114.7 | D26 M31 | D26-K29 PolarHBondContact O-N 2.67Å; K29-M31 VanDerWaalsContact C-N 3.32Å; K29-M31 PolarHBondContact O-N 2.86Å |
| 30 | N | 44.2 | Very low | 40.8 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 33.3 | -173.3 | -160.9 | 24.3 | 0 | 0 | 0 | 114.6 | ||
| 31 | M | 50.2 | Low | 40.7 | Very low | 185 Ų | 185 | 132.4 Ų | 132.4 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.5 | 20.3 | 173.3 | -155.9 | 148.7 | 73.6 | 0 | 0 | 115.4 | K29 | K29-M31 VanDerWaalsContact C-N 3.32Å; K29-M31 PolarHBondContact O-N 2.86Å |
| 32 | E | 45.4 | Very low | 40.6 | Very low | 193 Ų | 193 | 131.5 Ų | 131.5 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -128.6 | 90.3 | 166.9 | -69.6 | -169.7 | -178.8 | 0 | 0 | 109.4 | ||
| 33 | G | 42.1 | Very low | 40.6 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 177.6 | 16.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 34 | V | 40.8 | Very low | 40.6 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -133.8 | 63.4 | 178.4 | -165.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 35 | V | 39.9 | Very low | 40.3 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -143.1 | 124 | 159 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 36 | G | 31.2 | Very low | 39.9 | Very low | 69 Ų | 69 | 127.1 Ų | 127.1 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 122.4 | 87.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 37 | S | 36.6 | Very low | 39.6 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | trans | 58.9 | 138.4 | 138.6 | -153.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 38 | G | 32.8 | Very low | 39.3 | Very low | 59 Ų | 59 | 127.4 Ų | 127.4 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | trans | 124.9 | 69.5 | 135.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 39 | N | 39.3 | Very low | 38.7 | Very low | 147 Ų | 147 | 126.3 Ų | 126.3 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | 60 | 129.2 | 138.8 | -63.7 | -5.8 | 0 | 0 | 0 | 123.1 | ||||
| 40 | F | 32.4 | Very low | 38.6 | Very low | 204 Ų | 204 | 130.4 Ų | 130.4 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | 54.3 | 134 | 140.1 | -78.2 | -98.5 | 0 | 0 | 0 | 120.1 | ||||
| 41 | A | 34.3 | Very low | 38.5 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 69% | 0.694 | 81% | 0.811 | S | S | * | * | cis | -160.5 | 163.9 | 13.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 42 | A | 32.2 | Very low | 38.4 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | 47.4 | 99.1 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 43 | A | 36.4 | Very low | 38.5 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -138.8 | 113.6 | 141.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 44 | T | 38 | Very low | 38.2 | Very low | 142 Ų | 142 | 130 Ų | 130 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | trans | -88 | 114.6 | -169.6 | -36.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 45 | A | 36.6 | Very low | 38.1 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -131.9 | 124.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 46 | A | 38.7 | Very low | 37.9 | Very low | 80 Ų | 80 | 130.7 Ų | 130.7 | 66% | 0.661 | 81% | 0.808 | S | S | * | * | trans | -116.8 | 147 | -161 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 47 | S | 38.4 | Very low | 38 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 82% | 0.817 | S | S | * | * | trans | 68.9 | 150.3 | 154.2 | -63 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 48 | Q | 40.7 | Very low | 37.9 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | cis | -158.2 | 146.4 | -10.2 | -117.1 | 162.8 | 60.5 | 0 | 0 | 108.9 | ||||
| 49 | C | 33.4 | Very low | 37.9 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -79.1 | 145 | 167.3 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 50 | R | 47.2 | Very low | 37.7 | Very low | 223 Ų | 223 | 129.9 Ų | 129.9 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | trans | -133 | 120.6 | 160.3 | -86.7 | -172.6 | 171.9 | 171.3 | -2.2 | 110.6 | ||||
| 51 | N | 42.6 | Very low | 37.8 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -79.3 | 146.4 | 166.5 | -66.2 | -43.5 | 0 | 0 | 0 | 109.8 | ||||
| 52 | L | 47.4 | Very low | 37.8 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | -131.1 | 144.5 | 150.9 | -96.4 | 98.3 | 0 | 0 | 0 | 109.6 | ||||
| 53 | M | 47.1 | Very low | 37.9 | Very low | 174 Ų | 174 | 129.1 Ų | 129.1 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -91.3 | 149.8 | 178.2 | -62.7 | 175.8 | -76.1 | 0 | 0 | 111.1 | ||||
| 54 | A | 35.8 | Very low | 37.7 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -152.6 | 120.6 | 148 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 55 | H | 40 | Very low | 37.5 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 85% | 0.847 | 82% | 0.817 | S | S | * | * | trans | -91.3 | 149.4 | 162.4 | -74.9 | -97.9 | 0 | 0 | 0 | 109.4 | ||||
| 56 | S | 34.1 | Very low | 37.5 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -161 | 149.3 | 143.4 | -84.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 57 | A | 33.9 | Very low | 37.5 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -144.8 | 149.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 58 | A | 34.9 | Very low | 37.1 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -144.7 | 119.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 59 | A | 33.7 | Very low | 37 | Very low | 100 Ų | 100 | 132 Ų | 132 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | 66.6 | 127.8 | 72.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 60 | A | 35.1 | Very low | 37.1 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | cis | -149 | 136.8 | 0.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 61 | A | 34.4 | Very low | 36.3 | Very low | 72 Ų | 72 | 129.1 Ų | 129.1 | 60% | 0.595 | 81% | 0.808 | S | S | * | * | 84.5 | 131.2 | 78.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 62 | F | 34.3 | Very low | 35.8 | Very low | 216 Ų | 216 | 126.4 Ų | 126.4 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | trans | 62.6 | 146.8 | 177.7 | -36.7 | -71.3 | 0 | 0 | 0 | 115 | ||||
| 63 | G | 33.4 | Very low | 35.3 | Very low | 79 Ų | 79 | 123.9 Ų | 123.9 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | cis | -161.4 | 166.4 | -8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 64 | G | 31.7 | Very low | 34.8 | Very low | 84 Ų | 84 | 120.4 Ų | 120.4 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | 112.3 | 120 | 86.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 65 | H | 34.3 | Very low | 34.5 | Very low | 190 Ų | 190 | 119 Ų | 119 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -46 | 133.7 | -169.9 | -93.1 | -112.5 | 0 | 0 | 0 | 120.5 | ||||
| 66 | A | 36.2 | Very low | 34.1 | Very low | 77 Ų | 77 | 120.7 Ų | 120.7 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | 54.7 | 134.5 | 118.8 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 67 | S | 38.1 | Very low | 34 | Very low | 106 Ų | 106 | 119.4 Ų | 119.4 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | 106.6 | 135 | 137.2 | -61.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 68 | N | 30.9 | Very low | 33.9 | Very low | 138 Ų | 138 | 119.1 Ų | 119.1 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 79.8 | 118.3 | 149.2 | -66.2 | -8.1 | 0 | 0 | 0 | 123.3 | ||||
| 69 | L | 39.1 | Very low | 34.1 | Very low | 154 Ų | 154 | 121.2 Ų | 121.2 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | 38.7 | 141.1 | 131.6 | -65.7 | 131 | 0 | 0 | 0 | 122.2 | ||||
| 70 | V | 35.4 | Very low | 34.1 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 169.4 | 144.9 | 112.1 | 155.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 71 | H | 30.7 | Very low | 34.3 | Very low | 166 Ų | 166 | 123.2 Ų | 123.2 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 51.3 | 110.3 | 162.1 | -65 | 146.6 | 0 | 0 | 0 | 125.8 | ||||
| 72 | S | 31.7 | Very low | 34.5 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | 34.1 | 122.1 | 109.3 | -48 | 0 | 0 | 0 | 0 | 125 | |||||
| 73 | S | 36.2 | Very low | 34.4 | Very low | 115 Ų | 115 | 120.1 Ų | 120.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | 73.4 | 132.2 | 122.4 | 70.1 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 74 | A | 36 | Very low | 34.5 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | 128.8 | 141.8 | 122.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 75 | G | 30.9 | Very low | 34.5 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | 85.1 | 151.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 76 | Y | 31.1 | Very low | 34.5 | Very low | 219 Ų | 219 | 118.6 Ų | 118.6 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | cis | -159.1 | 149.9 | -15.5 | 58.2 | -86.3 | 0 | 0 | 0 | 108.4 | ||||
| 77 | S | 31.4 | Very low | 34.4 | Very low | 103 Ų | 103 | 119.5 Ų | 119.5 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | cis | 87.5 | 120.5 | 24.5 | -165.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 78 | T | 33.5 | Very low | 34.1 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | cis | -74.9 | -122.4 | -4.2 | 40.7 | 0 | 0 | 0 | 0 | 113.2 | D80 | T78-D80 WeakPolarHBondContact CB-OD1 3.49Å; T78-D80 PolarHBondContact OG1-OD1 3.29Å | ||
| 79 | V | 38.4 | Very low | 34.1 | Very low | 136 Ų | 136 | 121.4 Ų | 121.4 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | cis | -150.5 | 166.4 | 22.6 | -71.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 80 | D | 34.3 | Very low | 33.7 | Very low | 121 Ų | 121 | 120.2 Ų | 120.2 | 65% | 0.647 | 74% | 0.744 | S | S | * | * | cis | -172.1 | 165.7 | -44.2 | -118.7 | 105.6 | 0 | 0 | 0 | 105.8 | T78 | T78-D80 WeakPolarHBondContact CB-OD1 3.49Å; T78-D80 PolarHBondContact OG1-OD1 3.29Å | ||
| 81 | V | 38.4 | Very low | 33.7 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | cis | -154.2 | 178.4 | 8.2 | 63.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 82 | S | 37.8 | Very low | 33.8 | Very low | 97 Ų | 97 | 116.7 Ų | 116.7 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | 70 | 165.6 | 165.3 | -74.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 83 | T | 32.1 | Very low | 33.9 | Very low | 126 Ų | 126 | 115.3 Ų | 115.3 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | cis | -164.2 | 156 | -6.9 | 18.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 84 | S | 35.5 | Very low | 33.9 | Very low | 96 Ų | 96 | 119.5 Ų | 119.5 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | cis | -177.7 | 150.3 | -18.9 | 48 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 85 | S | 32.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 122.3 Ų | 122.3 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | 61.8 | 138.5 | 178.3 | 65.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 86 | S | 34.4 | Very low | 33.7 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | cis | -170.7 | 164.4 | -5 | -96.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 87 | S | 33.2 | Very low | 33.7 | Very low | 96 Ų | 96 | 117.6 Ų | 117.6 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | cis | -169.4 | 171.3 | -13.5 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 88 | E | 32 | Very low | 33.9 | Very low | 165 Ų | 165 | 118.2 Ų | 118.2 | 77% | 0.771 | 76% | 0.758 | S | S | * | * | trans | 61 | 117.4 | 152.7 | -73.6 | -171.7 | 136.8 | 0 | 0 | 124.8 | ||||
