| 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 | Q | 42.1 | Very low | 40.4 | Very low | 241 Ų | 241 | 152.4 Ų | 152.4 | 100% | 1.126 | 80% | 0.797 | S | S | * | * | 0 | 143 | 0 | -74.8 | 153.7 | -45.7 | 0 | 0 | 108.8 | |||||
| 2 | P | 62.3 | Low | 39.5 | Very low | 119 Ų | 119 | 158 Ų | 158 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -83.7 | -171 | 170.3 | 40.8 | -37.4 | 0 | 0 | 0 | 109.7 | ||||
| 3 | P | 59.2 | Low | 38.7 | Very low | 100 Ų | 100 | 151.3 Ų | 151.3 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | cis | -155.9 | 160.5 | 24 | 42.7 | -19.9 | 0 | 0 | 0 | 123 | ||||
| 4 | K | 39.4 | Very low | 38.7 | Very low | 190 Ų | 190 | 155.4 Ų | 155.4 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | 60.4 | 155.7 | 134.9 | -66.1 | 169.8 | -172.5 | 174.2 | 0 | 119.1 | ||||
| 5 | N | 38.3 | Very low | 38.9 | Very low | 134 Ų | 134 | 154.1 Ų | 154.1 | 72% | 0.717 | 82% | 0.816 | S | S | * | * | cis | -159.3 | 178.7 | 21.1 | -104.7 | -20.8 | 0 | 0 | 0 | 108.8 | ||||
| 6 | R | 37.4 | Very low | 38.6 | Very low | 198 Ų | 198 | 151.4 Ų | 151.4 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | cis | 173.6 | 121.6 | -30.2 | 179.5 | -167.1 | -158 | -166.1 | 8 | 112.5 | ||||
| 7 | N | 35.8 | Very low | 38.9 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 71 | 164.5 | 160.5 | -68.6 | -13.5 | 0 | 0 | 0 | 118.9 | ||||
| 8 | K | 33.5 | Very low | 38.7 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 78% | 0.778 | 81% | 0.813 | S | S | * | * | cis | -163.2 | 141 | 8.5 | -135.5 | 174.5 | -176.5 | -176.1 | 0 | 115 | ||||
| 9 | K | 31.7 | Very low | 38.4 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 33.9 | 138.2 | 140.2 | -77.4 | -170.3 | 170.5 | -173.9 | 0 | 127.1 | ||||
| 10 | S | 31.1 | Very low | 38.9 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | 80.6 | 135.5 | 127.8 | 64.6 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 11 | G | 33.2 | Very low | 39 | Very low | 79 Ų | 79 | 145 Ų | 145 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | -119.5 | -172.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 12 | K | 30.1 | Very low | 38.8 | Very low | 220 Ų | 220 | 141.4 Ų | 141.4 | 96% | 0.957 | 80% | 0.801 | S | S | * | * | trans | -159.3 | 158.1 | 175.9 | -141.3 | 175.8 | -176.5 | -175.8 | 0 | 110 | ||||
| 13 | G | 29.6 | Very low | 37.7 | Very low | 71 Ų | 71 | 140.6 Ų | 140.6 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | -129.1 | 177.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 14 | K | 38.8 | Very low | 37 | Very low | 209 Ų | 209 | 139.7 Ų | 139.7 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -3.2 | 157.3 | 156.9 | -87.8 | -174.2 | 178.9 | -172.9 | 0 | 119.5 | ||||
| 15 | P | 41.7 | Very low | 37.1 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | -150.5 | -155 | 53 | 43.4 | -20.7 | 0 | 0 | 0 | 117.6 | |||||
| 16 | S | 32.8 | Very low | 37.3 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -120.9 | 150.4 | -158.3 | -168.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 17 | A | 43.8 | Very low | 37.6 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | 27.3 | 144 | 142.2 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 18 | V | 35 | Very low | 38.6 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | trans | -143.8 | 156.1 | 153.3 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 19 | V | 33.8 | Very low | 39.8 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -108.5 | 163.8 | -165.5 | 169.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 20 | D | 48.9 | Very low | 41.2 | Very low | 154 Ų | 154 | 127.2 Ų | 127.2 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | -48.2 | 157 | 173.4 | -92.3 | -48 | 0 | 0 | 0 | 116.6 | ||||
| 21 | A | 41.3 | Very low | 42.7 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | trans | -134.8 | 117.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 22 | L | 38.1 | Very low | 44 | Very low | 166 Ų | 166 | 126.5 Ų | 126.5 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | trans | -104 | 142.6 | 170.4 | -75.2 | 168.9 | 0 | 0 | 0 | 110 | ||||
| 23 | S | 37.8 | Very low | 45.6 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | trans | -75.6 | 148.5 | -175.1 | -165.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 24 | T | 45.3 | Very low | 47.2 | Very low | 81 Ų | 81 | 122.3 Ų | 122.3 | 50% | 0.497 | 68% | 0.681 | S | S | . | * | trans | -101.7 | 20.7 | -164.1 | 46.8 | 0 | 0 | 0 | 0 | 114.9 | E26 | T24-E26 VanDerWaalsContact C-N 3.32Å; T24-E26 PolarHBondContact O-N 3.43Å | ||
| 25 | E | 40.4 | Very low | 48.6 | Very low | 180 Ų | 180 | 116.1 Ų | 116.1 | 84% | 0.841 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -7 | -168.7 | -70.9 | -176.1 | 132.5 | 0 | 0 | 115.9 | ||
| 26 | E | 43.1 | Very low | 50 | Low | 196 Ų | 196 | 113.3 Ų | 113.3 | 92% | 0.916 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | 21.4 | 178.3 | -62.4 | -170.3 | 157.6 | 0 | 0 | 113.7 | T24 | T24-E26 VanDerWaalsContact C-N 3.32Å; T24-E26 PolarHBondContact O-N 3.43Å |
| 27 | M | 42.9 | Very low | 51.8 | Low | 74 Ų | 74 | 114.1 Ų | 114.1 | 37% | 0.365 | 63% | 0.627 | S | S | . | * | trans | -97.5 | 134.6 | -179.5 | -62.1 | -126.8 | -62.4 | 0 | 0 | 112.6 | Q31 | M27-Q31 VanDerWaalsContact CA-OE1 3.24Å; M27-Q31 HydrophobicContact CB-CB 4.07Å; M27-Q31 HydrophobicContact CE-CB 4.06Å; M27-Q31 HydrophobicContact SD-CB 4.12Å | ||
| 28 | S | 56.8 | Low | 53.3 | Low | 61 Ų | 61 | 116 Ų | 116 | 43% | 0.427 | 62% | 0.615 | S | S | . | * | trans | -75 | 167 | -179.2 | 78.3 | 0 | 0 | 0 | 0 | 112.3 | D30 Q31 L32 | S28-D30 PolarHBondContact O-N 3.28Å; S28-D30 VanDerWaalsContact O-N 3.16Å; S28-Q31 WeakPolarHBondContact O-CB 3.49Å; S28-Q31 PolarHBondContact O-N 3.08Å; S28-L32 PolarHBondContact O-N 3.14Å | ||
| 29 | K | 59.9 | Low | 55.2 | Low | 135 Ų | 135 | 113.3 Ų | 113.3 | 59% | 0.587 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -51.4 | -40.5 | -179.5 | -178.9 | 175.4 | 173.4 | -72.6 | 0 | 112.9 | Q31 L32 E33 | K29-Q31 VanDerWaalsContact C-N 3.31Å; K29-Q31 PolarHBondContact O-N 3.16Å; K29-L32 PolarHBondContact O-N 3.23Å; K29-E33 WeakPolarHBondContact CE-OE1 3.36Å; K29-E33 IonicContact NZ-OE1 3.6Å; K29-E33 PolarHBondContact NZ-OE1 3.03Å; K29-E33 IonicContact NZ-OE2 3.66Å; K29-E33 PolarHBondContact O-N 2.63Å; K29-E33 VanDerWaalsContact O-N 3.16Å |
| 30 | D | 61.3 | Low | 57.1 | Low | 113 Ų | 113 | 114.9 Ų | 114.9 | 60% | 0.604 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.9 | -32.5 | -177.6 | -51.6 | -23.7 | 0 | 0 | 0 | 111.6 | S28 E33 E34 | S28-D30 PolarHBondContact O-N 3.28Å; S28-D30 VanDerWaalsContact O-N 3.16Å; D30-E33 PolarHBondContact O-N 3.36Å; D30-E34 PolarHBondContact O-N 3.12Å; D30-E34 VanDerWaalsContact O-N 3.16Å |
| 31 | Q | 61.7 | Low | 58.3 | Low | 84 Ų | 84 | 112.4 Ų | 112.4 | 39% | 0.393 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -75.2 | -24.5 | 176.9 | -64.6 | 175.9 | -52 | 0 | 0 | 112.8 | M27 S28 K29 H35 | M27-Q31 VanDerWaalsContact CA-OE1 3.24Å; M27-Q31 HydrophobicContact CB-CB 4.07Å; M27-Q31 HydrophobicContact CE-CB 4.06Å; M27-Q31 HydrophobicContact SD-CB 4.12Å; S28-Q31 WeakPolarHBondContact O-CB 3.49Å; S28-Q31 PolarHBondContact O-N 3.08Å; K29-Q31 VanDerWaalsContact C-N 3.31Å; K29-Q31 PolarHBondContact O-N 3.16Å; Q31-H35 PolarHBondContact O-N 3.49Å |
| 32 | L | 61.4 | Low | 59.9 | Low | 96 Ų | 96 | 112.9 Ų | 112.9 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -76.4 | -38 | 171.8 | -80.5 | 163.4 | 0 | 0 | 0 | 112 | S28 K29 H35 V36 | S28-L32 PolarHBondContact O-N 3.14Å; K29-L32 PolarHBondContact O-N 3.23Å; L32-H35 PolarHBondContact O-N 3.34Å; L32-V36 WeakPolarHBondContact O-CG2 3.25Å; L32-V36 PolarHBondContact O-N 3.1Å |
| 33 | E | 62 | Low | 61.9 | Low | 102 Ų | 102 | 109.2 Ų | 109.2 | 48% | 0.477 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 176 | -71.8 | 177.7 | -178.3 | 0 | 0 | 110.9 | K29 D30 H35 V36 E37 | K29-E33 WeakPolarHBondContact CE-OE1 3.36Å; K29-E33 IonicContact NZ-OE1 3.6Å; K29-E33 PolarHBondContact NZ-OE1 3.03Å; K29-E33 IonicContact NZ-OE2 3.66Å; K29-E33 PolarHBondContact O-N 2.63Å; K29-E33 VanDerWaalsContact O-N 3.16Å; D30-E33 PolarHBondContact O-N 3.36Å; E33-H35 VanDerWaalsContact C-N 3.28Å; E33-H35 PolarHBondContact O-N 3.28Å; E33-V36 PolarHBondContact O-N 3.39Å; E33-V36 VanDerWaalsContact O-N 3.08Å; E33-E37 PolarHBondContact O-N 3.08Å; E33-E37 VanDerWaalsContact O-N 3.1Å |
