| 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 | 42.6 | Very low | 47.3 | Very low | 238 Ų | 238 | 149.4 Ų | 149.4 | 100% | 1.172 | 78% | 0.78 | S | S | * | * | 0 | 109 | 0 | -70.4 | 174.6 | 176.3 | 0 | 0 | 106.2 | |||||
| 2 | Q | 44.1 | Very low | 47.2 | Very low | 171 Ų | 171 | 151.3 Ų | 151.3 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -142.5 | 128.7 | -168.9 | -87.6 | 155.2 | -71 | 0 | 0 | 105.6 | ||||
| 3 | N | 46.2 | Very low | 47.1 | Very low | 137 Ų | 137 | 149.4 Ų | 149.4 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | 69.6 | 112.6 | 98.5 | -65 | 26.6 | 0 | 0 | 0 | 111.8 | |||||
| 4 | T | 45.3 | Very low | 47.3 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | cis | 101.1 | 167 | 42 | 59.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 5 | S | 55.8 | Low | 47.4 | Very low | 103 Ų | 103 | 151.6 Ų | 151.6 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 77.5 | 125.9 | -167.5 | -65.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 6 | D | 46.7 | Very low | 47.3 | Very low | 163 Ų | 163 | 150.6 Ų | 150.6 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | cis | 58 | 85.3 | 12.6 | -82.6 | -31.3 | 0 | 0 | 0 | 115 | ||||
| 7 | E | 52.2 | Low | 47.4 | Very low | 186 Ų | 186 | 151.9 Ų | 151.9 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | -164.9 | 164.7 | 146.1 | -135.9 | 167.8 | 121.7 | 0 | 0 | 109.3 | ||||
| 8 | Q | 47.8 | Very low | 47.7 | Very low | 158 Ų | 158 | 154.3 Ų | 154.3 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | -166.3 | 139.3 | -70.9 | -159.7 | -161.8 | -95.2 | 0 | 0 | 105.7 | |||||
| 9 | T | 46.6 | Very low | 48.2 | Very low | 97 Ų | 97 | 152.7 Ų | 152.7 | 60% | 0.595 | 77% | 0.772 | S | S | * | * | trans | 62.5 | 138.7 | 150.8 | 37.9 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 10 | E | 45.8 | Very low | 47.9 | Very low | 151 Ų | 151 | 152.5 Ų | 152.5 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 85.3 | 111.2 | 133.1 | -79.2 | -172.8 | 99.4 | 0 | 0 | 123.6 | ||||
| 11 | N | 47.8 | Very low | 47.4 | Very low | 115 Ų | 115 | 153.1 Ų | 153.1 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | 107 | 127.1 | 118.3 | -71 | -12.2 | 0 | 0 | 0 | 121.4 | |||||
| 12 | E | 45.6 | Very low | 47.7 | Very low | 172 Ų | 172 | 150.9 Ų | 150.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 59.8 | 143.5 | 148.2 | -58.6 | 179.5 | 133.7 | 0 | 0 | 117.3 | ||||
| 13 | N | 45.4 | Very low | 47.9 | Very low | 127 Ų | 127 | 151.5 Ų | 151.5 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | cis | -166.2 | 168 | 28.3 | -153.4 | -33.1 | 0 | 0 | 0 | 110.2 | ||||
| 14 | K | 50.1 | Low | 47.9 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | 66.4 | 159.2 | 163 | -63 | -172.5 | -179 | -173.9 | 0 | 118.6 | ||||
| 15 | E | 48.9 | Very low | 48.1 | Very low | 158 Ų | 158 | 152.8 Ų | 152.8 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | cis | -161.8 | 172.2 | -38.6 | -150.1 | 164.3 | 153.2 | 0 | 0 | 108.1 | ||||
| 16 | E | 46.6 | Very low | 47.7 | Very low | 136 Ų | 136 | 154.2 Ų | 154.2 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | 61.9 | 110.9 | 166.6 | -57.1 | -144.9 | 86.7 | 0 | 0 | 122 | ||||
| 17 | K | 49.2 | Very low | 47.9 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | 40.6 | 113 | 126.7 | -54.6 | 167.4 | -168.6 | 153.7 | 0 | 119.6 | |||||
| 18 | Q | 51.6 | Low | 47.5 | Very low | 195 Ų | 195 | 146 Ų | 146 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 133.9 | 138.8 | -68.6 | -175.3 | -68.1 | 0 | 0 | 109.4 | ||
| 19 | P | 58.2 | Low | 47.6 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 155.1 | 170.2 | 31.8 | -33.3 | 0 | 0 | 0 | 111.9 | ||
| 20 | L | 42.7 | Very low | 47.9 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 154.6 | 172.4 | -135.6 | 74.2 | 0 | 0 | 0 | 109.8 | ||
| 21 | Q | 37.3 | Very low | 48.1 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | 50.7 | 107.3 | 157.5 | -59.3 | 176 | -92.1 | 0 | 0 | 118.9 | ||||
| 22 | E | 49 | Very low | 48.4 | Very low | 191 Ų | 191 | 141.6 Ų | 141.6 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | trans | -171.1 | 70.6 | 141.7 | -111.1 | 161.7 | -151.9 | 0 | 0 | 112.7 | ||||
| 23 | E | 47 | Very low | 48.9 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -142.1 | 31.3 | 177 | -152.2 | -167.8 | 133.3 | 0 | 0 | 113.2 | ||
| 24 | N | 46.8 | Very low | 49.5 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 84% | 0.84 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -154.3 | 27.5 | 179.6 | -112.9 | -93.5 | 0 | 0 | 0 | 113.5 | ||
| 25 | V | 48.5 | Very low | 49.8 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | -129.8 | 25.3 | -172.9 | -154.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 26 | N | 49 | Very low | 50.2 | Low | 133 Ų | 133 | 141.2 Ų | 141.2 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -127.7 | 27 | 175.7 | -157.7 | 20.8 | 0 | 0 | 0 | 114.5 | ||
| 27 | V | 50.9 | Low | 50.5 | Low | 125 Ų | 125 | 141.7 Ų | 141.7 | 76% | 0.758 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -102.3 | -13.3 | 171.3 | -173 | 0 | 0 | 0 | 0 | 111.4 | ||
| 28 | G | 43.5 | Very low | 50.7 | Low | 50 Ų | 50 | 140.5 Ų | 140.5 | 52% | 0.515 | 73% | 0.727 | S | S | . | * | S | Bend | trans | -79.9 | -46.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A30 Q31 E32 | G28-A30 PolarHBondContact O-N 2.7Å; G28-Q31 PolarHBondContact O-N 2.72Å; G28-Q31 VanDerWaalsContact O-N 3.11Å; G28-E32 PolarHBondContact O-N 3.26Å |
| 29 | A | 50.1 | Low | 51 | Low | 58 Ų | 58 | 138.7 Ų | 138.7 | 48% | 0.479 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -61.5 | -46.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q31 E32 E33 | A29-Q31 PolarHBondContact O-N 3.48Å; A29-E32 PolarHBondContact O-N 3Å; A29-E33 PolarHBondContact O-N 3.23Å |
| 30 | A | 52.1 | Low | 50.8 | Low | 65 Ų | 65 | 138 Ų | 138 | 54% | 0.537 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -65.4 | -8.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G28 | G28-A30 PolarHBondContact O-N 2.7Å |
| 31 | Q | 51.1 | Low | 51.5 | Low | 155 Ų | 155 | 138.3 Ų | 138.3 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -97.4 | -15.2 | 172.1 | -161.2 | 175 | 29 | 0 | 0 | 112.9 | G28 A29 | G28-Q31 PolarHBondContact O-N 2.72Å; G28-Q31 VanDerWaalsContact O-N 3.11Å; A29-Q31 PolarHBondContact O-N 3.48Å |
| 32 | E | 53.5 | Low | 52.3 | Low | 152 Ų | 152 | 137.8 Ų | 137.8 | 71% | 0.71 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -88.3 | -42.8 | 177.2 | -162.6 | 153.6 | -144.6 | 0 | 0 | 110.8 | G28 A29 K34 K35 E36 | G28-E32 PolarHBondContact O-N 3.26Å; A29-E32 PolarHBondContact O-N 3Å; E32-K34 PolarHBondContact O-N 2.96Å; E32-K35 WeakPolarHBondContact O-CA 3.25Å; E32-K35 VanDerWaalsContact O-CB 3.25Å; E32-K35 WeakPolarHBondContact O-CB 3.4Å; E32-K35 PolarHBondContact O-N 2.67Å; E32-E36 PolarHBondContact O-N 2.64Å |
| 33 | E | 54.7 | Low | 52.5 | Low | 148 Ų | 148 | 136.3 Ų | 136.3 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -41.9 | 175.7 | -171.2 | 173.1 | -160.8 | 0 | 0 | 112.7 | A29 K35 E36 Q37 | A29-E33 PolarHBondContact O-N 3.23Å; E33-K35 PolarHBondContact O-N 2.75Å; E33-E36 PolarHBondContact O-N 3.27Å; E33-Q37 PolarHBondContact O-N 3.09Å |
| 34 | K | 58.7 | Low | 53 | Low | 161 Ų | 161 | 134 Ų | 134 | 70% | 0.7 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -60.3 | -14.7 | 173.2 | -98.8 | -167.5 | 173.4 | -171.3 | 0 | 114.7 | E32 | E32-K34 PolarHBondContact O-N 2.96Å |
| 35 | K | 57 | Low | 53.4 | Low | 155 Ų | 155 | 129.8 Ų | 129.8 | 67% | 0.674 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -102.6 | -9.8 | -175.4 | -147.7 | 174.2 | -170.7 | 173.5 | 0 | 113.6 | E32 E33 | E32-K35 WeakPolarHBondContact O-CA 3.25Å; E32-K35 VanDerWaalsContact O-CB 3.25Å; E32-K35 WeakPolarHBondContact O-CB 3.4Å; E32-K35 PolarHBondContact O-N 2.67Å; E33-K35 PolarHBondContact O-N 2.75Å |
| 36 | E | 56.2 | Low | 53.6 | Low | 159 Ų | 159 | 130 Ų | 130 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -88.4 | -37.9 | 169.4 | -161.2 | 150 | -134.2 | 0 | 0 | 109.8 | E32 E33 E38 K39 | E32-E36 PolarHBondContact O-N 2.64Å; E33-E36 PolarHBondContact O-N 3.27Å; E36-E38 PolarHBondContact O-N 3.1Å; E36-K39 PolarHBondContact O-N 3.4Å |
| 37 | Q | 54.1 | Low | 53.7 | Low | 146 Ų | 146 | 131 Ų | 131 | 68% | 0.682 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65 | -34.4 | 177.7 | -163.7 | 167.2 | 49.5 | 0 | 0 | 114.2 | E33 K39 D40 | E33-Q37 PolarHBondContact O-N 3.09Å; Q37-K39 PolarHBondContact O-N 3.13Å; Q37-K39 VanDerWaalsContact O-N 3.16Å; Q37-D40 PolarHBondContact O-N 3.12Å |
| 38 | E | 53.9 | Low | 53.9 | Low | 147 Ų | 147 | 130.4 Ų | 130.4 | 69% | 0.687 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.6 | -12 | 178.6 | -165.1 | 175 | -154.8 | 0 | 0 | 113.3 | E36 | E36-E38 PolarHBondContact O-N 3.1Å |
| 39 | K | 56 | Low | 54.3 | Low | 157 Ų | 157 | 134.9 Ų | 134.9 | 68% | 0.683 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -91 | -31.2 | 179 | -97.3 | -177.1 | 169.2 | -173.5 | 0 | 115.1 | E36 Q37 E41 E42 | E36-K39 PolarHBondContact O-N 3.4Å; Q37-K39 PolarHBondContact O-N 3.13Å; Q37-K39 VanDerWaalsContact O-N 3.16Å; K39-E41 VanDerWaalsContact C-N 3.27Å; K39-E41 PolarHBondContact O-N 2.91Å; K39-E42 PolarHBondContact O-N 3.02Å |
| 40 | D | 55.9 | Low | 54.4 | Low | 111 Ų | 111 | 139 Ų | 139 | 59% | 0.594 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -74.2 | -18 | -175.3 | -109.4 | 0.3 | 0 | 0 | 0 | 112.8 | Q37 Q44 | Q37-D40 PolarHBondContact O-N 3.12Å; D40-Q44 PolarHBondContact O-NE2 2.82Å |
| 41 | E | 57.3 | Low | 54.3 | Low | 153 Ų | 153 | 140.2 Ų | 140.2 | 72% | 0.715 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -83.9 | -33.6 | 175 | -65.9 | -164.4 | 121.3 | 0 | 0 | 113 | K39 A45 | K39-E41 VanDerWaalsContact C-N 3.27Å; K39-E41 PolarHBondContact O-N 2.91Å; E41-A45 PolarHBondContact O-N 2.59Å |
| 42 | E | 52.6 | Low | 54.3 | Low | 155 Ų | 155 | 138.2 Ų | 138.2 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -69.1 | -38.3 | 179.3 | -167 | 173.6 | -154.5 | 0 | 0 | 111.6 | K39 A45 | K39-E42 PolarHBondContact O-N 3.02Å; E42-A45 PolarHBondContact O-N 3Å |
| 43 | E | 54.4 | Low | 54 | Low | 159 Ų | 159 | 140.2 Ų | 140.2 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -73.1 | -31.4 | 179.5 | -164.9 | 159.2 | -159.4 | 0 | 0 | 112.7 | ||
| 44 | Q | 57.2 | Low | 53.6 | Low | 138 Ų | 138 | 139.1 Ų | 139.1 | 65% | 0.645 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -73.1 | -25.6 | 172.3 | -79.4 | -178.7 | 80.5 | 0 | 0 | 113.5 | D40 | D40-Q44 PolarHBondContact O-NE2 2.82Å |
| 45 | A | 55.1 | Low | 52.9 | Low | 68 Ų | 68 | 139.4 Ų | 139.4 | 56% | 0.562 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -68.8 | -36.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E41 E42 E47 | E41-A45 PolarHBondContact O-N 2.59Å; E42-A45 PolarHBondContact O-N 3Å; A45-E47 PolarHBondContact O-N 3.02Å |
| 46 | E | 53 | Low | 52.1 | Low | 134 Ų | 134 | 141 Ų | 141 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -78.8 | -14.9 | -174.7 | -136.8 | -152.1 | 116 | 0 | 0 | 114.2 | K50 | E46-K50 PolarHBondContact O-NZ 3.25Å; E46-K50 WeakPolarHBondContact OE1-CE 3.2Å; E46-K50 IonicContact OE1-NZ 3.57Å; E46-K50 PolarHBondContact OE1-NZ 3.14Å |
| 47 | E | 50.3 | Low | 51.4 | Low | 156 Ų | 156 | 144.3 Ų | 144.3 | 73% | 0.729 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -77.3 | -35 | 178.3 | -168.1 | 172 | -174.9 | 0 | 0 | 112.6 | A45 D49 | A45-E47 PolarHBondContact O-N 3.02Å; E47-D49 PolarHBondContact O-N 2.92Å |
| 48 | V | 54.8 | Low | 51.1 | Low | 112 Ų | 112 | 146 Ų | 146 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -66.8 | -36.5 | -172.9 | -175.8 | 0 | 0 | 0 | 0 | 112.6 | K50 | V48-K50 PolarHBondContact O-N 3.38Å; V48-K50 VanDerWaalsContact O-N 3.16Å |
| 49 | D | 52.8 | Low | 50.5 | Low | 144 Ų | 144 | 147.3 Ų | 147.3 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 0.1 | -171.1 | -154.9 | 28.8 | 0 | 0 | 0 | 114.2 | E47 | E47-D49 PolarHBondContact O-N 2.92Š|
| 50 | K | 52 | Low | 49.8 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 63% | 0.63 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -2.8 | -177.7 | -58.9 | -169.9 | -177.9 | 80.6 | 0 | 114.7 | E46 V48 | E46-K50 PolarHBondContact O-NZ 3.25Å; E46-K50 WeakPolarHBondContact OE1-CE 3.2Å; E46-K50 IonicContact OE1-NZ 3.57Å; E46-K50 PolarHBondContact OE1-NZ 3.14Å; V48-K50 PolarHBondContact O-N 3.38Å; V48-K50 VanDerWaalsContact O-N 3.16Å |
| 51 | A | 50 | Low | 49.7 | Very low | 89 Ų | 89 | 146.9 Ų | 146.9 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -92.9 | -19.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K53 | A51-K53 PolarHBondContact O-N 3.45Š|
| 52 | S | 51.3 | Low | 49 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -94.5 | 81.3 | -166.3 | -70.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 53 | K | 47.8 | Very low | 48.5 | Very low | 194 Ų | 194 | 146.4 Ų | 146.4 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -147.7 | 97.4 | 167.8 | -162.5 | 169.2 | -172.3 | 172.8 | 0 | 113.9 | A51 | A51-K53 PolarHBondContact O-N 3.45Š| ||
| 54 | P | 44.6 | Very low | 48 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 128.1 | 174.1 | 31 | -32.2 | 0 | 0 | 0 | 111.2 | ||
| 55 | E | 46 | Very low | 47.7 | Very low | 168 Ų | 168 | 144 Ų | 144 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 121.3 | 171.1 | -171.6 | 175.3 | 124.5 | 0 | 0 | 109.4 | ||
| 56 | E | 39.2 | Very low | 47.2 | Very low | 189 Ų | 189 | 145.8 Ų | 145.8 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 139.9 | 178.9 | -68.2 | 179.2 | 95.5 | 0 | 0 | 112.1 | ||
| 57 | R | 42.4 | Very low | 46.8 | Very low | 227 Ų | 227 | 142.5 Ų | 142.5 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | trans | -147.7 | 129.7 | 161.8 | -120.9 | 176.9 | -173.9 | 139.7 | 9.3 | 113 | ||||
| 58 | E | 46.1 | Very low | 46.7 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -82.7 | 142.7 | -179.2 | -63.2 | -175.3 | 95.3 | 0 | 0 | 113 | ||||
| 59 | K | 42.4 | Very low | 46.2 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | 19.1 | 143.7 | 126.8 | -71.2 | 177.1 | 179.4 | 175.7 | 0 | 119.2 | |||||
| 60 | E | 41.3 | Very low | 46 | Very low | 164 Ų | 164 | 144 Ų | 144 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -162.9 | -163 | -9.1 | -130.2 | -165.9 | 108.8 | 0 | 0 | 108.8 | ||||
| 61 | P | 53.7 | Low | 46 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | trans | -124.2 | -156.1 | -140.1 | 40.5 | -18.5 | 0 | 0 | 0 | 115.8 | ||||
| 62 | Q | 41.4 | Very low | 46 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | 82.5 | 148.8 | 177.2 | -54.9 | -179.9 | -16.2 | 0 | 0 | 114.7 | ||||
| 63 | D | 42.7 | Very low | 45.8 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | cis | -151.2 | 153.6 | 14.2 | -147.9 | -27 | 0 | 0 | 0 | 115 | ||||
| 64 | T | 43.7 | Very low | 45.5 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | 40.2 | 157.3 | 156.3 | 30 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 65 | P | 52.4 | Low | 45.8 | Very low | 124 Ų | 124 | 144 Ų | 144 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | trans | -117.8 | 174.1 | -167.8 | 44.2 | -34.3 | 0 | 0 | 0 | 116.9 | ||||
| 66 | A | 43 | Very low | 45.6 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 88% | 0.876 | 77% | 0.765 | S | S | * | * | trans | -159.8 | 155.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 67 | G | 45.8 | Very low | 46.3 | Very low | 66 Ų | 66 | 144.5 Ų | 144.5 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | trans | 96.5 | 113.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 68 | E | 47.9 | Very low | 46.7 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | 72.8 | 131.4 | 59.6 | -63.7 | -168.7 | 136.4 | 0 | 0 | 113.2 | |||||
| 69 | T | 44.1 | Very low | 47.1 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | cis | -168 | 156.5 | 2.5 | 9.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 70 | E | 48 | Very low | 47.5 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | 63.2 | 152 | 149.3 | -65.7 | -167.1 | 156.8 | 0 | 0 | 119.7 | ||||
| 71 | K | 53.2 | Low | 48 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 60% | 0.604 | 76% | 0.761 | S | S | * | * | cis | -162.4 | 165.1 | -9.7 | -118.9 | 167.7 | 173.8 | 153.7 | 0 | 111.8 | ||||
| 72 | E | 48.7 | Very low | 47.6 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | trans | 24.9 | 136 | 146.6 | -63.8 | 166.1 | 106.8 | 0 | 0 | 120 | ||||
| 73 | T | 47.3 | Very low | 48 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | -148.9 | 167.4 | 50.6 | 41.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 74 | N | 41.8 | Very low | 48.3 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | -101.1 | 150.4 | 177.9 | -178 | 33.1 | 0 | 0 | 0 | 112.1 | ||||
| 75 | A | 50.6 | Low | 48.4 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -146.7 | 131.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 76 | E | 42.6 | Very low | 48.3 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -132.4 | 123.8 | -159 | 175 | -175.3 | 138 | 0 | 0 | 110.7 | ||||
| 77 | E | 53.1 | Low | 48.2 | Very low | 197 Ų | 197 | 147.4 Ų | 147.4 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -151.3 | 143.8 | 162.4 | -159.1 | 160.9 | -155.3 | 0 | 0 | 110.5 | ||||
| 78 | K | 51.6 | Low | 48.1 | Very low | 186 Ų | 186 | 149.1 Ų | 149.1 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | trans | -169 | 168.5 | -164.7 | -142.2 | -171.7 | -179.1 | -177.5 | 0 | 110.4 | ||||
| 79 | P | 53 | Low | 48 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | -104.3 | -135 | -84.1 | 40.7 | -26.6 | 0 | 0 | 0 | 110.4 | |||||
| 80 | V | 52 | Low | 47.8 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | 95 | 132.5 | -174.8 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 81 | D | 51.9 | Low | 47.6 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | cis | -131.2 | 171.1 | 17.2 | -134.7 | -31.3 | 0 | 0 | 0 | 115.3 | ||||
| 82 | E | 44.9 | Very low | 46.7 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -105.2 | -161.8 | 170.9 | -127.8 | -164.6 | 137.6 | 0 | 0 | 109.1 | ||||
| 83 | P | 49.9 | Very low | 46.7 | Very low | 94 Ų | 94 | 150.4 Ų | 150.4 | 61% | 0.61 | 82% | 0.816 | S | S | * | * | cis | -121.9 | 176.1 | -49.7 | 37.9 | -26 | 0 | 0 | 0 | 111.6 | ||||
| 84 | E | 49.8 | Very low | 46.6 | Very low | 193 Ų | 193 | 152.4 Ų | 152.4 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -154.5 | 153.1 | 136.5 | -129 | 158.1 | -153.1 | 0 | 0 | 112.9 | ||||