| 89 | T | 31.9 | Very low | 33.9 | Very low | 118 Ų | 118 | 116.9 Ų | 116.9 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | trans | 71.1 | 145.6 | 134 | 65.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 90 | T | 30.9 | Very low | 34.5 | Very low | 129 Ų | 129 | 116.7 Ų | 116.7 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | cis | -158.2 | 161.9 | -2.4 | 2 | 0 | 0 | 0 | 0 | 112 | ||||
| 91 | A | 35.5 | Very low | 34.6 | Very low | 84 Ų | 84 | 116.7 Ų | 116.7 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | trans | 58.7 | 120 | 156.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 92 | S | 32.8 | Very low | 35.3 | Very low | 129 Ų | 129 | 117.1 Ų | 117.1 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | 67.2 | 125.6 | 72.4 | -59.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 93 | G | 33.3 | Very low | 35 | Very low | 71 Ų | 71 | 117 Ų | 117 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | cis | 159.8 | 153.8 | -9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 94 | K | 35.9 | Very low | 35.1 | Very low | 204 Ų | 204 | 116 Ų | 116 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | 46.8 | 148.4 | 165.9 | -63.4 | 179.2 | -179.3 | 178.3 | 0 | 119.8 | ||||
| 95 | Q | 33.2 | Very low | 35.1 | Very low | 159 Ų | 159 | 116.3 Ų | 116.3 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | cis | 169.9 | 146.1 | -17.9 | 168.4 | 175.1 | -8.1 | 0 | 0 | 107.1 | ||||
| 96 | C | 29.3 | Very low | 35.6 | Very low | 126 Ų | 126 | 117.1 Ų | 117.1 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | 66.9 | 163.3 | 171.7 | -76.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 97 | G | 31.9 | Very low | 36.4 | Very low | 68 Ų | 68 | 117.9 Ų | 117.9 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | 165.9 | -176.5 | -9.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 98 | A | 34.8 | Very low | 36.6 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 95% | 0.95 | 80% | 0.803 | S | S | * | * | trans | 68 | 156.3 | -179 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 99 | G | 33.5 | Very low | 36.7 | Very low | 74 Ų | 74 | 121.7 Ų | 121.7 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | -104.6 | -150.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 100 | P | 51.1 | Low | 36.8 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | cis | -131.3 | -169.5 | 16.4 | 42.9 | -25.9 | 0 | 0 | 0 | 115.4 | ||||
| 101 | C | 35.4 | Very low | 37.1 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -78.9 | 163.9 | 172.6 | -49.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 102 | P | 54 | Low | 37.2 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | -153.9 | 168.4 | 100.4 | 40.8 | -23.6 | 0 | 0 | 0 | 118.3 | |||||
| 103 | A | 32.1 | Very low | 37.4 | Very low | 94 Ų | 94 | 121.5 Ų | 121.5 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | 48.5 | 111.8 | 143 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 104 | A | 33.8 | Very low | 37.5 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 88% | 0.884 | 82% | 0.817 | S | S | * | * | 37.5 | 128.1 | 123.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 105 | A | 35.3 | Very low | 37.5 | Very low | 101 Ų | 101 | 119.5 Ų | 119.5 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -149.4 | 153.6 | 148.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 106 | V | 42.8 | Very low | 37.6 | Very low | 131 Ų | 131 | 116.5 Ų | 116.5 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -135.2 | 140.9 | 177.4 | -168.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 107 | P | 51.8 | Low | 38.3 | Very low | 128 Ų | 128 | 118.5 Ų | 118.5 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | trans | -119.6 | 171.3 | 153.5 | 35.6 | -25.3 | 0 | 0 | 0 | 112.7 | ||||
| 108 | H | 36.9 | Very low | 39.3 | Very low | 166 Ų | 166 | 120.7 Ų | 120.7 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -137.2 | 171.4 | -151.2 | -152.5 | -85.9 | 0 | 0 | 0 | 111.6 | ||||
| 109 | Q | 34.3 | Very low | 39.3 | Very low | 175 Ų | 175 | 125.3 Ų | 125.3 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | 77.8 | 161.9 | 169.3 | -50 | 176.5 | 22.1 | 0 | 0 | 117.6 | ||||
| 110 | S | 34.1 | Very low | 39.5 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | 179.3 | 132.5 | -55.6 | -96.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 111 | S | 37.9 | Very low | 39.1 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | trans | 65.2 | 163.9 | 163.5 | -51.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 112 | S | 37.1 | Very low | 39.4 | Very low | 126 Ų | 126 | 131 Ų | 131 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | cis | -138.1 | -177.7 | -0.7 | 57.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 113 | A | 36 | Very low | 38.4 | Very low | 102 Ų | 102 | 128 Ų | 128 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -117 | 157.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 114 | A | 37 | Very low | 38.5 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -157.2 | 111.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 115 | T | 35 | Very low | 38.5 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | 14.5 | 130 | 147.1 | 54.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 116 | A | 36.3 | Very low | 38.9 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -165.4 | 92.3 | 131.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 117 | L | 43.4 | Very low | 39 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | trans | 42.9 | 159.7 | 138 | -63.4 | -176.4 | 0 | 0 | 0 | 123.7 | ||||
| 118 | P | 53.5 | Low | 38.9 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | cis | -136.7 | 179.8 | -19 | 36.2 | -16.6 | 0 | 0 | 0 | 116.3 | ||||
| 119 | Y | 33.8 | Very low | 38.8 | Very low | 212 Ų | 212 | 136 Ų | 136 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | 84.6 | 95.4 | 144 | -149 | -105.1 | 0 | 0 | 0 | 122.2 | ||||
| 120 | S | 37.7 | Very low | 39.3 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | 66.4 | 156.1 | 126 | -56.7 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 121 | Y | 42.4 | Very low | 39.7 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | cis | -170 | 115.8 | -23.8 | 171.8 | -89.4 | 0 | 0 | 0 | 109 | ||||
| 122 | F | 41.5 | Very low | 39.7 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | 59.5 | 165.5 | 165.2 | -73.8 | -122 | 0 | 0 | 0 | 117 | ||||
| 123 | G | 34.5 | Very low | 39.9 | Very low | 60 Ų | 60 | 145.8 Ų | 145.8 | 62% | 0.619 | 78% | 0.781 | S | S | * | * | cis | 163.2 | 158.7 | -10.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 124 | N | 32.9 | Very low | 39.8 | Very low | 164 Ų | 164 | 146 Ų | 146 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | 68.4 | 151.7 | -179.8 | -123 | -4 | 0 | 0 | 0 | 115.2 | ||||
| 125 | S | 34.8 | Very low | 39.7 | Very low | 63 Ų | 63 | 147.1 Ų | 147.1 | 44% | 0.441 | 78% | 0.778 | S | S | . | * | cis | -146.6 | 132.7 | -2.3 | -158.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 126 | Y | 42.8 | Very low | 40.3 | Very low | 229 Ų | 229 | 147.1 Ų | 147.1 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -120.7 | 122 | 165.3 | -85.8 | -85.8 | 0 | 0 | 0 | 108.6 | P128 | Y126-P128 WeakPolarHBondContact O-CD 3.49Š| ||
| 127 | Y | 46.2 | Very low | 40.2 | Very low | 206 Ų | 206 | 151.8 Ų | 151.8 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -97.6 | 104.7 | 175.7 | -87.2 | -95.3 | 0 | 0 | 0 | 111.5 | C129 | Y127-C129 PolarHBondContact O-N 3.23Š| ||
| 128 | P | 48 | Very low | 39.6 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -86.3 | 97.5 | 164.2 | 32.8 | -32 | 0 | 0 | 0 | 110.2 | Y126 R130 | Y126-P128 WeakPolarHBondContact O-CD 3.49Å; P128-R130 PolarHBondContact O-N 2.65Å | ||
| 129 | C | 36.4 | Very low | 38.4 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -66.1 | 90.9 | 173.6 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | Y127 M131 | Y127-C129 PolarHBondContact O-N 3.23Å; C129-M131 PolarHBondContact O-N 3.45Å | ||
| 130 | R | 43.4 | Very low | 38.4 | Very low | 241 Ų | 241 | 146 Ų | 146 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -71.5 | 96 | 164.7 | -74.7 | -162.4 | -173.9 | -81.2 | 5.3 | 109.2 | P128 G132 | P128-R130 PolarHBondContact O-N 2.65Å; R130-G132 PolarHBondContact O-N 3.02Å | ||
| 131 | M | 42.1 | Very low | 38.3 | Very low | 178 Ų | 178 | 150 Ų | 150 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -64.5 | 130.2 | 163.1 | -163 | 66.2 | -171.2 | 0 | 0 | 108.8 | C129 R133 | C129-M131 PolarHBondContact O-N 3.45Å; M131-R133 PolarHBondContact O-N 2.88Å | ||
| 132 | G | 38.8 | Very low | 37.8 | Very low | 64 Ų | 64 | 145.5 Ų | 145.5 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | trans | -61.1 | 133.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R130 S134 | R130-G132 PolarHBondContact O-N 3.02Å; G132-S134 PolarHBondContact O-N 3.27Å | ||
| 133 | R | 42.3 | Very low | 37.5 | Very low | 250 Ų | 250 | 142.9 Ų | 142.9 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | trans | -79.2 | 111.8 | 168.1 | -81.5 | -173.9 | 164 | -144.9 | -3.5 | 108.8 | M131 S135 | M131-R133 PolarHBondContact O-N 2.88Å; R133-S135 PolarHBondContact O-N 3.44Å | ||
| 134 | S | 33.4 | Very low | 37.4 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -53.1 | 130.3 | 164.5 | -40.8 | 0 | 0 | 0 | 0 | 109.3 | G132 | G132-S134 PolarHBondContact O-N 3.27Š| ||
| 135 | S | 35.2 | Very low | 37.6 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -67.8 | 142.1 | 174.6 | -164.7 | 0 | 0 | 0 | 0 | 110.2 | R133 | R133-S135 PolarHBondContact O-N 3.44Š| ||
| 136 | I | 46.2 | Very low | 37.7 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 73% | 0.728 | 81% | 0.808 | S | S | * | * | trans | -139.7 | 149.7 | 175.2 | 49.3 | 170.8 | 0 | 0 | 0 | 109.4 | ||||
| 137 | K | 35.5 | Very low | 37.4 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | 82.7 | 150.2 | -164.7 | -52.6 | 168.4 | -177.8 | -176.3 | 0 | 113.7 | ||||
| 138 | S | 29.8 | Very low | 36.8 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | cis | 165.4 | 155 | -36.2 | -94.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 139 | C | 29.5 | Very low | 36.1 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | 67 | 156.7 | -177 | 94.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 140 | T | 33.4 | Very low | 36.2 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | cis | -108.1 | -157.6 | 24.9 | 48.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 141 | Q | 35.8 | Very low | 35.6 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -132.9 | 142.7 | -151.6 | 163.9 | -169.3 | 79.3 | 0 | 0 | 111.9 | T143 | Q141-T143 HydrophobicContact CG-CG2 4.29Š| ||
| 142 | A | 32.1 | Very low | 35.8 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | -153.5 | 113.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 143 | T | 34.8 | Very low | 35.4 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | 53.6 | 96.2 | 70.4 | 68.1 | 0 | 0 | 0 | 0 | 113.6 | Q141 | Q141-T143 HydrophobicContact CG-CG2 4.29Š| |||
| 144 | G | 33.1 | Very low | 35.3 | Very low | 78 Ų | 78 | 132.3 Ų | 132.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -173.4 | 95.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 145 | A | 35.8 | Very low | 35.6 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | 34.9 | 122.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 146 | A | 36.6 | Very low | 35.6 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -84.3 | 150.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 147 | L | 36.9 | Very low | 35.2 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -165.3 | 158.8 | 159.8 | -114.4 | 169.6 | 0 | 0 | 0 | 112.6 | ||||