| 34 | E | 65.1 | Low | 63.7 | Low | 100 Ų | 100 | 107.9 Ų | 107.9 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -33.5 | 175.5 | -157.4 | -173 | -121.1 | 0 | 0 | 112.6 | D30 E37 R38 | D30-E34 PolarHBondContact O-N 3.12Å; D30-E34 VanDerWaalsContact O-N 3.16Å; E34-E37 PolarHBondContact O-N 3.18Å; E34-R38 WeakPolarHBondContact O-CG 3.41Å; E34-R38 PolarHBondContact O-N 3.35Å; E34-R38 VanDerWaalsContact O-N 3.12Å; E34-R38 IonicContact OE2-CZ 2.69Å; E34-R38 IonicContact OE2-NE 3.63Å; E34-R38 IonicContact OE2-NH2 3.93Å; E34-R38 PolarHBondContact OE2-NH2 3.16Å |
| 35 | H | 67 | Low | 65.4 | Low | 80 Ų | 80 | 110.1 Ų | 110.1 | 37% | 0.37 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72 | -28.8 | 175.9 | -158.2 | -50.1 | 0 | 0 | 0 | 112.9 | Q31 L32 E33 L39 | Q31-H35 PolarHBondContact O-N 3.49Å; L32-H35 PolarHBondContact O-N 3.34Å; E33-H35 VanDerWaalsContact C-N 3.28Å; E33-H35 PolarHBondContact O-N 3.28Å; H35-L39 WeakPolarHBondContact O-CG 3.43Å; H35-L39 PolarHBondContact O-N 3.47Å |
| 36 | V | 70.5 | Confident | 67.2 | Low | 75 Ų | 75 | 107.5 Ų | 107.5 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73 | -35.5 | 172.8 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | L32 E33 L39 R40 | L32-V36 WeakPolarHBondContact O-CG2 3.25Å; L32-V36 PolarHBondContact O-N 3.1Å; E33-V36 PolarHBondContact O-N 3.39Å; E33-V36 VanDerWaalsContact O-N 3.08Å; V36-L39 PolarHBondContact O-N 3.27Å; V36-R40 WeakPolarHBondContact O-CG 3.41Å; V36-R40 PolarHBondContact O-N 2.69Å; V36-R40 VanDerWaalsContact O-N 3.14Å |
| 37 | E | 71.9 | Confident | 68.9 | Low | 129 Ų | 129 | 105.2 Ų | 105.2 | 60% | 0.603 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.6 | -46.8 | 174.2 | -68.3 | -171.2 | 151.6 | 0 | 0 | 111.6 | E33 E34 L39 R40 E41 | E33-E37 PolarHBondContact O-N 3.08Å; E33-E37 VanDerWaalsContact O-N 3.1Å; E34-E37 PolarHBondContact O-N 3.18Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.01Å; E37-R40 WeakPolarHBondContact O-CB 3.42Å; E37-R40 PolarHBondContact O-N 2.96Å; E37-E41 PolarHBondContact O-N 3.3Å |
| 38 | R | 75.1 | Confident | 70.7 | Confident | 126 Ų | 126 | 108.5 Ų | 108.5 | 48% | 0.475 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -55.4 | -45.1 | 174.8 | -66.6 | 175.1 | -157.7 | 178 | 4.7 | 112.7 | E34 R40 E41 E42 | E34-R38 WeakPolarHBondContact O-CG 3.41Å; E34-R38 PolarHBondContact O-N 3.35Å; E34-R38 VanDerWaalsContact O-N 3.12Å; E34-R38 IonicContact OE2-CZ 2.69Å; E34-R38 IonicContact OE2-NE 3.63Å; E34-R38 IonicContact OE2-NH2 3.93Å; E34-R38 PolarHBondContact OE2-NH2 3.16Å; R38-R40 VanDerWaalsContact C-N 3.28Å; R38-R40 PolarHBondContact O-N 3.49Å; R38-E41 PolarHBondContact O-N 3.34Å; R38-E42 WeakPolarHBondContact O-CG 3.44Å; R38-E42 PolarHBondContact O-N 2.94Å |
| 39 | L | 73.9 | Confident | 71.8 | Confident | 92 Ų | 92 | 110.4 Ų | 110.4 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -28.1 | 177.5 | -74 | 169.9 | 0 | 0 | 0 | 113.3 | H35 V36 E37 L43 | H35-L39 WeakPolarHBondContact O-CG 3.43Å; H35-L39 PolarHBondContact O-N 3.47Å; V36-L39 PolarHBondContact O-N 3.27Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.01Å; L39-L43 WeakPolarHBondContact O-CB 3.44Å; L39-L43 PolarHBondContact O-N 3.16Å; L39-L43 VanDerWaalsContact O-N 3.12Å |
| 40 | R | 73.6 | Confident | 72.8 | Confident | 167 Ų | 167 | 112.4 Ų | 112.4 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -74 | -43.7 | 172.6 | -73.2 | 175.9 | 177.9 | -172.5 | 1.5 | 111.5 | V36 E37 R38 E42 L43 D44 | V36-R40 WeakPolarHBondContact O-CG 3.41Å; V36-R40 PolarHBondContact O-N 2.69Å; V36-R40 VanDerWaalsContact O-N 3.14Å; E37-R40 WeakPolarHBondContact O-CB 3.42Å; E37-R40 PolarHBondContact O-N 2.96Å; R38-R40 VanDerWaalsContact C-N 3.28Å; R38-R40 PolarHBondContact O-N 3.49Å; R40-E42 VanDerWaalsContact C-N 3.32Å; R40-E42 PolarHBondContact O-N 3.33Å; R40-L43 PolarHBondContact O-N 3.18Å; R40-D44 PolarHBondContact O-N 3.5Å |
| 41 | E | 75.9 | Confident | 73.9 | Confident | 103 Ų | 103 | 110 Ų | 110 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 173.6 | -64.6 | -170.2 | 172 | 0 | 0 | 112.1 | E37 R38 D44 R45 | E37-E41 PolarHBondContact O-N 3.3Å; R38-E41 PolarHBondContact O-N 3.34Å; E41-D44 PolarHBondContact O-N 2.94Å; E41-R45 VanDerWaalsContact CB-NH1 3.34Å; E41-R45 WeakPolarHBondContact O-CB 3.48Å; E41-R45 VanDerWaalsContact O-CG 3.29Å; E41-R45 WeakPolarHBondContact O-CG 3.28Å; E41-R45 PolarHBondContact O-N 3.21Å; E41-R45 IonicContact OE2-CZ 2.67Å; E41-R45 VanDerWaalsContact OE2-CZ 3.3Å; E41-R45 IonicContact OE2-NH1 3.3Å; E41-R45 PolarHBondContact OE2-NH1 3.44Å; E41-R45 IonicContact OE2-NH2 3.88Å; E41-R45 PolarHBondContact OE2-NH2 3.13Å |
| 42 | E | 74.6 | Confident | 75 | Confident | 107 Ų | 107 | 112.3 Ų | 112.3 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 175 | -75.1 | 173.9 | -175.1 | 0 | 0 | 111.7 | R38 R40 D44 R45 E46 | R38-E42 WeakPolarHBondContact O-CG 3.44Å; R38-E42 PolarHBondContact O-N 2.94Å; R40-E42 VanDerWaalsContact C-N 3.32Å; R40-E42 PolarHBondContact O-N 3.33Å; E42-D44 PolarHBondContact O-N 3.31Å; E42-R45 PolarHBondContact O-N 2.94Å; E42-E46 WeakPolarHBondContact O-CB 3.49Å; E42-E46 WeakPolarHBondContact O-CG 3.18Å; E42-E46 PolarHBondContact O-N 2.85Å |
| 43 | L | 78.6 | Confident | 76.1 | Confident | 90 Ų | 90 | 113.9 Ų | 113.9 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 176 | -177.4 | 65.8 | 0 | 0 | 0 | 112.7 | L39 R40 R47 | L39-L43 WeakPolarHBondContact O-CB 3.44Å; L39-L43 PolarHBondContact O-N 3.16Å; L39-L43 VanDerWaalsContact O-N 3.12Å; R40-L43 PolarHBondContact O-N 3.18Å; L43-R47 WeakPolarHBondContact O-CD 3.45Å; L43-R47 VanDerWaalsContact O-CG 3.25Å; L43-R47 WeakPolarHBondContact O-CG 3.47Å; L43-R47 PolarHBondContact O-N 3.45Å; L43-R47 VanDerWaalsContact O-N 3.08Å |
| 44 | D | 76.8 | Confident | 77.1 | Confident | 75 Ų | 75 | 112.7 Ų | 112.7 | 40% | 0.401 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75.5 | -35.5 | 178.3 | -74.2 | -29.9 | 0 | 0 | 0 | 112 | R40 E41 E42 R47 E48 | R40-D44 PolarHBondContact O-N 3.5Å; E41-D44 PolarHBondContact O-N 2.94Å; E42-D44 PolarHBondContact O-N 3.31Å; D44-R47 WeakPolarHBondContact O-CB 3.4Å; D44-R47 PolarHBondContact O-N 3.48Å; D44-R47 VanDerWaalsContact OD1-CD 3.28Å; D44-R47 WeakPolarHBondContact OD1-CD 3.47Å; D44-R47 IonicContact OD1-CZ 2.63Å; D44-R47 IonicContact OD1-NE 3.73Å; D44-R47 IonicContact OD1-NH1 3.86Å; D44-R47 PolarHBondContact OD1-NH1 2.95Å; D44-E48 WeakPolarHBondContact O-CG 3.29Å; D44-E48 PolarHBondContact O-N 3.24Å |
| 45 | R | 80.7 | Confident | 78.1 | Confident | 127 Ų | 127 | 113.5 Ų | 113.5 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 167.2 | -74.6 | 175.2 | -172.3 | 112.3 | 11.5 | 111.7 | E41 E42 R47 E48 E49 | E41-R45 VanDerWaalsContact CB-NH1 3.34Å; E41-R45 WeakPolarHBondContact O-CB 3.48Å; E41-R45 VanDerWaalsContact O-CG 3.29Å; E41-R45 WeakPolarHBondContact O-CG 3.28Å; E41-R45 PolarHBondContact O-N 3.21Å; E41-R45 IonicContact OE2-CZ 2.67Å; E41-R45 VanDerWaalsContact OE2-CZ 3.3Å; E41-R45 IonicContact OE2-NH1 3.3Å; E41-R45 PolarHBondContact OE2-NH1 3.44Å; E41-R45 IonicContact OE2-NH2 3.88Å; E41-R45 PolarHBondContact OE2-NH2 3.13Å; E42-R45 PolarHBondContact O-N 2.94Å; R45-R47 VanDerWaalsContact C-N 3.27Å; R45-R47 PolarHBondContact O-N 3.36Å; R45-E48 PolarHBondContact O-N 3.17Å; R45-E48 VanDerWaalsContact O-N 3.17Å; R45-E49 WeakPolarHBondContact O-CB 3.24Å; R45-E49 WeakPolarHBondContact O-CG 3.5Å; R45-E49 PolarHBondContact O-N 2.81Å |
| 46 | E | 78.1 | Confident | 79 | Confident | 126 Ų | 126 | 111.9 Ų | 111.9 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.3 | -34 | 176.1 | -82.1 | -78.1 | 172.4 | 0 | 0 | 112.7 | E42 R50 | E42-E46 WeakPolarHBondContact O-CB 3.49Å; E42-E46 WeakPolarHBondContact O-CG 3.18Å; E42-E46 PolarHBondContact O-N 2.85Å; E46-R50 WeakPolarHBondContact O-CB 3.42Å; E46-R50 PolarHBondContact O-N 2.9Å |