| 85 | K | 45.3 | Very low | 46.8 | Very low | 181 Ų | 181 | 154 Ų | 154 | 79% | 0.787 | 81% | 0.813 | S | S | * | * | trans | -137.9 | 123 | 179.2 | -69.1 | 177.1 | -177.4 | 173.5 | 0 | 108.9 | ||||
| 86 | E | 49.7 | Very low | 46.8 | Very low | 195 Ų | 195 | 158.3 Ų | 158.3 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -115.9 | 139.2 | 160.7 | -71.5 | -158.5 | 117 | 0 | 0 | 110.7 | ||||
| 87 | N | 40.2 | Very low | 46.9 | Very low | 154 Ų | 154 | 157.5 Ų | 157.5 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -133.9 | 114.8 | 170.3 | -79.1 | -104.2 | 0 | 0 | 0 | 107.5 | ||||
| 88 | A | 45.5 | Very low | 46.9 | Very low | 102 Ų | 102 | 155.9 Ų | 155.9 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -145.2 | 122.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 89 | S | 44.8 | Very low | 46.5 | Very low | 113 Ų | 113 | 154.5 Ų | 154.5 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | cis | 76.9 | 58.5 | 12.2 | -167 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 90 | E | 40.6 | Very low | 46.2 | Very low | 206 Ų | 206 | 157.8 Ų | 157.8 | 96% | 0.963 | 82% | 0.817 | S | S | * | * | trans | -156.3 | 160 | 143.2 | -118.8 | 177.3 | 155.7 | 0 | 0 | 111.1 | ||||
| 91 | G | 43.1 | Very low | 46.2 | Very low | 81 Ų | 81 | 160.6 Ų | 160.6 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | 125.1 | 68.6 | 173 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 92 | Q | 34.9 | Very low | 45.7 | Very low | 186 Ų | 186 | 161.4 Ų | 161.4 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | -108 | 115.4 | 166.4 | -75 | -167.6 | -79.6 | 0 | 0 | 112.3 | ||||
| 93 | E | 48.6 | Very low | 45.5 | Very low | 178 Ų | 178 | 161.9 Ų | 161.9 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -129.7 | 118.8 | 152.8 | -61.7 | -160.4 | 112.5 | 0 | 0 | 106.5 | ||||
| 94 | K | 45.5 | Very low | 45.2 | Very low | 184 Ų | 184 | 167.5 Ų | 167.5 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | 62.5 | 140.9 | 66.9 | -64.3 | 174.1 | -174.3 | 164.1 | 0 | 112.8 | |||||
| 95 | K | 44.3 | Very low | 44.9 | Very low | 163 Ų | 163 | 162.3 Ų | 162.3 | 71% | 0.709 | 84% | 0.84 | S | S | * | * | cis | 169.4 | 102.2 | -25.5 | 177.6 | -178.2 | -177.8 | -74.2 | 0 | 103.4 | E97 | K95-E97 IonicContact NZ-OE1 2.64Å; K95-E97 PolarHBondContact NZ-OE1 2.95Å | ||
| 96 | E | 52.2 | Low | 44.6 | Very low | 191 Ų | 191 | 161.1 Ų | 161.1 | 89% | 0.893 | 84% | 0.842 | S | S | * | * | trans | -154.9 | 104.6 | 169.2 | -138.5 | 164.5 | -156.5 | 0 | 0 | 103.9 | ||||
| 97 | E | 42.8 | Very low | 44.5 | Very low | 154 Ų | 154 | 158.1 Ų | 158.1 | 72% | 0.72 | 84% | 0.837 | S | S | * | * | cis | 86.8 | 89.6 | 45.9 | -163.1 | 156.1 | -85.6 | 0 | 0 | 112.6 | K95 | K95-E97 IonicContact NZ-OE1 2.64Å; K95-E97 PolarHBondContact NZ-OE1 2.95Å | ||
| 98 | N | 54.1 | Low | 44.8 | Very low | 163 Ų | 163 | 158.4 Ų | 158.4 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | trans | -154.8 | 132.1 | 145.9 | -150.3 | 3.9 | 0 | 0 | 0 | 109.8 | ||||
| 99 | D | 43.8 | Very low | 44.8 | Very low | 156 Ų | 156 | 162 Ų | 162 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -160.5 | 101.7 | -173.7 | -178.1 | 27.4 | 0 | 0 | 0 | 110.1 | ||||
| 100 | E | 47.1 | Very low | 44.7 | Very low | 178 Ų | 178 | 162.1 Ų | 162.1 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -168.7 | 139 | 172.7 | -108.3 | 171 | -178.9 | 0 | 0 | 106.4 | ||||
| 101 | E | 51.7 | Low | 45 | Very low | 186 Ų | 186 | 160.3 Ų | 160.3 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | cis | -130.9 | 161.6 | 5.1 | -62 | 175.6 | 94.5 | 0 | 0 | 111.5 | ||||
| 102 | Q | 41.1 | Very low | 45.4 | Very low | 171 Ų | 171 | 160.9 Ų | 160.9 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -122.6 | 139 | 164.2 | -83.2 | -163.9 | 11.9 | 0 | 0 | 112.2 | ||||
| 103 | Q | 39.4 | Very low | 46 | Very low | 171 Ų | 171 | 159.3 Ų | 159.3 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | 45 | 114.9 | 147.7 | -58.5 | -178.4 | 23.6 | 0 | 0 | 119.9 | ||||
| 104 | E | 43.7 | Very low | 46.1 | Very low | 211 Ų | 211 | 160.2 Ų | 160.2 | 99% | 0.986 | 80% | 0.804 | S | S | * | * | trans | -151.2 | 150.6 | 142.1 | -124.2 | -178.8 | -143.2 | 0 | 0 | 111.4 | ||||
| 105 | G | 44.8 | Very low | 46.1 | Very low | 85 Ų | 85 | 160.1 Ų | 160.1 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | 114.8 | 88.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 106 | N | 39 | Very low | 46.6 | Very low | 156 Ų | 156 | 156.6 Ų | 156.6 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -135.2 | 114.8 | 169.4 | 170.8 | 43.6 | 0 | 0 | 0 | 111.3 | ||||
| 107 | V | 48.1 | Very low | 46.3 | Very low | 132 Ų | 132 | 154.2 Ų | 154.2 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -153.9 | 109.3 | 172.6 | 179.6 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 108 | E | 44.8 | Very low | 46.5 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | 87.9 | 107.5 | 60.5 | -173.2 | 178.7 | -167.5 | 0 | 0 | 114 | |||||
| 109 | E | 45.9 | Very low | 46.3 | Very low | 176 Ų | 176 | 153.4 Ų | 153.4 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 170.6 | 107.7 | 137.3 | -93.4 | -169.7 | 141.9 | 0 | 0 | 108.4 | ||||
| 110 | T | 43.5 | Very low | 46.5 | Very low | 116 Ų | 116 | 153.5 Ų | 153.5 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | 61.1 | 143.2 | 92 | 73.5 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 111 | K | 47.1 | Very low | 46.6 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 74% | 0.735 | 79% | 0.785 | S | S | * | * | cis | -154.3 | 172.9 | 1.1 | -132.5 | -119.4 | 145.5 | -155 | 0 | 109.1 | E113 | K111-E113 IonicContact NZ-OE2 2.78Å; K111-E113 PolarHBondContact NZ-OE2 3.19Å | ||
| 112 | P | 51.3 | Low | 46.5 | Very low | 93 Ų | 93 | 146.8 Ų | 146.8 | 60% | 0.604 | 78% | 0.776 | S | S | * | * | trans | -125.6 | -156.7 | -158.4 | 40.6 | -23.2 | 0 | 0 | 0 | 115.7 | ||||
| 113 | E | 47.1 | Very low | 46.8 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | trans | 86.3 | 110.3 | 163.8 | -65.7 | 160.1 | 103.9 | 0 | 0 | 118.9 | K111 | K111-E113 IonicContact NZ-OE2 2.78Å; K111-E113 PolarHBondContact NZ-OE2 3.19Å | ||
| 114 | E | 51.2 | Low | 47.4 | Very low | 198 Ų | 198 | 146 Ų | 146 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | -161.2 | 151.1 | 111.9 | -109.6 | -179 | 174.5 | 0 | 0 | 113.1 | |||||
| 115 | Q | 44.7 | Very low | 47.6 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | -153.6 | 177.3 | 177.2 | -118.6 | -160.7 | -46.9 | 0 | 0 | 106.1 | ||||
| 116 | P | 54.3 | Low | 47.6 | Very low | 89 Ų | 89 | 143 Ų | 143 | 58% | 0.578 | 75% | 0.753 | S | S | * | * | cis | -140.4 | -157.7 | 19.4 | 42.9 | -21.4 | 0 | 0 | 0 | 114.3 | ||||
| 117 | D | 47.2 | Very low | 47.8 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | 57.2 | 147 | 149.9 | -64.2 | -8.4 | 0 | 0 | 0 | 121.1 | ||||
| 118 | S | 47.5 | Very low | 48.1 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | cis | 149.9 | 126.8 | -24.1 | 58.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 119 | E | 49 | Very low | 47.9 | Very low | 207 Ų | 207 | 145.3 Ų | 145.3 | 97% | 0.967 | 75% | 0.747 | S | S | * | * | trans | -168.4 | 169.8 | 146.1 | -114.1 | -178.5 | 154.4 | 0 | 0 | 112.4 | ||||
| 120 | D | 47.7 | Very low | 47.6 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | trans | -100.7 | 160.8 | -150.6 | -145 | 34.3 | 0 | 0 | 0 | 114.6 | ||||
| 121 | P | 50 | Low | 47.5 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 63% | 0.63 | 76% | 0.755 | S | S | * | * | trans | -94.6 | 168.4 | -169 | 38 | -35.5 | 0 | 0 | 0 | 114.9 | ||||
| 122 | N | 48.3 | Very low | 47.1 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | trans | -166.2 | 133.1 | 166.7 | -111.1 | -62.2 | 0 | 0 | 0 | 116.3 | ||||
| 123 | K | 48.2 | Very low | 46.9 | Very low | 161 Ų | 161 | 148.9 Ų | 148.9 | 70% | 0.7 | 77% | 0.77 | S | S | * | * | trans | 66.7 | 151.7 | 148.3 | -66.9 | 162.5 | 178.7 | 104.7 | 0 | 117.7 | ||||
| 124 | Q | 51.2 | Low | 46.7 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | cis | -150.8 | 159.9 | -2.1 | -132.1 | 164.2 | -81.3 | 0 | 0 | 113.6 | ||||
| 125 | S | 48.3 | Very low | 46.7 | Very low | 98 Ų | 98 | 147 Ų | 147 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | -64.2 | 157.4 | 178.9 | 54.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 126 | V | 46 | Very low | 47 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | 156.3 | 114.9 | 142.6 | 155.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 127 | K | 42.6 | Very low | 46.4 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | cis | 77.2 | 127.8 | 45.9 | -177 | 167.3 | 177.6 | 162.1 | 0 | 114.8 | E129 | K127-E129 WeakPolarHBondContact CE-OE2 3.47Å; K127-E129 IonicContact NZ-OE2 2.65Å; K127-E129 PolarHBondContact NZ-OE2 2.95Å | ||
| 128 | E | 54 | Low | 46.3 | Very low | 176 Ų | 176 | 151.9 Ų | 151.9 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 135.7 | 99.9 | 159.8 | -168.3 | 152.5 | -126.7 | 0 | 0 | 107.5 | ||||
| 129 | E | 40.8 | Very low | 45.9 | Very low | 155 Ų | 155 | 155.7 Ų | 155.7 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | 55.5 | 116.8 | 73.3 | -75.3 | -177.4 | 106.4 | 0 | 0 | 114 | K127 | K127-E129 WeakPolarHBondContact CE-OE2 3.47Å; K127-E129 IonicContact NZ-OE2 2.65Å; K127-E129 PolarHBondContact NZ-OE2 2.95Å | |||
| 130 | G | 39 | Very low | 45.8 | Very low | 74 Ų | 74 | 152.3 Ų | 152.3 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | trans | 168.3 | 101.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 131 | E | 42.6 | Very low | 45.4 | Very low | 200 Ų | 200 | 153 Ų | 153 | 94% | 0.935 | 77% | 0.772 | S | S | * | * | trans | 58.7 | 131.4 | 148.3 | -66.6 | 179.7 | 119.1 | 0 | 0 | 123.3 | ||||
| 132 | E | 39 | Very low | 45.2 | Very low | 187 Ų | 187 | 157.9 Ų | 157.9 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -75.4 | 157.1 | 160.4 | -56 | 157.9 | 102.3 | 0 | 0 | 111.1 | ||||
| 133 | E | 47.3 | Very low | 45 | Very low | 168 Ų | 168 | 160 Ų | 160 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -144.5 | 128.4 | 143.9 | -104.3 | -131.1 | 121.5 | 0 | 0 | 110.5 | K135 | E133-K135 IonicContact OE1-NZ 2.64Å; E133-K135 PolarHBondContact OE1-NZ 3.5Å; E133-K135 IonicContact OE2-NZ 2.75Å; E133-K135 PolarHBondContact OE2-NZ 3.21Å | ||
| 134 | E | 42.3 | Very low | 44.6 | Very low | 172 Ų | 172 | 158.3 Ų | 158.3 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -60 | 157.9 | 168.5 | -51.5 | 166.8 | 95.8 | 0 | 0 | 111.1 | ||||
| 135 | K | 51 | Low | 44.5 | Very low | 137 Ų | 137 | 159.4 Ų | 159.4 | 60% | 0.596 | 80% | 0.8 | S | S | * | * | -176.2 | 99.3 | 127.2 | -95.4 | 150.7 | -140.4 | 84.2 | 0 | 113.9 | E133 | E133-K135 IonicContact OE1-NZ 2.64Å; E133-K135 PolarHBondContact OE1-NZ 3.5Å; E133-K135 IonicContact OE2-NZ 2.75Å; E133-K135 PolarHBondContact OE2-NZ 3.21Å | |||
| 136 | K | 50.9 | Low | 44.3 | Very low | 175 Ų | 175 | 162.9 Ų | 162.9 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | trans | 60.8 | 115.5 | 132.6 | -58.3 | -167.4 | 175.8 | -158.8 | 0 | 121.4 | ||||
| 137 | E | 41.6 | Very low | 44.2 | Very low | 167 Ų | 167 | 159.4 Ų | 159.4 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | 32.7 | 121.2 | 113 | -57.2 | 168.3 | 129 | 0 | 0 | 118.5 | |||||
| 138 | N | 46.1 | Very low | 44.4 | Very low | 173 Ų | 173 | 155.4 Ų | 155.4 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | -155 | 138.3 | 127.2 | -112.7 | -19.2 | 0 | 0 | 0 | 110.9 | |||||
| 139 | E | 37.7 | Very low | 44 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | -121.2 | 125.6 | -172 | 176.3 | -174.1 | 170.4 | 0 | 0 | 108.4 | ||||
| 140 | V | 47.7 | Very low | 44.1 | Very low | 137 Ų | 137 | 151.3 Ų | 151.3 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -146.9 | 112 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 141 | E | 38.4 | Very low | 44.2 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -77 | 153.2 | 160.6 | -56.9 | 170.5 | 101.1 | 0 | 0 | 110.9 | ||||
| 142 | E | 45.6 | Very low | 44.1 | Very low | 199 Ų | 199 | 149.7 Ų | 149.7 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | trans | -164.2 | 147.4 | 131.6 | -86.1 | -140.8 | 128.9 | 0 | 0 | 110.1 | ||||
| 143 | E | 45.2 | Very low | 44.5 | Very low | 170 Ų | 170 | 149 Ų | 149 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -87.1 | 147.7 | -172.7 | -56.8 | 175.1 | 103.7 | 0 | 0 | 114.9 | ||||
| 144 | P | 38.5 | Very low | 44.3 | Very low | 126 Ų | 126 | 148 Ų | 148 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -90.9 | 160.4 | 162.7 | 36.6 | -32.7 | 0 | 0 | 0 | 113 | ||||
| 145 | K | 49.4 | Very low | 44.5 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -125.8 | 150.2 | 179.1 | -83.2 | 173.9 | 176.8 | 147 | 0 | 115.2 | ||||
| 146 | E | 43.7 | Very low | 44.1 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -67.7 | 167.6 | -170.5 | -60.3 | -178.9 | 123.7 | 0 | 0 | 117 | ||||
| 147 | T | 44.3 | Very low | 43.9 | Very low | 61 Ų | 61 | 144 Ų | 144 | 37% | 0.374 | 75% | 0.751 | S | S | . | * | cis | -159.8 | -69.6 | -29.8 | 35.4 | 0 | 0 | 0 | 0 | 115.7 | M284 | T147-M284 HydrophobicContact CG2-CE 4.41Š| ||
| 148 | P | 47.2 | Very low | 44 | Very low | 81 Ų | 81 | 143.7 Ų | 143.7 | 53% | 0.526 | 75% | 0.749 | S | S | . | * | -124.9 | 172 | -111.2 | 40.5 | -32.6 | 0 | 0 | 0 | 121.6 | M284 | P148-M284 HydrophobicContact CB-CE 3.58Å; P148-M284 HydrophobicContact CB-SD 4.05Å | |||
| 149 | T | 45.1 | Very low | 43.9 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | 89.6 | 148.4 | 149.9 | 42.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 150 | P | 42.9 | Very low | 44.6 | Very low | 124 Ų | 124 | 146 Ų | 146 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | trans | -138.9 | -174 | -138.2 | 45.3 | -27 | 0 | 0 | 0 | 117.9 | ||||
| 151 | A | 42.2 | Very low | 44.1 | Very low | 100 Ų | 100 | 148 Ų | 148 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | -156.2 | 118.9 | 165 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 152 | N | 40.2 | Very low | 44.9 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | -0.6 | 134.1 | 148.9 | 176.1 | 89.6 | 0 | 0 | 0 | 124.1 | ||||
| 153 | E | 46.9 | Very low | 44.7 | Very low | 172 Ų | 172 | 145 Ų | 145 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -161.8 | 128.8 | 138.8 | -104 | 169.1 | -172.3 | 0 | 0 | 108.3 | ||||
| 154 | Q | 43.7 | Very low | 45 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | 54.2 | 137.8 | 90.6 | -63.3 | -157.1 | -107.1 | 0 | 0 | 115.9 | |||||
| 155 | N | 45.7 | Very low | 45.4 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 55% | 0.551 | 74% | 0.744 | S | S | * | * | cis | -161 | -178.9 | -1 | -115.6 | 23.2 | 0 | 0 | 0 | 109.1 | ||||
| 156 | E | 44.3 | Very low | 45.7 | Very low | 157 Ų | 157 | 144.5 Ų | 144.5 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | cis | -137.3 | -107.4 | 10.6 | -167.8 | 86.5 | -121.4 | 0 | 0 | 111.4 | ||||
| 157 | E | 45.9 | Very low | 46 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 66% | 0.659 | 74% | 0.736 | S | S | * | * | cis | -151.5 | -137.6 | -0.4 | -135.7 | -77 | 137.1 | 0 | 0 | 110.9 | ||||
| 158 | Q | 42.9 | Very low | 46.4 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -98.9 | 142.5 | -169.2 | -62.4 | 161.1 | 37.4 | 0 | 0 | 115.2 | ||||
| 159 | K | 44.7 | Very low | 46.3 | Very low | 198 Ų | 198 | 150 Ų | 150 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | cis | 89.5 | 100.4 | 12 | -162.8 | -153.5 | 175.3 | -172.2 | 0 | 118.5 | ||||
| 160 | E | 51.9 | Low | 46.7 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -158.9 | 151.1 | 137.9 | -137.2 | 169.3 | -157.6 | 0 | 0 | 113.4 | ||||
| 161 | E | 37.7 | Very low | 47 | Very low | 179 Ų | 179 | 152.3 Ų | 152.3 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -157.9 | 139.7 | -178.9 | 174.8 | -176.2 | -136.2 | 0 | 0 | 109 | ||||
| 162 | P | 55.1 | Low | 47.1 | Very low | 121 Ų | 121 | 157 Ų | 157 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -131.3 | 121.7 | 166.8 | 35 | -19 | 0 | 0 | 0 | 114.9 | ||||
| 163 | E | 42.2 | Very low | 47.8 | Very low | 187 Ų | 187 | 158 Ų | 158 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -64.9 | 154.6 | 152.4 | -69.8 | -177.6 | 102.9 | 0 | 0 | 110.6 | ||||
| 164 | N | 49.7 | Very low | 47.7 | Very low | 151 Ų | 151 | 155.2 Ų | 155.2 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -150.2 | 106 | 161.5 | -158.8 | 23.4 | 0 | 0 | 0 | 111.6 | ||||
| 165 | E | 47.9 | Very low | 48.2 | Very low | 153 Ų | 153 | 151.7 Ų | 151.7 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | trans | -80 | 128.4 | 165.4 | -73.8 | -161.5 | 123.9 | 0 | 0 | 110 | K167 | E165-K167 IonicContact OE1-NZ 2.72Å; E165-K167 PolarHBondContact OE1-NZ 2.97Å; E165-K167 IonicContact OE2-NZ 2.7Å; E165-K167 PolarHBondContact OE2-NZ 3.08Å | ||
| 166 | E | 56.2 | Low | 48.3 | Very low | 170 Ų | 170 | 155.2 Ų | 155.2 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -115.8 | 115 | 161.1 | -163.3 | 174.4 | 147.8 | 0 | 0 | 110.6 | ||||
| 167 | K | 50.1 | Low | 48.5 | Very low | 153 Ų | 153 | 154 Ų | 154 | 67% | 0.665 | 79% | 0.788 | S | S | * | * | trans | -110.7 | 120.8 | 171 | -68.7 | -177.9 | -179.7 | 64.8 | 0 | 109.2 | E165 | E165-K167 IonicContact OE1-NZ 2.72Å; E165-K167 PolarHBondContact OE1-NZ 2.97Å; E165-K167 IonicContact OE2-NZ 2.7Å; E165-K167 PolarHBondContact OE2-NZ 3.08Å | ||
| 168 | T | 51.3 | Low | 48.4 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -135.3 | 144 | 159.6 | -40.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 169 | D | 45.8 | Very low | 48.4 | Very low | 147 Ų | 147 | 153.8 Ų | 153.8 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -126.2 | 119 | -166.9 | 168.2 | 21.3 | 0 | 0 | 0 | 109.2 | ||||
| 170 | E | 53.4 | Low | 48.5 | Very low | 175 Ų | 175 | 151.9 Ų | 151.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -136.4 | 105.4 | 167 | -77.7 | -145.3 | 120.4 | 0 | 0 | 113.1 | ||||
| 171 | T | 48.7 | Very low | 48.5 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | 75.8 | 132.9 | 125.8 | -54.1 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 172 | K | 45.7 | Very low | 49 | Very low | 198 Ų | 198 | 145.7 Ų | 145.7 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -91.8 | 149.2 | 179.2 | -52 | 161.5 | -174.7 | 169.9 | 0 | 111.1 | ||||
| 173 | D | 54.3 | Low | 48.6 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -145.8 | 167.6 | 138.8 | -155.1 | -3.3 | 0 | 0 | 0 | 110.4 | ||||