| 148 | S | 32.7 | Very low | 35.8 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | 65.3 | 102.8 | 166.8 | -150.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 149 | S | 35 | Very low | 36.1 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -94.5 | 133.7 | 153.5 | 172 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 150 | Q | 37 | Very low | 36.2 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -176.6 | 118.7 | 143.4 | -100.5 | 171.6 | 23.2 | 0 | 0 | 107.1 | ||||
| 151 | Y | 31.1 | Very low | 36.7 | Very low | 191 Ų | 191 | 138.1 Ų | 138.1 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | 79.5 | 96.7 | 72.1 | -162.7 | -78.2 | 0 | 0 | 0 | 113 | |||||
| 152 | M | 46.5 | Very low | 37.3 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | -161.3 | 137.5 | 125.9 | -97.9 | -58.3 | 168.3 | 0 | 0 | 108.1 | |||||
| 153 | D | 30.9 | Very low | 37.7 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -125.3 | 129.4 | 176.5 | -172 | 2.7 | 0 | 0 | 0 | 107.6 | ||||
| 154 | T | 39.2 | Very low | 38.4 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | -144.4 | 101.9 | -174.7 | -53.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 155 | T | 41.3 | Very low | 38.4 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | trans | -88.6 | 112.5 | 177.7 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 156 | V | 34.9 | Very low | 38.6 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -146.5 | 132.9 | 156.3 | -168.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 157 | N | 36.4 | Very low | 38.5 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -170.9 | 152.8 | 171.5 | -170.8 | 43.1 | 0 | 0 | 0 | 108.5 | ||||
| 158 | P | 48.1 | Very low | 38.7 | Very low | 94 Ų | 94 | 147.5 Ų | 147.5 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | cis | -104.1 | 175.4 | -23.1 | 40.3 | -30.3 | 0 | 0 | 0 | 111.6 | ||||
| 159 | D | 37 | Very low | 38.6 | Very low | 158 Ų | 158 | 151.2 Ų | 151.2 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | 176.5 | 175.1 | 117.4 | -108.2 | -44.6 | 0 | 0 | 0 | 113 | |||||
| 160 | E | 32.3 | Very low | 39 | Very low | 184 Ų | 184 | 152.9 Ų | 152.9 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 70.2 | 110 | 163.1 | -143 | 165.2 | -166.6 | 0 | 0 | 119 | ||||
| 161 | Y | 42.1 | Very low | 39.2 | Very low | 202 Ų | 202 | 151 Ų | 151 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | -117.4 | 119.5 | 177.2 | -173.5 | -84.4 | 0 | 0 | 0 | 110.8 | N163 | Y161-N163 HydrophobicContact CD1-CB 4.5Å; Y161-N163 HydrophobicContact CE1-CB 4Å | ||
| 162 | P | 49 | Very low | 40 | Very low | 93 Ų | 93 | 151.8 Ų | 151.8 | 60% | 0.604 | 77% | 0.765 | S | S | * | * | trans | -135.4 | 87.2 | 152.7 | 33.3 | -17.3 | 0 | 0 | 0 | 113.5 | H164 | P162-H164 PolarHBondContact O-CD2 2.98Å; P162-H164 PolarHBondContact O-N 2.92Å | ||
| 163 | N | 40.9 | Very low | 39.5 | Very low | 126 Ų | 126 | 153.6 Ų | 153.6 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | 36.6 | 57.2 | 128.7 | -156.1 | -10.3 | 0 | 0 | 0 | 118.4 | Y161 R165 | Y161-N163 HydrophobicContact CD1-CB 4.5Å; Y161-N163 HydrophobicContact CE1-CB 4Å; N163-R165 PolarHBondContact O-N 3.49Å; N163-R165 VanDerWaalsContact O-N 3.14Å | |||
| 164 | H | 48.7 | Very low | 39.9 | Very low | 192 Ų | 192 | 149.9 Ų | 149.9 | 89% | 0.889 | 77% | 0.766 | S | S | * | * | trans | -78.9 | 96.7 | 172.4 | -94.6 | -85.3 | 0 | 0 | 0 | 112.1 | P162 | P162-H164 PolarHBondContact O-CD2 2.98Å; P162-H164 PolarHBondContact O-N 2.92Å | ||
| 165 | R | 34.7 | Very low | 40.1 | Very low | 228 Ų | 228 | 155.8 Ų | 155.8 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -74.3 | 124.6 | 177.9 | -179.6 | 179.6 | -176.3 | 161.4 | 0.9 | 112.1 | N163 | N163-R165 PolarHBondContact O-N 3.49Å; N163-R165 VanDerWaalsContact O-N 3.14Å | ||
| 166 | A | 39.5 | Very low | 40.4 | Very low | 87 Ų | 87 | 154.6 Ų | 154.6 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | 57.1 | 112.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 167 | K | 34.8 | Very low | 40.6 | Very low | 163 Ų | 163 | 155.1 Ų | 155.1 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | -161.2 | 136.7 | 116.6 | -108.8 | 179.1 | 173.5 | -74.5 | 0 | 113 | |||||
| 168 | E | 40.3 | Very low | 41.4 | Very low | 145 Ų | 145 | 153.2 Ų | 153.2 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | 31.6 | 105.8 | 139.3 | -66.7 | 142.4 | -148.8 | 0 | 0 | 119.6 | ||||
| 169 | F | 31.6 | Very low | 41.1 | Very low | 191 Ų | 191 | 159.6 Ų | 159.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -151.6 | 95.1 | 138.3 | -136.9 | -90.9 | 0 | 0 | 0 | 112.5 | F171 | F169-F171 HydrophobicContact CD1-CB 3.84Å; F169-F171 HydrophobicContact CE1-CB 3.98Å; F169-F171 PolarHBondContact O-N 3.39Å | ||
| 170 | T | 43.1 | Very low | 41.7 | Very low | 146 Ų | 146 | 160.2 Ų | 160.2 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -80.1 | 94.4 | 171.2 | 41.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 171 | F | 40.1 | Very low | 42.5 | Very low | 141 Ų | 141 | 156.7 Ų | 156.7 | 62% | 0.618 | 78% | 0.781 | S | S | * | * | trans | -146.4 | 87.4 | 171.9 | -162 | -94.8 | 0 | 0 | 0 | 112.7 | F169 | F169-F171 HydrophobicContact CD1-CB 3.84Å; F169-F171 HydrophobicContact CE1-CB 3.98Å; F169-F171 PolarHBondContact O-N 3.39Å | ||
| 172 | Y | 47.7 | Very low | 42.6 | Very low | 208 Ų | 208 | 155 Ų | 155 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | -171.2 | 120.5 | 126.2 | -108.4 | -69.8 | 0 | 0 | 0 | 110.3 | |||||
| 173 | H | 37.5 | Very low | 42.7 | Very low | 195 Ų | 195 | 155.3 Ų | 155.3 | 90% | 0.903 | 79% | 0.792 | S | S | * | * | trans | -86.9 | 145.2 | 168.1 | -107.7 | -101.1 | 0 | 0 | 0 | 110.1 | ||||
| 174 | G | 37.4 | Very low | 42.6 | Very low | 61 Ų | 61 | 152.9 Ų | 152.9 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | 93.9 | 73 | 145.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 175 | Y | 44.9 | Very low | 42.5 | Very low | 243 Ų | 243 | 153.6 Ų | 153.6 | 95% | 0.953 | 78% | 0.781 | S | S | * | * | trans | -130 | 132.5 | 132.9 | -82 | -72.3 | 0 | 0 | 0 | 109.6 | ||||
| 176 | A | 46.4 | Very low | 43.2 | Very low | 100 Ų | 100 | 149.7 Ų | 149.7 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -77.6 | 133.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P178 | A176-P178 WeakPolarHBondContact O-CD 3.49Š| ||
| 177 | N | 40.7 | Very low | 43.5 | Very low | 150 Ų | 150 | 151.2 Ų | 151.2 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -89.6 | 112.6 | -177.5 | -167.3 | 6.3 | 0 | 0 | 0 | 110.6 | Y179 | N177-Y179 PolarHBondContact O-N 3.41Å; N177-Y179 VanDerWaalsContact O-N 3.11Å | ||
| 178 | P | 52.1 | Low | 44.5 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | trans | -91.9 | 55.3 | -165.1 | 37.9 | -37.1 | 0 | 0 | 0 | 113.6 | A176 | A176-P178 WeakPolarHBondContact O-CD 3.49Š| ||
| 179 | Y | 42.5 | Very low | 44.9 | Very low | 228 Ų | 228 | 147.8 Ų | 147.8 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | -150.8 | 127.8 | 156.6 | -110 | -73.7 | 0 | 0 | 0 | 112 | N177 | N177-Y179 PolarHBondContact O-N 3.41Å; N177-Y179 VanDerWaalsContact O-N 3.11Å | ||
| 180 | Q | 50.1 | Low | 45.5 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -79.8 | 141.6 | -176.5 | -79.3 | -83.1 | -15.6 | 0 | 0 | 112.4 | M182 | Q180-M182 PolarHBondContact O-N 3.12Å; Q180-M182 VanDerWaalsContact O-N 3.08Å | ||
| 181 | S | 47.2 | Very low | 45.4 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -76.8 | 88.4 | 170.1 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | A183 | S181-A183 VanDerWaalsContact C-N 3.31Å; S181-A183 PolarHBondContact O-N 3.26Å | ||
| 182 | M | 44.5 | Very low | 45.3 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -68.7 | 82.1 | 175.7 | -86.9 | -72.1 | -175.2 | 0 | 0 | 112.4 | Q180 S184 | Q180-M182 PolarHBondContact O-N 3.12Å; Q180-M182 VanDerWaalsContact O-N 3.08Å; M182-S184 PolarHBondContact O-N 3.21Å; M182-S184 VanDerWaalsContact O-N 3.17Å | ||
| 183 | A | 51.5 | Low | 44.9 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -75.5 | 91.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | S181 | S181-A183 VanDerWaalsContact C-N 3.31Å; S181-A183 PolarHBondContact O-N 3.26Å | ||
| 184 | S | 38.8 | Very low | 44.9 | Very low | 76 Ų | 76 | 141.2 Ų | 141.2 | 53% | 0.531 | 78% | 0.782 | S | S | . | * | trans | -129.6 | 87.7 | -178.5 | -165.1 | 0 | 0 | 0 | 0 | 110.9 | M182 L186 | M182-S184 PolarHBondContact O-N 3.21Å; M182-S184 VanDerWaalsContact O-N 3.17Å; S184-L186 PolarHBondContact O-N 2.92Å | ||
| 185 | Y | 45.9 | Very low | 44.8 | Very low | 206 Ų | 206 | 142.2 Ų | 142.2 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | -77.5 | 95.1 | 159.8 | 179.1 | -88.5 | 0 | 0 | 0 | 106.8 | D187 | Y185-D187 HydrophobicContact CD1-CB 4.34Å; Y185-D187 HydrophobicContact CE1-CB 3.96Å; Y185-D187 PolarHBondContact O-N 3.49Å | ||
| 186 | L | 49.9 | Very low | 44.3 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -82.5 | 99.7 | 169.9 | -80.2 | 173.9 | 0 | 0 | 0 | 108.9 | S184 | S184-L186 PolarHBondContact O-N 2.92Š| ||
| 187 | D | 46.9 | Very low | 43.7 | Very low | 119 Ų | 119 | 136 Ų | 136 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -56 | 137.2 | 168.3 | -168.6 | 20.9 | 0 | 0 | 0 | 110.6 | Y185 S189 | Y185-D187 HydrophobicContact CD1-CB 4.34Å; Y185-D187 HydrophobicContact CE1-CB 3.96Å; Y185-D187 PolarHBondContact O-N 3.49Å; D187-S189 PolarHBondContact O-N 2.73Å | ||
| 188 | V | 55.5 | Low | 43.5 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -93.8 | 100.6 | -176.4 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | V190 | V188-V190 PolarHBondContact O-N 3.09Å; V188-V190 VanDerWaalsContact O-N 3.12Å | ||
| 189 | S | 47.6 | Very low | 43.6 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -58.8 | 113.2 | -176.2 | 41.3 | 0 | 0 | 0 | 0 | 112.7 | D187 V191 | D187-S189 PolarHBondContact O-N 2.73Å; S189-V191 PolarHBondContact O-N 2.99Å | ||
| 190 | V | 44.9 | Very low | 43.1 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -62.4 | 123.1 | 163.8 | 169.4 | 0 | 0 | 0 | 0 | 108.4 | V188 Q192 | V188-V190 PolarHBondContact O-N 3.09Å; V188-V190 VanDerWaalsContact O-N 3.12Å; V190-Q192 PolarHBondContact O-N 3.29Å; V190-Q192 VanDerWaalsContact O-N 3.11Å | ||
| 191 | V | 41.6 | Very low | 42.6 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -65.8 | 111.3 | 176 | 176 | 0 | 0 | 0 | 0 | 109.3 | S189 | S189-V191 PolarHBondContact O-N 2.99Š| ||
| 192 | Q | 37.9 | Very low | 41.9 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -78.8 | 140.6 | 169.9 | -75.6 | 154.5 | -10.1 | 0 | 0 | 109.9 | V190 | V190-Q192 PolarHBondContact O-N 3.29Å; V190-Q192 VanDerWaalsContact O-N 3.11Å | ||
| 193 | T | 38.3 | Very low | 41.7 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | -89.8 | 161 | 175 | 59 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 194 | L | 37.9 | Very low | 41.6 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 95% | 0.948 | 77% | 0.766 | S | S | * | * | trans | 118.3 | 118.6 | 174.4 | -67.5 | 159 | 0 | 0 | 0 | 113 | ||||