| 47 | R | 80.2 | Confident | 79.9 | Confident | 147 Ų | 147 | 113.9 Ų | 113.9 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.2 | -44.3 | 173.2 | -74.1 | 161.6 | 170.3 | 178 | -2 | 112.1 | L43 D44 R45 R50 S51 | L43-R47 WeakPolarHBondContact O-CD 3.45Å; L43-R47 VanDerWaalsContact O-CG 3.25Å; L43-R47 WeakPolarHBondContact O-CG 3.47Å; L43-R47 PolarHBondContact O-N 3.45Å; L43-R47 VanDerWaalsContact O-N 3.08Å; D44-R47 WeakPolarHBondContact O-CB 3.4Å; D44-R47 PolarHBondContact O-N 3.48Å; D44-R47 VanDerWaalsContact OD1-CD 3.28Å; D44-R47 WeakPolarHBondContact OD1-CD 3.47Å; D44-R47 IonicContact OD1-CZ 2.63Å; D44-R47 IonicContact OD1-NE 3.73Å; D44-R47 IonicContact OD1-NH1 3.86Å; D44-R47 PolarHBondContact OD1-NH1 2.95Å; R45-R47 VanDerWaalsContact C-N 3.27Å; R45-R47 PolarHBondContact O-N 3.36Å; R47-R50 PolarHBondContact O-N 3.25Å; R47-S51 WeakPolarHBondContact O-CB 3.44Å; R47-S51 PolarHBondContact O-N 2.95Å |
| 48 | E | 80.7 | Confident | 80.6 | Confident | 143 Ų | 143 | 111.3 Ų | 111.3 | 67% | 0.668 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63 | -46.4 | 175.9 | -73.2 | -178.3 | 169.6 | 0 | 0 | 111.3 | D44 R45 R50 S51 Y52 | D44-E48 WeakPolarHBondContact O-CG 3.29Å; D44-E48 PolarHBondContact O-N 3.24Å; R45-E48 PolarHBondContact O-N 3.17Å; R45-E48 VanDerWaalsContact O-N 3.17Å; E48-R50 PolarHBondContact O-N 3.12Å; E48-S51 WeakPolarHBondContact O-CB 3.39Å; E48-S51 PolarHBondContact O-N 2.91Å; E48-Y52 WeakPolarHBondContact O-CB 3.39Å; E48-Y52 PolarHBondContact O-N 2.84Å |
| 49 | E | 79.6 | Confident | 81.3 | Confident | 102 Ų | 102 | 110.6 Ų | 110.6 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 174.6 | -75.7 | -165.8 | -163.1 | 0 | 0 | 111.4 | R45 S51 Y52 F53 | R45-E49 WeakPolarHBondContact O-CB 3.24Å; R45-E49 WeakPolarHBondContact O-CG 3.5Å; R45-E49 PolarHBondContact O-N 2.81Å; E49-S51 VanDerWaalsContact C-N 3.27Å; E49-S51 PolarHBondContact O-N 2.72Å; E49-Y52 PolarHBondContact O-N 3.46Å; E49-F53 HydrophobicContact CB-CD2 4.28Å; E49-F53 HydrophobicContact CB-CE2 4.15Å; E49-F53 WeakPolarHBondContact O-CB 3.37Å; E49-F53 WeakPolarHBondContact O-CD2 3.42Å; E49-F53 PolarHBondContact O-N 3.2Å |
| 50 | R | 80.9 | Confident | 82 | Confident | 176 Ų | 176 | 111.3 Ų | 111.3 | 66% | 0.664 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.5 | -36.6 | 175.8 | 178.3 | 175.2 | 175.9 | 175 | -1.5 | 112.4 | E46 R47 E48 Q54 | E46-R50 WeakPolarHBondContact O-CB 3.42Å; E46-R50 PolarHBondContact O-N 2.9Å; R47-R50 PolarHBondContact O-N 3.25Å; E48-R50 PolarHBondContact O-N 3.12Å; R50-Q54 WeakPolarHBondContact O-CB 3.08Å; R50-Q54 VanDerWaalsContact O-CG 3.24Å; R50-Q54 WeakPolarHBondContact O-CG 3.45Å; R50-Q54 PolarHBondContact O-N 2.65Å; R50-Q54 VanDerWaalsContact O-N 3.13Å; R50-Q54 PolarHBondContact O-NE2 3.4Å |
| 51 | S | 82.8 | Confident | 82.8 | Confident | 64 Ų | 64 | 110.7 Ų | 110.7 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -47.1 | 174.6 | -171.7 | 0 | 0 | 0 | 0 | 111.1 | R47 E48 E49 Q54 L55 | R47-S51 WeakPolarHBondContact O-CB 3.44Å; R47-S51 PolarHBondContact O-N 2.95Å; E48-S51 WeakPolarHBondContact O-CB 3.39Å; E48-S51 PolarHBondContact O-N 2.91Å; E49-S51 VanDerWaalsContact C-N 3.27Å; E49-S51 PolarHBondContact O-N 2.72Å; S51-Q54 WeakPolarHBondContact O-CB 3.38Å; S51-Q54 PolarHBondContact O-N 2.84Å; S51-L55 PolarHBondContact O-N 2.84Å |
| 52 | Y | 85.3 | Confident | 83.5 | Confident | 131 Ų | 131 | 107.1 Ų | 107.1 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 176.4 | 178.3 | -101 | 0 | 0 | 0 | 112.4 | E48 E49 Q54 L55 E56 | E48-Y52 WeakPolarHBondContact O-CB 3.39Å; E48-Y52 PolarHBondContact O-N 2.84Å; E49-Y52 PolarHBondContact O-N 3.46Å; Y52-Q54 VanDerWaalsContact C-N 3.3Å; Y52-Q54 PolarHBondContact O-N 3.34Å; Y52-L55 PolarHBondContact O-N 2.83Å; Y52-E56 HydrophobicContact CD1-CG 4.49Å; Y52-E56 HydrophobicContact CE1-CG 3.93Å; Y52-E56 HydrophobicContact CE2-CG 4.03Å; Y52-E56 PolarHBondContact O-N 2.85Å |
| 53 | F | 84.9 | Confident | 84.3 | Confident | 129 Ų | 129 | 106.7 Ų | 106.7 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.5 | -28.2 | 176.5 | -72.8 | -58.4 | 0 | 0 | 0 | 113.1 | E49 R57 | E49-F53 HydrophobicContact CB-CD2 4.28Å; E49-F53 HydrophobicContact CB-CE2 4.15Å; E49-F53 WeakPolarHBondContact O-CB 3.37Å; E49-F53 WeakPolarHBondContact O-CD2 3.42Å; E49-F53 PolarHBondContact O-N 3.2Å; F53-R57 WeakPolarHBondContact O-CB 3.15Å; F53-R57 PolarHBondContact O-N 3.33Å |
| 54 | Q | 82.1 | Confident | 85 | Confident | 77 Ų | 77 | 109.7 Ų | 109.7 | 36% | 0.36 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.6 | -46.1 | 170.6 | -76.7 | 172.5 | 38.8 | 0 | 0 | 111.4 | R50 S51 Y52 R57 D58 | R50-Q54 WeakPolarHBondContact O-CB 3.08Å; R50-Q54 VanDerWaalsContact O-CG 3.24Å; R50-Q54 WeakPolarHBondContact O-CG 3.45Å; R50-Q54 PolarHBondContact O-N 2.65Å; R50-Q54 VanDerWaalsContact O-N 3.13Å; R50-Q54 PolarHBondContact O-NE2 3.4Å; S51-Q54 WeakPolarHBondContact O-CB 3.38Å; S51-Q54 PolarHBondContact O-N 2.84Å; Y52-Q54 VanDerWaalsContact C-N 3.3Å; Y52-Q54 PolarHBondContact O-N 3.34Å; Q54-R57 PolarHBondContact O-N 3.37Å; Q54-D58 WeakPolarHBondContact O-CB 3.4Å; Q54-D58 VanDerWaalsContact O-CG 3.31Å; Q54-D58 PolarHBondContact O-N 2.95Å |
| 55 | L | 86.1 | Confident | 85.8 | Confident | 117 Ų | 117 | 110.2 Ų | 110.2 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.4 | -46.8 | 175.5 | -76 | 165.3 | 0 | 0 | 0 | 112 | S51 Y52 D58 K59 | S51-L55 PolarHBondContact O-N 2.84Å; Y52-L55 PolarHBondContact O-N 2.83Å; L55-D58 PolarHBondContact O-N 2.84Å; L55-K59 WeakPolarHBondContact O-CB 3.16Å; L55-K59 PolarHBondContact O-N 3.19Å |
| 56 | E | 87.3 | Confident | 86.3 | Confident | 47 Ų | 47 | 107.7 Ų | 107.7 | 22% | 0.22 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 175.9 | -76.4 | -61.1 | 155.1 | 0 | 0 | 112.1 | Y52 D58 K59 I60 | Y52-E56 HydrophobicContact CD1-CG 4.49Å; Y52-E56 HydrophobicContact CE1-CG 3.93Å; Y52-E56 HydrophobicContact CE2-CG 4.03Å; Y52-E56 PolarHBondContact O-N 2.85Å; E56-D58 VanDerWaalsContact C-N 3.35Å; E56-D58 PolarHBondContact O-N 3.38Å; E56-K59 PolarHBondContact O-N 2.91Å; E56-K59 IonicContact OE1-NZ 2.72Å; E56-K59 PolarHBondContact OE1-NZ 2.8Å; E56-K59 WeakPolarHBondContact OE2-CD 3.48Å; E56-K59 IonicContact OE2-NZ 3.74Å; E56-K59 PolarHBondContact OE2-NZ 3.46Å; E56-I60 VanDerWaalsContact O-CB 3.29Å; E56-I60 WeakPolarHBondContact O-CB 3.22Å; E56-I60 WeakPolarHBondContact O-CD1 3.21Å; E56-I60 WeakPolarHBondContact O-CG1 3.29Å; E56-I60 PolarHBondContact O-N 3.22Å |
| 57 | R | 88.1 | Confident | 86.9 | Confident | 116 Ų | 116 | 105.1 Ų | 105.1 | 44% | 0.438 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 172.8 | -179.4 | -158.6 | 70.1 | -155.4 | -7.9 | 111.4 | F53 Q54 I60 R61 | F53-R57 WeakPolarHBondContact O-CB 3.15Å; F53-R57 PolarHBondContact O-N 3.33Å; Q54-R57 PolarHBondContact O-N 3.37Å; R57-I60 PolarHBondContact O-N 3.3Å; R57-R61 WeakPolarHBondContact O-CG 3.31Å; R57-R61 PolarHBondContact O-N 3.2Å |
| 58 | D | 88.6 | Confident | 87.6 | Confident | 75 Ų | 75 | 103.8 Ų | 103.8 | 40% | 0.401 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76.2 | -32.3 | -175.4 | -66.6 | -15.3 | 0 | 0 | 0 | 111.5 | Q54 L55 E56 R61 G62 | Q54-D58 WeakPolarHBondContact O-CB 3.4Å; Q54-D58 VanDerWaalsContact O-CG 3.31Å; Q54-D58 PolarHBondContact O-N 2.95Å; L55-D58 PolarHBondContact O-N 2.84Å; E56-D58 VanDerWaalsContact C-N 3.35Å; E56-D58 PolarHBondContact O-N 3.38Å; D58-R61 PolarHBondContact O-N 3.01Å; D58-G62 PolarHBondContact O-N 2.74Å |
| 59 | K | 89.3 | Confident | 88.2 | Confident | 111 Ų | 111 | 103.4 Ų | 103.4 | 48% | 0.483 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 166 | 176.6 | 177.4 | 159.7 | -150 | 0 | 112.1 | L55 E56 G62 L63 | L55-K59 WeakPolarHBondContact O-CB 3.16Å; L55-K59 PolarHBondContact O-N 3.19Å; E56-K59 PolarHBondContact O-N 2.91Å; E56-K59 IonicContact OE1-NZ 2.72Å; E56-K59 PolarHBondContact OE1-NZ 2.8Å; E56-K59 WeakPolarHBondContact OE2-CD 3.48Å; E56-K59 IonicContact OE2-NZ 3.74Å; E56-K59 PolarHBondContact OE2-NZ 3.46Å; K59-G62 PolarHBondContact O-N 2.78Å; K59-L63 HydrophobicContact CG-CD1 4.26Å; K59-L63 WeakPolarHBondContact O-CB 3.35Å; K59-L63 VanDerWaalsContact O-CG 3.28Å; K59-L63 WeakPolarHBondContact O-CG 3.43Å; K59-L63 PolarHBondContact O-N 3.14Å |