| 174 | S | 44.6 | Very low | 49 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -151.6 | 117 | -167.3 | 59.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 175 | G | 55.1 | Low | 48.8 | Very low | 73 Ų | 73 | 147.3 Ų | 147.3 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | -170.7 | 136.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 176 | K | 46 | Very low | 48.8 | Very low | 176 Ų | 176 | 149 Ų | 149 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | cis | 81.1 | 83.5 | 23.4 | -157.4 | -122.2 | 170 | -142.8 | 0 | 115.3 | ||||
| 177 | D | 49.1 | Very low | 48.4 | Very low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 177.3 | 172.7 | 144.7 | -86.6 | -11.3 | 0 | 0 | 0 | 106.7 | ||||
| 178 | E | 43.8 | Very low | 48.6 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | -161.1 | 148.3 | -57.8 | -137.3 | -171.1 | -131.2 | 0 | 0 | 107.9 | |||||
| 179 | Q | 43.9 | Very low | 48.4 | Very low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 66.6 | 162.3 | 167.4 | -50.3 | 173.9 | 30.4 | 0 | 0 | 116.4 | ||||
| 180 | E | 47.1 | Very low | 48.8 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | cis | -129.1 | 157.8 | -0.2 | -74.3 | -174.2 | 107.4 | 0 | 0 | 112 | ||||
| 181 | P | 50.3 | Low | 48.5 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -118 | 105.8 | 160.1 | 35 | -21.2 | 0 | 0 | 0 | 112.2 | ||||
| 182 | T | 49 | Very low | 48.6 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -90.7 | 117.9 | -173.8 | -40.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 183 | K | 46.6 | Very low | 48.6 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | trans | -86.2 | 140.2 | 156.9 | -87.3 | -177.1 | 151.8 | -154 | 0 | 109 | E185 | K183-E185 IonicContact NZ-OE2 2.59Å; K183-E185 PolarHBondContact NZ-OE2 3.11Å | ||
| 184 | E | 50.8 | Low | 48.2 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | trans | -108.8 | 130.8 | 147.4 | -73.8 | -171.6 | 140 | 0 | 0 | 109.1 | ||||
| 185 | E | 45.8 | Very low | 48.8 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 66% | 0.659 | 77% | 0.769 | S | S | * | * | trans | -140 | 67.1 | -179.4 | -172.2 | -179.9 | 143.7 | 0 | 0 | 107.1 | K183 S187 | K183-E185 IonicContact NZ-OE2 2.59Å; K183-E185 PolarHBondContact NZ-OE2 3.11Å; E185-S187 PolarHBondContact O-N 3.49Å | ||
| 186 | E | 47.7 | Very low | 48.4 | Very low | 189 Ų | 189 | 154.6 Ų | 154.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -87.2 | 110.3 | 178.6 | -167.6 | 164.1 | -132 | 0 | 0 | 110.2 | ||||
| 187 | S | 46.9 | Very low | 48.6 | Very low | 105 Ų | 105 | 149.8 Ų | 149.8 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -126.2 | 83.4 | 178.2 | 46.6 | 0 | 0 | 0 | 0 | 110.1 | E185 | E185-S187 PolarHBondContact O-N 3.49Š| ||
| 188 | E | 54.4 | Low | 48.6 | Very low | 186 Ų | 186 | 149.9 Ų | 149.9 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | -99.3 | 143.7 | 167.3 | -168.6 | 155.6 | -138.7 | 0 | 0 | 112.1 | ||||
| 189 | K | 47.5 | Very low | 48.9 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | -106.9 | 106.7 | -163 | 176.7 | -154.2 | 172.6 | -150.3 | 0 | 109.9 | E191 | K189-E191 VanDerWaalsContact CE-OE2 3.25Å; K189-E191 WeakPolarHBondContact CE-OE2 3.3Å; K189-E191 IonicContact NZ-OE2 2.62Å; K189-E191 PolarHBondContact NZ-OE2 3.3Å | ||
| 190 | L | 54.6 | Low | 49.7 | Very low | 182 Ų | 182 | 147.2 Ų | 147.2 | 95% | 0.953 | 78% | 0.779 | S | S | * | * | trans | -110.7 | 126.1 | 163.1 | -91.3 | 169.5 | 0 | 0 | 0 | 111.7 | ||||
| 191 | E | 46 | Very low | 50 | Low | 123 Ų | 123 | 147.9 Ų | 147.9 | 58% | 0.575 | 78% | 0.782 | S | S | * | * | trans | -112.2 | 124.3 | -166.8 | 171.6 | -179.2 | 158.2 | 0 | 0 | 108.3 | K189 | K189-E191 VanDerWaalsContact CE-OE2 3.25Å; K189-E191 WeakPolarHBondContact CE-OE2 3.3Å; K189-E191 IonicContact NZ-OE2 2.62Å; K189-E191 PolarHBondContact NZ-OE2 3.3Å | ||
| 192 | N | 51.4 | Low | 50.3 | Low | 156 Ų | 156 | 147.3 Ų | 147.3 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -171 | 160.4 | 145.9 | -99.2 | -58.7 | 0 | 0 | 0 | 110.8 | ||||
| 193 | N | 46 | Very low | 50.5 | Low | 128 Ų | 128 | 150.7 Ų | 150.7 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | trans | -105.6 | 172.8 | -162 | -53.6 | -83.9 | 0 | 0 | 0 | 113.7 | ||||
| 194 | D | 45.6 | Very low | 50.8 | Low | 154 Ų | 154 | 150.8 Ų | 150.8 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 54.1 | 112.5 | 151.2 | -58.5 | -41.4 | 0 | 0 | 0 | 119.1 | ||||
| 195 | E | 56.5 | Low | 51 | Low | 202 Ų | 202 | 148 Ų | 148 | 94% | 0.944 | 79% | 0.787 | S | S | * | * | -148.6 | 176.6 | 109.6 | -125.6 | 174.7 | -164.3 | 0 | 0 | 112 | |||||
| 196 | D | 46.7 | Very low | 51.2 | Low | 162 Ų | 162 | 147.5 Ų | 147.5 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -77.3 | 173.2 | -143.1 | -136.7 | -42.3 | 0 | 0 | 0 | 117.8 | ||||
| 197 | A | 50.8 | Low | 51 | Low | 75 Ų | 75 | 142 Ų | 142 | 62% | 0.62 | 79% | 0.789 | S | S | * | * | trans | -64.5 | 154.8 | -174 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 198 | T | 49.8 | Very low | 51.4 | Low | 134 Ų | 134 | 145.2 Ų | 145.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | -160.4 | 125.1 | 115.8 | -73.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 199 | T | 49.6 | Very low | 51.4 | Low | 124 Ų | 124 | 143.5 Ų | 143.5 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 126 | 171.1 | -53.2 | 0 | 0 | 0 | 0 | 109.8 | E201 | T199-E201 PolarHBondContact O-N 3.21Š|
| 200 | P | 61.7 | Low | 52.1 | Low | 115 Ų | 115 | 138.9 Ų | 138.9 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 116.9 | 166 | 28.5 | -31.7 | 0 | 0 | 0 | 109.2 | ||
| 201 | E | 53.4 | Low | 52.6 | Low | 172 Ų | 172 | 134 Ų | 134 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 134.2 | 172.4 | -170.2 | 169.2 | -153.1 | 0 | 0 | 109.4 | T199 Q203 | T199-E201 PolarHBondContact O-N 3.21Å; E201-Q203 PolarHBondContact O-N 2.95Å |
| 202 | P | 55.8 | Low | 53.4 | Low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | -68.8 | 105.1 | -177.8 | 27.5 | -33.9 | 0 | 0 | 0 | 109.9 | E204 | P202-E204 PolarHBondContact O-N 3.44Š| ||
| 203 | Q | 54.1 | Low | 54 | Low | 188 Ų | 188 | 134.3 Ų | 134.3 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | -63.5 | 119.8 | 174.1 | -71.1 | -171.2 | -45 | 0 | 0 | 110.1 | E201 | E201-Q203 PolarHBondContact O-N 2.95Š| ||
| 204 | E | 52.3 | Low | 54.8 | Low | 165 Ų | 165 | 133.7 Ų | 133.7 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | trans | -61.6 | 133.9 | 167.3 | -63.5 | -172.7 | 133.2 | 0 | 0 | 109.3 | P202 T206 | P202-E204 PolarHBondContact O-N 3.44Å; E204-T206 PolarHBondContact O-N 3.45Å; E204-T206 PolarHBondContact O-OG1 3.06Å | ||
| 205 | P | 55.8 | Low | 55.7 | Low | 131 Ų | 131 | 132 Ų | 132 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | trans | -68.8 | 84.4 | 173.1 | 29.2 | -33.9 | 0 | 0 | 0 | 109.4 | G207 | P205-G207 PolarHBondContact O-N 3.11Š| ||
| 206 | T | 48.4 | Very low | 56.1 | Low | 130 Ų | 130 | 127.6 Ų | 127.6 | 80% | 0.798 | 72% | 0.724 | S | S | * | * | trans | -68.8 | 96.7 | -178.7 | -58.1 | 0 | 0 | 0 | 0 | 108.4 | E204 | E204-T206 PolarHBondContact O-N 3.45Å; E204-T206 PolarHBondContact O-OG1 3.06Å | ||
| 207 | G | 44.1 | Very low | 56.9 | Low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | -76.6 | 129.1 | -160.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P205 | P205-G207 PolarHBondContact O-N 3.11Š| ||
| 208 | E | 55 | Low | 57.8 | Low | 171 Ų | 171 | 129.1 Ų | 129.1 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | trans | -140.3 | 16.7 | 165.8 | -143.1 | -171.8 | 163.1 | 0 | 0 | 114.2 | ||||
| 209 | E | 55 | Low | 58.8 | Low | 151 Ų | 151 | 129.7 Ų | 129.7 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | trans | -99.1 | -20.4 | -177.8 | -59.1 | -154.3 | 114 | 0 | 0 | 114.7 | P211 K212 | E209-P211 WeakPolarHBondContact O-CD 3.49Å; E209-P211 VanDerWaalsContact O-N 3.11Å; E209-K212 PolarHBondContact O-N 3.21Å; E209-K212 VanDerWaalsContact O-N 3.11Å | ||
| 210 | G | 61.8 | Low | 59.8 | Low | 62 Ų | 62 | 130.3 Ų | 130.3 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -49 | -34.9 | -177 | 0 | 0 | 0 | 0 | 0 | 118.2 | K212 | G210-K212 PolarHBondContact O-N 3.44Å |
| 211 | P | 64.6 | Low | 60.2 | Low | 78 Ų | 78 | 129 Ų | 129 | 51% | 0.506 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -77.5 | -17.1 | -178.8 | 29.5 | -35 | 0 | 0 | 0 | 114.2 | E209 L215 | E209-P211 WeakPolarHBondContact O-CD 3.49Å; E209-P211 VanDerWaalsContact O-N 3.11Å; P211-L215 WeakPolarHBondContact O-CD1 3.42Å; P211-L215 VanDerWaalsContact O-CG 3.28Å; P211-L215 WeakPolarHBondContact O-CG 3.36Å; P211-L215 PolarHBondContact O-N 3.16Å |
| 212 | K | 64.2 | Low | 60.5 | Low | 131 Ų | 131 | 127.4 Ų | 127.4 | 57% | 0.57 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -79.7 | -46.4 | -172.1 | -68.7 | 174.3 | -172.7 | 158.6 | 0 | 112.6 | E209 G210 L214 L215 L216 | E209-K212 PolarHBondContact O-N 3.21Å; E209-K212 VanDerWaalsContact O-N 3.11Å; G210-K212 PolarHBondContact O-N 3.44Å; K212-L214 VanDerWaalsContact C-N 3.35Å; K212-L215 PolarHBondContact O-N 2.6Å; K212-L216 PolarHBondContact O-N 2.9Å |
| 213 | E | 62.5 | Low | 61.6 | Low | 156 Ų | 156 | 128.4 Ų | 128.4 | 73% | 0.729 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.2 | -40.7 | 176.3 | -65.7 | -163 | 129.4 | 0 | 0 | 111.7 | L215 L216 Y217 | E213-L215 VanDerWaalsContact C-N 3.27Å; E213-L215 PolarHBondContact O-N 3.09Å; E213-L216 WeakPolarHBondContact O-CB 3.48Å; E213-L216 PolarHBondContact O-N 3.24Å; E213-L216 VanDerWaalsContact O-N 3.09Å; E213-Y217 WeakPolarHBondContact O-CB 3.45Å; E213-Y217 PolarHBondContact O-N 3.37Å |
| 214 | L | 63.2 | Low | 62.9 | Low | 114 Ų | 114 | 122.8 Ų | 122.8 | 60% | 0.597 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.6 | -35.5 | 177 | -161.2 | 76.4 | 0 | 0 | 0 | 112.3 | K212 K218 | K212-L214 VanDerWaalsContact C-N 3.35Å; L214-K218 PolarHBondContact O-N 3.43Å; L214-K218 VanDerWaalsContact O-N 3.08Å |
| 215 | L | 63.7 | Low | 64.3 | Low | 120 Ų | 120 | 122.1 Ų | 122.1 | 63% | 0.628 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.8 | -35.9 | 173.3 | -76.1 | 171 | 0 | 0 | 0 | 112.7 | P211 K212 E213 K219 | P211-L215 WeakPolarHBondContact O-CD1 3.42Å; P211-L215 VanDerWaalsContact O-CG 3.28Å; P211-L215 WeakPolarHBondContact O-CG 3.36Å; P211-L215 PolarHBondContact O-N 3.16Å; K212-L215 PolarHBondContact O-N 2.6Å; E213-L215 VanDerWaalsContact C-N 3.27Å; E213-L215 PolarHBondContact O-N 3.09Å; L215-K219 WeakPolarHBondContact O-CB 3.48Å; L215-K219 PolarHBondContact O-N 3.37Å |
| 216 | L | 66.8 | Low | 65.7 | Low | 109 Ų | 109 | 125.4 Ų | 125.4 | 57% | 0.571 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.5 | -41.7 | 172.6 | -77.2 | 167.4 | 0 | 0 | 0 | 111.6 | K212 E213 K219 K220 | K212-L216 PolarHBondContact O-N 2.9Å; E213-L216 WeakPolarHBondContact O-CB 3.48Å; E213-L216 PolarHBondContact O-N 3.24Å; E213-L216 VanDerWaalsContact O-N 3.09Å; L216-K219 PolarHBondContact O-N 3.37Å; L216-K220 PolarHBondContact O-N 3.05Å |
| 217 | Y | 63.5 | Low | 67.5 | Low | 152 Ų | 152 | 127.7 Ų | 127.7 | 60% | 0.596 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -60.1 | -54.8 | 175.9 | -162.5 | -92.9 | 0 | 0 | 0 | 110.8 | E213 K219 K220 E221 | E213-Y217 WeakPolarHBondContact O-CB 3.45Å; E213-Y217 PolarHBondContact O-N 3.37Å; Y217-K219 PolarHBondContact O-N 3.31Å; Y217-K220 WeakPolarHBondContact O-CA 3.28Å; Y217-K220 WeakPolarHBondContact O-CB 3.43Å; Y217-K220 PolarHBondContact O-N 3.2Å; Y217-E221 HydrophobicContact CD1-CG 4.12Å; Y217-E221 HydrophobicContact CE1-CG 4.07Å; Y217-E221 VanDerWaalsContact CE1-OE1 3.26Å; Y217-E221 WeakPolarHBondContact CE1-OE1 3.29Å; Y217-E221 PolarHBondContact O-N 2.96Å |
| 218 | K | 68.1 | Low | 69.4 | Low | 116 Ų | 116 | 129.6 Ų | 129.6 | 50% | 0.504 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -58.7 | -31.8 | 174.9 | -73.7 | -166.7 | 171.4 | -167.2 | 0 | 113.7 | L214 E221 M222 | L214-K218 PolarHBondContact O-N 3.43Å; L214-K218 VanDerWaalsContact O-N 3.08Å; K218-E221 WeakPolarHBondContact CA-OE2 3.43Å; K218-E221 WeakPolarHBondContact CG-OE2 3.47Å; K218-M222 WeakPolarHBondContact O-CB 3.49Å; K218-M222 WeakPolarHBondContact O-CG 3.24Å; K218-M222 PolarHBondContact O-N 2.85Å |
| 219 | K | 70.4 | Confident | 71.1 | Confident | 146 Ų | 146 | 127.3 Ų | 127.3 | 64% | 0.635 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.5 | -25 | 175.4 | -168.7 | 177 | 180 | -174.4 | 0 | 113 | L215 L216 Y217 | L215-K219 WeakPolarHBondContact O-CB 3.48Å; L215-K219 PolarHBondContact O-N 3.37Å; L216-K219 PolarHBondContact O-N 3.37Å; Y217-K219 PolarHBondContact O-N 3.31Å |
| 220 | K | 70.9 | Confident | 72.8 | Confident | 137 Ų | 137 | 122.9 Ų | 122.9 | 60% | 0.596 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -74.1 | -47 | 167.2 | -72.8 | -170.1 | 175.8 | -168.8 | 0 | 110.8 | L216 Y217 M222 K223 S224 | L216-K220 PolarHBondContact O-N 3.05Å; Y217-K220 WeakPolarHBondContact O-CA 3.28Å; Y217-K220 WeakPolarHBondContact O-CB 3.43Å; Y217-K220 PolarHBondContact O-N 3.2Å; K220-M222 PolarHBondContact O-N 3.26Å; K220-K223 WeakPolarHBondContact O-CB 3.44Å; K220-K223 PolarHBondContact O-N 2.93Å; K220-S224 PolarHBondContact O-N 2.94Å; K220-S224 VanDerWaalsContact O-N 3.09Å |
| 221 | E | 71.2 | Confident | 74.1 | Confident | 89 Ų | 89 | 123.4 Ų | 123.4 | 42% | 0.416 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -56.9 | -44.5 | 176.8 | -65.5 | 175.7 | 132.9 | 0 | 0 | 112.8 | Y217 K218 K223 S224 Y225 | Y217-E221 HydrophobicContact CD1-CG 4.12Å; Y217-E221 HydrophobicContact CE1-CG 4.07Å; Y217-E221 VanDerWaalsContact CE1-OE1 3.26Å; Y217-E221 WeakPolarHBondContact CE1-OE1 3.29Å; Y217-E221 PolarHBondContact O-N 2.96Å; K218-E221 WeakPolarHBondContact CA-OE2 3.43Å; K218-E221 WeakPolarHBondContact CG-OE2 3.47Å; E221-K223 PolarHBondContact O-N 2.87Å; E221-S224 PolarHBondContact O-N 2.79Å; E221-S224 PolarHBondContact O-OG 3.29Å; E221-Y225 PolarHBondContact O-N 3Å |
| 222 | M | 59.9 | Low | 75.3 | Confident | 138 Ų | 138 | 125.9 Ų | 125.9 | 68% | 0.68 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.7 | -16.5 | 176.9 | -73.9 | -171.5 | -177.7 | 0 | 0 | 114.2 | K218 K220 R226 | K218-M222 WeakPolarHBondContact O-CB 3.49Å; K218-M222 WeakPolarHBondContact O-CG 3.24Å; K218-M222 PolarHBondContact O-N 2.85Å; K220-M222 PolarHBondContact O-N 3.26Å; M222-R226 WeakPolarHBondContact O-CG 3.45Å |
| 223 | K | 77.5 | Confident | 76.7 | Confident | 137 Ų | 137 | 124.4 Ų | 124.4 | 60% | 0.596 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -81.6 | -53.2 | 168.7 | -73.7 | -177.7 | 174.3 | -171.2 | 0 | 110.5 | K220 E221 Y225 R226 Y227 | K220-K223 WeakPolarHBondContact O-CB 3.44Å; K220-K223 PolarHBondContact O-N 2.93Å; E221-K223 PolarHBondContact O-N 2.87Å; K223-Y225 VanDerWaalsContact C-N 3.29Å; K223-Y225 PolarHBondContact O-N 3.05Å; K223-R226 WeakPolarHBondContact O-CB 3.48Å; K223-R226 PolarHBondContact O-N 3.06Å; K223-Y227 VanDerWaalsContact O-CD2 3.29Å; K223-Y227 WeakPolarHBondContact O-CD2 3.44Å; K223-Y227 PolarHBondContact O-N 2.83Å |
| 224 | S | 82.4 | Confident | 78 | Confident | 70 Ų | 70 | 119.8 Ų | 119.8 | 49% | 0.49 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.9 | -41 | -176.9 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | K220 E221 R226 Y227 W228 | K220-S224 PolarHBondContact O-N 2.94Å; K220-S224 VanDerWaalsContact O-N 3.09Å; E221-S224 PolarHBondContact O-N 2.79Å; E221-S224 PolarHBondContact O-OG 3.29Å; S224-R226 VanDerWaalsContact C-N 3.28Å; S224-R226 PolarHBondContact O-N 3.36Å; S224-Y227 PolarHBondContact O-N 3.22Å; S224-W228 WeakPolarHBondContact O-CB 3.45Å; S224-W228 PolarHBondContact O-N 3.23Å |
| 225 | Y | 81.6 | Confident | 79.2 | Confident | 152 Ų | 152 | 115.6 Ų | 115.6 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61 | -32.2 | 176.4 | -172.2 | -111.9 | 0 | 0 | 0 | 113.9 | E221 K223 K229 | E221-Y225 PolarHBondContact O-N 3Å; K223-Y225 VanDerWaalsContact C-N 3.29Å; K223-Y225 PolarHBondContact O-N 3.05Å; Y225-K229 WeakPolarHBondContact O-CB 3.47Å; Y225-K229 PolarHBondContact O-N 3.23Å |
| 226 | R | 84.1 | Confident | 80.5 | Confident | 199 Ų | 199 | 115.7 Ų | 115.7 | 75% | 0.751 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -71 | -43 | 175.2 | -71.9 | -177.9 | 179.1 | -153.1 | -0.6 | 112 | M222 K223 S224 A230 | M222-R226 WeakPolarHBondContact O-CG 3.45Å; K223-R226 WeakPolarHBondContact O-CB 3.48Å; K223-R226 PolarHBondContact O-N 3.06Å; S224-R226 VanDerWaalsContact C-N 3.28Å; S224-R226 PolarHBondContact O-N 3.36Å; R226-A230 WeakPolarHBondContact O-CB 3.34Å; R226-A230 PolarHBondContact O-N 3.19Å |
| 227 | Y | 86.1 | Confident | 81.7 | Confident | 178 Ų | 178 | 115.7 Ų | 115.7 | 70% | 0.698 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.3 | -42.9 | 174.6 | -72.5 | -76 | 0 | 0 | 0 | 111.3 | K223 S224 K229 A230 F231 | K223-Y227 VanDerWaalsContact O-CD2 3.29Å; K223-Y227 WeakPolarHBondContact O-CD2 3.44Å; K223-Y227 PolarHBondContact O-N 2.83Å; S224-Y227 PolarHBondContact O-N 3.22Å; Y227-K229 PolarHBondContact O-N 2.97Å; Y227-A230 PolarHBondContact O-N 2.82Å; Y227-F231 WeakPolarHBondContact O-CB 3.49Å; Y227-F231 PolarHBondContact O-N 3.25Å |
| 228 | W | 85.4 | Confident | 82.9 | Confident | 116 Ų | 116 | 109.9 Ų | 109.9 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 176.6 | -167.1 | -107.5 | 0 | 0 | 0 | 112.3 | S224 A230 F231 Y232 I465 | S224-W228 WeakPolarHBondContact O-CB 3.45Å; S224-W228 PolarHBondContact O-N 3.23Å; W228-A230 PolarHBondContact O-N 3.33Å; W228-F231 PolarHBondContact O-N 3.09Å; W228-Y232 HydrophobicContact CD2-CD2 4.36Å; W228-Y232 HydrophobicContact CD2-CE2 4.28Å; W228-Y232 AromaticContact CE2-CD2 3.97Å; W228-Y232 AromaticContact CE2-CE2 3.49Å; W228-Y232 VanDerWaalsContact CE2-CE2 3.49Å; W228-Y232 HydrophobicContact CG-CD2 4.48Å; W228-Y232 HydrophobicContact CH2-CE2 4.42Å; W228-Y232 HydrophobicContact CZ2-CD2 4.44Å; W228-Y232 AromaticContact CZ2-CE2 3.59Å; W228-Y232 HydrophobicContact CZ2-CE2 3.59Å; W228-Y232 AromaticContact NE1-CD2 3.76Å; W228-Y232 AromaticContact NE1-CE2 3.44Å; W228-Y232 PolarHBondContact O-N 2.97Å; W228-I465 HydrophobicContact CZ3-CG2 4.47Å |
| 229 | K | 90.3 | Very high | 83.7 | Confident | 123 Ų | 123 | 109 Ų | 109 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 175.8 | -175.2 | 160.8 | -176.2 | 160.5 | 0 | 112.8 | Y225 Y227 L233 | Y225-K229 WeakPolarHBondContact O-CB 3.47Å; Y225-K229 PolarHBondContact O-N 3.23Å; Y227-K229 PolarHBondContact O-N 2.97Å; K229-L233 HydrophobicContact CG-CD1 4.37Å; K229-L233 WeakPolarHBondContact O-CG 3.47Å; K229-L233 PolarHBondContact O-N 2.94Å; K229-L233 VanDerWaalsContact O-N 3.1Å |