| 195 | G | 34.8 | Very low | 41.8 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | 163.2 | 118.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 196 | S | 34.8 | Very low | 41.8 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 97% | 0.965 | 78% | 0.782 | S | S | * | * | trans | -109.2 | 141.3 | -171.8 | -172.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 197 | G | 33.8 | Very low | 41.7 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 179.8 | 132.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 198 | D | 36.7 | Very low | 41.6 | Very low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -112.7 | -175.6 | -169.2 | -153.6 | 30.3 | 0 | 0 | 0 | 111.1 | ||||
| 199 | P | 54.7 | Low | 40.7 | Very low | 73 Ų | 73 | 137 Ų | 137 | 47% | 0.474 | 79% | 0.79 | S | S | . | * | -123.4 | -166.3 | -100.8 | 40.8 | -24 | 0 | 0 | 0 | 114.2 | |||||
| 200 | R | 31.7 | Very low | 40.2 | Very low | 205 Ų | 205 | 141.9 Ų | 141.9 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | 97 | 141.5 | 176.9 | -58.3 | 175.2 | -147.1 | 84.4 | -9.2 | 114.1 | ||||
| 201 | H | 39.7 | Very low | 40.1 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | cis | -150.5 | 155.4 | -2.1 | -113.8 | -58.3 | 0 | 0 | 0 | 110.8 | ||||
| 202 | E | 32.5 | Very low | 40.4 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | trans | 24.8 | 120.5 | 148.1 | -66.5 | -58.3 | 145 | 0 | 0 | 121.3 | ||||
| 203 | T | 40.5 | Very low | 40.7 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | -174.8 | 135 | 100.8 | -68.9 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 204 | L | 48.4 | Very low | 41.3 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | trans | -80.7 | 129.8 | 179.9 | -68 | 166 | 0 | 0 | 0 | 113.1 | ||||
| 205 | L | 44.4 | Very low | 41.9 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -139.1 | 122.2 | 154 | -74.5 | 179.2 | 0 | 0 | 0 | 109.4 | M207 | L205-M207 PolarHBondContact O-N 3.44Š| ||
| 206 | P | 46.3 | Very low | 42.3 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 118.7 | 172 | -18.8 | 32.2 | 0 | 0 | 0 | 110.3 | ||
| 207 | M | 47.5 | Very low | 42.8 | Very low | 164 Ų | 164 | 140 Ų | 140 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 116 | 174.5 | -151.6 | -69.9 | 164.1 | 0 | 0 | 109 | L205 S209 | L205-M207 PolarHBondContact O-N 3.44Å; M207-S209 PolarHBondContact O-N 3.26Å |
| 208 | D | 43.9 | Very low | 42.9 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 123.2 | -179.7 | -102 | -57.2 | 0 | 0 | 0 | 111.4 | Y210 | D208-Y210 PolarHBondContact O-N 3.26Š|
| 209 | S | 36.3 | Very low | 43.5 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -63.6 | 92.2 | -170 | -69.6 | 0 | 0 | 0 | 0 | 112.4 | M207 Q211 | M207-S209 PolarHBondContact O-N 3.26Å; S209-Q211 PolarHBondContact O-N 3.01Å | ||
| 210 | Y | 38.5 | Very low | 43.6 | Very low | 209 Ų | 209 | 144.7 Ų | 144.7 | 82% | 0.82 | 77% | 0.768 | S | S | * | * | trans | -64.4 | 90.1 | 180 | -168.1 | -88.4 | 0 | 0 | 0 | 110.9 | D208 P212 | D208-Y210 PolarHBondContact O-N 3.26Å; Y210-P212 WeakPolarHBondContact O-CD 3.46Å | ||
| 211 | Q | 42.1 | Very low | 43.8 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | -61.3 | 114.7 | -177.3 | -90.5 | -73.4 | -69 | 0 | 0 | 111.8 | S209 W213 | S209-Q211 PolarHBondContact O-N 3.01Å; Q211-W213 PolarHBondContact O-N 3.19Å | ||
| 212 | P | 46.8 | Very low | 44.1 | Very low | 89 Ų | 89 | 139.4 Ų | 139.4 | 58% | 0.578 | 77% | 0.769 | S | S | * | * | trans | -74.4 | 100.6 | 171.8 | -8.6 | 26.8 | 0 | 0 | 0 | 108.7 | Y210 A214 | Y210-P212 WeakPolarHBondContact O-CD 3.46Å; P212-A214 PolarHBondContact O-N 3.38Å | ||
| 213 | W | 45.2 | Very low | 44.7 | Very low | 205 Ų | 205 | 140.4 Ų | 140.4 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | 1.8 | 88 | 161.9 | 57.5 | -74.5 | 0 | 0 | 0 | 115.3 | Q211 L215 | Q211-W213 PolarHBondContact O-N 3.19Å; W213-L215 HydrophobicContact CE3-CD1 4.42Å; W213-L215 HydrophobicContact CE3-CD2 4.36Å; W213-L215 HydrophobicContact CE3-CG 3.92Å; W213-L215 HydrophobicContact CH2-CD1 3.94Å; W213-L215 HydrophobicContact CH2-CG 4.32Å; W213-L215 HydrophobicContact CZ3-CD1 3.53Å; W213-L215 HydrophobicContact CZ3-CD2 3.98Å; W213-L215 HydrophobicContact CZ3-CG 3.49Å; W213-L215 VanDerWaalsContact CZ3-CG 3.49Å; W213-L215 PolarHBondContact O-N 2.88Å | ||
| 214 | A | 51.3 | Low | 44.5 | Very low | 77 Ų | 77 | 144 Ų | 144 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | -64.9 | 102.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P212 T216 | P212-A214 PolarHBondContact O-N 3.38Å; A214-T216 VanDerWaalsContact C-N 3.3Å; A214-T216 PolarHBondContact O-N 2.96Å | ||
| 215 | L | 48.9 | Very low | 44.2 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -70.5 | 86.4 | 160.9 | -76.5 | -179.4 | 0 | 0 | 0 | 109.7 | W213 N217 | W213-L215 HydrophobicContact CE3-CD1 4.42Å; W213-L215 HydrophobicContact CE3-CD2 4.36Å; W213-L215 HydrophobicContact CE3-CG 3.92Å; W213-L215 HydrophobicContact CH2-CD1 3.94Å; W213-L215 HydrophobicContact CH2-CG 4.32Å; W213-L215 HydrophobicContact CZ3-CD1 3.53Å; W213-L215 HydrophobicContact CZ3-CD2 3.98Å; W213-L215 HydrophobicContact CZ3-CG 3.49Å; W213-L215 VanDerWaalsContact CZ3-CG 3.49Å; W213-L215 PolarHBondContact O-N 2.88Å; L215-N217 PolarHBondContact O-N 3.42Å | ||
| 216 | T | 44.7 | Very low | 43.8 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -69.4 | 99.7 | 168.4 | 48.5 | 0 | 0 | 0 | 0 | 110 | A214 | A214-T216 VanDerWaalsContact C-N 3.3Å; A214-T216 PolarHBondContact O-N 2.96Å | ||
| 217 | N | 45.2 | Very low | 43.5 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | -175.1 | 55.8 | 156.1 | -95.4 | -44 | 0 | 0 | 0 | 112.4 | L215 W219 | L215-N217 PolarHBondContact O-N 3.42Å; N217-W219 PolarHBondContact O-N 3.26Å | ||
| 218 | G | 35 | Very low | 43.4 | Very low | 81 Ų | 81 | 141.2 Ų | 141.2 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | -76.8 | 94.1 | 168 | 0 | 0 | 0 | 0 | 0 | 111.5 | G220 | G218-G220 VanDerWaalsContact C-N 3.32Å; G218-G220 PolarHBondContact O-N 2.85Å | ||
| 219 | W | 49.3 | Very low | 43.1 | Very low | 245 Ų | 245 | 144.1 Ų | 144.1 | 93% | 0.928 | 78% | 0.775 | S | S | * | * | trans | -78.4 | 78.2 | 174.1 | -78.4 | 67.6 | 0 | 0 | 0 | 110.8 | N217 | N217-W219 PolarHBondContact O-N 3.26Š| ||
| 220 | G | 57.5 | Low | 43.6 | Very low | 78 Ų | 78 | 143 Ų | 143 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -179.2 | 89.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G218 | G218-G220 VanDerWaalsContact C-N 3.32Å; G218-G220 PolarHBondContact O-N 2.85Å | ||
| 221 | G | 35.6 | Very low | 43.8 | Very low | 60 Ų | 60 | 141.8 Ų | 141.8 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | trans | -170.1 | 79.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M223 | G221-M223 PolarHBondContact O-N 3.18Š| ||
| 222 | Q | 46.3 | Very low | 43.8 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -66.4 | 110.8 | 168 | 176.1 | -172 | -22.9 | 0 | 0 | 108.6 | ||||
| 223 | M | 45.7 | Very low | 43.8 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | trans | -113.5 | 118.2 | 176.1 | -66.8 | -62.3 | 156.1 | 0 | 0 | 110.3 | G221 | G221-M223 PolarHBondContact O-N 3.18Š| ||
| 224 | Y | 36.3 | Very low | 44.1 | Very low | 206 Ų | 206 | 135.1 Ų | 135.1 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | -66.8 | 131.8 | 177.7 | 172.4 | -90.2 | 0 | 0 | 0 | 110.5 | S226 | Y224-S226 PolarHBondContact O-N 3.42Š| ||
| 225 | C | 41.2 | Very low | 44.2 | Very low | 126 Ų | 126 | 140 Ų | 140 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -85 | 97.5 | -173.2 | -147.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 226 | S | 35.5 | Very low | 44.2 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | -74.9 | 155.1 | 166.9 | -77.5 | 0 | 0 | 0 | 0 | 111.8 | Y224 | Y224-S226 PolarHBondContact O-N 3.42Š| ||
| 227 | K | 40.6 | Very low | 44.4 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | trans | -92.2 | 145.9 | -163 | 179.1 | 178.6 | 174.6 | -178 | 0 | 113.4 | ||||
| 228 | D | 45 | Very low | 44.4 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | 31.1 | 101.9 | 162.3 | -65.8 | -62.9 | 0 | 0 | 0 | 119.4 | ||||
| 229 | Q | 38.7 | Very low | 45 | Very low | 208 Ų | 208 | 144.4 Ų | 144.4 | 97% | 0.972 | 79% | 0.786 | S | S | * | * | trans | -148.9 | 160.4 | 135.4 | -138 | 169 | 20.2 | 0 | 0 | 111.4 | ||||
| 230 | A | 45.4 | Very low | 45.2 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | -102.9 | 167.1 | -156.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 231 | Q | 43.1 | Very low | 44.8 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | 87.3 | 143.9 | 162.5 | -61.4 | -65.7 | -5.3 | 0 | 0 | 120.9 | ||||
| 232 | A | 42.2 | Very low | 45.2 | Very low | 82 Ų | 82 | 145.4 Ų | 145.4 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | 67.3 | 46.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | H234 | A232-H234 PolarHBondContact O-N 2.98Š| ||
| 233 | G | 46.3 | Very low | 45.2 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -78.9 | 62.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 234 | H | 51.4 | Low | 45.1 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -136.1 | 50.7 | -171.7 | -65.3 | -30.8 | 0 | 0 | 0 | 116.7 | A232 | A232-H234 PolarHBondContact O-N 2.98Š| ||
| 235 | L | 53.4 | Low | 45.8 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 94% | 0.937 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -101 | -5.5 | 179.8 | -66.9 | 178.2 | 0 | 0 | 0 | 116.7 | ||
| 236 | W | 49.2 | Very low | 45.9 | Very low | 217 Ų | 217 | 137.8 Ų | 137.8 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -115 | 7.5 | 177.7 | 63.8 | -92.4 | 0 | 0 | 0 | 114.5 | ||
| 237 | K | 50.4 | Low | 46.5 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 61% | 0.613 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -129 | 153.5 | 170.3 | -81.6 | -175 | 175.3 | 179.2 | 0 | 110 | ||
| 238 | T | 44 | Very low | 46.6 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | 71.5 | 64.3 | 169.3 | -36.3 | 0 | 0 | 0 | 0 | 115.9 | A241 | T238-A241 HydrophobicContact CG2-CB 3.67Š| ||
| 239 | A | 48.2 | Very low | 46.4 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -104.9 | 140.8 | 136.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||
| 240 | L | 53.9 | Low | 47.1 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 68.9 | 71.5 | -167.7 | -50.6 | 179.4 | 0 | 0 | 0 | 114.6 | ||
| 241 | A | 49.1 | Very low | 47.3 | Very low | 80 Ų | 80 | 137.5 Ų | 137.5 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | trans | -149.5 | 57.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T238 | T238-A241 HydrophobicContact CG2-CB 3.67Š| ||
| 242 | D | 42.5 | Very low | 48.1 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | -157.2 | 178.7 | 148.9 | -148.3 | -16.7 | 0 | 0 | 0 | 110.5 | ||||
| 243 | V | 47.8 | Very low | 48.5 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 78.6 | 83.2 | -174.5 | -168.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 244 | V | 42.4 | Very low | 49.1 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 65.5 | 125.2 | 144.7 | -175 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 245 | A | 50.7 | Low | 49.5 | Very low | 92 Ų | 92 | 150.2 Ų | 150.2 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -83 | 128.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 246 | H | 44.1 | Very low | 49.8 | Very low | 189 Ų | 189 | 144.8 Ų | 144.8 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | trans | -131.7 | 138.8 | 144.6 | -97.5 | -61.8 | 0 | 0 | 0 | 108.9 | ||||
| 247 | Q | 47.6 | Very low | 51.3 | Low | 190 Ų | 190 | 145.7 Ų | 145.7 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -75 | 126 | 174.5 | -61.2 | -171.6 | 20.4 | 0 | 0 | 109.5 | ||||