| 60 | I | 88.9 | Confident | 88.9 | Confident | 107 Ų | 107 | 106.5 Ų | 106.5 | 55% | 0.549 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 174.3 | -72.1 | 164.1 | 0 | 0 | 0 | 110.8 | E56 R57 L63 W64 | E56-I60 VanDerWaalsContact O-CB 3.29Å; E56-I60 WeakPolarHBondContact O-CB 3.22Å; E56-I60 WeakPolarHBondContact O-CD1 3.21Å; E56-I60 WeakPolarHBondContact O-CG1 3.29Å; E56-I60 PolarHBondContact O-N 3.22Å; R57-I60 PolarHBondContact O-N 3.3Å; I60-L63 PolarHBondContact O-N 3.3Å; I60-W64 VanDerWaalsContact O-CB 3.29Å; I60-W64 WeakPolarHBondContact O-CB 3.27Å; I60-W64 PolarHBondContact O-N 2.87Å |
| 61 | R | 89.8 | Confident | 89.4 | Confident | 154 Ų | 154 | 102.9 Ų | 102.9 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62 | -47.3 | 173.7 | -77.8 | 178.3 | 172.3 | -151 | -1.4 | 111.8 | R57 D58 W64 E65 | R57-R61 WeakPolarHBondContact O-CG 3.31Å; R57-R61 PolarHBondContact O-N 3.2Å; D58-R61 PolarHBondContact O-N 3.01Å; R61-W64 PolarHBondContact O-N 2.86Å; R61-E65 PolarHBondContact O-N 2.82Å |
| 62 | G | 90.7 | Very high | 90 | Very high | 28 Ų | 28 | 103.8 Ų | 103.8 | 29% | 0.289 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D58 K59 W64 E65 I66 | D58-G62 PolarHBondContact O-N 2.74Å; K59-G62 PolarHBondContact O-N 2.78Å; G62-W64 VanDerWaalsContact C-N 3.32Å; G62-W64 PolarHBondContact O-N 3.16Å; G62-E65 PolarHBondContact O-N 2.89Å; G62-I66 WeakPolarHBondContact O-CB 3.25Å; G62-I66 WeakPolarHBondContact O-CD1 3.15Å; G62-I66 WeakPolarHBondContact O-CG1 3.41Å; G62-I66 PolarHBondContact O-N 3.36Å |
| 63 | L | 91.8 | Very high | 90.4 | Very high | 99 Ų | 99 | 102.8 Ų | 102.8 | 52% | 0.518 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 174.9 | -72 | 171.8 | 0 | 0 | 0 | 112.3 | K59 I60 S67 | K59-L63 HydrophobicContact CG-CD1 4.26Å; K59-L63 WeakPolarHBondContact O-CB 3.35Å; K59-L63 VanDerWaalsContact O-CG 3.28Å; K59-L63 WeakPolarHBondContact O-CG 3.43Å; K59-L63 PolarHBondContact O-N 3.14Å; I60-L63 PolarHBondContact O-N 3.3Å; L63-S67 VanDerWaalsContact O-CB 3.25Å; L63-S67 WeakPolarHBondContact O-CB 3.41Å; L63-S67 PolarHBondContact O-N 2.96Å; L63-S67 PolarHBondContact O-OG 3.43Å |
| 64 | W | 93.4 | Very high | 90.8 | Very high | 153 Ų | 153 | 99 Ų | 99 | 58% | 0.58 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.2 | -45.4 | 175.6 | 178.5 | 82.9 | 0 | 0 | 0 | 112 | I60 R61 G62 S67 R68 | I60-W64 VanDerWaalsContact O-CB 3.29Å; I60-W64 WeakPolarHBondContact O-CB 3.27Å; I60-W64 PolarHBondContact O-N 2.87Å; R61-W64 PolarHBondContact O-N 2.86Å; G62-W64 VanDerWaalsContact C-N 3.32Å; G62-W64 PolarHBondContact O-N 3.16Å; W64-S67 PolarHBondContact O-N 3.33Å; W64-R68 VanDerWaalsContact O-CB 3.22Å; W64-R68 WeakPolarHBondContact O-CB 3.29Å; W64-R68 PolarHBondContact O-N 2.91Å |
| 65 | E | 92.1 | Very high | 91.3 | Very high | 85 Ų | 85 | 100 Ų | 100 | 40% | 0.397 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 175.9 | -75.2 | -172.1 | -151.7 | 0 | 0 | 112 | R61 G62 R68 R69 | R61-E65 PolarHBondContact O-N 2.82Å; G62-E65 PolarHBondContact O-N 2.89Å; E65-R68 PolarHBondContact O-N 2.89Å; E65-R69 WeakPolarHBondContact O-CG 3.19Å; E65-R69 PolarHBondContact O-N 3.47Å; E65-R69 IonicContact OE2-CZ 3.59Å; E65-R69 IonicContact OE2-NH2 3.91Å; E65-R69 PolarHBondContact OE2-NH2 3.46Å |
| 66 | I | 92.9 | Very high | 91.7 | Very high | 75 Ų | 75 | 96.1 Ų | 96.1 | 39% | 0.385 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62 | -46 | 175.1 | -69.6 | 163.9 | 0 | 0 | 0 | 110.3 | G62 R68 R69 R70 | G62-I66 WeakPolarHBondContact O-CB 3.25Å; G62-I66 WeakPolarHBondContact O-CD1 3.15Å; G62-I66 WeakPolarHBondContact O-CG1 3.41Å; G62-I66 PolarHBondContact O-N 3.36Å; I66-R68 VanDerWaalsContact C-N 3.31Å; I66-R68 PolarHBondContact O-N 3.35Å; I66-R69 PolarHBondContact O-N 2.86Å; I66-R70 WeakPolarHBondContact O-CB 3.4Å; I66-R70 VanDerWaalsContact O-CG 3.27Å; I66-R70 WeakPolarHBondContact O-CG 3.28Å; I66-R70 PolarHBondContact O-N 2.81Å |
| 67 | S | 90.6 | Very high | 92 | Very high | 71 Ų | 71 | 100.7 Ų | 100.7 | 50% | 0.497 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 179.1 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | L63 W64 L71 | L63-S67 VanDerWaalsContact O-CB 3.25Å; L63-S67 WeakPolarHBondContact O-CB 3.41Å; L63-S67 PolarHBondContact O-N 2.96Å; L63-S67 PolarHBondContact O-OG 3.43Å; W64-S67 PolarHBondContact O-N 3.33Å; S67-L71 WeakPolarHBondContact O-CB 3.32Å; S67-L71 PolarHBondContact O-N 2.62Å |
| 68 | R | 93.7 | Very high | 92.3 | Very high | 119 Ų | 119 | 100.9 Ų | 100.9 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -47.1 | 175.5 | 179.5 | 179.5 | 169.2 | -173.2 | -5.8 | 111.8 | W64 E65 I66 L71 E72 | W64-R68 VanDerWaalsContact O-CB 3.22Å; W64-R68 WeakPolarHBondContact O-CB 3.29Å; W64-R68 PolarHBondContact O-N 2.91Å; E65-R68 PolarHBondContact O-N 2.89Å; I66-R68 VanDerWaalsContact C-N 3.31Å; I66-R68 PolarHBondContact O-N 3.35Å; R68-L71 WeakPolarHBondContact O-CB 3.45Å; R68-L71 PolarHBondContact O-N 3.43Å; R68-L71 VanDerWaalsContact O-N 3.16Å; R68-E72 HydrophobicContact CG-CG 4.49Å; R68-E72 IonicContact CZ-OE1 2.65Å; R68-E72 VanDerWaalsContact CZ-OE1 3.24Å; R68-E72 IonicContact NE-OE1 3.07Å; R68-E72 PolarHBondContact NE-OE1 2.81Å; R68-E72 IonicContact NH2-OE1 3.63Å; R68-E72 PolarHBondContact NH2-OE1 2.68Å; R68-E72 WeakPolarHBondContact O-CG 3.34Å; R68-E72 PolarHBondContact O-N 2.85Å |
| 69 | R | 93.9 | Very high | 92.6 | Very high | 136 Ų | 136 | 103.6 Ų | 103.6 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 176.1 | -70.8 | 177.7 | -154.4 | 168.3 | 9.8 | 111 | E65 I66 L71 E72 E73 | E65-R69 WeakPolarHBondContact O-CG 3.19Å; E65-R69 PolarHBondContact O-N 3.47Å; E65-R69 IonicContact OE2-CZ 3.59Å; E65-R69 IonicContact OE2-NH2 3.91Å; E65-R69 PolarHBondContact OE2-NH2 3.46Å; I66-R69 PolarHBondContact O-N 2.86Å; R69-L71 VanDerWaalsContact C-N 3.27Å; R69-L71 PolarHBondContact O-N 2.8Å; R69-E72 PolarHBondContact O-N 2.93Å; R69-E72 VanDerWaalsContact O-N 3.14Å; R69-E73 VanDerWaalsContact O-CB 3.31Å; R69-E73 WeakPolarHBondContact O-CB 3.44Å; R69-E73 WeakPolarHBondContact O-CG 3.42Å; R69-E73 PolarHBondContact O-N 3.5Å |
| 70 | R | 93.1 | Very high | 92.9 | Very high | 167 Ų | 167 | 101.6 Ų | 101.6 | 63% | 0.63 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59 | -35 | 173.8 | -73.7 | 174.3 | 179.4 | -179.7 | 0.3 | 113.5 | I66 E73 A74 | I66-R70 WeakPolarHBondContact O-CB 3.4Å; I66-R70 VanDerWaalsContact O-CG 3.27Å; I66-R70 WeakPolarHBondContact O-CG 3.28Å; I66-R70 PolarHBondContact O-N 2.81Å; R70-E73 WeakPolarHBondContact CA-OE2 3.38Å; R70-A74 VanDerWaalsContact O-CB 3.27Å; R70-A74 WeakPolarHBondContact O-CB 3.37Å; R70-A74 PolarHBondContact O-N 2.67Å |
| 71 | L | 93.3 | Very high | 93.2 | Very high | 100 Ų | 100 | 97.7 Ų | 97.7 | 52% | 0.524 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.5 | -46.9 | 173.6 | -179.3 | 64.9 | 0 | 0 | 0 | 111.3 | S67 R68 R69 E73 A74 E75 | S67-L71 WeakPolarHBondContact O-CB 3.32Å; S67-L71 PolarHBondContact O-N 2.62Å; R68-L71 WeakPolarHBondContact O-CB 3.45Å; R68-L71 PolarHBondContact O-N 3.43Å; R68-L71 VanDerWaalsContact O-N 3.16Å; R69-L71 VanDerWaalsContact C-N 3.27Å; R69-L71 PolarHBondContact O-N 2.8Å; L71-E73 VanDerWaalsContact C-N 3.3Å; L71-E73 PolarHBondContact O-N 3.22Å; L71-A74 PolarHBondContact O-N 2.91Å; L71-E75 HydrophobicContact CD1-CG 4.35Å; L71-E75 HydrophobicContact CG-CG 4.49Å; L71-E75 WeakPolarHBondContact O-CB 3.31Å; L71-E75 VanDerWaalsContact O-CG 3.31Å; L71-E75 WeakPolarHBondContact O-CG 3.47Å; L71-E75 PolarHBondContact O-N 3.04Å |
| 72 | E | 93.9 | Very high | 93.4 | Very high | 83 Ų | 83 | 92.9 Ų | 92.9 | 39% | 0.388 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 177.7 | -71 | 172.3 | 175.1 | 0 | 0 | 111.8 | R68 R69 A76 | R68-E72 HydrophobicContact CG-CG 4.49Å; R68-E72 IonicContact CZ-OE1 2.65Å; R68-E72 VanDerWaalsContact CZ-OE1 3.24Å; R68-E72 IonicContact NE-OE1 3.07Å; R68-E72 PolarHBondContact NE-OE1 2.81Å; R68-E72 IonicContact NH2-OE1 3.63Å; R68-E72 PolarHBondContact NH2-OE1 2.68Å; R68-E72 WeakPolarHBondContact O-CG 3.34Å; R68-E72 PolarHBondContact O-N 2.85Å; R69-E72 PolarHBondContact O-N 2.93Å; R69-E72 VanDerWaalsContact O-N 3.14Å; E72-A76 WeakPolarHBondContact O-CB 3.37Å; E72-A76 PolarHBondContact O-N 2.98Å |