| 230 | A | 90.6 | Very high | 84.5 | Confident | 58 Ų | 58 | 106.4 Ų | 106.4 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68 | -39.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | R226 Y227 W228 L233 F234 | R226-A230 WeakPolarHBondContact O-CB 3.34Å; R226-A230 PolarHBondContact O-N 3.19Å; Y227-A230 PolarHBondContact O-N 2.82Å; W228-A230 PolarHBondContact O-N 3.33Å; A230-L233 PolarHBondContact O-N 2.95Å; A230-F234 WeakPolarHBondContact O-CB 3.38Å; A230-F234 PolarHBondContact O-N 3.29Å |
| 231 | F | 88.7 | Confident | 85.1 | Confident | 72 Ų | 72 | 101.9 Ų | 101.9 | 32% | 0.316 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 175.1 | 179.9 | -100.7 | 0 | 0 | 0 | 111.6 | Y227 W228 L233 F234 I235 M462 | Y227-F231 WeakPolarHBondContact O-CB 3.49Å; Y227-F231 PolarHBondContact O-N 3.25Å; W228-F231 PolarHBondContact O-N 3.09Å; F231-L233 PolarHBondContact O-N 2.99Å; F231-F234 WeakPolarHBondContact O-CB 3.26Å; F231-F234 PolarHBondContact O-N 3.29Å; F231-F234 VanDerWaalsContact O-N 3.12Å; F231-I235 HydrophobicContact CD1-CG1 4.23Å; F231-I235 HydrophobicContact CE1-CD1 4.42Å; F231-I235 HydrophobicContact CE1-CG1 3.85Å; F231-I235 HydrophobicContact CE2-CD1 4.19Å; F231-I235 HydrophobicContact CE2-CG1 4.24Å; F231-I235 HydrophobicContact CZ-CD1 3.93Å; F231-I235 HydrophobicContact CZ-CG1 3.86Å; F231-I235 WeakPolarHBondContact O-CG1 3.46Å; F231-I235 PolarHBondContact O-N 3.03Å; F231-M462 HydrophobicContact CE1-CG 4.4Å; F231-M462 HydrophobicContact CE1-SD 4.04Å; F231-M462 HydrophobicContact CZ-CG 4.45Å; F231-M462 HydrophobicContact CZ-SD 4.31Å |
| 232 | Y | 90.3 | Very high | 85.5 | Confident | 131 Ų | 131 | 102.6 Ų | 102.6 | 51% | 0.514 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 173.9 | -101.3 | -103.1 | 0 | 0 | 0 | 112.5 | W228 F234 I235 M236 | W228-Y232 HydrophobicContact CD2-CD2 4.36Å; W228-Y232 HydrophobicContact CD2-CE2 4.28Å; W228-Y232 AromaticContact CE2-CD2 3.97Å; W228-Y232 AromaticContact CE2-CE2 3.49Å; W228-Y232 VanDerWaalsContact CE2-CE2 3.49Å; W228-Y232 HydrophobicContact CG-CD2 4.48Å; W228-Y232 HydrophobicContact CH2-CE2 4.42Å; W228-Y232 HydrophobicContact CZ2-CD2 4.44Å; W228-Y232 AromaticContact CZ2-CE2 3.59Å; W228-Y232 HydrophobicContact CZ2-CE2 3.59Å; W228-Y232 AromaticContact NE1-CD2 3.76Å; W228-Y232 AromaticContact NE1-CE2 3.44Å; W228-Y232 PolarHBondContact O-N 2.97Å; Y232-F234 VanDerWaalsContact C-N 3.32Å; Y232-F234 PolarHBondContact O-N 3.08Å; Y232-I235 PolarHBondContact O-N 3.47Å; Y232-M236 WeakPolarHBondContact O-CB 3.43Å; Y232-M236 VanDerWaalsContact O-CG 3.27Å; Y232-M236 WeakPolarHBondContact O-CG 3.47Å; Y232-M236 PolarHBondContact O-N 3.43Å |
| 233 | L | 93.4 | Very high | 86.5 | Confident | 100 Ų | 100 | 102.8 Ų | 102.8 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 174.4 | -81 | 162.1 | 0 | 0 | 0 | 112.1 | K229 A230 F231 I237 | K229-L233 HydrophobicContact CG-CD1 4.37Å; K229-L233 WeakPolarHBondContact O-CG 3.47Å; K229-L233 PolarHBondContact O-N 2.94Å; K229-L233 VanDerWaalsContact O-N 3.1Å; A230-L233 PolarHBondContact O-N 2.95Å; F231-L233 PolarHBondContact O-N 2.99Å; L233-I237 WeakPolarHBondContact O-CB 3.19Å; L233-I237 WeakPolarHBondContact O-CD1 3.48Å; L233-I237 WeakPolarHBondContact O-CG1 3.33Å; L233-I237 PolarHBondContact O-N 3.32Å |
| 234 | F | 90.3 | Very high | 86 | Confident | 59 Ų | 59 | 102.6 Ų | 102.6 | 26% | 0.259 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 175.9 | 177.2 | -107.8 | 0 | 0 | 0 | 112.5 | A230 F231 Y232 M236 I237 L238 | A230-F234 WeakPolarHBondContact O-CB 3.38Å; A230-F234 PolarHBondContact O-N 3.29Å; F231-F234 WeakPolarHBondContact O-CB 3.26Å; F231-F234 PolarHBondContact O-N 3.29Å; F231-F234 VanDerWaalsContact O-N 3.12Å; Y232-F234 VanDerWaalsContact C-N 3.32Å; Y232-F234 PolarHBondContact O-N 3.08Å; F234-M236 PolarHBondContact O-N 3.38Å; F234-I237 PolarHBondContact O-N 3.42Å; F234-L238 HydrophobicContact CD1-CD1 4.09Å; F234-L238 HydrophobicContact CE1-CD1 3.54Å; F234-L238 HydrophobicContact CE1-CG 4.26Å; F234-L238 HydrophobicContact CE2-CD1 4.45Å; F234-L238 HydrophobicContact CE2-CG 4.37Å; F234-L238 HydrophobicContact CZ-CD1 3.75Å; F234-L238 HydrophobicContact CZ-CD2 4.35Å; F234-L238 HydrophobicContact CZ-CG 4.14Å; F234-L238 WeakPolarHBondContact O-CG 3.25Å; F234-L238 PolarHBondContact O-N 3.22Å |
| 235 | I | 89 | Confident | 85.1 | Confident | 26 Ų | 26 | 106.2 Ų | 106.2 | 13% | 0.133 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 176 | -63.8 | -61.3 | 0 | 0 | 0 | 111.2 | F231 Y232 I237 L238 M239 | F231-I235 HydrophobicContact CD1-CG1 4.23Å; F231-I235 HydrophobicContact CE1-CD1 4.42Å; F231-I235 HydrophobicContact CE1-CG1 3.85Å; F231-I235 HydrophobicContact CE2-CD1 4.19Å; F231-I235 HydrophobicContact CE2-CG1 4.24Å; F231-I235 HydrophobicContact CZ-CD1 3.93Å; F231-I235 HydrophobicContact CZ-CG1 3.86Å; F231-I235 WeakPolarHBondContact O-CG1 3.46Å; F231-I235 PolarHBondContact O-N 3.03Å; Y232-I235 PolarHBondContact O-N 3.47Å; I235-I237 PolarHBondContact O-N 2.93Å; I235-L238 PolarHBondContact O-N 3.47Å; I235-M239 HydrophobicContact CG2-CG 4.48Å; I235-M239 HydrophobicContact CG2-SD 4.25Å; I235-M239 WeakPolarHBondContact O-CG 3.34Å; I235-M239 PolarHBondContact O-N 3.28Å |
| 236 | M | 89.8 | Confident | 84 | Confident | 122 Ų | 122 | 106.7 Ų | 106.7 | 60% | 0.601 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.9 | -42.8 | 174.9 | -71.7 | -65.3 | -65.2 | 0 | 0 | 112.3 | Y232 F234 M239 D240 | Y232-M236 WeakPolarHBondContact O-CB 3.43Å; Y232-M236 VanDerWaalsContact O-CG 3.27Å; Y232-M236 WeakPolarHBondContact O-CG 3.47Å; Y232-M236 PolarHBondContact O-N 3.43Å; F234-M236 PolarHBondContact O-N 3.38Å; M236-M239 PolarHBondContact O-N 3.34Å; M236-D240 WeakPolarHBondContact O-CB 3.4Å; M236-D240 PolarHBondContact O-N 2.55Å |
| 237 | I | 91.8 | Very high | 83 | Confident | 109 Ų | 109 | 106.7 Ų | 106.7 | 56% | 0.559 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.5 | -37.8 | 176.2 | -70.2 | 163.6 | 0 | 0 | 0 | 111.4 | L233 F234 I235 A241 | L233-I237 WeakPolarHBondContact O-CB 3.19Å; L233-I237 WeakPolarHBondContact O-CD1 3.48Å; L233-I237 WeakPolarHBondContact O-CG1 3.33Å; L233-I237 PolarHBondContact O-N 3.32Å; F234-I237 PolarHBondContact O-N 3.42Å; I235-I237 PolarHBondContact O-N 2.93Å; I237-A241 VanDerWaalsContact O-CB 3.25Å; I237-A241 WeakPolarHBondContact O-CB 3.28Å; I237-A241 PolarHBondContact O-N 2.89Å |
| 238 | L | 88.6 | Confident | 81.8 | Confident | 29 Ų | 29 | 103.8 Ų | 103.8 | 15% | 0.152 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 173.6 | -74 | -179.2 | 0 | 0 | 0 | 111.5 | F234 I235 A241 F242 | F234-L238 HydrophobicContact CD1-CD1 4.09Å; F234-L238 HydrophobicContact CE1-CD1 3.54Å; F234-L238 HydrophobicContact CE1-CG 4.26Å; F234-L238 HydrophobicContact CE2-CD1 4.45Å; F234-L238 HydrophobicContact CE2-CG 4.37Å; F234-L238 HydrophobicContact CZ-CD1 3.75Å; F234-L238 HydrophobicContact CZ-CD2 4.35Å; F234-L238 HydrophobicContact CZ-CG 4.14Å; F234-L238 WeakPolarHBondContact O-CG 3.25Å; F234-L238 PolarHBondContact O-N 3.22Å; I235-L238 PolarHBondContact O-N 3.47Å; L238-A241 CarbonylContact O-C 3.56Å; L238-A241 PolarHBondContact O-N 3.03Å; L238-F242 HydrophobicContact CB-CE2 4.47Å; L238-F242 WeakPolarHBondContact O-CD2 3.45Å; L238-F242 PolarHBondContact O-N 3.49Å |
| 239 | M | 85.3 | Confident | 80.7 | Confident | 98 Ų | 98 | 107.6 Ų | 107.6 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | -180 | -73 | -176 | 66.5 | 0 | 0 | 112.1 | I235 M236 A241 F242 D243 | I235-M239 HydrophobicContact CG2-CG 4.48Å; I235-M239 HydrophobicContact CG2-SD 4.25Å; I235-M239 WeakPolarHBondContact O-CG 3.34Å; I235-M239 PolarHBondContact O-N 3.28Å; M236-M239 PolarHBondContact O-N 3.34Å; M239-A241 VanDerWaalsContact C-N 3.35Å; M239-A241 PolarHBondContact O-N 3.47Å; M239-F242 PolarHBondContact O-N 3.21Å; M239-F242 VanDerWaalsContact O-N 3.13Å; M239-D243 PolarHBondContact O-N 3.01Å |
| 240 | D | 86.6 | Confident | 79 | Confident | 91 Ų | 91 | 109.5 Ų | 109.5 | 49% | 0.487 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 172.6 | -177 | 75.9 | 0 | 0 | 0 | 111.2 | M236 F242 D243 H244 | M236-D240 WeakPolarHBondContact O-CB 3.4Å; M236-D240 PolarHBondContact O-N 2.55Å; D240-F242 PolarHBondContact O-N 2.89Å; D240-F242 VanDerWaalsContact O-N 3.17Å; D240-D243 PolarHBondContact O-N 3.36Å; D240-H244 PolarHBondContact O-CD2 3.17Å; D240-H244 PolarHBondContact O-N 3.18Å; D240-H244 VanDerWaalsContact O-N 3.1Å; D240-H244 IonicContact OD1-CD2 3.39Å; D240-H244 IonicContact OD1-CE1 3.28Å; D240-H244 IonicContact OD1-NE2 2.59Å; D240-H244 PolarHBondContact OD1-NE2 3.09Å; D240-H244 IonicContact OD2-CD2 2.6Å; D240-H244 PolarHBondContact OD2-CD2 2.93Å; D240-H244 IonicContact OD2-NE2 2.7Å; D240-H244 PolarHBondContact OD2-NE2 3.45Å |
| 241 | A | 84.6 | Confident | 77.2 | Confident | 43 Ų | 43 | 109.6 Ų | 109.6 | 36% | 0.355 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.9 | -10.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | I237 L238 M239 | I237-A241 VanDerWaalsContact O-CB 3.25Å; I237-A241 WeakPolarHBondContact O-CB 3.28Å; I237-A241 PolarHBondContact O-N 2.89Å; L238-A241 CarbonylContact O-C 3.56Å; L238-A241 PolarHBondContact O-N 3.03Å; M239-A241 VanDerWaalsContact C-N 3.35Å; M239-A241 PolarHBondContact O-N 3.47Å |
| 242 | F | 78.2 | Confident | 75.6 | Confident | 104 Ų | 104 | 114.2 Ų | 114.2 | 46% | 0.456 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -93.9 | -40.8 | 167.5 | -76.5 | -65.5 | 0 | 0 | 0 | 112 | L238 M239 D240 H244 K245 | L238-F242 HydrophobicContact CB-CE2 4.47Å; L238-F242 WeakPolarHBondContact O-CD2 3.45Å; L238-F242 PolarHBondContact O-N 3.49Å; M239-F242 PolarHBondContact O-N 3.21Å; M239-F242 VanDerWaalsContact O-N 3.13Å; D240-F242 PolarHBondContact O-N 2.89Å; D240-F242 VanDerWaalsContact O-N 3.17Å; F242-H244 VanDerWaalsContact C-N 3.32Å; F242-H244 PolarHBondContact O-N 2.96Å; F242-K245 WeakPolarHBondContact O-CB 3.48Å; F242-K245 PolarHBondContact O-N 3.22Å |
| 243 | D | 81.3 | Confident | 73.8 | Confident | 141 Ų | 141 | 114.8 Ų | 114.8 | 75% | 0.754 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.1 | -33.8 | -179.3 | -157.9 | 45.9 | 0 | 0 | 0 | 112.2 | M239 D240 K245 | M239-D243 PolarHBondContact O-N 3.01Å; D240-D243 PolarHBondContact O-N 3.36Å; D243-K245 PolarHBondContact O-N 3.45Å |
| 244 | H | 67.6 | Low | 72.2 | Confident | 133 Ų | 133 | 116.9 Ų | 116.9 | 62% | 0.616 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 10.2 | 171.1 | -62.7 | -53.8 | 0 | 0 | 0 | 114.7 | D240 F242 | D240-H244 PolarHBondContact O-CD2 3.17Å; D240-H244 PolarHBondContact O-N 3.18Å; D240-H244 VanDerWaalsContact O-N 3.1Å; D240-H244 IonicContact OD1-CD2 3.39Å; D240-H244 IonicContact OD1-CE1 3.28Å; D240-H244 IonicContact OD1-NE2 2.59Å; D240-H244 PolarHBondContact OD1-NE2 3.09Å; D240-H244 IonicContact OD2-CD2 2.6Å; D240-H244 PolarHBondContact OD2-CD2 2.93Å; D240-H244 IonicContact OD2-NE2 2.7Å; D240-H244 PolarHBondContact OD2-NE2 3.45Å; F242-H244 VanDerWaalsContact C-N 3.32Å; F242-H244 PolarHBondContact O-N 2.96Å |
| 245 | K | 63.7 | Low | 70.7 | Confident | 146 Ų | 146 | 120.3 Ų | 120.3 | 64% | 0.635 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.9 | 42 | -175.2 | -69.4 | -174.1 | -175.2 | 151.3 | 0 | 115.7 | F242 D243 | F242-K245 WeakPolarHBondContact O-CB 3.48Å; F242-K245 PolarHBondContact O-N 3.22Å; D243-K245 PolarHBondContact O-N 3.45Å |
| 246 | E | 58.6 | Low | 69.3 | Low | 162 Ų | 162 | 127.1 Ų | 127.1 | 76% | 0.757 | 64% | 0.637 | S | S | * | * | trans | -166.9 | 100.4 | 134.1 | -109.3 | 159 | -177.9 | 0 | 0 | 112.2 | ||||
| 247 | K | 63 | Low | 67.7 | Low | 199 Ų | 199 | 127.5 Ų | 127.5 | 87% | 0.865 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 126.8 | 132.1 | -72 | -176 | 178.8 | 179.1 | 0 | 106.1 | E249 | K247-E249 PolarHBondContact O-N 3.47Š|
| 248 | P | 60 | Low | 65.8 | Low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 128.6 | 165.3 | 26.6 | -32.4 | 0 | 0 | 0 | 107.5 | D250 | P248-D250 PolarHBondContact O-N 3.28Š|
| 249 | E | 62.2 | Low | 64.2 | Low | 195 Ų | 195 | 133.8 Ų | 133.8 | 91% | 0.911 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 122.7 | 173.9 | -165.4 | 157.9 | -150.2 | 0 | 0 | 107.4 | K247 | K247-E249 PolarHBondContact O-N 3.47Š|
| 250 | D | 56.1 | Low | 62.6 | Low | 163 Ų | 163 | 138.5 Ų | 138.5 | 87% | 0.872 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 140.5 | -161.7 | -155.4 | -6.2 | 0 | 0 | 0 | 111.4 | P248 E252 | P248-D250 PolarHBondContact O-N 3.28Å; D250-E252 PolarHBondContact O-N 2.91Å; D250-E252 VanDerWaalsContact O-N 3.1Å |
| 251 | G | 53.2 | Low | 61 | Low | 61 Ų | 61 | 140.4 Ų | 140.4 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | trans | -66.5 | 105.6 | -142.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | E253 | G251-E253 PolarHBondContact O-N 3.41Š| ||
| 252 | E | 54.1 | Low | 60 | Low | 169 Ų | 169 | 144.8 Ų | 144.8 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | trans | -75.6 | 89.8 | 165.3 | -168.8 | 162.2 | -132.4 | 0 | 0 | 110.3 | D250 H254 | D250-E252 PolarHBondContact O-N 2.91Å; D250-E252 VanDerWaalsContact O-N 3.1Å; E252-H254 PolarHBondContact O-N 3.33Å | ||
| 253 | E | 53.6 | Low | 59 | Low | 143 Ų | 143 | 149.7 Ų | 149.7 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | trans | -62.2 | 89.9 | 175 | -81.3 | -166.6 | 114.4 | 0 | 0 | 112 | G251 K255 | G251-E253 PolarHBondContact O-N 3.41Å; E253-K255 HydrophobicContact CB-CG 4.45Å; E253-K255 PolarHBondContact O-N 2.84Å; E253-K255 IonicContact OE1-NZ 2.67Å; E253-K255 PolarHBondContact OE1-NZ 3.14Å; E253-K255 IonicContact OE2-NZ 2.66Å; E253-K255 PolarHBondContact OE2-NZ 3.09Å | ||
| 254 | H | 58.2 | Low | 58.4 | Low | 144 Ų | 144 | 151.4 Ų | 151.4 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | trans | -68.2 | 78.7 | 164.6 | -104.3 | -91.9 | 0 | 0 | 0 | 111 | E252 E256 | E252-H254 PolarHBondContact O-N 3.33Å; H254-E256 PolarHBondContact O-N 3Å | ||
| 255 | K | 59.4 | Low | 58.1 | Low | 130 Ų | 130 | 153.5 Ų | 153.5 | 57% | 0.565 | 75% | 0.751 | S | S | * | * | trans | -70.7 | 69.5 | 172.4 | -77.7 | -165.7 | 164.4 | 85.1 | 0 | 111.7 | E253 N257 | E253-K255 HydrophobicContact CB-CG 4.45Å; E253-K255 PolarHBondContact O-N 2.84Å; E253-K255 IonicContact OE1-NZ 2.67Å; E253-K255 PolarHBondContact OE1-NZ 3.14Å; E253-K255 IonicContact OE2-NZ 2.66Å; E253-K255 PolarHBondContact OE2-NZ 3.09Å; K255-N257 VanDerWaalsContact C-N 3.32Å; K255-N257 PolarHBondContact O-N 3.38Å; K255-N257 PolarHBondContact O-ND2 3.31Å | ||
| 256 | E | 58.9 | Low | 57.8 | Low | 170 Ų | 170 | 154.3 Ų | 154.3 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | -68.7 | 88.7 | 167.5 | -65.7 | -150.7 | 144.7 | 0 | 0 | 110.3 | H254 E258 | H254-E256 PolarHBondContact O-N 3Å; E256-E258 PolarHBondContact O-N 2.88Å | ||
| 257 | N | 57.2 | Low | 57.8 | Low | 130 Ų | 130 | 150.1 Ų | 150.1 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | trans | -73.1 | 88.6 | 179.1 | -75.3 | -83.1 | 0 | 0 | 0 | 110.6 | K255 S259 | K255-N257 VanDerWaalsContact C-N 3.32Å; K255-N257 PolarHBondContact O-N 3.38Å; K255-N257 PolarHBondContact O-ND2 3.31Å; N257-S259 VanDerWaalsContact C-N 3.27Å; N257-S259 PolarHBondContact O-N 3.32Å; N257-S259 PolarHBondContact O-OG 3.03Å | ||
| 258 | E | 52.2 | Low | 57.3 | Low | 170 Ų | 170 | 150 Ų | 150 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -64.2 | 81.2 | 176.9 | -160.7 | -167 | -179.6 | 0 | 0 | 111.4 | E256 R260 | E256-E258 PolarHBondContact O-N 2.88Å; E258-R260 PolarHBondContact O-N 2.98Å | ||
| 259 | S | 54.8 | Low | 57.2 | Low | 99 Ų | 99 | 151.2 Ų | 151.2 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -82.8 | 51.6 | -169 | 36.1 | 0 | 0 | 0 | 0 | 113 | N257 T261 | N257-S259 VanDerWaalsContact C-N 3.27Å; N257-S259 PolarHBondContact O-N 3.32Å; N257-S259 PolarHBondContact O-OG 3.03Å; S259-T261 VanDerWaalsContact C-N 3.3Å; S259-T261 PolarHBondContact O-N 3.2Å; S259-T261 PolarHBondContact O-OG1 2.9Å | ||
| 260 | R | 51.2 | Low | 56.9 | Low | 197 Ų | 197 | 148.8 Ų | 148.8 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -69.2 | 78.9 | 178.3 | -173.2 | 176.8 | 171.3 | 167.5 | -3.4 | 111.9 | E258 E262 | E258-R260 PolarHBondContact O-N 2.98Å; R260-E262 PolarHBondContact O-N 3.02Å; R260-E262 VanDerWaalsContact O-N 3.15Å | ||
| 261 | T | 53.3 | Low | 57.1 | Low | 132 Ų | 132 | 146.3 Ų | 146.3 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | -78.1 | 93.8 | 178.7 | 36.6 | 0 | 0 | 0 | 0 | 111.9 | S259 K263 | S259-T261 VanDerWaalsContact C-N 3.3Å; S259-T261 PolarHBondContact O-N 3.2Å; S259-T261 PolarHBondContact O-OG1 2.9Å; T261-K263 PolarHBondContact O-N 3.16Å | ||
| 262 | E | 64.2 | Low | 57.1 | Low | 134 Ų | 134 | 152 Ų | 152 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | trans | -61.8 | 132.2 | 163.5 | -78.5 | -159 | 151.7 | 0 | 0 | 110.7 | R260 K264 | R260-E262 PolarHBondContact O-N 3.02Å; R260-E262 VanDerWaalsContact O-N 3.15Å; E262-K264 IonicContact OE2-NZ 2.78Å; E262-K264 PolarHBondContact OE2-NZ 3.46Å | ||
| 263 | K | 57.4 | Low | 57.1 | Low | 207 Ų | 207 | 153.3 Ų | 153.3 | 90% | 0.9 | 77% | 0.773 | S | S | * | * | trans | -71.8 | 127 | 166.2 | -65.4 | 178.6 | 180 | 178.2 | 0 | 109.6 | T261 | T261-K263 PolarHBondContact O-N 3.16Š| ||
| 264 | K | 67.4 | Low | 56.9 | Low | 177 Ų | 177 | 152 Ų | 152 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -124.4 | 141 | 156.1 | -73.1 | -177.1 | 176 | 111.4 | 0 | 108.8 | E262 | E262-K264 IonicContact OE2-NZ 2.78Å; E262-K264 PolarHBondContact OE2-NZ 3.46Å | ||
| 265 | E | 62.1 | Low | 56.3 | Low | 177 Ų | 177 | 152.1 Ų | 152.1 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -122.1 | 148.6 | -165.1 | -177.3 | 169.6 | -146 | 0 | 0 | 108.4 | ||||
| 266 | D | 57.4 | Low | 55.8 | Low | 163 Ų | 163 | 152.9 Ų | 152.9 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | 59.6 | 143.2 | 178.9 | -68.2 | -21.8 | 0 | 0 | 0 | 119.1 | ||||
| 267 | G | 58.6 | Low | 55.3 | Low | 74 Ų | 74 | 152.1 Ų | 152.1 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | 149 | 58.8 | 172 | 0 | 0 | 0 | 0 | 0 | 115.9 | T269 | G267-T269 PolarHBondContact O-N 3.29Š| ||
| 268 | E | 52.2 | Low | 54.5 | Low | 198 Ų | 198 | 151.9 Ų | 151.9 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -62.6 | 123 | 167.5 | -73.8 | -176.2 | 102.4 | 0 | 0 | 111 | ||||