| 248 | H | 42.7 | Very low | 53 | Low | 187 Ų | 187 | 148.1 Ų | 148.1 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | -154.9 | 143.9 | 155.6 | -128.7 | -86.6 | 0 | 0 | 0 | 112 | ||||
| 249 | E | 40.9 | Very low | 55.2 | Low | 168 Ų | 168 | 151.6 Ų | 151.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -38.6 | 125.8 | -173 | -72.6 | -59.8 | 122.2 | 0 | 0 | 117.8 | S251 | E249-S251 VanDerWaalsContact C-N 3.31Å; E249-S251 PolarHBondContact O-N 3.25Å | ||
| 250 | G | 54.1 | Low | 57.3 | Low | 72 Ų | 72 | 157.9 Ų | 157.9 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 63.8 | 9.7 | 130.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | P252 | G250-P252 VanDerWaalsContact O-CD 3.28Å; G250-P252 WeakPolarHBondContact O-CD 3.42Å | ||
| 251 | S | 50 | Low | 59.2 | Low | 91 Ų | 91 | 156.7 Ų | 156.7 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -59.3 | 114 | -173.8 | -177.3 | 0 | 0 | 0 | 0 | 113.8 | E249 F253 | E249-S251 VanDerWaalsContact C-N 3.31Å; E249-S251 PolarHBondContact O-N 3.25Å; S251-F253 VanDerWaalsContact C-N 3.29Å; S251-F253 PolarHBondContact O-N 2.9Å | ||
| 252 | P | 58.8 | Low | 61.5 | Low | 105 Ų | 105 | 158.1 Ų | 158.1 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | trans | -86.8 | 12.6 | -172.1 | 35.9 | -36.9 | 0 | 0 | 0 | 114 | G250 R254 | G250-P252 VanDerWaalsContact O-CD 3.28Å; G250-P252 WeakPolarHBondContact O-CD 3.42Å; P252-R254 VanDerWaalsContact C-N 3.29Å; P252-R254 PolarHBondContact O-N 3.16Å | ||
| 253 | F | 51 | Low | 64.1 | Low | 180 Ų | 180 | 154 Ų | 154 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | trans | -85.5 | 20.4 | -168.2 | -66.1 | -71.3 | 0 | 0 | 0 | 115.7 | S251 R255 | S251-F253 VanDerWaalsContact C-N 3.29Å; S251-F253 PolarHBondContact O-N 2.9Å; F253-R255 PolarHBondContact O-N 3.41Å | ||
| 254 | R | 58.7 | Low | 66.5 | Low | 219 Ų | 219 | 151.7 Ų | 151.7 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -63.3 | 116.3 | 159.7 | -74.9 | -64.2 | -139.1 | -99.5 | 6.3 | 108.4 | P252 G256 | P252-R254 VanDerWaalsContact C-N 3.29Å; P252-R254 PolarHBondContact O-N 3.16Å; R254-G256 VanDerWaalsContact O-CA 3.27Å; R254-G256 WeakPolarHBondContact O-CA 3.45Å; R254-G256 PolarHBondContact O-N 2.94Å |
| 255 | R | 60.9 | Low | 69.1 | Low | 256 Ų | 256 | 154.8 Ų | 154.8 | 97% | 0.966 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -32.7 | 89 | -178.2 | -71.3 | -176.8 | -74.6 | -134.8 | -1.3 | 113.2 | F253 | F253-R255 PolarHBondContact O-N 3.41Š|
| 256 | G | 58.6 | Low | 71.3 | Confident | 65 Ų | 65 | 155.5 Ų | 155.5 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | trans | -147.5 | 123.4 | -158.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R254 K258 | R254-G256 VanDerWaalsContact O-CA 3.27Å; R254-G256 WeakPolarHBondContact O-CA 3.45Å; R254-G256 PolarHBondContact O-N 2.94Å; G256-K258 PolarHBondContact O-N 2.99Å | ||
| 257 | R | 80 | Confident | 73.9 | Confident | 235 Ų | 235 | 147.9 Ų | 147.9 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | trans | -60.8 | 121.6 | 173.1 | -179.6 | 178.4 | -71.5 | -161.2 | -3.1 | 109 | K259 | R257-K259 PolarHBondContact O-N 3.32Š| ||
| 258 | K | 87.5 | Confident | 76.3 | Confident | 192 Ų | 192 | 141.6 Ų | 141.6 | 84% | 0.835 | 69% | 0.69 | S | S | * | * | trans | -38.4 | 119.8 | 179.1 | -170.8 | 86.3 | 171.9 | -174.8 | 0 | 110.7 | G256 R260 | G256-K258 PolarHBondContact O-N 2.99Å; K258-R260 PolarHBondContact O-N 3.05Å | ||
| 259 | K | 90 | Very high | 79 | Confident | 192 Ų | 192 | 139.7 Ų | 139.7 | 84% | 0.835 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 129.8 | -178.7 | -174.7 | 178.6 | 179.6 | 180 | 0 | 109.6 | R257 I261 | R257-K259 PolarHBondContact O-N 3.32Å; K259-I261 PolarHBondContact O-N 2.92Å |
| 260 | R | 92.8 | Very high | 81.7 | Confident | 228 Ų | 228 | 133.8 Ų | 133.8 | 86% | 0.86 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 125.4 | 177.1 | -75 | -179.1 | 171.5 | 170.2 | -2.7 | 109.3 | K258 | K258-R260 PolarHBondContact O-N 3.05Š|
| 261 | I | 93.8 | Very high | 83.8 | Confident | 141 Ų | 141 | 130.3 Ų | 130.3 | 72% | 0.723 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 125 | 172.6 | -56.4 | 175.5 | 0 | 0 | 0 | 107.1 | K259 | K259-I261 PolarHBondContact O-N 2.92Š|
| 262 | P | 96.1 | Very high | 86 | Confident | 110 Ų | 110 | 130.1 Ų | 130.1 | 71% | 0.714 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 149.3 | 173.6 | 31.3 | -34.2 | 0 | 0 | 0 | 110.8 | ||
| 263 | Y | 97.7 | Very high | 87.9 | Confident | 72 Ų | 72 | 130.7 Ų | 130.7 | 28% | 0.282 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -72.2 | 144.7 | 171.7 | -59.6 | -60.3 | 0 | 0 | 0 | 110.7 | L268 L295 W303 | Y263-L268 HydrophobicContact CD2-CD2 4.32Å; Y263-L295 HydrophobicContact CD1-CD1 3.77Å; Y263-L295 HydrophobicContact CD1-CD2 3.8Å; Y263-L295 HydrophobicContact CD1-CG 4.46Å; Y263-L295 HydrophobicContact CE1-CD1 3.83Å; Y263-L295 HydrophobicContact CE1-CD2 3.72Å; Y263-L295 HydrophobicContact CE1-CG 4.43Å; Y263-W303 AromaticContact CD2-CD1 3.91Å; Y263-W303 AromaticContact CE2-CD1 3.73Å |
| 264 | T | 98.2 | Very high | 90.1 | Very high | 75 Ų | 75 | 123.6 Ų | 123.6 | 46% | 0.46 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -73.6 | 160.7 | 178.5 | 76 | 0 | 0 | 0 | 0 | 111.5 | V266 Q267 L268 | T264-V266 PolarHBondContact O-N 3.05Å; T264-Q267 PolarHBondContact O-N 3.15Å; T264-Q267 VanDerWaalsContact O-N 3.16Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.37Å; T264-Q267 PolarHBondContact OG1-N 2.94Å; T264-L268 WeakPolarHBondContact O-CG 3.44Å; T264-L268 PolarHBondContact O-N 2.88Å |
| 265 | K | 97.8 | Very high | 92 | Very high | 192 Ų | 192 | 113.3 Ų | 113.3 | 84% | 0.835 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -54.9 | -37.8 | 176.1 | -66.7 | -174.3 | 178.5 | -177.6 | 0 | 112.3 | K269 | K265-K269 WeakPolarHBondContact O-CB 3.33Å; K265-K269 PolarHBondContact O-N 3.14Å |
| 266 | V | 97.1 | Very high | 93.7 | Very high | 106 Ų | 106 | 105 Ų | 105 | 64% | 0.642 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.3 | -43.7 | 178.3 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | T264 L268 K269 E270 | T264-V266 PolarHBondContact O-N 3.05Å; V266-L268 VanDerWaalsContact C-N 3.33Å; V266-L268 PolarHBondContact O-N 2.63Å; V266-K269 PolarHBondContact O-N 3.14Å; V266-E270 PolarHBondContact O-N 2.86Å |
| 267 | Q | 98 | Very high | 95.6 | Very high | 30 Ų | 30 | 105.6 Ų | 105.6 | 14% | 0.14 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 175.6 | -71.4 | 174.1 | -25.9 | 0 | 0 | 111.6 | T264 L271 T293 L295 | T264-Q267 PolarHBondContact O-N 3.15Å; T264-Q267 VanDerWaalsContact O-N 3.16Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.37Å; T264-Q267 PolarHBondContact OG1-N 2.94Å; Q267-L271 WeakPolarHBondContact O-CB 3.33Å; Q267-L271 WeakPolarHBondContact O-CD1 3.32Å; Q267-L271 VanDerWaalsContact O-CG 3.22Å; Q267-L271 WeakPolarHBondContact O-CG 3.35Å; Q267-L271 PolarHBondContact O-N 3.05Å; Q267-T293 WeakPolarHBondContact CG-O 3.44Å; Q267-T293 PolarHBondContact NE2-O 3.28Å; Q267-L295 HydrophobicContact CB-CD1 4.19Å; Q267-L295 HydrophobicContact CG-CD1 4.3Å; Q267-L295 HydrophobicContact CG-CG 4.35Å |
| 268 | L | 98.1 | Very high | 96.4 | Very high | 58 Ų | 58 | 98.2 Ų | 98.2 | 30% | 0.304 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 176.5 | -67.8 | 173.7 | 0 | 0 | 0 | 112 | Y263 T264 V266 E270 L271 E272 | Y263-L268 HydrophobicContact CD2-CD2 4.32Å; T264-L268 WeakPolarHBondContact O-CG 3.44Å; T264-L268 PolarHBondContact O-N 2.88Å; V266-L268 VanDerWaalsContact C-N 3.33Å; V266-L268 PolarHBondContact O-N 2.63Å; L268-E270 PolarHBondContact O-N 3.31Å; L268-L271 PolarHBondContact O-N 3.44Å; L268-E272 WeakPolarHBondContact O-CB 3.29Å; L268-E272 WeakPolarHBondContact O-CG 3.43Å; L268-E272 PolarHBondContact O-N 3.37Å |
| 269 | K | 98.1 | Very high | 96.8 | Very high | 147 Ų | 147 | 93.1 Ų | 93.1 | 64% | 0.639 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -55.5 | -50 | 178.4 | -177.2 | 180 | 177.5 | -179 | 0 | 112.5 | K265 V266 E272 K273 | K265-K269 WeakPolarHBondContact O-CB 3.33Å; K265-K269 PolarHBondContact O-N 3.14Å; V266-K269 PolarHBondContact O-N 3.14Å; K269-E272 PolarHBondContact O-N 2.72Å; K269-K273 WeakPolarHBondContact O-CB 3.43Å; K269-K273 PolarHBondContact O-N 2.94Å |
| 270 | E | 97.7 | Very high | 97.2 | Very high | 43 Ų | 43 | 90.1 Ų | 90.1 | 20% | 0.201 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -71 | -33.7 | -179.3 | -68.7 | -60.9 | 122.6 | 0 | 0 | 112.5 | V266 L268 K273 E274 V292 T293 | V266-E270 PolarHBondContact O-N 2.86Å; L268-E270 PolarHBondContact O-N 3.31Å; E270-K273 WeakPolarHBondContact OE1-CD 3.2Å; E270-K273 IonicContact OE1-NZ 2.99Å; E270-K273 PolarHBondContact OE1-NZ 3.34Å; E270-K273 WeakPolarHBondContact OE2-CD 3.26Å; E270-K273 IonicContact OE2-NZ 2.68Å; E270-K273 PolarHBondContact OE2-NZ 3.23Å; E270-E274 PolarHBondContact O-N 2.94Å; E270-V292 HydrophobicContact CG-CG1 4.36Å; E270-T293 HydrophobicContact CB-CG2 3.96Å |
| 271 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 172.9 | -73.8 | 167 | 0 | 0 | 0 | 112.4 | Q267 L268 Y275 I289 L295 I300 W303 F304 | Q267-L271 WeakPolarHBondContact O-CB 3.33Å; Q267-L271 WeakPolarHBondContact O-CD1 3.32Å; Q267-L271 VanDerWaalsContact O-CG 3.22Å; Q267-L271 WeakPolarHBondContact O-CG 3.35Å; Q267-L271 PolarHBondContact O-N 3.05Å; L268-L271 PolarHBondContact O-N 3.44Å; L271-Y275 VanDerWaalsContact O-CB 3.26Å; L271-Y275 WeakPolarHBondContact O-CB 3.33Å; L271-Y275 PolarHBondContact O-N 2.69Å; L271-I289 HydrophobicContact CD2-CG2 3.96Å; L271-L295 HydrophobicContact CD1-CD1 3.9Å; L271-I300 HydrophobicContact CD2-CG1 4.27Å; L271-I300 HydrophobicContact CD2-CG2 4.03Å; L271-W303 HydrophobicContact CB-CD2 4.01Å; L271-W303 HydrophobicContact CB-CE3 4Å; L271-W303 HydrophobicContact CB-CH2 3.82Å; L271-W303 HydrophobicContact CB-CZ2 3.79Å; L271-W303 HydrophobicContact CB-CZ3 3.92Å; L271-W303 HydrophobicContact CD1-CD2 3.94Å; L271-W303 HydrophobicContact CD1-CG 3.86Å; L271-W303 HydrophobicContact CD2-CD2 4.25Å; L271-W303 HydrophobicContact CD2-CE3 4.14Å; L271-W303 HydrophobicContact CD2-CG 4.49Å; L271-W303 HydrophobicContact CG-CD2 4.3Å; L271-W303 HydrophobicContact CG-CE3 4.48Å; L271-F304 HydrophobicContact CD2-CD2 4.48Å; L271-F304 HydrophobicContact CD2-CE2 4.03Å |
| 272 | E | 98.1 | Very high | 97.6 | Very high | 86 Ų | 86 | 77.2 Ų | 77.2 | 40% | 0.402 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -76.2 | -36.2 | -179.3 | -70.8 | -172.3 | 138.3 | 0 | 0 | 112.7 | L268 K269 Y275 A276 W303 R307 | L268-E272 WeakPolarHBondContact O-CB 3.29Å; L268-E272 WeakPolarHBondContact O-CG 3.43Å; L268-E272 PolarHBondContact O-N 3.37Å; K269-E272 PolarHBondContact O-N 2.72Å; E272-Y275 PolarHBondContact O-N 2.86Å; E272-A276 PolarHBondContact O-N 3.33Å; E272-W303 HydrophobicContact CB-CH2 4.5Å; E272-W303 HydrophobicContact CG-CH2 3.61Å; E272-W303 HydrophobicContact CG-CZ2 3.58Å; E272-R307 IonicContact OE1-NE 3.61Å |
| 273 | K | 97.8 | Very high | 97.7 | Very high | 117 Ų | 117 | 78.9 Ų | 78.9 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -56.1 | -50.4 | 169.8 | 171.3 | -173.5 | 171.3 | -166.3 | 0 | 112.3 | K269 E270 Y275 A276 A277 | K269-K273 WeakPolarHBondContact O-CB 3.43Å; K269-K273 PolarHBondContact O-N 2.94Å; E270-K273 WeakPolarHBondContact OE1-CD 3.2Å; E270-K273 IonicContact OE1-NZ 2.99Å; E270-K273 PolarHBondContact OE1-NZ 3.34Å; E270-K273 WeakPolarHBondContact OE2-CD 3.26Å; E270-K273 IonicContact OE2-NZ 2.68Å; E270-K273 PolarHBondContact OE2-NZ 3.23Å; K273-Y275 VanDerWaalsContact C-N 3.34Å; K273-A276 PolarHBondContact O-N 3.42Å; K273-A277 PolarHBondContact O-N 2.8Å |