| 73 | E | 93.7 | Very high | 93.6 | Very high | 110 Ų | 110 | 98.2 Ų | 98.2 | 51% | 0.514 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.9 | -54.6 | 171 | -74 | 159.9 | -172 | 0 | 0 | 111.1 | R69 R70 L71 E75 A76 E77 | R69-E73 VanDerWaalsContact O-CB 3.31Å; R69-E73 WeakPolarHBondContact O-CB 3.44Å; R69-E73 WeakPolarHBondContact O-CG 3.42Å; R69-E73 PolarHBondContact O-N 3.5Å; R70-E73 WeakPolarHBondContact CA-OE2 3.38Å; L71-E73 VanDerWaalsContact C-N 3.3Å; L71-E73 PolarHBondContact O-N 3.22Å; E73-E75 VanDerWaalsContact C-N 3.29Å; E73-E75 PolarHBondContact O-N 3.32Å; E73-A76 CarbonylContact O-C 3.58Å; E73-A76 WeakPolarHBondContact O-CA 3.46Å; E73-A76 WeakPolarHBondContact O-CB 3.43Å; E73-A76 PolarHBondContact O-N 3.01Å; E73-E77 PolarHBondContact O-N 2.97Å |
| 74 | A | 93.1 | Very high | 93.8 | Very high | 50 Ų | 50 | 99.4 Ų | 99.4 | 41% | 0.413 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.1 | -34.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | R70 L71 A76 L78 | R70-A74 VanDerWaalsContact O-CB 3.27Å; R70-A74 WeakPolarHBondContact O-CB 3.37Å; R70-A74 PolarHBondContact O-N 2.67Å; L71-A74 PolarHBondContact O-N 2.91Å; A74-A76 VanDerWaalsContact C-N 3.35Å; A74-L78 VanDerWaalsContact O-CB 3.28Å; A74-L78 WeakPolarHBondContact O-CB 3.44Å; A74-L78 PolarHBondContact O-N 3.42Å |
| 75 | E | 93.4 | Very high | 93.8 | Very high | 97 Ų | 97 | 99 Ų | 99 | 45% | 0.453 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.5 | -31.9 | 172.1 | -76.8 | -178.2 | 179.7 | 0 | 0 | 112.3 | L71 E73 R79 | L71-E75 HydrophobicContact CD1-CG 4.35Å; L71-E75 HydrophobicContact CG-CG 4.49Å; L71-E75 WeakPolarHBondContact O-CB 3.31Å; L71-E75 VanDerWaalsContact O-CG 3.31Å; L71-E75 WeakPolarHBondContact O-CG 3.47Å; L71-E75 PolarHBondContact O-N 3.04Å; E73-E75 VanDerWaalsContact C-N 3.29Å; E73-E75 PolarHBondContact O-N 3.32Å; E75-R79 VanDerWaalsContact O-CG 3.32Å; E75-R79 WeakPolarHBondContact O-CG 3.5Å; E75-R79 PolarHBondContact O-N 2.86Å; E75-R79 PolarHBondContact O-NE 3.02Å |
| 76 | A | 94.4 | Very high | 93.9 | Very high | 35 Ų | 35 | 99.5 Ų | 99.5 | 29% | 0.289 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71 | -49.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E72 E73 A74 L78 R79 D80 | E72-A76 WeakPolarHBondContact O-CB 3.37Å; E72-A76 PolarHBondContact O-N 2.98Å; E73-A76 CarbonylContact O-C 3.58Å; E73-A76 WeakPolarHBondContact O-CA 3.46Å; E73-A76 WeakPolarHBondContact O-CB 3.43Å; E73-A76 PolarHBondContact O-N 3.01Å; A74-A76 VanDerWaalsContact C-N 3.35Å; A76-L78 VanDerWaalsContact C-N 3.29Å; A76-L78 PolarHBondContact O-N 3.33Å; A76-R79 WeakPolarHBondContact O-CB 3.27Å; A76-R79 PolarHBondContact O-N 2.82Å; A76-D80 PolarHBondContact O-N 3.31Å |
| 77 | E | 94.4 | Very high | 94 | Very high | 144 Ų | 144 | 101.5 Ų | 101.5 | 67% | 0.673 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -55.6 | -42.2 | 174.8 | -70.5 | -179.2 | 171.5 | 0 | 0 | 112 | E73 D80 G81 | E73-E77 PolarHBondContact O-N 2.97Å; E77-D80 PolarHBondContact O-N 2.94Å; E77-G81 PolarHBondContact O-N 3.39Å |
| 78 | L | 93.7 | Very high | 94.2 | Very high | 120 Ų | 120 | 99.4 Ų | 99.4 | 63% | 0.628 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.9 | -41.2 | 175.9 | -173.8 | 69 | 0 | 0 | 0 | 111.9 | A74 A76 G81 V82 | A74-L78 VanDerWaalsContact O-CB 3.28Å; A74-L78 WeakPolarHBondContact O-CB 3.44Å; A74-L78 PolarHBondContact O-N 3.42Å; A76-L78 VanDerWaalsContact C-N 3.29Å; A76-L78 PolarHBondContact O-N 3.33Å; L78-G81 PolarHBondContact O-N 2.85Å; L78-V82 WeakPolarHBondContact O-CG2 3.5Å; L78-V82 PolarHBondContact O-N 3.33Å |
| 79 | R | 94.7 | Very high | 94.2 | Very high | 132 Ų | 132 | 95.8 Ų | 95.8 | 50% | 0.498 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 176.7 | -80.1 | 174.1 | -74.2 | 171.2 | -3.4 | 111.7 | E75 A76 V82 R83 | E75-R79 VanDerWaalsContact O-CG 3.32Å; E75-R79 WeakPolarHBondContact O-CG 3.5Å; E75-R79 PolarHBondContact O-N 2.86Å; E75-R79 PolarHBondContact O-NE 3.02Å; A76-R79 WeakPolarHBondContact O-CB 3.27Å; A76-R79 PolarHBondContact O-N 2.82Å; R79-V82 WeakPolarHBondContact O-CB 3.47Å; R79-V82 PolarHBondContact O-N 2.81Å; R79-R83 WeakPolarHBondContact O-CG 3.28Å; R79-R83 PolarHBondContact O-N 3.33Å |
| 80 | D | 94.8 | Very high | 94.3 | Very high | 69 Ų | 69 | 93.6 Ų | 93.6 | 37% | 0.369 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.8 | -37.8 | 177.8 | -69.2 | -22.5 | 0 | 0 | 0 | 111.7 | A76 E77 V82 R83 Q84 | A76-D80 PolarHBondContact O-N 3.31Å; E77-D80 PolarHBondContact O-N 2.94Å; D80-V82 VanDerWaalsContact C-N 3.31Å; D80-V82 PolarHBondContact O-N 3.11Å; D80-R83 PolarHBondContact O-N 2.91Å; D80-R83 IonicContact OD1-CZ 2.84Å; D80-R83 IonicContact OD1-NH1 3.24Å; D80-R83 PolarHBondContact OD1-NH1 3.39Å; D80-Q84 WeakPolarHBondContact O-CB 3.32Å; D80-Q84 VanDerWaalsContact O-CG 3.26Å; D80-Q84 WeakPolarHBondContact O-CG 3.48Å; D80-Q84 PolarHBondContact O-N 2.93Å |
| 81 | G | 95.3 | Very high | 94.4 | Very high | 25 Ų | 25 | 92.2 Ų | 92.2 | 26% | 0.258 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.8 | -29.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114 | E77 L78 R85 | E77-G81 PolarHBondContact O-N 3.39Å; L78-G81 PolarHBondContact O-N 2.85Å; G81-R85 VanDerWaalsContact O-CG 3.31Å; G81-R85 WeakPolarHBondContact O-CG 3.38Å; G81-R85 PolarHBondContact O-N 2.72Å; G81-R85 PolarHBondContact O-NE 3.45Å |
| 82 | V | 94.8 | Very high | 94.5 | Very high | 53 Ų | 53 | 92.8 Ų | 92.8 | 32% | 0.321 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.4 | -53 | 168.5 | 171.3 | 0 | 0 | 0 | 0 | 110.1 | L78 R79 D80 Q84 R85 D86 | L78-V82 WeakPolarHBondContact O-CG2 3.5Å; L78-V82 PolarHBondContact O-N 3.33Å; R79-V82 WeakPolarHBondContact O-CB 3.47Å; R79-V82 PolarHBondContact O-N 2.81Å; D80-V82 VanDerWaalsContact C-N 3.31Å; D80-V82 PolarHBondContact O-N 3.11Å; V82-Q84 PolarHBondContact O-N 3.25Å; V82-R85 WeakPolarHBondContact O-CB 3.2Å; V82-R85 PolarHBondContact O-N 3Å; V82-R85 VanDerWaalsContact O-N 3.11Å; V82-D86 WeakPolarHBondContact CG1-OD2 3.41Å; V82-D86 PolarHBondContact O-N 3.42Å |
| 83 | R | 95.3 | Very high | 94.6 | Very high | 139 Ų | 139 | 96.3 Ų | 96.3 | 53% | 0.525 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -55.8 | -48.3 | 179.3 | -70.9 | 166.6 | 177.4 | 151.3 | -6 | 112.2 | R79 D80 R85 D86 E87 | R79-R83 WeakPolarHBondContact O-CG 3.28Å; R79-R83 PolarHBondContact O-N 3.33Å; D80-R83 PolarHBondContact O-N 2.91Å; D80-R83 IonicContact OD1-CZ 2.84Å; D80-R83 IonicContact OD1-NH1 3.24Å; D80-R83 PolarHBondContact OD1-NH1 3.39Å; R83-R85 VanDerWaalsContact C-N 3.28Å; R83-R85 PolarHBondContact O-N 3.49Å; R83-D86 PolarHBondContact O-N 2.88Å; R83-D86 VanDerWaalsContact O-N 3.13Å; R83-E87 WeakPolarHBondContact O-CB 3.26Å; R83-E87 WeakPolarHBondContact O-CG 3.15Å; R83-E87 PolarHBondContact O-N 2.82Å |
| 84 | Q | 94.8 | Very high | 94.7 | Very high | 125 Ų | 125 | 94.8 Ų | 94.8 | 58% | 0.584 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60 | -37.6 | 178.4 | -72.5 | 172.6 | 12.1 | 0 | 0 | 112.4 | D80 V82 A88 | D80-Q84 WeakPolarHBondContact O-CB 3.32Å; D80-Q84 VanDerWaalsContact O-CG 3.26Å; D80-Q84 WeakPolarHBondContact O-CG 3.48Å; D80-Q84 PolarHBondContact O-N 2.93Å; V82-Q84 PolarHBondContact O-N 3.25Å; Q84-A88 WeakPolarHBondContact O-CB 3.35Å; Q84-A88 PolarHBondContact O-N 3.2Å |
| 85 | R | 93.9 | Very high | 94.8 | Very high | 145 Ų | 145 | 96.9 Ų | 96.9 | 55% | 0.547 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 174.1 | -78.3 | -174.8 | -68.5 | 102.3 | -11 | 112.2 | G81 V82 R83 A88 A89 | G81-R85 VanDerWaalsContact O-CG 3.31Å; G81-R85 WeakPolarHBondContact O-CG 3.38Å; G81-R85 PolarHBondContact O-N 2.72Å; G81-R85 PolarHBondContact O-NE 3.45Å; V82-R85 WeakPolarHBondContact O-CB 3.2Å; V82-R85 PolarHBondContact O-N 3Å; V82-R85 VanDerWaalsContact O-N 3.11Å; R83-R85 VanDerWaalsContact C-N 3.28Å; R83-R85 PolarHBondContact O-N 3.49Å; R85-A88 PolarHBondContact O-N 2.94Å; R85-A89 WeakPolarHBondContact O-CB 3.42Å; R85-A89 PolarHBondContact O-N 3.38Å |
| 86 | D | 94.4 | Very high | 95 | Very high | 95 Ų | 95 | 96.5 Ų | 96.5 | 51% | 0.508 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.6 | -42 | 179.2 | -65.9 | -21.2 | 0 | 0 | 0 | 111 | V82 R83 A88 A89 E90 | V82-D86 WeakPolarHBondContact CG1-OD2 3.41Å; V82-D86 PolarHBondContact O-N 3.42Å; R83-D86 PolarHBondContact O-N 2.88Å; R83-D86 VanDerWaalsContact O-N 3.13Å; D86-A88 PolarHBondContact O-N 3.29Å; D86-A89 PolarHBondContact O-N 3.5Å; D86-E90 PolarHBondContact O-N 3.45Å |