| 269 | T | 58 | Low | 54.4 | Low | 143 Ų | 143 | 152.7 Ų | 152.7 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -153.7 | 118.5 | 139.3 | -24 | 0 | 0 | 0 | 0 | 112 | G267 | G267-T269 PolarHBondContact O-N 3.29Š| ||
| 270 | D | 55.8 | Low | 53.8 | Low | 143 Ų | 143 | 154.4 Ų | 154.4 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | -85 | 127.5 | 170.9 | 165.9 | 39.2 | 0 | 0 | 0 | 111 | ||||
| 271 | S | 60.3 | Low | 53.6 | Low | 112 Ų | 112 | 150.7 Ų | 150.7 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -178.2 | 133.8 | 137.7 | -83.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 272 | Q | 52.3 | Low | 53.3 | Low | 181 Ų | 181 | 148.1 Ų | 148.1 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -79 | 142.5 | 177.8 | -61.1 | 173 | -32.2 | 0 | 0 | 113 | ||||
| 273 | K | 54.2 | Low | 52.3 | Low | 195 Ų | 195 | 148.4 Ų | 148.4 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -173.6 | 119.6 | 130 | -109.1 | -178.1 | 178.7 | -161.7 | 0 | 112.4 | ||||
| 274 | P | 49 | Very low | 51.5 | Low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -93.1 | 133.5 | 157.5 | 34.1 | -27.1 | 0 | 0 | 0 | 110 | ||||
| 275 | D | 47.5 | Very low | 50.5 | Low | 146 Ų | 146 | 140.9 Ų | 140.9 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | -161.4 | 143.5 | 157.8 | -115.7 | -30 | 0 | 0 | 0 | 111.9 | ||||
| 276 | E | 48.4 | Very low | 49.7 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | trans | 56.5 | 120 | 155.1 | -57 | -144.4 | 93.9 | 0 | 0 | 123.3 | ||||
| 277 | Q | 47.2 | Very low | 49.4 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 67.8 | 132.9 | 135.5 | -59.1 | 173.3 | 34.7 | 0 | 0 | 121.3 | ||||
| 278 | T | 42 | Very low | 48.8 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | -178.9 | 111.3 | 114.9 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 279 | E | 49.4 | Very low | 48.5 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | 33.7 | 129.3 | 142.2 | -53.5 | -178.4 | 127 | 0 | 0 | 123.8 | ||||
| 280 | T | 42.8 | Very low | 47.8 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | trans | -92.6 | 163.1 | 165.5 | -20.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 281 | P | 45.4 | Very low | 47 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | -148.4 | 141.2 | 106.1 | 35.7 | -18 | 0 | 0 | 0 | 115.6 | |||||
| 282 | A | 47.3 | Very low | 46.3 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | 66.1 | 112.9 | 103 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 283 | I | 43.3 | Very low | 45.5 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | 82.5 | 124.7 | 63.5 | -68 | 163.8 | 0 | 0 | 0 | 114.5 | |||||
| 284 | M | 41.3 | Very low | 45.1 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 57% | 0.567 | 74% | 0.736 | S | S | * | * | trans | -153.5 | 154.8 | 144.4 | -85.5 | -148.6 | 67.7 | 0 | 0 | 110 | T147 P148 | T147-M284 HydrophobicContact CG2-CE 4.41Å; P148-M284 HydrophobicContact CB-CE 3.58Å; P148-M284 HydrophobicContact CB-SD 4.05Å | ||
| 285 | T | 46.6 | Very low | 44.6 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | trans | -144.1 | 157.6 | -164.5 | -42.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 286 | D | 44.1 | Very low | 44.4 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 162.9 | 175.4 | -98.4 | -46.7 | 0 | 0 | 0 | 114.5 | ||
| 287 | P | 50.8 | Low | 44 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -92 | 164.9 | -164.8 | 36.5 | -37.5 | 0 | 0 | 0 | 116.3 | ||
| 288 | P | 46.8 | Very low | 43.9 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 155.6 | -169.5 | 34.7 | -37.4 | 0 | 0 | 0 | 116.1 | ||
| 289 | L | 45.4 | Very low | 44.5 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 94% | 0.942 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 138.2 | 168.2 | -79.4 | 162.2 | 0 | 0 | 0 | 111.6 | ||
| 290 | T | 44.8 | Very low | 44.3 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 123.6 | -178.5 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | N292 | T290-N292 PolarHBondContact O-N 3.21Å; T290-N292 PolarHBondContact OG1-ND2 3.48Å |
| 291 | D | 37.7 | Very low | 44.3 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -76 | 86.5 | 178.8 | -150.6 | -23.8 | 0 | 0 | 0 | 111.4 | C293 | D291-C293 PolarHBondContact O-N 3.41Š| ||
| 292 | N | 45.3 | Very low | 44.1 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 61% | 0.61 | 76% | 0.757 | S | S | * | * | trans | -90.2 | 70.9 | -174.4 | -98.7 | -68 | 0 | 0 | 0 | 113.1 | T290 L294 | T290-N292 PolarHBondContact O-N 3.21Å; T290-N292 PolarHBondContact OG1-ND2 3.48Å; N292-L294 VanDerWaalsContact C-N 3.28Å; N292-L294 PolarHBondContact O-N 2.82Å | ||
| 293 | C | 36.9 | Very low | 43.7 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | trans | -64.4 | 74.4 | 170.5 | -79.5 | 0 | 0 | 0 | 0 | 113.8 | D291 N295 | D291-C293 PolarHBondContact O-N 3.41Å; C293-N295 PolarHBondContact O-N 3.28Å; C293-N295 PolarHBondContact O-ND2 3.49Å | ||
| 294 | L | 46.2 | Very low | 43.5 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | -101.7 | 75 | -177.4 | -87 | 171.9 | 0 | 0 | 0 | 115 | N292 I296 | N292-L294 VanDerWaalsContact C-N 3.28Å; N292-L294 PolarHBondContact O-N 2.82Å; L294-I296 PolarHBondContact O-N 3.19Å | ||
| 295 | N | 38.2 | Very low | 43.6 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | 23.6 | 71.1 | 135.5 | -73.9 | -84.2 | 0 | 0 | 0 | 118.7 | C293 | C293-N295 PolarHBondContact O-N 3.28Å; C293-N295 PolarHBondContact O-ND2 3.49Å | ||
| 296 | I | 42.3 | Very low | 43.3 | Very low | 166 Ų | 166 | 147 Ų | 147 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -82.8 | 118.2 | 162.6 | -60.8 | -178.2 | 0 | 0 | 0 | 109.2 | L294 L298 | L294-I296 PolarHBondContact O-N 3.19Å; I296-L298 PolarHBondContact O-N 3.46Å | ||
| 297 | K | 40.6 | Very low | 43.3 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -77.4 | 111.2 | -179 | -72.3 | 174.9 | 180 | 168.2 | 0 | 111.4 | P299 | K297-P299 WeakPolarHBondContact O-CD 3.49Š| ||
| 298 | L | 44.5 | Very low | 42.7 | Very low | 164 Ų | 164 | 151.5 Ų | 151.5 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 121.9 | 162.6 | -79.8 | 152.2 | 0 | 0 | 0 | 110.6 | I296 R300 | I296-L298 PolarHBondContact O-N 3.46Å; L298-R300 PolarHBondContact O-N 3.41Å |
| 299 | P | 55.9 | Low | 42.9 | Very low | 127 Ų | 127 | 152.1 Ų | 152.1 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 124.2 | 171.3 | 28.8 | -32.3 | 0 | 0 | 0 | 110.1 | K297 | K297-P299 WeakPolarHBondContact O-CD 3.49Š|
| 300 | R | 44.2 | Very low | 42.9 | Very low | 235 Ų | 235 | 152.9 Ų | 152.9 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 131.4 | 177.2 | -103.8 | -177.4 | 171.2 | 164.8 | -1.5 | 111.5 | L298 | L298-R300 PolarHBondContact O-N 3.41Š|
| 301 | S | 42.7 | Very low | 42.7 | Very low | 129 Ų | 129 | 155 Ų | 155 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | 64.2 | 142.9 | 155.4 | 56.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 302 | G | 41 | Very low | 42.9 | Very low | 64 Ų | 64 | 156.9 Ų | 156.9 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | trans | 127 | 65.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 303 | E | 38.3 | Very low | 43.4 | Very low | 182 Ų | 182 | 158.5 Ų | 158.5 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | 76.4 | 143.6 | 86.3 | -71.2 | -164 | 116.4 | 0 | 0 | 114.8 | |||||
| 304 | T | 41 | Very low | 44.8 | Very low | 137 Ų | 137 | 159 Ų | 159 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | 69.2 | 143.8 | -178.5 | 71.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 305 | E | 41.9 | Very low | 45.4 | Very low | 185 Ų | 185 | 158.2 Ų | 158.2 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | cis | -143.2 | 171.9 | -11.6 | -140 | -177.7 | 109.7 | 0 | 0 | 111.9 | ||||
| 306 | K | 41.4 | Very low | 45.7 | Very low | 195 Ų | 195 | 161.7 Ų | 161.7 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -89.7 | 137.3 | -172 | -56.5 | 171.7 | -176.9 | 176.5 | 0 | 112.3 | ||||
| 307 | R | 44.5 | Very low | 46.1 | Very low | 251 Ų | 251 | 159.8 Ų | 159.8 | 95% | 0.947 | 82% | 0.815 | S | S | * | * | trans | -158.9 | 136.6 | 145.1 | -109.4 | 163.3 | -166.5 | 175.4 | 5.2 | 110 | ||||
| 308 | S | 37.4 | Very low | 46.1 | Very low | 107 Ų | 107 | 156.7 Ų | 156.7 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -110.6 | 152.1 | 165.4 | 91.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 309 | P | 50.4 | Low | 46 | Very low | 121 Ų | 121 | 156 Ų | 156 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -81.8 | 170.5 | 151.2 | 34.5 | -29.5 | 0 | 0 | 0 | 110.6 | ||||
| 310 | E | 45.6 | Very low | 45.1 | Very low | 196 Ų | 196 | 155.2 Ų | 155.2 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -87.6 | 162.8 | -177.3 | -92.7 | 161 | 79.2 | 0 | 0 | 114 | E312 | E310-E312 PolarHBondContact O-N 3.11Å; E310-E312 VanDerWaalsContact O-N 3.16Å | ||
| 311 | E | 39.9 | Very low | 45 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | trans | -81.3 | 80.4 | -174 | -171.7 | -167 | 165.6 | 0 | 0 | 112.2 | K313 | E311-K313 VanDerWaalsContact CD-NZ 3.28Å; E311-K313 PolarHBondContact O-N 3.17Å; E311-K313 WeakPolarHBondContact OE1-CE 3.19Å; E311-K313 IonicContact OE1-NZ 3.8Å; E311-K313 PolarHBondContact OE1-NZ 3.13Å; E311-K313 IonicContact OE2-NZ 2.78Å | ||
| 312 | E | 43.5 | Very low | 44.9 | Very low | 188 Ų | 188 | 154.3 Ų | 154.3 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -79.9 | 97.4 | 177.6 | -169.3 | 165.5 | -165.9 | 0 | 0 | 111.9 | E310 | E310-E312 PolarHBondContact O-N 3.11Å; E310-E312 VanDerWaalsContact O-N 3.16Å | ||
| 313 | K | 54.4 | Low | 45 | Very low | 148 Ų | 148 | 158.3 Ų | 158.3 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 128.1 | 177.8 | -70.8 | -172.6 | 176 | 67.3 | 0 | 111.9 | E311 | E311-K313 VanDerWaalsContact CD-NZ 3.28Å; E311-K313 PolarHBondContact O-N 3.17Å; E311-K313 WeakPolarHBondContact OE1-CE 3.19Å; E311-K313 IonicContact OE1-NZ 3.8Å; E311-K313 PolarHBondContact OE1-NZ 3.13Å; E311-K313 IonicContact OE2-NZ 2.78Å |
| 314 | P | 65.9 | Low | 45.3 | Very low | 114 Ų | 114 | 158.8 Ų | 158.8 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 151.2 | 171.2 | 28.4 | -34.3 | 0 | 0 | 0 | 111.6 | R316 | P314-R316 PolarHBondContact O-N 3.23Š|
| 315 | P | 59.1 | Low | 45.4 | Very low | 117 Ų | 117 | 159.7 Ų | 159.7 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 128.2 | -176.5 | 28.3 | -34.4 | 0 | 0 | 0 | 112.2 | V317 | P315-V317 PolarHBondContact O-N 3.45Š|
| 316 | R | 45 | Very low | 45.8 | Very low | 223 Ų | 223 | 156.7 Ų | 156.7 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 123.2 | 167.8 | -85.1 | -170.8 | 175.6 | 172.6 | -2.5 | 110.6 | P314 | P314-R316 PolarHBondContact O-N 3.23Š|
| 317 | V | 50.6 | Low | 45.8 | Very low | 126 Ų | 126 | 156.3 Ų | 156.3 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | -109.8 | 81.1 | 167.3 | -82.3 | 0 | 0 | 0 | 0 | 109.7 | P315 N319 | P315-V317 PolarHBondContact O-N 3.45Å; V317-N319 PolarHBondContact O-N 3.08Å | ||
| 318 | D | 40.7 | Very low | 45.5 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | -68.4 | 65 | 175.3 | -76.7 | -67.8 | 0 | 0 | 0 | 112.2 | ||||
| 319 | N | 41.8 | Very low | 45.7 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -102.2 | 52.5 | 177 | -101.4 | -23.6 | 0 | 0 | 0 | 111.7 | V317 L321 | V317-N319 PolarHBondContact O-N 3.08Å; N319-L321 PolarHBondContact O-N 3.18Å | ||
| 320 | C | 38.8 | Very low | 45.3 | Very low | 112 Ų | 112 | 153.4 Ų | 153.4 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | trans | -67.4 | 80.5 | 170.3 | -73.7 | 0 | 0 | 0 | 0 | 111 | K322 | C320-K322 PolarHBondContact O-N 3.23Š| ||
| 321 | L | 41.3 | Very low | 45 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -67.7 | 102.7 | -178.7 | -142.5 | 161 | 0 | 0 | 0 | 109.2 | N319 I323 | N319-L321 PolarHBondContact O-N 3.18Å; L321-I323 VanDerWaalsContact C-N 3.33Å; L321-I323 PolarHBondContact O-N 3.35Å | ||
| 322 | K | 40 | Very low | 45.4 | Very low | 193 Ų | 193 | 153.4 Ų | 153.4 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -68 | 82.5 | -175.2 | -70.2 | 178.7 | 178.3 | 174.5 | 0 | 111.9 | C320 K324 | C320-K322 PolarHBondContact O-N 3.23Å; K322-K324 PolarHBondContact O-N 2.88Å; K322-K324 VanDerWaalsContact O-N 3.09Å | ||
| 323 | I | 43.7 | Very low | 45.7 | Very low | 148 Ų | 148 | 153.3 Ų | 153.3 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -66.5 | 106.4 | 166.3 | -60.3 | 176.8 | 0 | 0 | 0 | 107.7 | L321 L325 | L321-I323 VanDerWaalsContact C-N 3.33Å; L321-I323 PolarHBondContact O-N 3.35Å; I323-L325 PolarHBondContact O-N 3.39Å | ||
| 324 | K | 45 | Very low | 45.8 | Very low | 192 Ų | 192 | 152 Ų | 152 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -73.8 | 111.4 | 168.9 | -70.4 | -177.4 | 177.5 | -178.6 | 0 | 108.6 | K322 | K322-K324 PolarHBondContact O-N 2.88Å; K322-K324 VanDerWaalsContact O-N 3.09Å | ||
| 325 | L | 41.8 | Very low | 44.6 | Very low | 155 Ų | 155 | 154.7 Ų | 154.7 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -61.8 | 131.1 | 158.6 | -80 | 156.3 | 0 | 0 | 0 | 108.6 | I323 Q327 | I323-L325 PolarHBondContact O-N 3.39Å; L325-Q327 PolarHBondContact O-N 3.5Å; L325-Q327 VanDerWaalsContact O-N 3.14Å | ||
| 326 | P | 50.2 | Low | 43.8 | Very low | 122 Ų | 122 | 158.1 Ų | 158.1 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -71.5 | 104.8 | 168 | 29.3 | -31 | 0 | 0 | 0 | 108.2 | ||||
| 327 | Q | 42.1 | Very low | 44 | Very low | 187 Ų | 187 | 155.7 Ų | 155.7 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -75.8 | 145 | 174.5 | -161.2 | 169 | 10.5 | 0 | 0 | 109.9 | L325 | L325-Q327 PolarHBondContact O-N 3.5Å; L325-Q327 VanDerWaalsContact O-N 3.14Å | ||
| 328 | E | 37.7 | Very low | 43.8 | Very low | 197 Ų | 197 | 155.6 Ų | 155.6 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -59.5 | 138.7 | -170.9 | -61.3 | 167.9 | 123.6 | 0 | 0 | 112.6 | ||||
| 329 | G | 42.4 | Very low | 44 | Very low | 73 Ų | 73 | 152.9 Ų | 152.9 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -141.5 | 87.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 330 | E | 42.3 | Very low | 44.1 | Very low | 148 Ų | 148 | 154 Ų | 154 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | 38.8 | 105.7 | 158.2 | -60.8 | -172.6 | 108.5 | 0 | 0 | 119.3 | K332 | E330-K332 PolarHBondContact O-N 3.49Å; E330-K332 VanDerWaalsContact O-N 3.11Å; E330-K332 VanDerWaalsContact OE1-CE 3.26Å; E330-K332 WeakPolarHBondContact OE1-CE 3.42Å; E330-K332 IonicContact OE1-NZ 2.68Å; E330-K332 PolarHBondContact OE1-NZ 2.91Å; E330-K332 IonicContact OE2-NZ 2.68Å; E330-K332 PolarHBondContact OE2-NZ 3.48Å | ||
| 331 | E | 38.7 | Very low | 44.5 | Very low | 201 Ų | 201 | 155.6 Ų | 155.6 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | trans | -61.5 | 111 | 157.3 | -72.4 | -170 | 104.7 | 0 | 0 | 111.3 | ||||
| 332 | K | 48.7 | Very low | 44.7 | Very low | 151 Ų | 151 | 152.2 Ų | 152.2 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | -117.9 | 79.1 | 171.4 | -82.1 | 172.4 | 179.9 | 158.9 | 0 | 112 | E330 | E330-K332 PolarHBondContact O-N 3.49Å; E330-K332 VanDerWaalsContact O-N 3.11Å; E330-K332 VanDerWaalsContact OE1-CE 3.26Å; E330-K332 WeakPolarHBondContact OE1-CE 3.42Å; E330-K332 IonicContact OE1-NZ 2.68Å; E330-K332 PolarHBondContact OE1-NZ 2.91Å; E330-K332 IonicContact OE2-NZ 2.68Å; E330-K332 PolarHBondContact OE2-NZ 3.48Å | ||
| 333 | K | 48.6 | Very low | 45 | Very low | 186 Ų | 186 | 149 Ų | 149 | 81% | 0.809 | 79% | 0.793 | S | S | * | * | trans | 8.7 | 114.5 | 147.7 | -179 | -177.2 | 178 | -172.5 | 0 | 116.5 | ||||
| 334 | P | 56.5 | Low | 45.1 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -68.1 | 149.6 | 159.1 | -15.2 | 30.6 | 0 | 0 | 0 | 111.9 | ||||
| 335 | E | 42 | Very low | 45.2 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -106.8 | 104.7 | 177.2 | -175.2 | 176.4 | 143.8 | 0 | 0 | 109.7 | ||||
| 336 | E | 41.5 | Very low | 45.5 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -85.8 | 137.4 | 171.8 | -77.6 | -165.4 | 115.7 | 0 | 0 | 111.8 | ||||
| 337 | Q | 50.1 | Low | 45 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -128.1 | 155.4 | 165.3 | -84.9 | -147.6 | 0.4 | 0 | 0 | 111.1 | ||||
| 338 | P | 45.7 | Very low | 45.4 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -98.4 | 163 | -145.4 | 37.3 | -37.2 | 0 | 0 | 0 | 115.5 | ||||
| 339 | G | 44.3 | Very low | 45.4 | Very low | 71 Ų | 71 | 146.9 Ų | 146.9 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | -152.9 | 60.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 340 | E | 45.2 | Very low | 45.9 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | 53.9 | 140.3 | 150.8 | -55 | -171.2 | 105.7 | 0 | 0 | 123.6 | ||||
| 341 | N | 45.5 | Very low | 45.9 | Very low | 145 Ų | 145 | 154 Ų | 154 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | 81.2 | 139.5 | 154 | -54 | -47.8 | 0 | 0 | 0 | 119.9 | ||||
| 342 | A | 46.6 | Very low | 46.2 | Very low | 82 Ų | 82 | 148.6 Ų | 148.6 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | cis | -169.1 | 169.1 | -18.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 343 | V | 46.6 | Very low | 46 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | 69.7 | 95.9 | 168.9 | -168.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 344 | E | 46.2 | Very low | 45.6 | Very low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | 67.5 | 112.1 | 70.3 | -65.2 | -164.9 | 131.6 | 0 | 0 | 116.1 | |||||
| 345 | E | 45.7 | Very low | 45.2 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | -164.3 | 136.8 | 107.5 | -172.9 | 154.3 | -159.2 | 0 | 0 | 112.6 | |||||
| 346 | K | 47.9 | Very low | 45.2 | Very low | 163 Ų | 163 | 152.2 Ų | 152.2 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | trans | 9 | 131.9 | 163.6 | -61 | 154.4 | -163.3 | 156.1 | 0 | 119.5 | ||||
| 347 | V | 41 | Very low | 45.3 | Very low | 137 Ų | 137 | 153.2 Ų | 153.2 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | cis | 68.2 | 106 | 33.3 | -170.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 348 | E | 49.3 | Very low | 45.3 | Very low | 179 Ų | 179 | 152.5 Ų | 152.5 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | -143.8 | 134.5 | 126.6 | -158.8 | 174.9 | 171 | 0 | 0 | 109.8 | |||||
| 349 | E | 39.2 | Very low | 45.1 | Very low | 135 Ų | 135 | 152.4 Ų | 152.4 | 63% | 0.631 | 79% | 0.793 | S | S | * | * | trans | -116.4 | 145.9 | -175.1 | -178.4 | -157 | 138.6 | 0 | 0 | 109.8 | K351 | E349-K351 WeakPolarHBondContact OE1-CE 3.39Å; E349-K351 WeakPolarHBondContact OE1-CG 3.47Å | ||