| 274 | E | 97.8 | Very high | 97.7 | Very high | 32 Ų | 32 | 79.3 Ų | 79.3 | 15% | 0.15 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -72.5 | -27.6 | 177.8 | -72.4 | -79.8 | -170.5 | 0 | 0 | 112.2 | E270 A277 N278 K285 I289 F304 | E270-E274 PolarHBondContact O-N 2.94Å; E274-A277 PolarHBondContact O-N 2.57Å; E274-N278 PolarHBondContact O-N 3.47Å; E274-K285 WeakPolarHBondContact OE1-CD 3.46Å; E274-K285 IonicContact OE1-NZ 2.68Å; E274-K285 PolarHBondContact OE1-NZ 3.05Å; E274-K285 WeakPolarHBondContact OE2-CD 3.32Å; E274-K285 IonicContact OE2-NZ 2.67Å; E274-K285 PolarHBondContact OE2-NZ 3.37Å; E274-I289 HydrophobicContact CB-CD1 3.7Å; E274-I289 HydrophobicContact CG-CD1 3.7Å; E274-I289 HydrophobicContact CG-CG1 4.02Å; E274-F304 HydrophobicContact CB-CZ 4.34Å |
| 275 | Y | 98.1 | Very high | 97.6 | Very high | 3 Ų | 3 | 79.6 Ų | 79.6 | 1% | 0.012 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.8 | -31.1 | 172.4 | -169.9 | -95 | 0 | 0 | 0 | 113.8 | L271 E272 K273 N278 K279 W303 F304 R307 R308 E311 | L271-Y275 VanDerWaalsContact O-CB 3.26Å; L271-Y275 WeakPolarHBondContact O-CB 3.33Å; L271-Y275 PolarHBondContact O-N 2.69Å; E272-Y275 PolarHBondContact O-N 2.86Å; K273-Y275 VanDerWaalsContact C-N 3.34Å; Y275-N278 WeakPolarHBondContact CA-O 3.43Å; Y275-N278 CarbonylContact O-C 3.46Å; Y275-K279 HydrophobicContact CD1-CD 4.18Å; Y275-K279 HydrophobicContact CE1-CD 3.55Å; Y275-K279 HydrophobicContact CE2-CB 4.45Å; Y275-K279 HydrophobicContact CE2-CD 4.29Å; Y275-W303 HydrophobicContact CD2-CZ3 4.05Å; Y275-W303 HydrophobicContact CG-CH2 4.41Å; Y275-W303 HydrophobicContact CG-CZ3 4.17Å; Y275-F304 AromaticContact CD2-CD1 3.73Å; Y275-F304 HydrophobicContact CD2-CD1 3.73Å; Y275-F304 AromaticContact CD2-CE1 3.72Å; Y275-F304 HydrophobicContact CD2-CE1 3.72Å; Y275-F304 HydrophobicContact CD2-CZ 4.47Å; Y275-F304 HydrophobicContact CE2-CD1 4.3Å; Y275-F304 HydrophobicContact CG-CE1 4.48Å; Y275-R307 HydrophobicContact CD1-CG 3.71Å; Y275-R307 HydrophobicContact CD2-CB 4.11Å; Y275-R307 HydrophobicContact CD2-CG 3.69Å; Y275-R307 HydrophobicContact CE1-CG 3.62Å; Y275-R307 HydrophobicContact CE2-CB 3.85Å; Y275-R307 HydrophobicContact CE2-CG 3.6Å; Y275-R307 HydrophobicContact CG-CG 3.75Å; Y275-R308 HydrophobicContact CE2-CG 3.88Å; Y275-R308 WeakPolarHBondContact OH-CA 3.47Å; Y275-R308 WeakPolarHBondContact OH-CG 3.35Å; Y275-R308 PolarHBondContact OH-N 3.03Å; Y275-E311 WeakPolarHBondContact CE1-OE1 3.46Å; Y275-E311 WeakPolarHBondContact CE1-OE2 3.27Å; Y275-E311 PolarHBondContact OH-OE2 3.25Å |
| 276 | A | 97.5 | Very high | 97.6 | Very high | 80 Ų | 80 | 73.4 Ų | 73.4 | 66% | 0.661 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.8 | -44 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E272 K273 | E272-A276 PolarHBondContact O-N 3.33Å; K273-A276 PolarHBondContact O-N 3.42Å |
| 277 | A | 96.9 | Very high | 97.7 | Very high | 78 Ų | 78 | 74.9 Ų | 74.9 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.3 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K273 E274 | K273-A277 PolarHBondContact O-N 2.8Å; E274-A277 PolarHBondContact O-N 2.57Å |
| 278 | N | 96.4 | Very high | 97.7 | Very high | 81 Ų | 81 | 80.3 Ų | 80.3 | 43% | 0.433 | 39% | 0.394 | S | S | . | . | trans | -152.3 | 128.6 | 173.3 | -164.6 | -31 | 0 | 0 | 0 | 112.2 | E274 Y275 F280 F304 | E274-N278 PolarHBondContact O-N 3.47Å; Y275-N278 WeakPolarHBondContact CA-O 3.43Å; Y275-N278 CarbonylContact O-C 3.46Å; N278-F280 PolarHBondContact O-N 3.45Å; N278-F280 VanDerWaalsContact O-N 3.14Å; N278-F280 PolarHBondContact OD1-N 3.4Å; N278-F280 PolarHBondContact OD1-O 3.39Å; N278-F304 WeakPolarHBondContact O-CE1 3.35Å | ||
| 279 | K | 96.9 | Very high | 97.7 | Very high | 84 Ų | 84 | 77.9 Ų | 77.9 | 37% | 0.365 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -65.2 | -14.7 | 176.5 | -52.1 | -63.6 | -178.8 | 176 | 0 | 113.4 | Y275 R308 E311 | Y275-K279 HydrophobicContact CD1-CD 4.18Å; Y275-K279 HydrophobicContact CE1-CD 3.55Å; Y275-K279 HydrophobicContact CE2-CB 4.45Å; Y275-K279 HydrophobicContact CE2-CD 4.29Å; K279-R308 WeakPolarHBondContact O-CD 3.47Å; K279-E311 IonicContact NZ-OE1 3.53Å; K279-E311 PolarHBondContact NZ-OE1 3.02Å; K279-E311 IonicContact NZ-OE2 3.82Å |
| 280 | F | 97.6 | Very high | 97.7 | Very high | 129 Ų | 129 | 72.3 Ų | 72.3 | 57% | 0.566 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -125.8 | 135.6 | 179.7 | -66.1 | -101.5 | 0 | 0 | 0 | 111.5 | N278 | N278-F280 PolarHBondContact O-N 3.45Å; N278-F280 VanDerWaalsContact O-N 3.14Å; N278-F280 PolarHBondContact OD1-N 3.4Å; N278-F280 PolarHBondContact OD1-O 3.39Å |
| 281 | I | 97.3 | Very high | 97.7 | Very high | 21 Ų | 21 | 73.9 Ų | 73.9 | 11% | 0.108 | 38% | 0.381 | C | S | . | . | trans | -101.4 | 113.4 | -173.2 | -167.1 | 68 | 0 | 0 | 0 | 113.2 | K285 R286 I289 I300 F304 | I281-K285 HydrophobicContact CD1-CB 3.53Å; I281-K285 HydrophobicContact CG1-CB 4.41Å; I281-R286 HydrophobicContact CG1-CB 3.9Å; I281-R286 HydrophobicContact CG1-CG 4.45Å; I281-R286 PolarHBondContact O-NH2 2.95Å; I281-I289 HydrophobicContact CD1-CD1 3.56Å; I281-I289 HydrophobicContact CG1-CD1 4.34Å; I281-I300 HydrophobicContact CG1-CG2 4.42Å; I281-F304 HydrophobicContact CB-CD1 3.83Å; I281-F304 HydrophobicContact CB-CD2 4.1Å; I281-F304 HydrophobicContact CB-CE1 3.82Å; I281-F304 HydrophobicContact CB-CE2 4.1Å; I281-F304 HydrophobicContact CB-CG 3.98Å; I281-F304 HydrophobicContact CB-CZ 3.97Å; I281-F304 HydrophobicContact CD1-CE1 4.36Å; I281-F304 HydrophobicContact CD1-CE2 4.26Å; I281-F304 HydrophobicContact CD1-CZ 3.89Å; I281-F304 HydrophobicContact CG1-CE2 4.22Å; I281-F304 HydrophobicContact CG1-CZ 4.21Å; I281-F304 HydrophobicContact CG2-CB 4.11Å; I281-F304 HydrophobicContact CG2-CD1 4.08Å; I281-F304 HydrophobicContact CG2-CD2 3.97Å; I281-F304 HydrophobicContact CG2-CE2 4.44Å; I281-F304 HydrophobicContact CG2-CG 3.78Å | ||
| 282 | T | 98.1 | Very high | 97.6 | Very high | 78 Ų | 78 | 78.6 Ų | 78.6 | 48% | 0.479 | 41% | 0.409 | S | S | . | . | trans | -67.7 | 162 | 175.2 | 68 | 0 | 0 | 0 | 0 | 111.8 | D284 K285 R286 | T282-D284 PolarHBondContact O-N 3.37Å; T282-K285 WeakPolarHBondContact OG1-CB 3.49Å; T282-R286 VanDerWaalsContact O-CB 3.25Å; T282-R286 WeakPolarHBondContact O-CB 3.22Å; T282-R286 PolarHBondContact O-N 2.78Å | ||
| 283 | K | 97.8 | Very high | 97.6 | Very high | 144 Ų | 144 | 74.9 Ų | 74.9 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -56.7 | -48.3 | -176.9 | -171.4 | -178.9 | 179.3 | -175 | 0 | 112.1 | R286 R287 | K283-R286 WeakPolarHBondContact O-CB 3.47Å; K283-R286 PolarHBondContact O-N 3.41Å; K283-R287 WeakPolarHBondContact O-CG 3.35Å; K283-R287 PolarHBondContact O-N 2.93Å |
| 284 | D | 97.7 | Very high | 97.6 | Very high | 81 Ų | 81 | 76.1 Ų | 76.1 | 43% | 0.433 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -78.9 | -31.6 | -174 | -59.2 | -69.6 | 0 | 0 | 0 | 113.6 | T282 R286 R287 K288 | T282-D284 PolarHBondContact O-N 3.37Å; D284-R286 VanDerWaalsContact C-N 3.34Å; D284-R287 PolarHBondContact O-N 3.16Å; D284-R287 IonicContact OD1-CZ 2.73Å; D284-R287 IonicContact OD1-NH1 3.62Å; D284-R287 PolarHBondContact OD1-NH1 2.93Å; D284-K288 WeakPolarHBondContact O-CG 3.37Å; D284-K288 PolarHBondContact O-N 3.18Å |
| 285 | K | 97.5 | Very high | 97.5 | Very high | 81 Ų | 81 | 75 Ų | 75 | 35% | 0.352 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 167.5 | -80 | -81.4 | -166.8 | 150.3 | 0 | 111.1 | E274 I281 T282 R287 K288 I289 | E274-K285 WeakPolarHBondContact OE1-CD 3.46Å; E274-K285 IonicContact OE1-NZ 2.68Å; E274-K285 PolarHBondContact OE1-NZ 3.05Å; E274-K285 WeakPolarHBondContact OE2-CD 3.32Å; E274-K285 IonicContact OE2-NZ 2.67Å; E274-K285 PolarHBondContact OE2-NZ 3.37Å; I281-K285 HydrophobicContact CD1-CB 3.53Å; I281-K285 HydrophobicContact CG1-CB 4.41Å; T282-K285 WeakPolarHBondContact OG1-CB 3.49Å; K285-R287 PolarHBondContact O-N 3.37Å; K285-K288 PolarHBondContact O-N 3.18Å; K285-I289 WeakPolarHBondContact O-CG1 3.37Å; K285-I289 PolarHBondContact O-N 3.25Å |
| 286 | R | 98.2 | Very high | 97.5 | Very high | 63 Ų | 63 | 77.3 Ų | 77.3 | 24% | 0.238 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 174.6 | -165.1 | -173.2 | -56.7 | 170.9 | 3.4 | 112.3 | I281 T282 K283 D284 I289 S290 E297 I300 T301 | I281-R286 HydrophobicContact CG1-CB 3.9Å; I281-R286 HydrophobicContact CG1-CG 4.45Å; I281-R286 PolarHBondContact O-NH2 2.95Å; T282-R286 VanDerWaalsContact O-CB 3.25Å; T282-R286 WeakPolarHBondContact O-CB 3.22Å; T282-R286 PolarHBondContact O-N 2.78Å; K283-R286 WeakPolarHBondContact O-CB 3.47Å; K283-R286 PolarHBondContact O-N 3.41Å; D284-R286 VanDerWaalsContact C-N 3.34Å; R286-I289 PolarHBondContact O-N 3.27Å; R286-S290 WeakPolarHBondContact O-CB 3.48Å; R286-S290 PolarHBondContact O-N 3Å; R286-E297 WeakPolarHBondContact CD-OE2 3.48Å; R286-E297 HydrophobicContact CG-CB 4.02Å; R286-E297 HydrophobicContact CG-CG 4.01Å; R286-I300 HydrophobicContact CG-CB 4.19Å; R286-I300 HydrophobicContact CG-CD1 4.48Å; R286-I300 HydrophobicContact CG-CG2 3.97Å; R286-T301 WeakPolarHBondContact CD-OG1 3.4Å; R286-T301 PolarHBondContact NE-OG1 3.07Å; R286-T301 PolarHBondContact NH1-OG1 2.96Å |
| 287 | R | 98.3 | Very high | 97.6 | Very high | 136 Ų | 136 | 77 Ų | 77 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 173.1 | -72.7 | 170.4 | 63.1 | -136.7 | -1.7 | 112.1 | K283 D284 K285 S290 A291 E297 | K283-R287 WeakPolarHBondContact O-CG 3.35Å; K283-R287 PolarHBondContact O-N 2.93Å; D284-R287 PolarHBondContact O-N 3.16Å; D284-R287 IonicContact OD1-CZ 2.73Å; D284-R287 IonicContact OD1-NH1 3.62Å; D284-R287 PolarHBondContact OD1-NH1 2.93Å; K285-R287 PolarHBondContact O-N 3.37Å; R287-S290 WeakPolarHBondContact O-CB 3.25Å; R287-S290 PolarHBondContact O-N 3.2Å; R287-A291 PolarHBondContact O-N 2.83Å; R287-A291 VanDerWaalsContact O-N 3.12Å; R287-E297 VanDerWaalsContact CG-OE1 3.29Å; R287-E297 WeakPolarHBondContact CG-OE1 3.47Å |
| 288 | K | 98 | Very high | 97.6 | Very high | 145 Ų | 145 | 82.5 Ų | 82.5 | 63% | 0.63 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.4 | -47.7 | 177.5 | -73.4 | 176.6 | 179.7 | -172 | 0 | 112.1 | D284 K285 S290 A291 V292 | D284-K288 WeakPolarHBondContact O-CG 3.37Å; D284-K288 PolarHBondContact O-N 3.18Å; K285-K288 PolarHBondContact O-N 3.18Å; K288-S290 VanDerWaalsContact C-N 3.3Å; K288-S290 PolarHBondContact O-N 3.32Å; K288-A291 PolarHBondContact O-N 3.17Å; K288-V292 WeakPolarHBondContact O-CG2 3.37Å; K288-V292 PolarHBondContact O-N 3.09Å |
| 289 | I | 97.4 | Very high | 97.7 | Very high | 6 Ų | 6 | 82.2 Ų | 82.2 | 3% | 0.031 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 175.1 | -63.4 | 169.2 | 0 | 0 | 0 | 110.7 | L271 E274 I281 K285 R286 A291 V292 T293 I300 F304 | L271-I289 HydrophobicContact CD2-CG2 3.96Å; E274-I289 HydrophobicContact CB-CD1 3.7Å; E274-I289 HydrophobicContact CG-CD1 3.7Å; E274-I289 HydrophobicContact CG-CG1 4.02Å; I281-I289 HydrophobicContact CD1-CD1 3.56Å; I281-I289 HydrophobicContact CG1-CD1 4.34Å; K285-I289 WeakPolarHBondContact O-CG1 3.37Å; K285-I289 PolarHBondContact O-N 3.25Å; R286-I289 PolarHBondContact O-N 3.27Å; I289-A291 PolarHBondContact O-N 3.21Å; I289-V292 PolarHBondContact O-N 3.04Å; I289-T293 HydrophobicContact CG2-CG2 3.8Å; I289-T293 WeakPolarHBondContact O-CB 3.46Å; I289-T293 WeakPolarHBondContact O-CG2 3.41Å; I289-T293 PolarHBondContact O-N 3.28Å; I289-T293 PolarHBondContact O-OG1 2.95Å; I289-I300 HydrophobicContact CB-CD1 4.02Å; I289-I300 HydrophobicContact CG2-CD1 3.73Å; I289-I300 HydrophobicContact CG2-CG1 4.13Å; I289-I300 HydrophobicContact CG2-CG2 4.45Å; I289-F304 HydrophobicContact CD1-CE2 4.42Å |