| 87 | E | 95.2 | Very high | 95.1 | Very high | 116 Ų | 116 | 98.7 Ų | 98.7 | 54% | 0.542 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.1 | -36.1 | 172.5 | -73.1 | 171.9 | -167.1 | 0 | 0 | 112.9 | R83 R91 | R83-E87 WeakPolarHBondContact O-CB 3.26Å; R83-E87 WeakPolarHBondContact O-CG 3.15Å; R83-E87 PolarHBondContact O-N 2.82Å; E87-R91 WeakPolarHBondContact O-CB 3.49Å; E87-R91 VanDerWaalsContact O-CG 3.31Å; E87-R91 WeakPolarHBondContact O-CG 3.46Å; E87-R91 PolarHBondContact O-N 3.39Å; E87-R91 PolarHBondContact O-NE 3.13Å |
| 88 | A | 94.9 | Very high | 95.2 | Very high | 27 Ų | 27 | 94.9 Ų | 94.9 | 22% | 0.223 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q84 R85 D86 E90 R91 H92 | Q84-A88 WeakPolarHBondContact O-CB 3.35Å; Q84-A88 PolarHBondContact O-N 3.2Å; R85-A88 PolarHBondContact O-N 2.94Å; D86-A88 PolarHBondContact O-N 3.29Å; A88-E90 VanDerWaalsContact C-N 3.34Å; A88-E90 PolarHBondContact O-N 2.86Å; A88-R91 PolarHBondContact O-N 2.94Å; A88-H92 WeakPolarHBondContact O-CB 3.32Å; A88-H92 PolarHBondContact O-CD2 2.84Å; A88-H92 VanDerWaalsContact O-CG 3.24Å; A88-H92 PolarHBondContact O-N 3.36Å |
| 89 | A | 94.3 | Very high | 95.3 | Very high | 43 Ų | 43 | 96.5 Ų | 96.5 | 36% | 0.355 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R85 D86 H92 R93 | R85-A89 WeakPolarHBondContact O-CB 3.42Å; R85-A89 PolarHBondContact O-N 3.38Å; D86-A89 PolarHBondContact O-N 3.5Å; A89-H92 PolarHBondContact O-N 3.03Å; A89-R93 VanDerWaalsContact O-CG 3.32Å; A89-R93 WeakPolarHBondContact O-CG 3.45Å; A89-R93 PolarHBondContact O-N 3.19Å |
| 90 | E | 94.3 | Very high | 95.4 | Very high | 91 Ų | 91 | 96.3 Ų | 96.3 | 43% | 0.425 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.7 | -39.6 | 177.1 | -161 | 57 | -143.1 | 0 | 0 | 112.1 | D86 A88 H92 R93 V94 | D86-E90 PolarHBondContact O-N 3.45Å; A88-E90 VanDerWaalsContact C-N 3.34Å; A88-E90 PolarHBondContact O-N 2.86Å; E90-H92 PolarHBondContact O-N 3.14Å; E90-R93 WeakPolarHBondContact O-CB 3.32Å; E90-R93 PolarHBondContact O-N 2.89Å; E90-R93 WeakPolarHBondContact OE2-CD 3.31Å; E90-R93 IonicContact OE2-CZ 3.93Å; E90-R93 IonicContact OE2-NE 2.66Å; E90-R93 IonicContact OE2-NH1 2.84Å; E90-R93 PolarHBondContact OE2-NH1 2.89Å; E90-V94 WeakPolarHBondContact O-CG2 3.44Å; E90-V94 PolarHBondContact O-N 2.97Å |
| 91 | R | 95.3 | Very high | 95.5 | Very high | 138 Ų | 138 | 99.2 Ų | 99.2 | 52% | 0.521 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -55.7 | -49.1 | 168.5 | -80.2 | 177 | -76.6 | 161.2 | -10.5 | 111.6 | E87 A88 R93 V94 E95 | E87-R91 WeakPolarHBondContact O-CB 3.49Å; E87-R91 VanDerWaalsContact O-CG 3.31Å; E87-R91 WeakPolarHBondContact O-CG 3.46Å; E87-R91 PolarHBondContact O-N 3.39Å; E87-R91 PolarHBondContact O-NE 3.13Å; A88-R91 PolarHBondContact O-N 2.94Å; R91-R93 VanDerWaalsContact C-N 3.31Å; R91-R93 PolarHBondContact O-N 3Å; R91-V94 PolarHBondContact O-N 3.36Å; R91-E95 WeakPolarHBondContact O-CB 3.38Å; R91-E95 WeakPolarHBondContact O-CG 3.4Å; R91-E95 PolarHBondContact O-N 3.32Å |
| 92 | H | 95.7 | Very high | 95.6 | Very high | 112 Ų | 112 | 103.9 Ų | 103.9 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 177.4 | -69.8 | -166.6 | 0 | 0 | 0 | 112.1 | A88 A89 E90 I96 | A88-H92 WeakPolarHBondContact O-CB 3.32Å; A88-H92 PolarHBondContact O-CD2 2.84Å; A88-H92 VanDerWaalsContact O-CG 3.24Å; A88-H92 PolarHBondContact O-N 3.36Å; A89-H92 PolarHBondContact O-N 3.03Å; E90-H92 PolarHBondContact O-N 3.14Å; H92-I96 WeakPolarHBondContact O-CB 3.22Å; H92-I96 WeakPolarHBondContact O-CD1 3.48Å; H92-I96 WeakPolarHBondContact O-CG1 3.31Å; H92-I96 PolarHBondContact O-N 3.21Å |
| 93 | R | 95.8 | Very high | 95.7 | Very high | 156 Ų | 156 | 106.4 Ų | 106.4 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.8 | -47.4 | 173.9 | -77.2 | 166 | 175.9 | 173 | 1.9 | 111.8 | A89 E90 R91 I96 T97 | A89-R93 VanDerWaalsContact O-CG 3.32Å; A89-R93 WeakPolarHBondContact O-CG 3.45Å; A89-R93 PolarHBondContact O-N 3.19Å; E90-R93 WeakPolarHBondContact O-CB 3.32Å; E90-R93 PolarHBondContact O-N 2.89Å; E90-R93 WeakPolarHBondContact OE2-CD 3.31Å; E90-R93 IonicContact OE2-CZ 3.93Å; E90-R93 IonicContact OE2-NE 2.66Å; E90-R93 IonicContact OE2-NH1 2.84Å; E90-R93 PolarHBondContact OE2-NH1 2.89Å; R91-R93 VanDerWaalsContact C-N 3.31Å; R91-R93 PolarHBondContact O-N 3Å; R93-I96 PolarHBondContact O-N 3.2Å; R93-T97 WeakPolarHBondContact O-CG2 3.08Å; R93-T97 PolarHBondContact O-N 2.95Å |
| 94 | V | 96.7 | Very high | 95.8 | Very high | 78 Ų | 78 | 106.6 Ų | 106.6 | 47% | 0.473 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 177.3 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | E90 R91 I96 T97 V98 | E90-V94 WeakPolarHBondContact O-CG2 3.44Å; E90-V94 PolarHBondContact O-N 2.97Å; R91-V94 PolarHBondContact O-N 3.36Å; V94-I96 PolarHBondContact O-N 3.31Å; V94-T97 PolarHBondContact O-N 3.48Å; V94-T97 PolarHBondContact O-OG1 3.23Å; V94-V98 HydrophobicContact CG1-CG2 4.37Å; V94-V98 WeakPolarHBondContact O-CB 3.47Å; V94-V98 WeakPolarHBondContact O-CG2 3.18Å; V94-V98 PolarHBondContact O-N 2.9Å |
| 95 | E | 95.8 | Very high | 95.9 | Very high | 95 Ų | 95 | 105.7 Ų | 105.7 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 173.8 | -74.6 | 170.1 | -153.7 | 0 | 0 | 111.4 | R91 T97 V98 Y99 | R91-E95 WeakPolarHBondContact O-CB 3.38Å; R91-E95 WeakPolarHBondContact O-CG 3.4Å; R91-E95 PolarHBondContact O-N 3.32Å; E95-T97 VanDerWaalsContact C-N 3.32Å; E95-T97 PolarHBondContact O-N 2.8Å; E95-V98 PolarHBondContact O-N 3.35Å; E95-Y99 HydrophobicContact CB-CD2 4.29Å; E95-Y99 HydrophobicContact CB-CE2 4.23Å; E95-Y99 WeakPolarHBondContact O-CB 3.38Å; E95-Y99 WeakPolarHBondContact O-CD2 3.5Å; E95-Y99 PolarHBondContact O-N 2.92Å |
| 96 | I | 95.9 | Very high | 96 | Very high | 88 Ų | 88 | 101.9 Ų | 101.9 | 45% | 0.451 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 176.5 | -72.4 | 164.4 | 0 | 0 | 0 | 111.7 | H92 R93 V94 K100 | H92-I96 WeakPolarHBondContact O-CB 3.22Å; H92-I96 WeakPolarHBondContact O-CD1 3.48Å; H92-I96 WeakPolarHBondContact O-CG1 3.31Å; H92-I96 PolarHBondContact O-N 3.21Å; R93-I96 PolarHBondContact O-N 3.2Å; V94-I96 PolarHBondContact O-N 3.31Å; I96-K100 HydrophobicContact CG2-CD 3.99Å; I96-K100 WeakPolarHBondContact O-CB 3.36Å; I96-K100 WeakPolarHBondContact O-CG 3.21Å; I96-K100 PolarHBondContact O-N 3.49Å |
| 97 | T | 96.8 | Very high | 96.1 | Very high | 82 Ų | 82 | 102 Ų | 102 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.3 | -39.8 | 177.1 | 59.1 | 0 | 0 | 0 | 0 | 111.9 | R93 V94 E95 K100 Q101 | R93-T97 WeakPolarHBondContact O-CG2 3.08Å; R93-T97 PolarHBondContact O-N 2.95Å; V94-T97 PolarHBondContact O-N 3.48Å; V94-T97 PolarHBondContact O-OG1 3.23Å; E95-T97 VanDerWaalsContact C-N 3.32Å; E95-T97 PolarHBondContact O-N 2.8Å; T97-K100 PolarHBondContact O-N 2.87Å; T97-Q101 WeakPolarHBondContact O-CB 3.34Å; T97-Q101 PolarHBondContact O-N 3.22Å |
| 98 | V | 96.9 | Very high | 96.2 | Very high | 63 Ų | 63 | 98.9 Ų | 98.9 | 38% | 0.382 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 174.3 | 171 | 0 | 0 | 0 | 0 | 111.4 | V94 E95 Q101 K102 | V94-V98 HydrophobicContact CG1-CG2 4.37Å; V94-V98 WeakPolarHBondContact O-CB 3.47Å; V94-V98 WeakPolarHBondContact O-CG2 3.18Å; V94-V98 PolarHBondContact O-N 2.9Å; E95-V98 PolarHBondContact O-N 3.35Å; V98-Q101 PolarHBondContact O-N 2.89Å; V98-K102 HydrophobicContact CG1-CD 4.15Å; V98-K102 HydrophobicContact CG1-CG 4.49Å; V98-K102 WeakPolarHBondContact O-CG 3.4Å; V98-K102 PolarHBondContact O-N 3.45Å |
| 99 | Y | 96.7 | Very high | 96.3 | Very high | 154 Ų | 154 | 102.1 Ų | 102.1 | 60% | 0.604 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 175.8 | -76.4 | -62.3 | 0 | 0 | 0 | 112 | E95 Q101 K102 L103 | E95-Y99 HydrophobicContact CB-CD2 4.29Å; E95-Y99 HydrophobicContact CB-CE2 4.23Å; E95-Y99 WeakPolarHBondContact O-CB 3.38Å; E95-Y99 WeakPolarHBondContact O-CD2 3.5Å; E95-Y99 PolarHBondContact O-N 2.92Å; Y99-Q101 VanDerWaalsContact C-N 3.35Å; Y99-Q101 PolarHBondContact O-N 3.43Å; Y99-K102 PolarHBondContact O-N 2.68Å; Y99-L103 WeakPolarHBondContact O-CB 3.39Å; Y99-L103 PolarHBondContact O-N 3.3Å |