| 350 | K | 52.8 | Low | 45.1 | Very low | 191 Ų | 191 | 154.6 Ų | 154.6 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -143.9 | 120 | 160.1 | -120.2 | 159.1 | -168.2 | 147.7 | 0 | 114.8 | ||||
| 351 | K | 41.2 | Very low | 44.9 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -72.6 | 168.7 | -175.7 | -97.6 | 167.3 | -179.5 | 165.2 | 0 | 116.4 | E349 | E349-K351 WeakPolarHBondContact OE1-CE 3.39Å; E349-K351 WeakPolarHBondContact OE1-CG 3.47Å | ||
| 352 | A | 45.3 | Very low | 44.7 | Very low | 88 Ų | 88 | 150.8 Ų | 150.8 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 106.8 | 140 | 153.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 353 | E | 45 | Very low | 44.2 | Very low | 183 Ų | 183 | 153 Ų | 153 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | cis | -153.2 | 164.3 | -19.5 | -118.3 | -168.8 | 104.2 | 0 | 0 | 107.7 | ||||
| 354 | P | 41 | Very low | 43.7 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -90.1 | 123.8 | -167.7 | 33.7 | -32.6 | 0 | 0 | 0 | 114.1 | ||||
| 355 | E | 47 | Very low | 43.3 | Very low | 194 Ų | 194 | 149.5 Ų | 149.5 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | -119.3 | 146 | 167.3 | -74.8 | -141.1 | 113.4 | 0 | 0 | 113.6 | ||||
| 356 | K | 41.9 | Very low | 42.8 | Very low | 206 Ų | 206 | 148.3 Ų | 148.3 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | -74.8 | 130.8 | -170.2 | -55.7 | 152.6 | -174.8 | 165.9 | 0 | 111 | ||||
| 357 | K | 44.2 | Very low | 42.3 | Very low | 210 Ų | 210 | 148 Ų | 148 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | trans | -131.5 | 157 | 154.4 | -72.5 | -165.3 | 176 | -178.2 | 0 | 111.1 | ||||
| 358 | L | 49.6 | Very low | 42.8 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75 | 159.2 | -164.5 | -66.3 | 164.5 | 0 | 0 | 0 | 112 | S360 | L358-S360 PolarHBondContact O-N 2.94Š|
| 359 | P | 42.2 | Very low | 43 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 118.9 | 171.1 | 26.6 | -34 | 0 | 0 | 0 | 110 | T361 | P359-T361 PolarHBondContact O-N 3.24Š|
| 360 | S | 44.5 | Very low | 43.9 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61 | 131 | 170.6 | -55.1 | 0 | 0 | 0 | 0 | 109.9 | L358 | L358-S360 PolarHBondContact O-N 2.94Š|
| 361 | T | 39.9 | Very low | 44.9 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 137.7 | 168.4 | 41.5 | 0 | 0 | 0 | 0 | 110.3 | P359 T363 | P359-T361 PolarHBondContact O-N 3.24Å; T361-T363 PolarHBondContact O-N 3.27Å |
| 362 | P | 42.3 | Very low | 46.2 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 119.3 | 169.4 | 28.1 | -32.4 | 0 | 0 | 0 | 108.5 | V364 | P362-V364 PolarHBondContact O-N 2.73Å; P362-V364 VanDerWaalsContact O-N 3.1Å |
| 363 | T | 35.4 | Very low | 47.3 | Very low | 129 Ų | 129 | 137 Ų | 137 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | -60.3 | 114.8 | 165.4 | -54.3 | 0 | 0 | 0 | 0 | 107.1 | T361 S365 | T361-T363 PolarHBondContact O-N 3.27Å; T363-S365 VanDerWaalsContact C-N 3.32Å; T363-S365 PolarHBondContact O-N 2.92Å | ||
| 364 | V | 36.6 | Very low | 48.8 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | -68.4 | 97.5 | 170.3 | 177.7 | 0 | 0 | 0 | 0 | 106.5 | P362 T366 | P362-V364 PolarHBondContact O-N 2.73Å; P362-V364 VanDerWaalsContact O-N 3.1Å; V364-T366 PolarHBondContact O-N 2.98Å | ||
| 365 | S | 37.1 | Very low | 50.3 | Low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | -52 | 129 | 166.2 | -61.9 | 0 | 0 | 0 | 0 | 108.1 | T363 L367 | T363-S365 VanDerWaalsContact C-N 3.32Å; T363-S365 PolarHBondContact O-N 2.92Å; S365-L367 PolarHBondContact O-N 3.29Å | ||
| 366 | T | 36.7 | Very low | 51.5 | Low | 133 Ų | 133 | 123.6 Ų | 123.6 | 82% | 0.816 | 67% | 0.674 | S | S | * | * | trans | -58.3 | 100.4 | 176.4 | -50.1 | 0 | 0 | 0 | 0 | 108.6 | V364 E368 | V364-T366 PolarHBondContact O-N 2.98Å; T366-E368 PolarHBondContact O-N 2.82Å | ||
| 367 | L | 36 | Very low | 53 | Low | 157 Ų | 157 | 118.1 Ų | 118.1 | 82% | 0.822 | 65% | 0.654 | S | S | * | * | trans | -67.4 | 104.6 | 172.8 | -173.2 | 73.1 | 0 | 0 | 0 | 106.2 | S365 K369 | S365-L367 PolarHBondContact O-N 3.29Å; L367-K369 PolarHBondContact O-N 3.19Å; L367-K369 VanDerWaalsContact O-N 3.16Å | ||
| 368 | E | 51.6 | Low | 54.4 | Low | 174 Ų | 174 | 110.9 Ų | 110.9 | 81% | 0.813 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 125.1 | 174 | -71.7 | -171.7 | 105.3 | 0 | 0 | 108.2 | T366 | T366-E368 PolarHBondContact O-N 2.82Š|
| 369 | K | 54.7 | Low | 55.5 | Low | 190 Ų | 190 | 111.1 Ų | 111.1 | 83% | 0.826 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 124 | 177 | -68.5 | 175.1 | -178.9 | 174 | 0 | 106.1 | L367 D371 | L367-K369 PolarHBondContact O-N 3.19Å; L367-K369 VanDerWaalsContact O-N 3.16Å; K369-D371 PolarHBondContact O-N 3.27Å; K369-D371 VanDerWaalsContact O-N 3.09Å |
| 370 | P | 57.8 | Low | 56.9 | Low | 101 Ų | 101 | 107.8 Ų | 107.8 | 66% | 0.656 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -57 | 123.8 | -178.1 | 23.2 | -33.1 | 0 | 0 | 0 | 108.1 | V372 | P370-V372 PolarHBondContact O-N 3.01Š|
| 371 | D | 73.3 | Confident | 58.3 | Low | 61 Ų | 61 | 107.5 Ų | 107.5 | 33% | 0.326 | 59% | 0.59 | S | S | . | * | trans | -62.7 | 108.5 | 179.7 | -178.8 | -36.6 | 0 | 0 | 0 | 107.9 | K369 E373 K374 T375 | K369-D371 PolarHBondContact O-N 3.27Å; K369-D371 VanDerWaalsContact O-N 3.09Å; D371-E373 VanDerWaalsContact C-N 3.25Å; D371-E373 PolarHBondContact O-N 3.21Å; D371-E373 WeakPolarHBondContact OD1-CB 3.48Å; D371-E373 PolarHBondContact OD1-N 2.79Å; D371-E373 VanDerWaalsContact OD1-N 3.08Å; D371-K374 HydrophobicContact CB-CB 3.97Å; D371-K374 HydrophobicContact CB-CD 4.06Å; D371-K374 HydrophobicContact CB-CG 4.1Å; D371-K374 PolarHBondContact O-N 3.21Å; D371-K374 PolarHBondContact OD1-N 3.49Å; D371-K374 WeakPolarHBondContact OD2-CD 3.36Å; D371-K374 WeakPolarHBondContact OD2-CG 3.32Å; D371-K374 IonicContact OD2-NZ 2.55Å; D371-K374 PolarHBondContact OD2-NZ 2.97Å; D371-T375 WeakPolarHBondContact O-CB 3.42Å; D371-T375 PolarHBondContact O-N 3.22Å; D371-T375 PolarHBondContact O-OG1 3.29Å | ||
| 372 | V | 67.6 | Low | 59.9 | Low | 73 Ų | 73 | 105.1 Ų | 105.1 | 44% | 0.442 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66 | -34.2 | -171.8 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | P370 T375 I376 | P370-V372 PolarHBondContact O-N 3.01Å; V372-T375 PolarHBondContact O-N 3.24Å; V372-I376 HydrophobicContact CG1-CD1 3.84Å; V372-I376 HydrophobicContact CG1-CG1 4.44Å; V372-I376 WeakPolarHBondContact O-CB 3.43Å; V372-I376 VanDerWaalsContact O-CG1 3.26Å; V372-I376 WeakPolarHBondContact O-CG1 3.37Å; V372-I376 PolarHBondContact O-N 2.81Å |
| 373 | E | 69.9 | Low | 60.9 | Low | 79 Ų | 79 | 102 Ų | 102 | 37% | 0.369 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.1 | -48.1 | 179.2 | -65.8 | 163.2 | -139.2 | 0 | 0 | 110.3 | D371 T375 I376 L377 | D371-E373 VanDerWaalsContact C-N 3.25Å; D371-E373 PolarHBondContact O-N 3.21Å; D371-E373 WeakPolarHBondContact OD1-CB 3.48Å; D371-E373 PolarHBondContact OD1-N 2.79Å; D371-E373 VanDerWaalsContact OD1-N 3.08Å; E373-T375 VanDerWaalsContact C-N 3.25Å; E373-T375 PolarHBondContact O-N 3.02Å; E373-I376 PolarHBondContact O-N 3.2Å; E373-L377 WeakPolarHBondContact O-CB 3.33Å; E373-L377 VanDerWaalsContact O-CG 3.27Å; E373-L377 WeakPolarHBondContact O-CG 3.46Å; E373-L377 PolarHBondContact O-N 3.38Å |
| 374 | K | 75.4 | Confident | 62.5 | Low | 142 Ų | 142 | 100.9 Ų | 100.9 | 62% | 0.617 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.4 | -37 | 172 | -69.9 | -176.2 | -178.9 | 81.1 | 0 | 112 | D371 A378 | D371-K374 HydrophobicContact CB-CB 3.97Å; D371-K374 HydrophobicContact CB-CD 4.06Å; D371-K374 HydrophobicContact CB-CG 4.1Å; D371-K374 PolarHBondContact O-N 3.21Å; D371-K374 PolarHBondContact OD1-N 3.49Å; D371-K374 WeakPolarHBondContact OD2-CD 3.36Å; D371-K374 WeakPolarHBondContact OD2-CG 3.32Å; D371-K374 IonicContact OD2-NZ 2.55Å; D371-K374 PolarHBondContact OD2-NZ 2.97Å; K374-A378 VanDerWaalsContact O-CB 3.28Å; K374-A378 WeakPolarHBondContact O-CB 3.5Å; K374-A378 PolarHBondContact O-N 3.08Å |
| 375 | T | 71.7 | Confident | 64 | Low | 53 Ų | 53 | 97.3 Ų | 97.3 | 33% | 0.325 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.4 | -49.3 | 177.7 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | D371 V372 E373 A378 W379 | D371-T375 WeakPolarHBondContact O-CB 3.42Å; D371-T375 PolarHBondContact O-N 3.22Å; D371-T375 PolarHBondContact O-OG1 3.29Å; V372-T375 PolarHBondContact O-N 3.24Å; E373-T375 VanDerWaalsContact C-N 3.25Å; E373-T375 PolarHBondContact O-N 3.02Å; T375-A378 PolarHBondContact O-N 2.95Å; T375-W379 VanDerWaalsContact O-CD1 3.3Å; T375-W379 PolarHBondContact O-N 2.91Å; T375-W379 VanDerWaalsContact O-N 3.09Å |
| 376 | I | 74.1 | Confident | 65.2 | Low | 21 Ų | 21 | 95.6 Ų | 95.6 | 11% | 0.108 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -61 | -48.3 | 177.4 | -70.9 | 168.5 | 0 | 0 | 0 | 110.2 | V372 E373 A378 W379 T380 V454 | V372-I376 HydrophobicContact CG1-CD1 3.84Å; V372-I376 HydrophobicContact CG1-CG1 4.44Å; V372-I376 WeakPolarHBondContact O-CB 3.43Å; V372-I376 VanDerWaalsContact O-CG1 3.26Å; V372-I376 WeakPolarHBondContact O-CG1 3.37Å; V372-I376 PolarHBondContact O-N 2.81Å; E373-I376 PolarHBondContact O-N 3.2Å; I376-A378 PolarHBondContact O-N 3.11Å; I376-W379 PolarHBondContact O-N 3.13Å; I376-W379 VanDerWaalsContact O-N 3.16Å; I376-T380 PolarHBondContact O-N 2.71Å; I376-T380 PolarHBondContact O-OG1 2.99Å; I376-T380 VanDerWaalsContact O-OG1 3.08Å; I376-V454 HydrophobicContact CD1-CG1 3.81Å |
| 377 | L | 73 | Confident | 66.1 | Low | 91 Ų | 91 | 96.9 Ų | 96.9 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 178.3 | -72.8 | 167.8 | 0 | 0 | 0 | 112.6 | E373 W379 T380 L381 | E373-L377 WeakPolarHBondContact O-CB 3.33Å; E373-L377 VanDerWaalsContact O-CG 3.27Å; E373-L377 WeakPolarHBondContact O-CG 3.46Å; E373-L377 PolarHBondContact O-N 3.38Å; L377-W379 VanDerWaalsContact C-N 3.33Å; L377-W379 PolarHBondContact O-N 3.36Å; L377-T380 PolarHBondContact O-N 3.3Å; L377-L381 WeakPolarHBondContact O-CG 3.49Å; L377-L381 PolarHBondContact O-N 3.29Å |
| 378 | A | 74 | Confident | 67.1 | Low | 58 Ų | 58 | 96.4 Ų | 96.4 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K374 T375 I376 C382 | K374-A378 VanDerWaalsContact O-CB 3.28Å; K374-A378 WeakPolarHBondContact O-CB 3.5Å; K374-A378 PolarHBondContact O-N 3.08Å; T375-A378 PolarHBondContact O-N 2.95Å; I376-A378 PolarHBondContact O-N 3.11Å; A378-C382 VanDerWaalsContact O-CB 3.26Å; A378-C382 WeakPolarHBondContact O-CB 3.26Å; A378-C382 PolarHBondContact O-N 3.31Å; A378-C382 VanDerWaalsContact O-N 3.13Å |
| 379 | W | 71.2 | Confident | 67.2 | Low | 161 Ų | 161 | 93.8 Ų | 93.8 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.6 | -37.8 | 174.8 | -85.5 | 88.9 | 0 | 0 | 0 | 112.8 | T375 I376 L377 C382 A383 | T375-W379 VanDerWaalsContact O-CD1 3.3Å; T375-W379 PolarHBondContact O-N 2.91Å; T375-W379 VanDerWaalsContact O-N 3.09Å; I376-W379 PolarHBondContact O-N 3.13Å; I376-W379 VanDerWaalsContact O-N 3.16Å; L377-W379 VanDerWaalsContact C-N 3.33Å; L377-W379 PolarHBondContact O-N 3.36Å; W379-C382 PolarHBondContact O-N 2.98Å; W379-A383 WeakPolarHBondContact O-CB 3.35Å; W379-A383 PolarHBondContact O-N 2.91Å |
| 380 | T | 72.4 | Confident | 67.1 | Low | 52 Ų | 52 | 88.6 Ų | 88.6 | 32% | 0.319 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -48.7 | 174.5 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | I376 L377 C382 A383 E384 | I376-T380 PolarHBondContact O-N 2.71Å; I376-T380 PolarHBondContact O-OG1 2.99Å; I376-T380 VanDerWaalsContact O-OG1 3.08Å; L377-T380 PolarHBondContact O-N 3.3Å; T380-C382 VanDerWaalsContact C-N 3.29Å; T380-C382 PolarHBondContact O-N 2.93Å; T380-A383 WeakPolarHBondContact O-CB 3.35Å; T380-A383 PolarHBondContact O-N 2.7Å; T380-A383 VanDerWaalsContact O-N 3.11Å; T380-E384 PolarHBondContact O-N 3.41Å |
| 381 | L | 73 | Confident | 66.8 | Low | 111 Ų | 111 | 87.6 Ų | 87.6 | 58% | 0.581 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.7 | -35.2 | 177.6 | -69.5 | 168.5 | 0 | 0 | 0 | 112.5 | L377 S385 | L377-L381 WeakPolarHBondContact O-CG 3.49Å; L377-L381 PolarHBondContact O-N 3.29Å; L381-S385 PolarHBondContact O-N 3.24Å; L381-S385 VanDerWaalsContact O-N 3.11Å; L381-S385 PolarHBondContact O-OG 3.48Å |
| 382 | C | 73.7 | Confident | 65.8 | Low | 71 Ų | 71 | 90.3 Ų | 90.3 | 48% | 0.48 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.4 | -33.3 | 174.5 | -169.1 | 0 | 0 | 0 | 0 | 112.6 | A378 W379 T380 S385 S386 | A378-C382 VanDerWaalsContact O-CB 3.26Å; A378-C382 WeakPolarHBondContact O-CB 3.26Å; A378-C382 PolarHBondContact O-N 3.31Å; A378-C382 VanDerWaalsContact O-N 3.13Å; W379-C382 PolarHBondContact O-N 2.98Å; T380-C382 VanDerWaalsContact C-N 3.29Å; T380-C382 PolarHBondContact O-N 2.93Å; C382-S385 PolarHBondContact O-OG 3.1Å; C382-S386 WeakPolarHBondContact O-CB 3.35Å; C382-S386 PolarHBondContact O-N 3.06Å; C382-S386 PolarHBondContact O-OG 3.37Å |
| 383 | A | 64.9 | Low | 64.7 | Low | 49 Ų | 49 | 90.1 Ų | 90.1 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70 | -40.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | W379 T380 S386 F387 | W379-A383 WeakPolarHBondContact O-CB 3.35Å; W379-A383 PolarHBondContact O-N 2.91Å; T380-A383 WeakPolarHBondContact O-CB 3.35Å; T380-A383 PolarHBondContact O-N 2.7Å; T380-A383 VanDerWaalsContact O-N 3.11Å; A383-S386 PolarHBondContact O-OG 2.88Å; A383-F387 WeakPolarHBondContact O-CD2 3.48Å; A383-F387 PolarHBondContact O-N 3.31Å |
| 384 | E | 68.3 | Low | 63.7 | Low | 107 Ų | 107 | 95.5 Ų | 95.5 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.1 | -50.9 | 175.6 | -70 | -170.2 | 130.9 | 0 | 0 | 111.7 | T380 S386 F387 E388 | T380-E384 PolarHBondContact O-N 3.41Å; E384-S386 PolarHBondContact O-N 2.81Å; E384-F387 PolarHBondContact O-N 3.49Å; E384-E388 PolarHBondContact O-N 3.35Å |
| 385 | S | 67.4 | Low | 62.3 | Low | 57 Ų | 57 | 91.9 Ų | 91.9 | 40% | 0.399 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | -178.2 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | L381 C382 F387 E388 D389 | L381-S385 PolarHBondContact O-N 3.24Å; L381-S385 VanDerWaalsContact O-N 3.11Å; L381-S385 PolarHBondContact O-OG 3.48Å; C382-S385 PolarHBondContact O-OG 3.1Å; S385-F387 PolarHBondContact O-N 3.05Å; S385-E388 PolarHBondContact O-N 3.47Å; S385-E388 VanDerWaalsContact O-N 3.13Å; S385-D389 PolarHBondContact O-N 3.41Å; S385-D389 VanDerWaalsContact O-N 3.08Å |
| 386 | S | 63.5 | Low | 61.2 | Low | 67 Ų | 67 | 98.6 Ų | 98.6 | 47% | 0.469 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.5 | -16.3 | 179.5 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | C382 A383 E384 | C382-S386 WeakPolarHBondContact O-CB 3.35Å; C382-S386 PolarHBondContact O-N 3.06Å; C382-S386 PolarHBondContact O-OG 3.37Å; A383-S386 PolarHBondContact O-OG 2.88Å; E384-S386 PolarHBondContact O-N 2.81Å |
| 387 | F | 55.6 | Low | 59.9 | Low | 160 Ų | 160 | 105.8 Ų | 105.8 | 70% | 0.702 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -84 | -40.2 | 167.2 | -95.6 | -93.1 | 0 | 0 | 0 | 112.9 | A383 E384 S385 S390 | A383-F387 WeakPolarHBondContact O-CD2 3.48Å; A383-F387 PolarHBondContact O-N 3.31Å; E384-F387 PolarHBondContact O-N 3.49Å; S385-F387 PolarHBondContact O-N 3.05Å; F387-S390 PolarHBondContact O-N 2.69Å |
| 388 | E | 55.8 | Low | 58.9 | Low | 147 Ų | 147 | 110.6 Ų | 110.6 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.9 | -37.6 | -178 | -67.3 | -164.7 | 158.1 | 0 | 0 | 113.1 | E384 S385 S390 A391 | E384-E388 PolarHBondContact O-N 3.35Å; S385-E388 PolarHBondContact O-N 3.47Å; S385-E388 VanDerWaalsContact O-N 3.13Å; E388-S390 PolarHBondContact O-N 2.66Å; E388-A391 PolarHBondContact O-N 2.67Å |
| 389 | D | 54.2 | Low | 57.5 | Low | 119 Ų | 119 | 113.8 Ų | 113.8 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -65.2 | -21.4 | 177.8 | -79 | -24.2 | 0 | 0 | 0 | 113.6 | S385 A391 I392 | S385-D389 PolarHBondContact O-N 3.41Å; S385-D389 VanDerWaalsContact O-N 3.08Å; D389-A391 PolarHBondContact O-N 2.64Å; D389-I392 PolarHBondContact O-N 3.36Å |
| 390 | S | 53.5 | Low | 56.3 | Low | 81 Ų | 81 | 112.9 Ų | 112.9 | 57% | 0.566 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -71.1 | -7.9 | -179.7 | -78.8 | 0 | 0 | 0 | 0 | 114.7 | F387 E388 | F387-S390 PolarHBondContact O-N 2.69Å; E388-S390 PolarHBondContact O-N 2.66Å |
| 391 | A | 51.6 | Low | 55 | Low | 80 Ų | 80 | 116 Ų | 116 | 66% | 0.661 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -82.8 | -21.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E388 D389 G393 | E388-A391 PolarHBondContact O-N 2.67Å; D389-A391 PolarHBondContact O-N 2.64Å; A391-G393 PolarHBondContact O-N 2.79Å |
| 392 | I | 50.9 | Low | 53.8 | Low | 118 Ų | 118 | 117.8 Ų | 117.8 | 61% | 0.605 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -85.5 | 96.4 | 177.9 | -57.2 | -179.9 | 0 | 0 | 0 | 108.5 | D389 E394 | D389-I392 PolarHBondContact O-N 3.36Å; I392-E394 PolarHBondContact O-N 3.02Å |
| 393 | G | 45 | Very low | 52.6 | Low | 69 Ų | 69 | 118.3 Ų | 118.3 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | trans | -70.9 | 109.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A391 G395 | A391-G393 PolarHBondContact O-N 2.79Å; G393-G395 PolarHBondContact O-N 3.43Å | ||
| 394 | E | 48.9 | Very low | 52.1 | Low | 191 Ų | 191 | 121.4 Ų | 121.4 | 89% | 0.893 | 68% | 0.678 | S | S | * | * | trans | -65.6 | 82.6 | 165.3 | -68.7 | -173.4 | 132.1 | 0 | 0 | 110.1 | I392 E396 | I392-E394 PolarHBondContact O-N 3.02Å; E394-E396 PolarHBondContact O-N 3.11Å | ||
| 395 | G | 45.5 | Very low | 51.6 | Low | 66 Ų | 66 | 122.4 Ų | 122.4 | 68% | 0.68 | 69% | 0.687 | S | S | * | * | trans | -74.3 | 110 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | G393 E397 | G393-G395 PolarHBondContact O-N 3.43Å; G395-E397 PolarHBondContact O-N 2.97Å | ||
| 396 | E | 48.5 | Very low | 51.3 | Low | 195 Ų | 195 | 124.6 Ų | 124.6 | 91% | 0.911 | 70% | 0.698 | S | S | * | * | trans | -68.7 | 70.2 | 166.5 | -67.8 | -171.7 | 127 | 0 | 0 | 110 | E394 K398 | E394-E396 PolarHBondContact O-N 3.11Å; E396-K398 PolarHBondContact O-N 3.41Å; E396-K398 VanDerWaalsContact O-N 3.08Å | ||
| 397 | E | 47.5 | Very low | 51.4 | Low | 171 Ų | 171 | 123.9 Ų | 123.9 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | trans | -68 | 108.4 | -177.2 | -172.3 | 172.7 | -164.1 | 0 | 0 | 110.5 | G395 V399 | G395-E397 PolarHBondContact O-N 2.97Å; E397-V399 PolarHBondContact O-N 2.98Å | ||