| 290 | S | 98.3 | Very high | 97.8 | Very high | 30 Ų | 30 | 78.2 Ų | 78.2 | 21% | 0.21 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 179.5 | -169 | 0 | 0 | 0 | 0 | 112.1 | R286 R287 K288 N294 L295 | R286-S290 WeakPolarHBondContact O-CB 3.48Å; R286-S290 PolarHBondContact O-N 3Å; R287-S290 WeakPolarHBondContact O-CB 3.25Å; R287-S290 PolarHBondContact O-N 3.2Å; K288-S290 VanDerWaalsContact C-N 3.3Å; K288-S290 PolarHBondContact O-N 3.32Å; S290-N294 WeakPolarHBondContact O-CA 3.4Å; S290-N294 PolarHBondContact O-N 3.38Å; S290-L295 WeakPolarHBondContact CA-O 3.41Å; S290-L295 WeakPolarHBondContact CB-O 3.5Å; S290-L295 PolarHBondContact OG-O 3.48Å |
| 291 | A | 97.7 | Very high | 97.8 | Very high | 77 Ų | 77 | 73.8 Ų | 73.8 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R287 K288 I289 | R287-A291 PolarHBondContact O-N 2.83Å; R287-A291 VanDerWaalsContact O-N 3.12Å; K288-A291 PolarHBondContact O-N 3.17Å; I289-A291 PolarHBondContact O-N 3.21Å |
| 292 | V | 97.1 | Very high | 97.8 | Very high | 99 Ų | 99 | 75.8 Ų | 75.8 | 60% | 0.6 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -76.6 | -35.8 | -178.3 | 176.8 | 0 | 0 | 0 | 0 | 112.6 | E270 K288 I289 | E270-V292 HydrophobicContact CG-CG1 4.36Å; K288-V292 WeakPolarHBondContact O-CG2 3.37Å; K288-V292 PolarHBondContact O-N 3.09Å; I289-V292 PolarHBondContact O-N 3.04Å |
| 293 | T | 96.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 73 Ų | 73 | 5% | 0.049 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -97 | -10 | -172.7 | 61.9 | 0 | 0 | 0 | 0 | 114.4 | Q267 E270 I289 L295 | Q267-T293 WeakPolarHBondContact CG-O 3.44Å; Q267-T293 PolarHBondContact NE2-O 3.28Å; E270-T293 HydrophobicContact CB-CG2 3.96Å; I289-T293 HydrophobicContact CG2-CG2 3.8Å; I289-T293 WeakPolarHBondContact O-CB 3.46Å; I289-T293 WeakPolarHBondContact O-CG2 3.41Å; I289-T293 PolarHBondContact O-N 3.28Å; I289-T293 PolarHBondContact O-OG1 2.95Å; T293-L295 PolarHBondContact O-N 2.94Å |
| 294 | N | 97.6 | Very high | 97.9 | Very high | 143 Ų | 143 | 66.4 Ų | 66.4 | 77% | 0.765 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 31.2 | -170.1 | -67.2 | -79.1 | 0 | 0 | 0 | 113.2 | S290 | S290-N294 WeakPolarHBondContact O-CA 3.4Å; S290-N294 PolarHBondContact O-N 3.38Å |
| 295 | L | 97.2 | Very high | 97.9 | Very high | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | trans | -105 | 139.7 | 173.2 | -64.5 | -178.8 | 0 | 0 | 0 | 110.3 | Y263 Q267 L271 S290 T293 Q299 I300 | Y263-L295 HydrophobicContact CD1-CD1 3.77Å; Y263-L295 HydrophobicContact CD1-CD2 3.8Å; Y263-L295 HydrophobicContact CD1-CG 4.46Å; Y263-L295 HydrophobicContact CE1-CD1 3.83Å; Y263-L295 HydrophobicContact CE1-CD2 3.72Å; Y263-L295 HydrophobicContact CE1-CG 4.43Å; Q267-L295 HydrophobicContact CB-CD1 4.19Å; Q267-L295 HydrophobicContact CG-CD1 4.3Å; Q267-L295 HydrophobicContact CG-CG 4.35Å; L271-L295 HydrophobicContact CD1-CD1 3.9Å; S290-L295 WeakPolarHBondContact CA-O 3.41Å; S290-L295 WeakPolarHBondContact CB-O 3.5Å; S290-L295 PolarHBondContact OG-O 3.48Å; T293-L295 PolarHBondContact O-N 2.94Å; L295-Q299 HydrophobicContact CB-CB 4.42Å; L295-I300 HydrophobicContact CB-CD1 4.44Å; L295-I300 HydrophobicContact CB-CG1 4.11Å | ||
| 296 | S | 98.3 | Very high | 97.9 | Very high | 52 Ų | 52 | 67.9 Ų | 67.9 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | trans | -62.6 | 148.8 | 174.9 | 64.6 | 0 | 0 | 0 | 0 | 111.9 | R298 Q299 I300 | S296-R298 PolarHBondContact O-N 2.85Å; S296-Q299 WeakPolarHBondContact O-CB 3.29Å; S296-Q299 PolarHBondContact O-N 3.11Å; S296-Q299 WeakPolarHBondContact OG-CG 3.45Å; S296-Q299 PolarHBondContact OG-N 2.76Å; S296-Q299 PolarHBondContact OG-OE1 2.77Å; S296-I300 PolarHBondContact O-N 3.32Å | ||
| 297 | E | 98.1 | Very high | 98 | Very high | 72 Ų | 72 | 67.7 Ų | 67.7 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -51 | -33.2 | 173.1 | -71.6 | -162.7 | -137.1 | 0 | 0 | 112.9 | R286 R287 T301 | R286-E297 WeakPolarHBondContact CD-OE2 3.48Å; R286-E297 HydrophobicContact CG-CB 4.02Å; R286-E297 HydrophobicContact CG-CG 4.01Å; R287-E297 VanDerWaalsContact CG-OE1 3.29Å; R287-E297 WeakPolarHBondContact CG-OE1 3.47Å; E297-T301 WeakPolarHBondContact O-CB 3.49Å; E297-T301 PolarHBondContact O-N 3.14Å; E297-T301 PolarHBondContact O-OG1 3.2Å |
| 298 | R | 97.9 | Very high | 97.9 | Very high | 195 Ų | 195 | 65.4 Ų | 65.4 | 74% | 0.736 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.7 | -45 | 174.9 | -172.9 | -179.5 | 179.6 | -167.2 | 2.1 | 112.1 | S296 I300 T301 I302 | S296-R298 PolarHBondContact O-N 2.85Å; R298-I300 VanDerWaalsContact C-N 3.35Å; R298-T301 PolarHBondContact O-N 3.38Å; R298-I302 HydrophobicContact CG-CD1 3.93Å; R298-I302 WeakPolarHBondContact O-CB 3.37Å; R298-I302 VanDerWaalsContact O-CG1 3.29Å; R298-I302 WeakPolarHBondContact O-CG1 3.28Å; R298-I302 PolarHBondContact O-N 3.13Å |
| 299 | Q | 98 | Very high | 97.9 | Very high | 75 Ų | 75 | 62.2 Ų | 62.2 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 175.6 | -76.9 | 161.6 | -69.8 | 0 | 0 | 111.5 | L295 S296 I302 W303 | L295-Q299 HydrophobicContact CB-CB 4.42Å; S296-Q299 WeakPolarHBondContact O-CB 3.29Å; S296-Q299 PolarHBondContact O-N 3.11Å; S296-Q299 WeakPolarHBondContact OG-CG 3.45Å; S296-Q299 PolarHBondContact OG-N 2.76Å; S296-Q299 PolarHBondContact OG-OE1 2.77Å; Q299-I302 PolarHBondContact O-N 3.2Å; Q299-W303 WeakPolarHBondContact O-CB 3.34Å; Q299-W303 PolarHBondContact O-N 2.96Å |
| 300 | I | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 175.9 | -62.1 | 163.7 | 0 | 0 | 0 | 110.1 | L271 I281 R286 I289 L295 S296 R298 I302 W303 F304 | L271-I300 HydrophobicContact CD2-CG1 4.27Å; L271-I300 HydrophobicContact CD2-CG2 4.03Å; I281-I300 HydrophobicContact CG1-CG2 4.42Å; R286-I300 HydrophobicContact CG-CB 4.19Å; R286-I300 HydrophobicContact CG-CD1 4.48Å; R286-I300 HydrophobicContact CG-CG2 3.97Å; I289-I300 HydrophobicContact CB-CD1 4.02Å; I289-I300 HydrophobicContact CG2-CD1 3.73Å; I289-I300 HydrophobicContact CG2-CG1 4.13Å; I289-I300 HydrophobicContact CG2-CG2 4.45Å; L295-I300 HydrophobicContact CB-CD1 4.44Å; L295-I300 HydrophobicContact CB-CG1 4.11Å; S296-I300 PolarHBondContact O-N 3.32Å; R298-I300 VanDerWaalsContact C-N 3.35Å; I300-I302 PolarHBondContact O-N 3.38Å; I300-W303 PolarHBondContact O-N 3.37Å; I300-F304 HydrophobicContact CG2-CD2 3.94Å; I300-F304 HydrophobicContact CG2-CE2 4.03Å; I300-F304 WeakPolarHBondContact O-CD2 3.15Å; I300-F304 PolarHBondContact O-N 3.16Å |
| 301 | T | 98.3 | Very high | 97.8 | Very high | 35 Ų | 35 | 68.6 Ų | 68.6 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 177.5 | -55.1 | 0 | 0 | 0 | 0 | 112 | R286 E297 R298 F304 Q305 | R286-T301 WeakPolarHBondContact CD-OG1 3.4Å; R286-T301 PolarHBondContact NE-OG1 3.07Å; R286-T301 PolarHBondContact NH1-OG1 2.96Å; E297-T301 WeakPolarHBondContact O-CB 3.49Å; E297-T301 PolarHBondContact O-N 3.14Å; E297-T301 PolarHBondContact O-OG1 3.2Å; R298-T301 PolarHBondContact O-N 3.38Å; T301-F304 PolarHBondContact O-N 3.1Å; T301-Q305 WeakPolarHBondContact O-CG 3.41Å; T301-Q305 PolarHBondContact O-N 3.39Å |
| 302 | I | 98.3 | Very high | 97.8 | Very high | 63 Ų | 63 | 72.5 Ų | 72.5 | 32% | 0.323 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 176.6 | -70 | 167.2 | 0 | 0 | 0 | 111.1 | R298 Q299 I300 Q305 N306 | R298-I302 HydrophobicContact CG-CD1 3.93Å; R298-I302 WeakPolarHBondContact O-CB 3.37Å; R298-I302 VanDerWaalsContact O-CG1 3.29Å; R298-I302 WeakPolarHBondContact O-CG1 3.28Å; R298-I302 PolarHBondContact O-N 3.13Å; Q299-I302 PolarHBondContact O-N 3.2Å; I300-I302 PolarHBondContact O-N 3.38Å; I302-Q305 PolarHBondContact O-N 3.4Å; I302-N306 WeakPolarHBondContact O-CB 3.44Å; I302-N306 VanDerWaalsContact O-CG 3.28Å; I302-N306 PolarHBondContact O-N 3Å; I302-N306 PolarHBondContact O-ND2 3.41Å |
| 303 | W | 98.3 | Very high | 97.7 | Very high | 20 Ų | 20 | 74.9 Ų | 74.9 | 8% | 0.076 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | 176.1 | -172.3 | 103.6 | 0 | 0 | 0 | 111.2 | Y263 L271 E272 Y275 Q299 I300 Q305 N306 R307 | Y263-W303 AromaticContact CD2-CD1 3.91Å; Y263-W303 AromaticContact CE2-CD1 3.73Å; L271-W303 HydrophobicContact CB-CD2 4.01Å; L271-W303 HydrophobicContact CB-CE3 4Å; L271-W303 HydrophobicContact CB-CH2 3.82Å; L271-W303 HydrophobicContact CB-CZ2 3.79Å; L271-W303 HydrophobicContact CB-CZ3 3.92Å; L271-W303 HydrophobicContact CD1-CD2 3.94Å; L271-W303 HydrophobicContact CD1-CG 3.86Å; L271-W303 HydrophobicContact CD2-CD2 4.25Å; L271-W303 HydrophobicContact CD2-CE3 4.14Å; L271-W303 HydrophobicContact CD2-CG 4.49Å; L271-W303 HydrophobicContact CG-CD2 4.3Å; L271-W303 HydrophobicContact CG-CE3 4.48Å; E272-W303 HydrophobicContact CB-CH2 4.5Å; E272-W303 HydrophobicContact CG-CH2 3.61Å; E272-W303 HydrophobicContact CG-CZ2 3.58Å; Y275-W303 HydrophobicContact CD2-CZ3 4.05Å; Y275-W303 HydrophobicContact CG-CH2 4.41Å; Y275-W303 HydrophobicContact CG-CZ3 4.17Å; Q299-W303 WeakPolarHBondContact O-CB 3.34Å; Q299-W303 PolarHBondContact O-N 2.96Å; I300-W303 PolarHBondContact O-N 3.37Å; W303-Q305 VanDerWaalsContact C-N 3.3Å; W303-Q305 PolarHBondContact O-N 3.14Å; W303-N306 PolarHBondContact O-N 3.38Å; W303-R307 HydrophobicContact CD2-CB 4.44Å; W303-R307 HydrophobicContact CE3-CB 3.99Å; W303-R307 HydrophobicContact CH2-CB 3.96Å; W303-R307 HydrophobicContact CH2-CG 3.6Å; W303-R307 HydrophobicContact CZ2-CB 4.42Å; W303-R307 HydrophobicContact CZ2-CG 4.23Å; W303-R307 HydrophobicContact CZ3-CB 3.72Å; W303-R307 HydrophobicContact CZ3-CG 3.76Å; W303-R307 WeakPolarHBondContact O-CB 3.34Å; W303-R307 PolarHBondContact O-N 3.46Å |
| 304 | F | 98.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 80.3 Ų | 80.3 | 2% | 0.022 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.3 | -29.2 | 176.4 | -90.5 | -102.1 | 0 | 0 | 0 | 113.4 | L271 E274 Y275 N278 I281 I289 I300 T301 R308 | L271-F304 HydrophobicContact CD2-CD2 4.48Å; L271-F304 HydrophobicContact CD2-CE2 4.03Å; E274-F304 HydrophobicContact CB-CZ 4.34Å; Y275-F304 AromaticContact CD2-CD1 3.73Å; Y275-F304 HydrophobicContact CD2-CD1 3.73Å; Y275-F304 AromaticContact CD2-CE1 3.72Å; Y275-F304 HydrophobicContact CD2-CE1 3.72Å; Y275-F304 HydrophobicContact CD2-CZ 4.47Å; Y275-F304 HydrophobicContact CE2-CD1 4.3Å; Y275-F304 HydrophobicContact CG-CE1 4.48Å; N278-F304 WeakPolarHBondContact O-CE1 3.35Å; I281-F304 HydrophobicContact CB-CD1 3.83Å; I281-F304 HydrophobicContact CB-CD2 4.1Å; I281-F304 HydrophobicContact CB-CE1 3.82Å; I281-F304 HydrophobicContact CB-CE2 4.1Å; I281-F304 HydrophobicContact CB-CG 3.98Å; I281-F304 HydrophobicContact CB-CZ 3.97Å; I281-F304 HydrophobicContact CD1-CE1 4.36Å; I281-F304 HydrophobicContact CD1-CE2 4.26Å; I281-F304 HydrophobicContact CD1-CZ 3.89Å; I281-F304 HydrophobicContact CG1-CE2 4.22Å; I281-F304 HydrophobicContact CG1-CZ 4.21Å; I281-F304 HydrophobicContact CG2-CB 4.11Å; I281-F304 HydrophobicContact CG2-CD1 4.08Å; I281-F304 HydrophobicContact CG2-CD2 3.97Å; I281-F304 HydrophobicContact CG2-CE2 4.44Å; I281-F304 HydrophobicContact CG2-CG 3.78Å; I289-F304 HydrophobicContact CD1-CE2 4.42Å; I300-F304 HydrophobicContact CG2-CD2 3.94Å; I300-F304 HydrophobicContact CG2-CE2 4.03Å; I300-F304 WeakPolarHBondContact O-CD2 3.15Å; I300-F304 PolarHBondContact O-N 3.16Å; T301-F304 PolarHBondContact O-N 3.1Å; F304-R308 PolarHBondContact O-N 3.44Å; F304-R308 PolarHBondContact O-NE 3.06Å; F304-R308 VanDerWaalsContact O-NE 3.16Å |