| 100 | K | 96.9 | Very high | 96.3 | Very high | 129 Ų | 129 | 105.6 Ų | 105.6 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -40.8 | 171.9 | -77.8 | 170.5 | 179.3 | 175.8 | 0 | 112.1 | I96 T97 K104 | I96-K100 HydrophobicContact CG2-CD 3.99Å; I96-K100 WeakPolarHBondContact O-CB 3.36Å; I96-K100 WeakPolarHBondContact O-CG 3.21Å; I96-K100 PolarHBondContact O-N 3.49Å; T97-K100 PolarHBondContact O-N 2.87Å; K100-K104 WeakPolarHBondContact O-CG 3.41Å; K100-K104 PolarHBondContact O-N 2.94Å |
| 101 | Q | 96.3 | Very high | 96.4 | Very high | 129 Ų | 129 | 107 Ų | 107 | 60% | 0.603 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.6 | -44.5 | 177.9 | -163.2 | 74.5 | -3.7 | 0 | 0 | 111.3 | T97 V98 Y99 K104 H105 | T97-Q101 WeakPolarHBondContact O-CB 3.34Å; T97-Q101 PolarHBondContact O-N 3.22Å; V98-Q101 PolarHBondContact O-N 2.89Å; Y99-Q101 VanDerWaalsContact C-N 3.35Å; Y99-Q101 PolarHBondContact O-N 3.43Å; Q101-K104 PolarHBondContact O-N 3.05Å; Q101-H105 WeakPolarHBondContact O-CB 3.49Å; Q101-H105 PolarHBondContact O-N 2.84Å |
| 102 | K | 96.9 | Very high | 96.4 | Very high | 124 Ų | 124 | 104.6 Ų | 104.6 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 173.6 | -73.7 | 176.5 | 177.5 | -179.9 | 0 | 111.8 | V98 Y99 H105 V106 | V98-K102 HydrophobicContact CG1-CD 4.15Å; V98-K102 HydrophobicContact CG1-CG 4.49Å; V98-K102 WeakPolarHBondContact O-CG 3.4Å; V98-K102 PolarHBondContact O-N 3.45Å; Y99-K102 PolarHBondContact O-N 2.68Å; K102-H105 WeakPolarHBondContact O-CB 3.41Å; K102-H105 PolarHBondContact O-N 3.46Å; K102-V106 WeakPolarHBondContact O-CG2 3.49Å; K102-V106 PolarHBondContact O-N 2.88Å |
| 103 | L | 96.7 | Very high | 96.5 | Very high | 106 Ų | 106 | 101.5 Ų | 101.5 | 56% | 0.555 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.7 | -43.5 | 177.6 | -176.6 | 63.5 | 0 | 0 | 0 | 111.7 | Y99 H105 L107 | Y99-L103 WeakPolarHBondContact O-CB 3.39Å; Y99-L103 PolarHBondContact O-N 3.3Å; L103-H105 VanDerWaalsContact C-N 3.33Å; L103-H105 PolarHBondContact O-N 3.22Å; L103-L107 HydrophobicContact CD1-CD1 4.23Å; L103-L107 HydrophobicContact CD1-CG 4.32Å; L103-L107 HydrophobicContact CG-CD1 3.99Å; L103-L107 HydrophobicContact CG-CG 4.49Å; L103-L107 WeakPolarHBondContact O-CB 3.42Å; L103-L107 VanDerWaalsContact O-CG 3.23Å; L103-L107 WeakPolarHBondContact O-CG 3.44Å; L103-L107 PolarHBondContact O-N 3.49Å |
| 104 | K | 97.2 | Very high | 96.5 | Very high | 142 Ų | 142 | 97.5 Ų | 97.5 | 62% | 0.617 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.7 | -43.8 | 173.2 | -76.9 | 177.5 | 178.1 | -176.4 | 0 | 112.1 | K100 Q101 L107 S108 | K100-K104 WeakPolarHBondContact O-CG 3.41Å; K100-K104 PolarHBondContact O-N 2.94Å; Q101-K104 PolarHBondContact O-N 3.05Å; K104-L107 PolarHBondContact O-N 3.02Å; K104-S108 WeakPolarHBondContact O-CB 3.47Å; K104-S108 PolarHBondContact O-N 3.32Å; K104-S108 PolarHBondContact O-OG 2.86Å |
| 105 | H | 96.4 | Very high | 96.5 | Very high | 107 Ų | 107 | 95.4 Ų | 95.4 | 50% | 0.495 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.3 | -53.6 | 179.3 | -176.2 | 24.2 | 0 | 0 | 0 | 111.1 | Q101 K102 L103 L107 S108 E109 | Q101-H105 WeakPolarHBondContact O-CB 3.49Å; Q101-H105 PolarHBondContact O-N 2.84Å; K102-H105 WeakPolarHBondContact O-CB 3.41Å; K102-H105 PolarHBondContact O-N 3.46Å; L103-H105 VanDerWaalsContact C-N 3.33Å; L103-H105 PolarHBondContact O-N 3.22Å; H105-L107 VanDerWaalsContact C-N 3.32Å; H105-L107 PolarHBondContact O-N 2.96Å; H105-S108 WeakPolarHBondContact CA-OG 3.32Å; H105-S108 CarbonylContact O-C 3.6Å; H105-S108 WeakPolarHBondContact O-CA 3.5Å; H105-S108 PolarHBondContact O-N 2.9Å; H105-S108 PolarHBondContact O-OG 3.45Å; H105-E109 IonicContact CE1-OE1 2.93Å; H105-E109 PolarHBondContact CE1-OE1 3.33Å; H105-E109 IonicContact CE1-OE2 2.74Å; H105-E109 IonicContact ND1-OE1 3.75Å; H105-E109 IonicContact ND1-OE2 2.62Å; H105-E109 IonicContact NE2-OE1 3.01Å; H105-E109 PolarHBondContact NE2-OE1 3Å; H105-E109 WeakPolarHBondContact O-CG 3.5Å; H105-E109 PolarHBondContact O-N 3.48Å |
| 106 | V | 97.3 | Very high | 96.5 | Very high | 64 Ų | 64 | 96.2 Ų | 96.2 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.9 | -42.4 | 177.4 | 173 | 0 | 0 | 0 | 0 | 111.8 | K102 S108 E109 Q110 | K102-V106 WeakPolarHBondContact O-CG2 3.49Å; K102-V106 PolarHBondContact O-N 2.88Å; V106-S108 PolarHBondContact O-N 2.96Å; V106-E109 PolarHBondContact O-N 2.79Å; V106-Q110 HydrophobicContact CG1-CG 4.41Å; V106-Q110 WeakPolarHBondContact O-CB 3.43Å; V106-Q110 VanDerWaalsContact O-CG 3.3Å; V106-Q110 WeakPolarHBondContact O-CG 3.33Å; V106-Q110 PolarHBondContact O-N 3.44Å |
| 107 | L | 96.4 | Very high | 96.5 | Very high | 97 Ų | 97 | 98.8 Ų | 98.8 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 175.7 | -72.3 | 171.9 | 0 | 0 | 0 | 112.2 | L103 K104 H105 H111 | L103-L107 HydrophobicContact CD1-CD1 4.23Å; L103-L107 HydrophobicContact CD1-CG 4.32Å; L103-L107 HydrophobicContact CG-CD1 3.99Å; L103-L107 HydrophobicContact CG-CG 4.49Å; L103-L107 WeakPolarHBondContact O-CB 3.42Å; L103-L107 VanDerWaalsContact O-CG 3.23Å; L103-L107 WeakPolarHBondContact O-CG 3.44Å; L103-L107 PolarHBondContact O-N 3.49Å; K104-L107 PolarHBondContact O-N 3.02Å; H105-L107 VanDerWaalsContact C-N 3.32Å; H105-L107 PolarHBondContact O-N 2.96Å; L107-H111 VanDerWaalsContact O-CB 3.23Å; L107-H111 WeakPolarHBondContact O-CB 3.35Å; L107-H111 PolarHBondContact O-N 3.38Å |
| 108 | S | 96.6 | Very high | 96.5 | Very high | 52 Ų | 52 | 101.3 Ų | 101.3 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.7 | -38 | 175.9 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | K104 H105 V106 H111 N112 | K104-S108 WeakPolarHBondContact O-CB 3.47Å; K104-S108 PolarHBondContact O-N 3.32Å; K104-S108 PolarHBondContact O-OG 2.86Å; H105-S108 WeakPolarHBondContact CA-OG 3.32Å; H105-S108 CarbonylContact O-C 3.6Å; H105-S108 WeakPolarHBondContact O-CA 3.5Å; H105-S108 PolarHBondContact O-N 2.9Å; H105-S108 PolarHBondContact O-OG 3.45Å; V106-S108 PolarHBondContact O-N 2.96Å; S108-H111 PolarHBondContact O-N 2.87Å; S108-N112 VanDerWaalsContact O-CB 3.32Å; S108-N112 WeakPolarHBondContact O-CB 3.38Å; S108-N112 PolarHBondContact O-N 3.43Å; S108-N112 PolarHBondContact O-ND2 2.91Å; S108-N112 PolarHBondContact O-OD1 3.38Å |
| 109 | E | 96.6 | Very high | 96.4 | Very high | 95 Ų | 95 | 106.1 Ų | 106.1 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -47.8 | 175.4 | -70.9 | 178 | 135.6 | 0 | 0 | 111 | H105 V106 H111 N112 A113 | H105-E109 IonicContact CE1-OE1 2.93Å; H105-E109 PolarHBondContact CE1-OE1 3.33Å; H105-E109 IonicContact CE1-OE2 2.74Å; H105-E109 IonicContact ND1-OE1 3.75Å; H105-E109 IonicContact ND1-OE2 2.62Å; H105-E109 IonicContact NE2-OE1 3.01Å; H105-E109 PolarHBondContact NE2-OE1 3Å; H105-E109 WeakPolarHBondContact O-CG 3.5Å; H105-E109 PolarHBondContact O-N 3.48Å; V106-E109 PolarHBondContact O-N 2.79Å; E109-H111 VanDerWaalsContact C-N 3.32Å; E109-H111 PolarHBondContact O-N 3.32Å; E109-N112 PolarHBondContact O-N 2.93Å; E109-A113 VanDerWaalsContact O-CB 3.31Å; E109-A113 WeakPolarHBondContact O-CB 3.31Å; E109-A113 PolarHBondContact O-N 2.72Å |
| 110 | Q | 96.1 | Very high | 96.4 | Very high | 116 Ų | 116 | 103.4 Ų | 103.4 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 174.6 | -73.5 | 180 | -3.4 | 0 | 0 | 111.7 | V106 V114 | V106-Q110 HydrophobicContact CG1-CG 4.41Å; V106-Q110 WeakPolarHBondContact O-CB 3.43Å; V106-Q110 VanDerWaalsContact O-CG 3.3Å; V106-Q110 WeakPolarHBondContact O-CG 3.33Å; V106-Q110 PolarHBondContact O-N 3.44Å; Q110-V114 WeakPolarHBondContact O-CB 3.27Å; Q110-V114 VanDerWaalsContact O-CG2 3.24Å; Q110-V114 WeakPolarHBondContact O-CG2 3.23Å; Q110-V114 PolarHBondContact O-N 3.04Å |
| 111 | H | 95.8 | Very high | 96.3 | Very high | 120 Ų | 120 | 100.1 Ų | 100.1 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -47.4 | 176.5 | -172.9 | 74.4 | 0 | 0 | 0 | 111.7 | L107 S108 E109 V114 C115 | L107-H111 VanDerWaalsContact O-CB 3.23Å; L107-H111 WeakPolarHBondContact O-CB 3.35Å; L107-H111 PolarHBondContact O-N 3.38Å; S108-H111 PolarHBondContact O-N 2.87Å; E109-H111 VanDerWaalsContact C-N 3.32Å; E109-H111 PolarHBondContact O-N 3.32Å; H111-V114 PolarHBondContact O-N 3.43Å; H111-C115 WeakPolarHBondContact O-CB 3.46Å; H111-C115 PolarHBondContact O-N 2.83Å; H111-C115 PolarHBondContact O-SG 3.41Å; H111-C115 VanDerWaalsContact O-SG 3.38Å |