| 398 | K | 50.8 | Low | 52.2 | Low | 193 Ų | 193 | 123 Ų | 123 | 84% | 0.839 | 69% | 0.694 | S | S | * | * | trans | -67.2 | 100.3 | 169.6 | -72 | 179.7 | -180 | 173.7 | 0 | 108.9 | E396 N400 | E396-K398 PolarHBondContact O-N 3.41Å; E396-K398 VanDerWaalsContact O-N 3.08Å; K398-N400 PolarHBondContact O-N 3.4Å | ||
| 399 | V | 44.7 | Very low | 53.2 | Low | 124 Ų | 124 | 121.7 Ų | 121.7 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | trans | -39 | 108.5 | 179.6 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | E397 T401 | E397-V399 PolarHBondContact O-N 2.98Å; V399-T401 HydrophobicContact CG1-CG2 4.04Å | ||
| 400 | N | 46.1 | Very low | 54.6 | Low | 142 Ų | 142 | 123.5 Ų | 123.5 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | trans | -124.4 | 98.4 | 171.3 | -141.3 | 8.6 | 0 | 0 | 0 | 106.7 | K398 I402 | K398-N400 PolarHBondContact O-N 3.4Å; N400-I402 PolarHBondContact O-N 3.32Å | ||
| 401 | T | 44.9 | Very low | 56 | Low | 118 Ų | 118 | 128.1 Ų | 128.1 | 72% | 0.724 | 70% | 0.699 | S | S | * | * | trans | -71.3 | 88.4 | -159.7 | 19 | 0 | 0 | 0 | 0 | 113.8 | V399 | V399-T401 HydrophobicContact CG1-CG2 4.04Š| ||
| 402 | I | 49 | Very low | 57.7 | Low | 148 Ų | 148 | 129.4 Ų | 129.4 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -134.2 | 101.6 | 171.7 | -53.7 | -178.3 | 0 | 0 | 0 | 110.3 | N400 | N400-I402 PolarHBondContact O-N 3.32Š|
| 403 | S | 47.7 | Very low | 59.3 | Low | 82 Ų | 82 | 130.4 Ų | 130.4 | 57% | 0.573 | 69% | 0.694 | S | S | * | * | trans | 59.5 | 69.8 | 164.8 | -169.5 | 0 | 0 | 0 | 0 | 117.9 | N405 | S403-N405 PolarHBondContact O-N 3.45Å; S403-N405 VanDerWaalsContact O-N 3.12Å | ||
| 404 | N | 54.8 | Low | 61.2 | Low | 115 Ų | 115 | 132 Ų | 132 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -26.1 | 176.9 | -65.9 | 17.6 | 0 | 0 | 0 | 115.1 | T406 A407 | N404-T406 PolarHBondContact O-N 2.84Å; N404-T406 VanDerWaalsContact O-N 3.13Å; N404-A407 PolarHBondContact O-N 2.88Å; N404-A407 VanDerWaalsContact O-N 3.09Å |
| 405 | N | 58.5 | Low | 63 | Low | 128 Ų | 128 | 128.3 Ų | 128.3 | 68% | 0.684 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -60 | -29.3 | -169.5 | -61.5 | 22.3 | 0 | 0 | 0 | 114 | S403 A407 | S403-N405 PolarHBondContact O-N 3.45Å; S403-N405 VanDerWaalsContact O-N 3.12Å; N405-A407 VanDerWaalsContact C-N 3.27Å; N405-A407 PolarHBondContact O-N 3.16Å |
| 406 | T | 60.2 | Low | 65.1 | Low | 102 Ų | 102 | 130.1 Ų | 130.1 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.4 | -12.7 | -178 | -33.6 | 0 | 0 | 0 | 0 | 113.1 | N404 | N404-T406 PolarHBondContact O-N 2.84Å; N404-T406 VanDerWaalsContact O-N 3.13Å |
| 407 | A | 65 | Low | 67 | Low | 52 Ų | 52 | 126.2 Ų | 126.2 | 43% | 0.43 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -89.8 | -19.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N404 N405 | N404-A407 PolarHBondContact O-N 2.88Å; N404-A407 VanDerWaalsContact O-N 3.09Å; N405-A407 VanDerWaalsContact C-N 3.27Å; N405-A407 PolarHBondContact O-N 3.16Å |
| 408 | E | 73.2 | Confident | 68.7 | Low | 141 Ų | 141 | 124.1 Ų | 124.1 | 66% | 0.659 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -84.9 | -47 | -178 | -62.7 | -170 | 142.5 | 0 | 0 | 111.6 | K410 R411 E412 | E408-K410 PolarHBondContact O-N 3.09Å; E408-K410 VanDerWaalsContact O-N 3.1Å; E408-R411 WeakPolarHBondContact O-CB 3.5Å; E408-R411 PolarHBondContact O-N 2.92Å; E408-E412 PolarHBondContact O-N 2.9Å; E408-E412 VanDerWaalsContact O-N 3.14Å |
| 409 | D | 77.1 | Confident | 70.6 | Confident | 121 Ų | 121 | 121.4 Ų | 121.4 | 65% | 0.647 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -46.7 | -43.9 | 173.8 | -76 | -12.9 | 0 | 0 | 0 | 112.1 | R411 E412 E413 | D409-R411 PolarHBondContact O-N 3.23Å; D409-E412 PolarHBondContact O-N 3.37Å; D409-E413 PolarHBondContact O-N 2.92Å |
| 410 | K | 83 | Confident | 72.5 | Confident | 156 Ų | 156 | 120 Ų | 120 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.4 | -28.2 | -176.7 | -156.4 | 174.4 | -174.1 | -178 | 0 | 113.4 | E408 E414 | E408-K410 PolarHBondContact O-N 3.09Å; E408-K410 VanDerWaalsContact O-N 3.1Å; K410-E414 PolarHBondContact O-N 3.5Å |
| 411 | R | 83.4 | Confident | 74.1 | Confident | 179 Ų | 179 | 119.2 Ų | 119.2 | 68% | 0.675 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -74.4 | -38.2 | 172.1 | -63.4 | -179.5 | -161.9 | -162.3 | 3.8 | 111.1 | E408 D409 E413 E414 L415 | E408-R411 WeakPolarHBondContact O-CB 3.5Å; E408-R411 PolarHBondContact O-N 2.92Å; D409-R411 PolarHBondContact O-N 3.23Å; R411-E413 VanDerWaalsContact C-N 3.34Å; R411-E414 PolarHBondContact O-N 2.85Å; R411-L415 WeakPolarHBondContact O-CB 3.45Å; R411-L415 WeakPolarHBondContact O-CG 3.43Å; R411-L415 PolarHBondContact O-N 3.48Å |
| 412 | E | 86.2 | Confident | 75.7 | Confident | 106 Ų | 106 | 118.9 Ų | 118.9 | 50% | 0.495 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68 | -35.8 | 177.9 | -159.3 | -177.4 | 133.5 | 0 | 0 | 111.5 | E408 D409 K416 | E408-E412 PolarHBondContact O-N 2.9Å; E408-E412 VanDerWaalsContact O-N 3.14Å; D409-E412 PolarHBondContact O-N 3.37Å; E412-K416 WeakPolarHBondContact O-CB 3.34Å; E412-K416 VanDerWaalsContact O-CG 3.3Å; E412-K416 WeakPolarHBondContact O-CG 3.32Å; E412-K416 PolarHBondContact O-N 2.88Å; E412-K416 WeakPolarHBondContact OE1-CE 3.42Å; E412-K416 IonicContact OE1-NZ 2.67Å; E412-K416 PolarHBondContact OE1-NZ 2.94Å |
| 413 | E | 85.1 | Confident | 77.2 | Confident | 140 Ų | 140 | 115 Ų | 115 | 65% | 0.654 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65 | -44.5 | 171.5 | -168.9 | 173.9 | -144 | 0 | 0 | 112.4 | D409 R411 L415 K416 L417 | D409-E413 PolarHBondContact O-N 2.92Å; R411-E413 VanDerWaalsContact C-N 3.34Å; E413-L415 PolarHBondContact O-N 3.28Å; E413-K416 PolarHBondContact O-N 3.42Å; E413-L417 WeakPolarHBondContact O-CB 3.29Å; E413-L417 PolarHBondContact O-N 3.47Å |
| 414 | E | 84.1 | Confident | 78.7 | Confident | 101 Ų | 101 | 117.3 Ų | 117.3 | 47% | 0.472 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.3 | -40.3 | 176.1 | -163.1 | -166.1 | 137.6 | 0 | 0 | 112.1 | K410 R411 L417 R418 | K410-E414 PolarHBondContact O-N 3.5Å; R411-E414 PolarHBondContact O-N 2.85Å; E414-L417 WeakPolarHBondContact O-CB 3.36Å; E414-L417 PolarHBondContact O-N 2.9Å; E414-R418 WeakPolarHBondContact O-CG 3.41Å; E414-R418 PolarHBondContact O-N 3.02Å; E414-R418 IonicContact OE1-CZ 2.59Å; E414-R418 IonicContact OE1-NE 2.6Å; E414-R418 PolarHBondContact OE1-NE 3.09Å; E414-R418 IonicContact OE1-NH2 3.38Å; E414-R418 PolarHBondContact OE1-NH2 2.82Å |
| 415 | L | 88 | Confident | 79.7 | Confident | 115 Ų | 115 | 118.4 Ų | 118.4 | 60% | 0.602 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.2 | -45.9 | 175.3 | -78.8 | 166.6 | 0 | 0 | 0 | 111.7 | R411 E413 L417 R418 E419 | R411-L415 WeakPolarHBondContact O-CB 3.45Å; R411-L415 WeakPolarHBondContact O-CG 3.43Å; R411-L415 PolarHBondContact O-N 3.48Å; E413-L415 PolarHBondContact O-N 3.28Å; L415-L417 VanDerWaalsContact C-N 3.27Å; L415-L417 PolarHBondContact O-N 3.12Å; L415-R418 PolarHBondContact O-N 2.95Å; L415-E419 WeakPolarHBondContact O-CB 3.49Å; L415-E419 PolarHBondContact O-N 3.44Å |
| 416 | K | 90.2 | Very high | 80.6 | Confident | 104 Ų | 104 | 119.9 Ų | 119.9 | 45% | 0.452 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.2 | -34.4 | 174.5 | -74.3 | 167.4 | -175.7 | 164.5 | 0 | 112.2 | E412 E413 N420 | E412-K416 WeakPolarHBondContact O-CB 3.34Å; E412-K416 VanDerWaalsContact O-CG 3.3Å; E412-K416 WeakPolarHBondContact O-CG 3.32Å; E412-K416 PolarHBondContact O-N 2.88Å; E412-K416 WeakPolarHBondContact OE1-CE 3.42Å; E412-K416 IonicContact OE1-NZ 2.67Å; E412-K416 PolarHBondContact OE1-NZ 2.94Å; E413-K416 PolarHBondContact O-N 3.42Å; K416-N420 WeakPolarHBondContact O-CB 3.42Å; K416-N420 PolarHBondContact O-N 3.4Å; K416-N420 VanDerWaalsContact O-N 3.09Å; K416-N420 PolarHBondContact O-ND2 3.41Å |
| 417 | L | 87.9 | Confident | 81.2 | Confident | 113 Ų | 113 | 121.9 Ų | 121.9 | 59% | 0.592 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.9 | -43.8 | 174.9 | -172.7 | 63.8 | 0 | 0 | 0 | 111.7 | E413 E414 L415 N420 M421 | E413-L417 WeakPolarHBondContact O-CB 3.29Å; E413-L417 PolarHBondContact O-N 3.47Å; E414-L417 WeakPolarHBondContact O-CB 3.36Å; E414-L417 PolarHBondContact O-N 2.9Å; L415-L417 VanDerWaalsContact C-N 3.27Å; L415-L417 PolarHBondContact O-N 3.12Å; L417-N420 PolarHBondContact O-N 3.45Å; L417-M421 WeakPolarHBondContact O-CB 3.33Å; L417-M421 VanDerWaalsContact O-CG 3.24Å; L417-M421 WeakPolarHBondContact O-CG 3.43Å; L417-M421 PolarHBondContact O-N 2.96Å |
| 418 | R | 83.6 | Confident | 81.1 | Confident | 126 Ų | 126 | 125.9 Ų | 125.9 | 48% | 0.475 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.2 | -44.3 | 174.3 | -73.7 | -176.7 | -176.3 | -135.5 | 3.8 | 112 | E414 L415 M421 L422 | E414-R418 WeakPolarHBondContact O-CG 3.41Å; E414-R418 PolarHBondContact O-N 3.02Å; E414-R418 IonicContact OE1-CZ 2.59Å; E414-R418 IonicContact OE1-NE 2.6Å; E414-R418 PolarHBondContact OE1-NE 3.09Å; E414-R418 IonicContact OE1-NH2 3.38Å; E414-R418 PolarHBondContact OE1-NH2 2.82Å; L415-R418 PolarHBondContact O-N 2.95Å; R418-M421 WeakPolarHBondContact O-CB 3.46Å; R418-M421 PolarHBondContact O-N 2.87Å; R418-L422 WeakPolarHBondContact O-CG 3.48Å; R418-L422 PolarHBondContact O-N 3.32Å |
| 419 | E | 88.8 | Confident | 80.2 | Confident | 136 Ų | 136 | 123.9 Ų | 123.9 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61 | -48.3 | 177.4 | -171.2 | 171.7 | -145.6 | 0 | 0 | 111 | L415 M421 L422 D423 | L415-E419 WeakPolarHBondContact O-CB 3.49Å; L415-E419 PolarHBondContact O-N 3.44Å; E419-M421 VanDerWaalsContact C-N 3.28Å; E419-M421 PolarHBondContact O-N 3.4Å; E419-L422 PolarHBondContact O-N 3.16Å; E419-D423 WeakPolarHBondContact O-CB 3.27Å; E419-D423 PolarHBondContact O-N 3.11Å |
| 420 | N | 84.6 | Confident | 78.8 | Confident | 95 Ų | 95 | 124.2 Ų | 124.2 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61 | -33.1 | 174.5 | -85.9 | -85.5 | 0 | 0 | 0 | 113.6 | K416 L417 K424 | K416-N420 WeakPolarHBondContact O-CB 3.42Å; K416-N420 PolarHBondContact O-N 3.4Å; K416-N420 VanDerWaalsContact O-N 3.09Å; K416-N420 PolarHBondContact O-ND2 3.41Å; L417-N420 PolarHBondContact O-N 3.45Å; N420-K424 WeakPolarHBondContact O-CB 3.35Å; N420-K424 VanDerWaalsContact O-CG 3.29Å; N420-K424 WeakPolarHBondContact O-CG 3.26Å; N420-K424 PolarHBondContact O-N 2.78Å |
| 421 | M | 79.8 | Confident | 77.4 | Confident | 125 Ų | 125 | 123.3 Ų | 123.3 | 62% | 0.616 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.1 | -46.1 | 175.3 | -76.8 | -80.7 | -76.5 | 0 | 0 | 111.8 | L417 R418 E419 D423 K424 K425 | L417-M421 WeakPolarHBondContact O-CB 3.33Å; L417-M421 VanDerWaalsContact O-CG 3.24Å; L417-M421 WeakPolarHBondContact O-CG 3.43Å; L417-M421 PolarHBondContact O-N 2.96Å; R418-M421 WeakPolarHBondContact O-CB 3.46Å; R418-M421 PolarHBondContact O-N 2.87Å; E419-M421 VanDerWaalsContact C-N 3.28Å; E419-M421 PolarHBondContact O-N 3.4Å; M421-D423 VanDerWaalsContact C-N 3.32Å; M421-D423 PolarHBondContact O-N 3.01Å; M421-K424 PolarHBondContact O-N 2.62Å; M421-K425 PolarHBondContact O-N 3.4Å |
| 422 | L | 79 | Confident | 75.9 | Confident | 112 Ų | 112 | 118.9 Ų | 118.9 | 59% | 0.586 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.5 | -40.5 | 175.9 | -72.6 | 169.7 | 0 | 0 | 0 | 111.6 | R418 E419 K425 K426 | R418-L422 WeakPolarHBondContact O-CG 3.48Å; R418-L422 PolarHBondContact O-N 3.32Å; E419-L422 PolarHBondContact O-N 3.16Å; L422-K425 PolarHBondContact O-N 3.07Å; L422-K426 WeakPolarHBondContact O-CG 3.35Å; L422-K426 PolarHBondContact O-N 3.31Å |
| 423 | D | 81.4 | Confident | 74.5 | Confident | 65 Ų | 65 | 118 Ų | 118 | 35% | 0.348 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.2 | -33 | -179.5 | -139.6 | 49.5 | 0 | 0 | 0 | 112.2 | E419 M421 K427 | E419-D423 WeakPolarHBondContact O-CB 3.27Å; E419-D423 PolarHBondContact O-N 3.11Å; M421-D423 VanDerWaalsContact C-N 3.32Å; M421-D423 PolarHBondContact O-N 3.01Å; D423-K427 WeakPolarHBondContact O-CB 3.36Å; D423-K427 WeakPolarHBondContact O-CD 3.49Å; D423-K427 VanDerWaalsContact O-CG 3.28Å; D423-K427 WeakPolarHBondContact O-CG 3.3Å; D423-K427 PolarHBondContact O-N 3.33Å; D423-K427 VanDerWaalsContact O-N 3.09Å; D423-K427 WeakPolarHBondContact OD2-CE 3.23Å; D423-K427 IonicContact OD2-NZ 2.64Å; D423-K427 PolarHBondContact OD2-NZ 3.4Å |
| 424 | K | 79.4 | Confident | 73.1 | Confident | 132 Ų | 132 | 114.8 Ų | 114.8 | 57% | 0.574 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.4 | -42.2 | 166.1 | -76.7 | 173.1 | -179.3 | 176.5 | 0 | 112.4 | N420 M421 K426 K427 N428 | N420-K424 WeakPolarHBondContact O-CB 3.35Å; N420-K424 VanDerWaalsContact O-CG 3.29Å; N420-K424 WeakPolarHBondContact O-CG 3.26Å; N420-K424 PolarHBondContact O-N 2.78Å; M421-K424 PolarHBondContact O-N 2.62Å; K424-K426 VanDerWaalsContact C-N 3.33Å; K424-K426 PolarHBondContact O-N 2.89Å; K424-K427 PolarHBondContact O-N 3.08Å; K424-N428 WeakPolarHBondContact O-CB 3.36Å; K424-N428 PolarHBondContact O-N 3.42Å |
| 425 | K | 76 | Confident | 71.8 | Confident | 138 Ų | 138 | 116.3 Ų | 116.3 | 60% | 0.6 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.7 | -41.2 | 176.8 | -162.5 | 175.9 | -177.7 | -177 | 0 | 110.7 | M421 L422 N429 | M421-K425 PolarHBondContact O-N 3.4Å; L422-K425 PolarHBondContact O-N 3.07Å; K425-N429 WeakPolarHBondContact O-CB 3.44Å; K425-N429 PolarHBondContact O-N 3.39Å |
| 426 | K | 76 | Confident | 70.4 | Confident | 158 Ų | 158 | 112.7 Ų | 112.7 | 69% | 0.687 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -39.2 | 172.1 | -75.2 | 177.6 | 179.9 | 173.2 | 0 | 113.6 | L422 K424 | L422-K426 WeakPolarHBondContact O-CG 3.35Å; L422-K426 PolarHBondContact O-N 3.31Å; K424-K426 VanDerWaalsContact C-N 3.33Å; K424-K426 PolarHBondContact O-N 2.89Å |
| 427 | K | 74.2 | Confident | 68.8 | Low | 145 Ų | 145 | 111.6 Ų | 111.6 | 63% | 0.63 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -77.3 | -27.9 | -178.5 | -75 | 162.5 | -178.4 | 156.9 | 0 | 113.8 | D423 K424 | D423-K427 WeakPolarHBondContact O-CB 3.36Å; D423-K427 WeakPolarHBondContact O-CD 3.49Å; D423-K427 VanDerWaalsContact O-CG 3.28Å; D423-K427 WeakPolarHBondContact O-CG 3.3Å; D423-K427 PolarHBondContact O-N 3.33Å; D423-K427 VanDerWaalsContact O-N 3.09Å; D423-K427 WeakPolarHBondContact OD2-CE 3.23Å; D423-K427 IonicContact OD2-NZ 2.64Å; D423-K427 PolarHBondContact OD2-NZ 3.4Å; K424-K427 PolarHBondContact O-N 3.08Å |
| 428 | N | 62.4 | Low | 67.4 | Low | 136 Ų | 136 | 109.8 Ų | 109.8 | 73% | 0.727 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -93.1 | -20 | 178.4 | -72.2 | 12.3 | 0 | 0 | 0 | 113.5 | K424 T430 | K424-N428 WeakPolarHBondContact O-CB 3.36Å; K424-N428 PolarHBondContact O-N 3.42Å; N428-T430 VanDerWaalsContact C-N 3.28Å; N428-T430 PolarHBondContact O-N 2.87Å |
| 429 | N | 54.3 | Low | 66.2 | Low | 98 Ų | 98 | 109.9 Ų | 109.9 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | trans | -81.4 | 72.6 | 179.5 | -166.9 | 22 | 0 | 0 | 0 | 112.2 | K425 Q431 | K425-N429 WeakPolarHBondContact O-CB 3.44Å; K425-N429 PolarHBondContact O-N 3.39Å; N429-Q431 PolarHBondContact O-N 3.25Å; N429-Q431 WeakPolarHBondContact OD1-CB 3.29Å; N429-Q431 PolarHBondContact OD1-N 2.88Å | ||
| 430 | T | 48 | Very low | 64.9 | Low | 129 Ų | 129 | 109.4 Ų | 109.4 | 79% | 0.791 | 54% | 0.54 | S | S | * | . | trans | -79.8 | 1 | 171.1 | -39 | 0 | 0 | 0 | 0 | 112.2 | N428 E432 | N428-T430 VanDerWaalsContact C-N 3.28Å; N428-T430 PolarHBondContact O-N 2.87Å; T430-E432 PolarHBondContact O-N 2.87Å | ||
| 431 | Q | 52.1 | Low | 63.5 | Low | 136 Ų | 136 | 108.7 Ų | 108.7 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -76.5 | 116.5 | 173.3 | -168.2 | 175.2 | 13.2 | 0 | 0 | 108.5 | N429 | N429-Q431 PolarHBondContact O-N 3.25Å; N429-Q431 WeakPolarHBondContact OD1-CB 3.29Å; N429-Q431 PolarHBondContact OD1-N 2.88Å |
| 432 | E | 52.4 | Low | 61.8 | Low | 87 Ų | 87 | 105.2 Ų | 105.2 | 41% | 0.407 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 137.7 | 174.5 | -68.5 | -166 | 128.7 | 0 | 0 | 110 | T430 L434 T436 Q437 K440 | T430-E432 PolarHBondContact O-N 2.87Å; E432-L434 PolarHBondContact O-N 3.44Å; E432-T436 HydrophobicContact CB-CG2 4.4Å; E432-Q437 HydrophobicContact CB-CG 4.33Å; E432-Q437 PolarHBondContact O-NE2 3.2Å; E432-K440 IonicContact OE1-NZ 2.85Å; E432-K440 PolarHBondContact OE1-NZ 3.45Å; E432-K440 IonicContact OE2-NZ 3Å; E432-K440 PolarHBondContact OE2-NZ 3.04Å |
| 433 | P | 57.9 | Low | 60.7 | Low | 86 Ų | 86 | 110.1 Ų | 110.1 | 56% | 0.558 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -58 | 143 | -179.7 | 25.6 | -33.7 | 0 | 0 | 0 | 109.5 | Q435 T436 Q437 | P433-Q435 PolarHBondContact O-N 3.47Å; P433-T436 WeakPolarHBondContact O-CA 3.42Å; P433-T436 WeakPolarHBondContact O-CB 3.47Å; P433-T436 PolarHBondContact O-N 3.45Å; P433-Q437 PolarHBondContact O-N 3.46Å |
| 434 | L | 56 | Low | 59.3 | Low | 73 Ų | 73 | 110.2 Ų | 110.2 | 38% | 0.382 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -52.9 | -35.4 | -169.8 | -118.1 | 159.3 | 0 | 0 | 0 | 113.4 | E432 T436 Q437 I438 L457 | E432-L434 PolarHBondContact O-N 3.44Å; L434-T436 VanDerWaalsContact C-N 3.32Å; L434-T436 PolarHBondContact O-N 2.59Å; L434-Q437 PolarHBondContact O-N 3.03Å; L434-Q437 VanDerWaalsContact O-N 3.11Å; L434-I438 HydrophobicContact CD2-CD1 4.02Å; L434-I438 HydrophobicContact CD2-CG1 4.32Å; L434-I438 WeakPolarHBondContact O-CG1 3.41Å; L434-I438 PolarHBondContact O-N 3.5Å; L434-L457 HydrophobicContact CD1-CD2 3.64Å |
| 435 | Q | 56.7 | Low | 58.3 | Low | 133 Ų | 133 | 107.4 Ų | 107.4 | 62% | 0.621 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -53.6 | -43.8 | 172.3 | -176.7 | 172.7 | -4.5 | 0 | 0 | 113 | P433 I438 E439 | P433-Q435 PolarHBondContact O-N 3.47Å; Q435-I438 PolarHBondContact O-N 2.84Å; Q435-E439 HydrophobicContact CG-CG 4.48Å; Q435-E439 VanDerWaalsContact CG-OE1 3.31Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.43Å; Q435-E439 PolarHBondContact NE2-OE1 3.24Å; Q435-E439 WeakPolarHBondContact O-CB 3.44Å; Q435-E439 VanDerWaalsContact O-CG 3.29Å; Q435-E439 WeakPolarHBondContact O-CG 3.48Å; Q435-E439 PolarHBondContact O-N 2.85Å |