| 305 | Q | 98.4 | Very high | 97.2 | Very high | 93 Ų | 93 | 78.1 Ų | 78.1 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.8 | -51.9 | 169 | -71.4 | 168.1 | -5.5 | 0 | 0 | 110.9 | T301 I302 W303 R307 R308 V309 | T301-Q305 WeakPolarHBondContact O-CG 3.41Å; T301-Q305 PolarHBondContact O-N 3.39Å; I302-Q305 PolarHBondContact O-N 3.4Å; W303-Q305 VanDerWaalsContact C-N 3.3Å; W303-Q305 PolarHBondContact O-N 3.14Å; Q305-R307 VanDerWaalsContact C-N 3.32Å; Q305-R307 PolarHBondContact O-N 3.44Å; Q305-R308 PolarHBondContact O-N 2.85Å; Q305-V309 WeakPolarHBondContact O-CG2 3.23Å; Q305-V309 PolarHBondContact O-N 3.3Å; Q305-V309 VanDerWaalsContact O-N 3.13Å |
| 306 | N | 98.1 | Very high | 96.9 | Very high | 101 Ų | 101 | 80.6 Ų | 80.6 | 54% | 0.54 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 179.1 | -71.9 | -30.9 | 0 | 0 | 0 | 112.6 | I302 W303 V309 K310 | I302-N306 WeakPolarHBondContact O-CB 3.44Å; I302-N306 VanDerWaalsContact O-CG 3.28Å; I302-N306 PolarHBondContact O-N 3Å; I302-N306 PolarHBondContact O-ND2 3.41Å; W303-N306 PolarHBondContact O-N 3.38Å; N306-V309 PolarHBondContact O-N 3.26Å; N306-K310 WeakPolarHBondContact O-CB 3.4Å; N306-K310 PolarHBondContact O-N 3.32Å |
| 307 | R | 98.3 | Very high | 96.4 | Very high | 58 Ų | 58 | 85.9 Ų | 85.9 | 22% | 0.219 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67 | -39.5 | -178.8 | -172 | 63.2 | 179.5 | 69.8 | -2.8 | 112.3 | E272 Y275 W303 Q305 K310 E311 | E272-R307 IonicContact OE1-NE 3.61Å; Y275-R307 HydrophobicContact CD1-CG 3.71Å; Y275-R307 HydrophobicContact CD2-CB 4.11Å; Y275-R307 HydrophobicContact CD2-CG 3.69Å; Y275-R307 HydrophobicContact CE1-CG 3.62Å; Y275-R307 HydrophobicContact CE2-CB 3.85Å; Y275-R307 HydrophobicContact CE2-CG 3.6Å; Y275-R307 HydrophobicContact CG-CG 3.75Å; W303-R307 HydrophobicContact CD2-CB 4.44Å; W303-R307 HydrophobicContact CE3-CB 3.99Å; W303-R307 HydrophobicContact CH2-CB 3.96Å; W303-R307 HydrophobicContact CH2-CG 3.6Å; W303-R307 HydrophobicContact CZ2-CB 4.42Å; W303-R307 HydrophobicContact CZ2-CG 4.23Å; W303-R307 HydrophobicContact CZ3-CB 3.72Å; W303-R307 HydrophobicContact CZ3-CG 3.76Å; W303-R307 WeakPolarHBondContact O-CB 3.34Å; W303-R307 PolarHBondContact O-N 3.46Å; Q305-R307 VanDerWaalsContact C-N 3.32Å; Q305-R307 PolarHBondContact O-N 3.44Å; R307-K310 PolarHBondContact O-N 3.06Å; R307-E311 IonicContact NH1-OE1 2.8Å; R307-E311 WeakPolarHBondContact O-CB 3.34Å; R307-E311 PolarHBondContact O-N 2.86Å |
| 308 | R | 97.9 | Very high | 95.8 | Very high | 89 Ų | 89 | 87 Ų | 87 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 171.3 | -74.6 | -179.2 | -66.2 | 143.4 | 0.2 | 112.5 | Y275 K279 F304 Q305 K310 E311 K312 | Y275-R308 HydrophobicContact CE2-CG 3.88Å; Y275-R308 WeakPolarHBondContact OH-CA 3.47Å; Y275-R308 WeakPolarHBondContact OH-CG 3.35Å; Y275-R308 PolarHBondContact OH-N 3.03Å; K279-R308 WeakPolarHBondContact O-CD 3.47Å; F304-R308 PolarHBondContact O-N 3.44Å; F304-R308 PolarHBondContact O-NE 3.06Å; F304-R308 VanDerWaalsContact O-NE 3.16Å; Q305-R308 PolarHBondContact O-N 2.85Å; R308-K310 VanDerWaalsContact C-N 3.33Å; R308-K310 PolarHBondContact O-N 3.43Å; R308-E311 PolarHBondContact O-N 3.06Å; R308-K312 PolarHBondContact O-N 3.05Å |
| 309 | V | 98.1 | Very high | 94.9 | Very high | 77 Ų | 77 | 85 Ų | 85 | 47% | 0.467 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 175.1 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | Q305 N306 K313 | Q305-V309 WeakPolarHBondContact O-CG2 3.23Å; Q305-V309 PolarHBondContact O-N 3.3Å; Q305-V309 VanDerWaalsContact O-N 3.13Å; N306-V309 PolarHBondContact O-N 3.26Å; V309-K313 HydrophobicContact CG1-CD 4.41Å; V309-K313 WeakPolarHBondContact O-CG 3.5Å; V309-K313 PolarHBondContact O-N 2.96Å; V309-K313 VanDerWaalsContact O-N 3.11Å |
| 310 | K | 96.9 | Very high | 93.6 | Very high | 115 Ų | 115 | 86.4 Ų | 86.4 | 50% | 0.5 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 175.7 | -158.2 | -168.1 | -176 | -166.4 | 0 | 111.3 | N306 R307 R308 K313 F314 | N306-K310 WeakPolarHBondContact O-CB 3.4Å; N306-K310 PolarHBondContact O-N 3.32Å; R307-K310 PolarHBondContact O-N 3.06Å; R308-K310 VanDerWaalsContact C-N 3.33Å; R308-K310 PolarHBondContact O-N 3.43Å; K310-K313 PolarHBondContact O-N 3.14Å; K310-F314 HydrophobicContact CD-CE2 3.84Å; K310-F314 HydrophobicContact CD-CZ 4.48Å; K310-F314 HydrophobicContact CG-CD2 4.17Å; K310-F314 HydrophobicContact CG-CE2 3.64Å; K310-F314 HydrophobicContact CG-CZ 4.33Å; K310-F314 VanDerWaalsContact O-CD2 3.23Å; K310-F314 WeakPolarHBondContact O-CD2 3.42Å; K310-F314 PolarHBondContact O-N 2.99Å |
| 311 | E | 96.6 | Very high | 92.1 | Very high | 55 Ų | 55 | 91 Ų | 91 | 26% | 0.257 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.4 | -49.9 | 177.1 | -168.3 | 164.4 | -111.8 | 0 | 0 | 111.8 | Y275 K279 R307 R308 K313 F314 V315 | Y275-E311 WeakPolarHBondContact CE1-OE1 3.46Å; Y275-E311 WeakPolarHBondContact CE1-OE2 3.27Å; Y275-E311 PolarHBondContact OH-OE2 3.25Å; K279-E311 IonicContact NZ-OE1 3.53Å; K279-E311 PolarHBondContact NZ-OE1 3.02Å; K279-E311 IonicContact NZ-OE2 3.82Å; R307-E311 IonicContact NH1-OE1 2.8Å; R307-E311 WeakPolarHBondContact O-CB 3.34Å; R307-E311 PolarHBondContact O-N 2.86Å; R308-E311 PolarHBondContact O-N 3.06Å; E311-K313 VanDerWaalsContact C-N 3.28Å; E311-K313 PolarHBondContact O-N 3.19Å; E311-F314 PolarHBondContact O-N 2.95Å; E311-F314 VanDerWaalsContact O-N 3.09Å; E311-V315 WeakPolarHBondContact O-CG2 3.47Å; E311-V315 PolarHBondContact O-N 3.04Å |
| 312 | K | 96.5 | Very high | 89.9 | Confident | 159 Ų | 159 | 94.7 Ų | 94.7 | 69% | 0.691 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.1 | -38.5 | 175.8 | -169.4 | 172.9 | 75.9 | 163.5 | 0 | 112.5 | R308 A316 | R308-K312 PolarHBondContact O-N 3.05Å; K312-A316 VanDerWaalsContact O-CB 3.28Å; K312-A316 WeakPolarHBondContact O-CB 3.28Å; K312-A316 PolarHBondContact O-N 3.18Å |
| 313 | K | 95.4 | Very high | 89.5 | Confident | 149 Ų | 149 | 96.3 Ų | 96.3 | 65% | 0.648 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.4 | -35.9 | 176.5 | -76.8 | -177.9 | 176.6 | -167 | 0 | 113.1 | V309 K310 E311 K317 | V309-K313 HydrophobicContact CG1-CD 4.41Å; V309-K313 WeakPolarHBondContact O-CG 3.5Å; V309-K313 PolarHBondContact O-N 2.96Å; V309-K313 VanDerWaalsContact O-N 3.11Å; K310-K313 PolarHBondContact O-N 3.14Å; E311-K313 VanDerWaalsContact C-N 3.28Å; E311-K313 PolarHBondContact O-N 3.19Å; K313-K317 WeakPolarHBondContact O-CB 3.15Å; K313-K317 PolarHBondContact O-N 3.08Å; K313-K317 VanDerWaalsContact O-N 3.14Å |
| 314 | F | 93.6 | Very high | 89.1 | Confident | 122 Ų | 122 | 100.3 Ų | 100.3 | 54% | 0.535 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.9 | -48.8 | 174.3 | -73.2 | -54.8 | 0 | 0 | 0 | 111.7 | K310 E311 A316 K317 V318 | K310-F314 HydrophobicContact CD-CE2 3.84Å; K310-F314 HydrophobicContact CD-CZ 4.48Å; K310-F314 HydrophobicContact CG-CD2 4.17Å; K310-F314 HydrophobicContact CG-CE2 3.64Å; K310-F314 HydrophobicContact CG-CZ 4.33Å; K310-F314 VanDerWaalsContact O-CD2 3.23Å; K310-F314 WeakPolarHBondContact O-CD2 3.42Å; K310-F314 PolarHBondContact O-N 2.99Å; E311-F314 PolarHBondContact O-N 2.95Å; E311-F314 VanDerWaalsContact O-N 3.09Å; F314-A316 VanDerWaalsContact C-N 3.33Å; F314-A316 PolarHBondContact O-N 3.11Å; F314-K317 PolarHBondContact O-N 3Å; F314-K317 VanDerWaalsContact O-N 3.1Å; F314-V318 WeakPolarHBondContact O-CG2 3.47Å; F314-V318 PolarHBondContact O-N 2.8Å |
| 315 | V | 91.2 | Very high | 88.5 | Confident | 98 Ų | 98 | 105.6 Ų | 105.6 | 59% | 0.594 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -57.7 | -46.1 | 177.9 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | E311 K317 V318 K319 | E311-V315 WeakPolarHBondContact O-CG2 3.47Å; E311-V315 PolarHBondContact O-N 3.04Å; V315-K317 VanDerWaalsContact C-N 3.32Å; V315-K317 PolarHBondContact O-N 2.83Å; V315-V318 PolarHBondContact O-N 3.25Å; V315-K319 WeakPolarHBondContact O-CB 3.41Å; V315-K319 PolarHBondContact O-N 2.86Å |
| 316 | A | 90.3 | Very high | 88 | Confident | 60 Ų | 60 | 106.3 Ų | 106.3 | 50% | 0.496 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.8 | -35.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K312 F314 S320 | K312-A316 VanDerWaalsContact O-CB 3.28Å; K312-A316 WeakPolarHBondContact O-CB 3.28Å; K312-A316 PolarHBondContact O-N 3.18Å; F314-A316 VanDerWaalsContact C-N 3.33Å; F314-A316 PolarHBondContact O-N 3.11Å; A316-S320 WeakPolarHBondContact O-CB 3.18Å; A316-S320 PolarHBondContact O-N 3.28Å |
| 317 | K | 87.8 | Confident | 87.3 | Confident | 162 Ų | 162 | 106.6 Ų | 106.6 | 70% | 0.704 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.2 | -42.1 | 177.1 | -172.8 | 167.2 | -177.8 | 175.8 | 0 | 112 | K313 F314 V315 K319 S320 S321 | K313-K317 WeakPolarHBondContact O-CB 3.15Å; K313-K317 PolarHBondContact O-N 3.08Å; K313-K317 VanDerWaalsContact O-N 3.14Å; F314-K317 PolarHBondContact O-N 3Å; F314-K317 VanDerWaalsContact O-N 3.1Å; V315-K317 VanDerWaalsContact C-N 3.32Å; V315-K317 PolarHBondContact O-N 2.83Å; K317-K319 VanDerWaalsContact C-N 3.34Å; K317-S320 PolarHBondContact O-N 3.17Å; K317-S320 VanDerWaalsContact O-N 3.16Å; K317-S321 PolarHBondContact O-N 3.27Å; K317-S321 PolarHBondContact O-OG 3.41Å |
| 318 | V | 86.3 | Confident | 86.6 | Confident | 96 Ų | 96 | 109.9 Ų | 109.9 | 58% | 0.582 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.5 | -42.4 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | F314 V315 S320 S321 A322 | F314-V318 WeakPolarHBondContact O-CG2 3.47Å; F314-V318 PolarHBondContact O-N 2.8Å; V315-V318 PolarHBondContact O-N 3.25Å; V318-S320 PolarHBondContact O-N 3.21Å; V318-S321 PolarHBondContact O-N 3.28Å; V318-S321 PolarHBondContact O-OG 3.12Å; V318-S321 VanDerWaalsContact O-OG 3.07Å; V318-A322 PolarHBondContact O-N 3.11Å |
| 319 | K | 78.3 | Confident | 85.8 | Confident | 152 Ų | 152 | 111.4 Ų | 111.4 | 66% | 0.661 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -5.2 | 177.2 | -171.7 | 57.2 | -146.3 | 139.6 | 0 | 114.5 | V315 K317 A322 | V315-K319 WeakPolarHBondContact O-CB 3.41Å; V315-K319 PolarHBondContact O-N 2.86Å; K317-K319 VanDerWaalsContact C-N 3.34Å; K319-A322 PolarHBondContact NZ-OXT 3.33Å |
| 320 | S | 69.4 | Low | 84.8 | Confident | 106 Ų | 106 | 114 Ų | 114 | 74% | 0.741 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -2.1 | 170.9 | -177.5 | 0 | 0 | 0 | 0 | 112.9 | A316 K317 V318 | A316-S320 WeakPolarHBondContact O-CB 3.18Å; A316-S320 PolarHBondContact O-N 3.28Å; K317-S320 PolarHBondContact O-N 3.17Å; K317-S320 VanDerWaalsContact O-N 3.16Å; V318-S320 PolarHBondContact O-N 3.21Å |
| 321 | S | 67.3 | Low | 83.8 | Confident | 97 Ų | 97 | 113.9 Ų | 113.9 | 68% | 0.678 | 63% | 0.625 | S | S | * | * | trans | -118.3 | 17.1 | 175.8 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | K317 V318 | K317-S321 PolarHBondContact O-N 3.27Å; K317-S321 PolarHBondContact O-OG 3.41Å; V318-S321 PolarHBondContact O-N 3.28Å; V318-S321 PolarHBondContact O-OG 3.12Å; V318-S321 VanDerWaalsContact O-OG 3.07Å | ||
| 322 | A | 53.4 | Low | 82.7 | Confident | 111 Ų | 111 | 119.3 Ų | 119.3 | 92% | 0.917 | 66% | 0.659 | S | S | * | * | trans | -156.6 | 0 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V318 K319 | V318-A322 PolarHBondContact O-N 3.11Å; K319-A322 PolarHBondContact NZ-OXT 3.33Å |
Retrieved 322 of 322 residues in 107.6 ms
(Link to these results)