| 436 | T | 57.3 | Low | 57.7 | Low | 40 Ų | 40 | 104.3 Ų | 104.3 | 25% | 0.245 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -71.1 | -28.9 | 177.9 | -57.8 | 0 | 0 | 0 | 0 | 112.7 | E432 P433 L434 K440 | E432-T436 HydrophobicContact CB-CG2 4.4Å; P433-T436 WeakPolarHBondContact O-CA 3.42Å; P433-T436 WeakPolarHBondContact O-CB 3.47Å; P433-T436 PolarHBondContact O-N 3.45Å; L434-T436 VanDerWaalsContact C-N 3.32Å; L434-T436 PolarHBondContact O-N 2.59Å; T436-K440 HydrophobicContact CG2-CD 4.12Å; T436-K440 WeakPolarHBondContact O-CB 3.27Å; T436-K440 WeakPolarHBondContact O-CG 3.47Å; T436-K440 PolarHBondContact O-N 2.94Å; T436-K440 VanDerWaalsContact O-N 3.11Å |
| 437 | Q | 57.4 | Low | 57.4 | Low | 81 Ų | 81 | 106 Ų | 106 | 38% | 0.379 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.4 | -41.5 | 173 | -61.4 | -167.7 | 33.1 | 0 | 0 | 111.1 | E432 P433 L434 K440 N441 | E432-Q437 HydrophobicContact CB-CG 4.33Å; E432-Q437 PolarHBondContact O-NE2 3.2Å; P433-Q437 PolarHBondContact O-N 3.46Å; L434-Q437 PolarHBondContact O-N 3.03Å; L434-Q437 VanDerWaalsContact O-N 3.11Å; Q437-K440 PolarHBondContact O-N 3.17Å; Q437-N441 WeakPolarHBondContact O-CB 3.38Å; Q437-N441 PolarHBondContact O-N 3.01Å; Q437-N441 VanDerWaalsContact O-N 3.07Å |
| 438 | I | 57.4 | Low | 57.5 | Low | 74 Ų | 74 | 103.8 Ų | 103.8 | 38% | 0.379 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.1 | -44 | 175.9 | -65 | 162.3 | 0 | 0 | 0 | 110.9 | L434 Q435 K440 N441 | L434-I438 HydrophobicContact CD2-CD1 4.02Å; L434-I438 HydrophobicContact CD2-CG1 4.32Å; L434-I438 WeakPolarHBondContact O-CG1 3.41Å; L434-I438 PolarHBondContact O-N 3.5Å; Q435-I438 PolarHBondContact O-N 2.84Å; I438-K440 VanDerWaalsContact C-N 3.35Å; I438-K440 PolarHBondContact O-N 3.13Å; I438-N441 PolarHBondContact O-N 3.36Å |
| 439 | E | 59.5 | Low | 58.2 | Low | 128 Ų | 128 | 102.4 Ų | 102.4 | 60% | 0.598 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.9 | -30.7 | 177.4 | -75.1 | 170.5 | -174.1 | 0 | 0 | 113.2 | Q435 | Q435-E439 HydrophobicContact CG-CG 4.48Å; Q435-E439 VanDerWaalsContact CG-OE1 3.31Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.43Å; Q435-E439 PolarHBondContact NE2-OE1 3.24Å; Q435-E439 WeakPolarHBondContact O-CB 3.44Å; Q435-E439 VanDerWaalsContact O-CG 3.29Å; Q435-E439 WeakPolarHBondContact O-CG 3.48Å; Q435-E439 PolarHBondContact O-N 2.85Å |
| 440 | K | 60.3 | Low | 59.2 | Low | 126 Ų | 126 | 99.5 Ų | 99.5 | 55% | 0.548 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -78.1 | -31 | 175.8 | -76.6 | 176.1 | -176.8 | -179.9 | 0 | 113.4 | E432 T436 Q437 I438 G442 | E432-K440 IonicContact OE1-NZ 2.85Å; E432-K440 PolarHBondContact OE1-NZ 3.45Å; E432-K440 IonicContact OE2-NZ 3Å; E432-K440 PolarHBondContact OE2-NZ 3.04Å; T436-K440 HydrophobicContact CG2-CD 4.12Å; T436-K440 WeakPolarHBondContact O-CB 3.27Å; T436-K440 WeakPolarHBondContact O-CG 3.47Å; T436-K440 PolarHBondContact O-N 2.94Å; T436-K440 VanDerWaalsContact O-N 3.11Å; Q437-K440 PolarHBondContact O-N 3.17Å; I438-K440 VanDerWaalsContact C-N 3.35Å; I438-K440 PolarHBondContact O-N 3.13Å; K440-G442 PolarHBondContact O-N 3.17Å |
| 441 | N | 56 | Low | 60.8 | Low | 80 Ų | 80 | 94.3 Ų | 94.3 | 43% | 0.428 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -84.3 | 53.7 | 177.3 | -70.3 | 10.4 | 0 | 0 | 0 | 110.9 | Q437 I438 E443 E445 | Q437-N441 WeakPolarHBondContact O-CB 3.38Å; Q437-N441 PolarHBondContact O-N 3.01Å; Q437-N441 VanDerWaalsContact O-N 3.07Å; I438-N441 PolarHBondContact O-N 3.36Å; N441-E443 PolarHBondContact O-N 2.78Å; N441-E445 HydrophobicContact CB-CG 4.05Å; N441-E445 WeakPolarHBondContact CB-OE2 3.22Å; N441-E445 PolarHBondContact ND2-OE2 2.82Å |
| 442 | G | 43.7 | Very low | 62.3 | Low | 52 Ų | 52 | 93.6 Ų | 93.6 | 54% | 0.536 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 122.8 | -160.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | K440 G444 | K440-G442 PolarHBondContact O-N 3.17Å; G442-G444 PolarHBondContact O-N 3.14Å |
| 443 | E | 55.3 | Low | 63.7 | Low | 215 Ų | 215 | 92.1 Ų | 92.1 | 100% | 1.005 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | -11 | 165.1 | -65.2 | -166 | 121.9 | 0 | 0 | 120.1 | N441 | N441-E443 PolarHBondContact O-N 2.78Š|
| 444 | G | 53.9 | Low | 64.7 | Low | 68 Ų | 68 | 89.5 Ų | 89.5 | 70% | 0.701 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | -5.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | G442 | G442-G444 PolarHBondContact O-N 3.14Š|
| 445 | E | 56.8 | Low | 65.9 | Low | 73 Ų | 73 | 92.5 Ų | 92.5 | 34% | 0.341 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -73.1 | 133.1 | 174.8 | -67.3 | -145.2 | 119.5 | 0 | 0 | 111.3 | N441 K449 | N441-E445 HydrophobicContact CB-CG 4.05Å; N441-E445 WeakPolarHBondContact CB-OE2 3.22Å; N441-E445 PolarHBondContact ND2-OE2 2.82Å; E445-K449 HydrophobicContact CB-CD 4.09Å; E445-K449 HydrophobicContact CG-CD 4.18Å; E445-K449 VanDerWaalsContact OE1-CD 3.22Å; E445-K449 WeakPolarHBondContact OE1-CD 3.49Å; E445-K449 WeakPolarHBondContact OE1-CE 3.2Å; E445-K449 IonicContact OE1-NZ 2.82Å; E445-K449 PolarHBondContact OE1-NZ 3.29Å |
| 446 | T | 63.8 | Low | 67.3 | Low | 73 Ų | 73 | 89.6 Ų | 89.6 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | trans | -62.3 | 143.8 | -178.5 | 53 | 0 | 0 | 0 | 0 | 110.6 | E448 K449 V450 | T446-E448 PolarHBondContact O-N 2.74Å; T446-K449 WeakPolarHBondContact O-CB 3.35Å; T446-K449 PolarHBondContact O-N 2.59Å; T446-V450 PolarHBondContact O-N 2.71Å | ||
| 447 | K | 70 | Confident | 68.5 | Low | 193 Ų | 193 | 90.9 Ų | 90.9 | 84% | 0.839 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -55.5 | -27.3 | 176.1 | -68.8 | 165.1 | -176.9 | 158.2 | 0 | 112.4 | V450 G451 | K447-V450 PolarHBondContact O-N 3.09Å; K447-G451 PolarHBondContact O-N 3.37Å |
| 448 | E | 75.3 | Confident | 69.6 | Low | 98 Ų | 98 | 88.8 Ų | 88.8 | 46% | 0.458 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.2 | -45.8 | 168.9 | -172.9 | -152 | -179.8 | 0 | 0 | 113.1 | T446 G451 K452 | T446-E448 PolarHBondContact O-N 2.74Å; E448-G451 PolarHBondContact O-N 3.05Å; E448-K452 HydrophobicContact CG-CD 4.27Å; E448-K452 WeakPolarHBondContact O-CB 3.29Å; E448-K452 VanDerWaalsContact O-CG 3.29Å; E448-K452 WeakPolarHBondContact O-CG 3.49Å; E448-K452 PolarHBondContact O-N 3.02Å; E448-K452 WeakPolarHBondContact OE1-CE 3.33Å; E448-K452 IonicContact OE1-NZ 3.8Å; E448-K452 PolarHBondContact OE1-NZ 3.1Å |
| 449 | K | 78.4 | Confident | 70.8 | Confident | 107 Ų | 107 | 89 Ų | 89 | 47% | 0.465 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63 | -47.8 | 176.4 | -78.8 | -177.8 | 166.6 | -176.4 | 0 | 111.6 | E445 T446 G451 K452 A453 | E445-K449 HydrophobicContact CB-CD 4.09Å; E445-K449 HydrophobicContact CG-CD 4.18Å; E445-K449 VanDerWaalsContact OE1-CD 3.22Å; E445-K449 WeakPolarHBondContact OE1-CD 3.49Å; E445-K449 WeakPolarHBondContact OE1-CE 3.2Å; E445-K449 IonicContact OE1-NZ 2.82Å; E445-K449 PolarHBondContact OE1-NZ 3.29Å; T446-K449 WeakPolarHBondContact O-CB 3.35Å; T446-K449 PolarHBondContact O-N 2.59Å; K449-G451 VanDerWaalsContact C-N 3.34Å; K449-G451 PolarHBondContact O-N 2.99Å; K449-K452 PolarHBondContact O-N 3.01Å; K449-A453 PolarHBondContact O-N 2.98Å |
| 450 | V | 75.5 | Confident | 72.2 | Confident | 37 Ų | 37 | 88.4 Ų | 88.4 | 22% | 0.224 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 178.4 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | T446 K447 K452 A453 V454 | T446-V450 PolarHBondContact O-N 2.71Å; K447-V450 PolarHBondContact O-N 3.09Å; V450-K452 PolarHBondContact O-N 3.4Å; V450-A453 PolarHBondContact O-N 3.28Å; V450-V454 HydrophobicContact CG1-CG2 4.39Å; V450-V454 WeakPolarHBondContact O-CB 3.44Å; V450-V454 WeakPolarHBondContact O-CG2 3.46Å; V450-V454 PolarHBondContact O-N 3.39Å |
| 451 | G | 80.4 | Confident | 73.1 | Confident | 20 Ų | 20 | 85.5 Ų | 85.5 | 21% | 0.206 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -57.6 | -45.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | K447 E448 K449 V454 Y455 | K447-G451 PolarHBondContact O-N 3.37Å; E448-G451 PolarHBondContact O-N 3.05Å; K449-G451 VanDerWaalsContact C-N 3.34Å; K449-G451 PolarHBondContact O-N 2.99Å; G451-V454 PolarHBondContact O-N 3.16Å; G451-Y455 VanDerWaalsContact O-CB 3.23Å; G451-Y455 WeakPolarHBondContact O-CB 3.31Å; G451-Y455 PolarHBondContact O-N 3.32Å |
| 452 | K | 84 | Confident | 74.2 | Confident | 122 Ų | 122 | 84.7 Ų | 84.7 | 53% | 0.53 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 175.8 | -75.8 | 171.4 | 177.4 | 177.3 | 0 | 112.9 | E448 K449 V450 S456 | E448-K452 HydrophobicContact CG-CD 4.27Å; E448-K452 WeakPolarHBondContact O-CB 3.29Å; E448-K452 VanDerWaalsContact O-CG 3.29Å; E448-K452 WeakPolarHBondContact O-CG 3.49Å; E448-K452 PolarHBondContact O-N 3.02Å; E448-K452 WeakPolarHBondContact OE1-CE 3.33Å; E448-K452 IonicContact OE1-NZ 3.8Å; E448-K452 PolarHBondContact OE1-NZ 3.1Å; K449-K452 PolarHBondContact O-N 3.01Å; V450-K452 PolarHBondContact O-N 3.4Å; K452-S456 WeakPolarHBondContact O-CB 3.22Å; K452-S456 PolarHBondContact O-N 3Å; K452-S456 PolarHBondContact O-OG 2.64Å |
| 453 | A | 81.2 | Confident | 76.1 | Confident | 56 Ų | 56 | 85 Ų | 85 | 46% | 0.463 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.1 | -47.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K449 V450 S456 L457 | K449-A453 PolarHBondContact O-N 2.98Å; V450-A453 PolarHBondContact O-N 3.28Å; A453-S456 PolarHBondContact O-N 2.82Å; A453-L457 PolarHBondContact O-N 2.7Å |
| 454 | V | 79.9 | Confident | 77.4 | Confident | 30 Ų | 30 | 78.8 Ų | 78.8 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | I376 V450 G451 L457 L458 | I376-V454 HydrophobicContact CD1-CG1 3.81Å; V450-V454 HydrophobicContact CG1-CG2 4.39Å; V450-V454 WeakPolarHBondContact O-CB 3.44Å; V450-V454 WeakPolarHBondContact O-CG2 3.46Å; V450-V454 PolarHBondContact O-N 3.39Å; G451-V454 PolarHBondContact O-N 3.16Å; V454-L457 PolarHBondContact O-N 3.29Å; V454-L458 HydrophobicContact CG1-CD1 3.89Å; V454-L458 HydrophobicContact CG1-CG 4.46Å; V454-L458 WeakPolarHBondContact O-CB 3.5Å; V454-L458 VanDerWaalsContact O-CG 3.3Å; V454-L458 WeakPolarHBondContact O-CG 3.28Å; V454-L458 PolarHBondContact O-N 2.93Å |
| 455 | Y | 81.4 | Confident | 78.5 | Confident | 137 Ų | 137 | 79.2 Ų | 79.2 | 54% | 0.537 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 175.8 | -178 | -94.1 | 0 | 0 | 0 | 112 | G451 L458 N459 | G451-Y455 VanDerWaalsContact O-CB 3.23Å; G451-Y455 WeakPolarHBondContact O-CB 3.31Å; G451-Y455 PolarHBondContact O-N 3.32Å; Y455-L458 PolarHBondContact O-N 2.85Å; Y455-N459 WeakPolarHBondContact O-CB 3.4Å; Y455-N459 PolarHBondContact O-N 3.28Å |
| 456 | S | 85.2 | Confident | 79.6 | Confident | 72 Ų | 72 | 83 Ų | 83 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | K452 A453 N459 E460 | K452-S456 WeakPolarHBondContact O-CB 3.22Å; K452-S456 PolarHBondContact O-N 3Å; K452-S456 PolarHBondContact O-OG 2.64Å; A453-S456 PolarHBondContact O-N 2.82Å; S456-N459 PolarHBondContact O-N 3.11Å; S456-E460 WeakPolarHBondContact O-CB 3.43Å; S456-E460 PolarHBondContact O-N 2.6Å |
| 457 | L | 83 | Confident | 80.6 | Confident | 66 Ų | 66 | 84 Ų | 84 | 35% | 0.346 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 177.3 | -177 | 70.5 | 0 | 0 | 0 | 112.4 | L434 A453 V454 E460 N461 | L434-L457 HydrophobicContact CD1-CD2 3.64Å; A453-L457 PolarHBondContact O-N 2.7Å; V454-L457 PolarHBondContact O-N 3.29Å; L457-E460 PolarHBondContact O-N 2.68Å; L457-N461 WeakPolarHBondContact O-CB 3.47Å; L457-N461 PolarHBondContact O-N 3.1Å; L457-N461 PolarHBondContact O-ND2 2.95Å |
| 458 | L | 81.3 | Confident | 81.1 | Confident | 37 Ų | 37 | 85 Ų | 85 | 19% | 0.194 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.5 | -75.9 | 168.3 | 0 | 0 | 0 | 111.2 | V454 Y455 N461 M462 | V454-L458 HydrophobicContact CG1-CD1 3.89Å; V454-L458 HydrophobicContact CG1-CG 4.46Å; V454-L458 WeakPolarHBondContact O-CB 3.5Å; V454-L458 VanDerWaalsContact O-CG 3.3Å; V454-L458 WeakPolarHBondContact O-CG 3.28Å; V454-L458 PolarHBondContact O-N 2.93Å; Y455-L458 PolarHBondContact O-N 2.85Å; L458-N461 PolarHBondContact O-N 3.18Å; L458-M462 WeakPolarHBondContact O-CB 3.26Å; L458-M462 WeakPolarHBondContact O-CG 3.35Å; L458-M462 PolarHBondContact O-N 2.91Å |
| 459 | N | 81.6 | Confident | 81.2 | Confident | 79 Ų | 79 | 85.9 Ų | 85.9 | 42% | 0.422 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 178.4 | -172.7 | 69.5 | 0 | 0 | 0 | 112.5 | Y455 S456 T463 | Y455-N459 WeakPolarHBondContact O-CB 3.4Å; Y455-N459 PolarHBondContact O-N 3.28Å; S456-N459 PolarHBondContact O-N 3.11Å; N459-T463 WeakPolarHBondContact O-CB 3.25Å; N459-T463 PolarHBondContact O-N 2.85Å; N459-T463 PolarHBondContact O-OG1 2.79Å |
| 460 | E | 88.2 | Confident | 81.3 | Confident | 115 Ų | 115 | 89.4 Ų | 89.4 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 174 | -178.4 | 173.1 | -170.2 | 0 | 0 | 111.4 | S456 L457 T463 N464 | S456-E460 WeakPolarHBondContact O-CB 3.43Å; S456-E460 PolarHBondContact O-N 2.6Å; L457-E460 PolarHBondContact O-N 2.68Å; E460-T463 WeakPolarHBondContact O-CB 3.06Å; E460-T463 PolarHBondContact O-N 3.04Å; E460-N464 WeakPolarHBondContact O-CB 3.47Å; E460-N464 PolarHBondContact O-N 2.68Å; E460-N464 PolarHBondContact O-ND2 3.15Å |
| 461 | N | 80.3 | Confident | 81.6 | Confident | 65 Ų | 65 | 92 Ų | 92 | 35% | 0.348 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 177 | -79.3 | -32.3 | 0 | 0 | 0 | 112.6 | L457 L458 T463 N464 I465 | L457-N461 WeakPolarHBondContact O-CB 3.47Å; L457-N461 PolarHBondContact O-N 3.1Å; L457-N461 PolarHBondContact O-ND2 2.95Å; L458-N461 PolarHBondContact O-N 3.18Å; N461-T463 VanDerWaalsContact C-N 3.33Å; N461-T463 PolarHBondContact O-N 3.1Å; N461-N464 PolarHBondContact O-N 2.78Å; N461-I465 WeakPolarHBondContact O-CB 3.26Å; N461-I465 WeakPolarHBondContact O-CD1 3.46Å; N461-I465 VanDerWaalsContact O-CG1 3.26Å; N461-I465 WeakPolarHBondContact O-CG1 3.45Å; N461-I465 PolarHBondContact O-N 2.84Å |
| 462 | M | 78.8 | Confident | 81.7 | Confident | 63 Ų | 63 | 95.8 Ų | 95.8 | 31% | 0.31 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 174.4 | -73.8 | -172.2 | -65.8 | 0 | 0 | 111.9 | F231 L458 I465 W466 | F231-M462 HydrophobicContact CE1-CG 4.4Å; F231-M462 HydrophobicContact CE1-SD 4.04Å; F231-M462 HydrophobicContact CZ-CG 4.45Å; F231-M462 HydrophobicContact CZ-SD 4.31Å; L458-M462 WeakPolarHBondContact O-CB 3.26Å; L458-M462 WeakPolarHBondContact O-CG 3.35Å; L458-M462 PolarHBondContact O-N 2.91Å; M462-I465 PolarHBondContact O-N 2.87Å; M462-W466 WeakPolarHBondContact O-CB 2.91Å; M462-W466 PolarHBondContact O-N 3.44Å |
| 463 | T | 83.1 | Confident | 81.5 | Confident | 59 Ų | 59 | 94.3 Ų | 94.3 | 36% | 0.362 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 174.9 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | N459 E460 N461 W466 N467 | N459-T463 WeakPolarHBondContact O-CB 3.25Å; N459-T463 PolarHBondContact O-N 2.85Å; N459-T463 PolarHBondContact O-OG1 2.79Å; E460-T463 WeakPolarHBondContact O-CB 3.06Å; E460-T463 PolarHBondContact O-N 3.04Å; N461-T463 VanDerWaalsContact C-N 3.33Å; N461-T463 PolarHBondContact O-N 3.1Å; T463-W466 PolarHBondContact O-N 3.02Å; T463-N467 WeakPolarHBondContact O-CB 3.38Å; T463-N467 VanDerWaalsContact O-CG 3.27Å; T463-N467 PolarHBondContact O-N 3.19Å; T463-N467 PolarHBondContact O-ND2 2.77Å |
| 464 | N | 83.6 | Confident | 81.6 | Confident | 84 Ų | 84 | 96.6 Ų | 96.6 | 45% | 0.449 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 177.3 | -73.9 | -30.4 | 0 | 0 | 0 | 112.8 | E460 N461 R468 | E460-N464 WeakPolarHBondContact O-CB 3.47Å; E460-N464 PolarHBondContact O-N 2.68Å; E460-N464 PolarHBondContact O-ND2 3.15Å; N461-N464 PolarHBondContact O-N 2.78Å; N464-R468 WeakPolarHBondContact O-CB 3.44Å; N464-R468 PolarHBondContact O-N 2.75Å |
| 465 | I | 76.6 | Confident | 81.7 | Confident | 77 Ų | 77 | 100.8 Ų | 100.8 | 40% | 0.395 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69 | -43 | 172.9 | -69.9 | 164.3 | 0 | 0 | 0 | 110.6 | W228 N461 M462 R468 N469 | W228-I465 HydrophobicContact CZ3-CG2 4.47Å; N461-I465 WeakPolarHBondContact O-CB 3.26Å; N461-I465 WeakPolarHBondContact O-CD1 3.46Å; N461-I465 VanDerWaalsContact O-CG1 3.26Å; N461-I465 WeakPolarHBondContact O-CG1 3.45Å; N461-I465 PolarHBondContact O-N 2.84Å; M462-I465 PolarHBondContact O-N 2.87Å; I465-R468 PolarHBondContact O-N 3.47Å; I465-N469 PolarHBondContact O-N 3.32Å; I465-N469 PolarHBondContact O-ND2 3.48Å; I465-N469 VanDerWaalsContact O-ND2 3.14Å |
| 466 | W | 80.9 | Confident | 81.7 | Confident | 154 Ų | 154 | 98.3 Ų | 98.3 | 58% | 0.583 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.3 | -48.6 | 177.6 | -174.8 | 87.8 | 0 | 0 | 0 | 111.7 | M462 T463 R468 N469 Q470 | M462-W466 WeakPolarHBondContact O-CB 2.91Å; M462-W466 PolarHBondContact O-N 3.44Å; T463-W466 PolarHBondContact O-N 3.02Å; W466-R468 PolarHBondContact O-N 3.2Å; W466-N469 PolarHBondContact O-N 2.65Å; W466-Q470 HydrophobicContact CD2-CG 4.32Å; W466-Q470 HydrophobicContact CE3-CG 4.32Å; W466-Q470 HydrophobicContact CH2-CG 4.16Å; W466-Q470 HydrophobicContact CZ2-CG 4.16Å; W466-Q470 HydrophobicContact CZ3-CG 4.24Å; W466-Q470 PolarHBondContact O-N 2.78Å |
| 467 | N | 84.7 | Confident | 81.4 | Confident | 92 Ų | 92 | 100.2 Ų | 100.2 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.9 | -14 | 175 | -75.1 | -24.8 | 0 | 0 | 0 | 114.5 | T463 | T463-N467 WeakPolarHBondContact O-CB 3.38Å; T463-N467 VanDerWaalsContact O-CG 3.27Å; T463-N467 PolarHBondContact O-N 3.19Å; T463-N467 PolarHBondContact O-ND2 2.77Å |
| 468 | R | 80 | Confident | 81.3 | Confident | 215 Ų | 215 | 102.8 Ų | 102.8 | 81% | 0.811 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -99.8 | -12.1 | 178.4 | -171 | 174.9 | -177.7 | -172.1 | 0.4 | 113.2 | N464 I465 W466 | N464-R468 WeakPolarHBondContact O-CB 3.44Å; N464-R468 PolarHBondContact O-N 2.75Å; I465-R468 PolarHBondContact O-N 3.47Å; W466-R468 PolarHBondContact O-N 3.2Å |
| 469 | N | 78 | Confident | 81.3 | Confident | 117 Ų | 117 | 108.3 Ų | 108.3 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -105.7 | -4 | 178.6 | -66.9 | -31.5 | 0 | 0 | 0 | 112.8 | I465 W466 | I465-N469 PolarHBondContact O-N 3.32Å; I465-N469 PolarHBondContact O-ND2 3.48Å; I465-N469 VanDerWaalsContact O-ND2 3.14Å; W466-N469 PolarHBondContact O-N 2.65Å |
| 470 | Q | 80 | Confident | 81.3 | Confident | 180 Ų | 180 | 111 Ų | 111 | 84% | 0.841 | 52% | 0.523 | S | S | * | . | trans | -87.5 | 0 | 162.9 | -62.8 | -73 | -13.7 | 0 | 0 | 109.5 | W466 | W466-Q470 HydrophobicContact CD2-CG 4.32Å; W466-Q470 HydrophobicContact CE3-CG 4.32Å; W466-Q470 HydrophobicContact CH2-CG 4.16Å; W466-Q470 HydrophobicContact CZ2-CG 4.16Å; W466-Q470 HydrophobicContact CZ3-CG 4.24Å; W466-Q470 PolarHBondContact O-N 2.78Å |
Retrieved 470 of 470 residues in 108.2 ms
(Link to these results)