| 112 | N | 96.1 | Very high | 96.3 | Very high | 87 Ų | 87 | 98.8 Ų | 98.8 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 178.5 | -71.3 | -10.4 | 0 | 0 | 0 | 111.3 | S108 E109 V114 C115 E116 | S108-N112 VanDerWaalsContact O-CB 3.32Å; S108-N112 WeakPolarHBondContact O-CB 3.38Å; S108-N112 PolarHBondContact O-N 3.43Å; S108-N112 PolarHBondContact O-ND2 2.91Å; S108-N112 PolarHBondContact O-OD1 3.38Å; E109-N112 PolarHBondContact O-N 2.93Å; N112-V114 VanDerWaalsContact C-N 3.34Å; N112-V114 PolarHBondContact O-N 3.39Å; N112-C115 CarbonylContact O-C 3.59Å; N112-C115 WeakPolarHBondContact O-CA 3.3Å; N112-C115 WeakPolarHBondContact O-CB 3.23Å; N112-C115 PolarHBondContact O-N 3.49Å; N112-E116 WeakPolarHBondContact O-CG 3.34Å; N112-E116 PolarHBondContact O-N 2.95Å |
| 113 | A | 97 | Very high | 96.3 | Very high | 47 Ų | 47 | 95.9 Ų | 95.9 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E109 C115 E116 M117 | E109-A113 VanDerWaalsContact O-CB 3.31Å; E109-A113 WeakPolarHBondContact O-CB 3.31Å; E109-A113 PolarHBondContact O-N 2.72Å; A113-C115 VanDerWaalsContact C-N 3.35Å; A113-E116 PolarHBondContact O-N 2.83Å; A113-M117 VanDerWaalsContact O-CB 3.32Å; A113-M117 WeakPolarHBondContact O-CB 3.23Å; A113-M117 WeakPolarHBondContact O-CG 3.32Å; A113-M117 PolarHBondContact O-N 2.91Å |
| 114 | V | 96.3 | Very high | 96.2 | Very high | 73 Ų | 73 | 94.3 Ų | 94.3 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 174.1 | 169 | 0 | 0 | 0 | 0 | 111.7 | Q110 H111 N112 K118 | Q110-V114 WeakPolarHBondContact O-CB 3.27Å; Q110-V114 VanDerWaalsContact O-CG2 3.24Å; Q110-V114 WeakPolarHBondContact O-CG2 3.23Å; Q110-V114 PolarHBondContact O-N 3.04Å; H111-V114 PolarHBondContact O-N 3.43Å; N112-V114 VanDerWaalsContact C-N 3.34Å; N112-V114 PolarHBondContact O-N 3.39Å; V114-K118 HydrophobicContact CG1-CD 4.1Å; V114-K118 VanDerWaalsContact O-CB 3.32Å; V114-K118 WeakPolarHBondContact O-CB 3.31Å; V114-K118 VanDerWaalsContact O-CG 3.23Å; V114-K118 WeakPolarHBondContact O-CG 3.47Å; V114-K118 PolarHBondContact O-N 3Å |
| 115 | C | 95.7 | Very high | 96.1 | Very high | 33 Ų | 33 | 91.2 Ų | 91.2 | 22% | 0.223 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -70.1 | -38.5 | 176.3 | -79.4 | 0 | 0 | 0 | 0 | 113 | H111 N112 A113 R119 | H111-C115 WeakPolarHBondContact O-CB 3.46Å; H111-C115 PolarHBondContact O-N 2.83Å; H111-C115 PolarHBondContact O-SG 3.41Å; H111-C115 VanDerWaalsContact O-SG 3.38Å; N112-C115 CarbonylContact O-C 3.59Å; N112-C115 WeakPolarHBondContact O-CA 3.3Å; N112-C115 WeakPolarHBondContact O-CB 3.23Å; N112-C115 PolarHBondContact O-N 3.49Å; A113-C115 VanDerWaalsContact C-N 3.35Å; C115-R119 VanDerWaalsContact O-CG 3.31Å; C115-R119 WeakPolarHBondContact O-CG 3.19Å; C115-R119 PolarHBondContact O-N 3.04Å |
| 116 | E | 96.4 | Very high | 96.1 | Very high | 113 Ų | 113 | 88.9 Ų | 88.9 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -54.6 | 173.7 | -73.8 | 168.9 | 178.7 | 0 | 0 | 110.4 | N112 A113 K118 R119 D120 | N112-E116 WeakPolarHBondContact O-CG 3.34Å; N112-E116 PolarHBondContact O-N 2.95Å; A113-E116 PolarHBondContact O-N 2.83Å; E116-K118 PolarHBondContact O-N 3.13Å; E116-K118 VanDerWaalsContact O-N 3.13Å; E116-R119 CarbonylContact O-C 3.57Å; E116-R119 WeakPolarHBondContact O-CA 3.35Å; E116-R119 WeakPolarHBondContact O-CB 3.24Å; E116-R119 PolarHBondContact O-N 3.47Å; E116-D120 PolarHBondContact O-N 2.99Å |
| 117 | M | 95.6 | Very high | 96.1 | Very high | 141 Ų | 141 | 90.8 Ų | 90.8 | 70% | 0.695 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -53.9 | -38 | 175.8 | -71.4 | -71.6 | -73.5 | 0 | 0 | 112.8 | A113 A121 | A113-M117 VanDerWaalsContact O-CB 3.32Å; A113-M117 WeakPolarHBondContact O-CB 3.23Å; A113-M117 WeakPolarHBondContact O-CG 3.32Å; A113-M117 PolarHBondContact O-N 2.91Å; M117-A121 VanDerWaalsContact O-CB 3.22Å; M117-A121 WeakPolarHBondContact O-CB 3.32Å; M117-A121 PolarHBondContact O-N 2.92Å |
| 118 | K | 96.5 | Very high | 96.1 | Very high | 136 Ų | 136 | 91 Ų | 91 | 59% | 0.591 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.8 | -41.1 | 173.8 | -78.5 | 175.9 | 179 | -179.6 | 0 | 112.8 | V114 E116 V122 | V114-K118 HydrophobicContact CG1-CD 4.1Å; V114-K118 VanDerWaalsContact O-CB 3.32Å; V114-K118 WeakPolarHBondContact O-CB 3.31Å; V114-K118 VanDerWaalsContact O-CG 3.23Å; V114-K118 WeakPolarHBondContact O-CG 3.47Å; V114-K118 PolarHBondContact O-N 3Å; E116-K118 PolarHBondContact O-N 3.13Å; E116-K118 VanDerWaalsContact O-N 3.13Å; K118-V122 WeakPolarHBondContact O-CB 3.34Å; K118-V122 VanDerWaalsContact O-CG2 3.26Å; K118-V122 WeakPolarHBondContact O-CG2 3.28Å; K118-V122 PolarHBondContact O-N 3.36Å |
| 119 | R | 95.8 | Very high | 96 | Very high | 163 Ų | 163 | 98 Ų | 98 | 62% | 0.615 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -41.3 | 175.9 | -76.6 | 178.5 | -173.4 | 113.4 | -1.3 | 111.5 | C115 E116 V122 S123 | C115-R119 VanDerWaalsContact O-CG 3.31Å; C115-R119 WeakPolarHBondContact O-CG 3.19Å; C115-R119 PolarHBondContact O-N 3.04Å; E116-R119 CarbonylContact O-C 3.57Å; E116-R119 WeakPolarHBondContact O-CA 3.35Å; E116-R119 WeakPolarHBondContact O-CB 3.24Å; E116-R119 PolarHBondContact O-N 3.47Å; R119-V122 PolarHBondContact O-N 2.89Å; R119-S123 VanDerWaalsContact O-CB 3.27Å; R119-S123 WeakPolarHBondContact O-CB 3.42Å; R119-S123 PolarHBondContact O-N 3.39Å; R119-S123 PolarHBondContact O-OG 3.38Å |
| 120 | D | 95.9 | Very high | 95.9 | Very high | 98 Ų | 98 | 98.5 Ų | 98.5 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 179.3 | -69.2 | -12 | 0 | 0 | 0 | 111.4 | E116 S123 S124 | E116-D120 PolarHBondContact O-N 2.99Å; D120-S123 PolarHBondContact O-N 3.42Å; D120-S124 WeakPolarHBondContact O-CB 3.36Å; D120-S124 PolarHBondContact O-N 3.35Å; D120-S124 PolarHBondContact O-OG 2.87Å |
| 121 | A | 95.8 | Very high | 95.9 | Very high | 60 Ų | 60 | 101.7 Ų | 101.7 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M117 S125 | M117-A121 VanDerWaalsContact O-CB 3.22Å; M117-A121 WeakPolarHBondContact O-CB 3.32Å; M117-A121 PolarHBondContact O-N 2.92Å; A121-S125 WeakPolarHBondContact O-CB 3.34Å; A121-S125 PolarHBondContact O-N 3.33Å |
| 122 | V | 96.1 | Very high | 95.9 | Very high | 101 Ų | 101 | 99.9 Ų | 99.9 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.4 | -43.2 | 176.4 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | K118 R119 S125 S126 | K118-V122 WeakPolarHBondContact O-CB 3.34Å; K118-V122 VanDerWaalsContact O-CG2 3.26Å; K118-V122 WeakPolarHBondContact O-CG2 3.28Å; K118-V122 PolarHBondContact O-N 3.36Å; R119-V122 PolarHBondContact O-N 2.89Å; V122-S125 PolarHBondContact O-N 2.86Å; V122-S126 WeakPolarHBondContact O-CB 3.37Å; V122-S126 PolarHBondContact O-N 2.85Å |
| 123 | S | 95.7 | Very high | 96 | Very high | 62 Ų | 62 | 96.9 Ų | 96.9 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 179.3 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | R119 D120 S126 L127 | R119-S123 VanDerWaalsContact O-CB 3.27Å; R119-S123 WeakPolarHBondContact O-CB 3.42Å; R119-S123 PolarHBondContact O-N 3.39Å; R119-S123 PolarHBondContact O-OG 3.38Å; D120-S123 PolarHBondContact O-N 3.42Å; S123-S126 PolarHBondContact O-N 3.45Å; S123-L127 WeakPolarHBondContact O-CB 3.42Å; S123-L127 VanDerWaalsContact O-CG 3.28Å; S123-L127 WeakPolarHBondContact O-CG 3.26Å; S123-L127 PolarHBondContact O-N 2.91Å |
| 124 | S | 95.9 | Very high | 95.9 | Very high | 73 Ų | 73 | 96.1 Ų | 96.1 | 51% | 0.51 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 176 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | D120 L127 L128 | D120-S124 WeakPolarHBondContact O-CB 3.36Å; D120-S124 PolarHBondContact O-N 3.35Å; D120-S124 PolarHBondContact O-OG 2.87Å; S124-L127 PolarHBondContact O-N 3.42Å; S124-L128 WeakPolarHBondContact O-CB 3.47Å; S124-L128 PolarHBondContact O-N 2.73Å |
| 125 | S | 94.8 | Very high | 95.9 | Very high | 77 Ų | 77 | 96.1 Ų | 96.1 | 54% | 0.538 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | A121 V122 L128 R129 | A121-S125 WeakPolarHBondContact O-CB 3.34Å; A121-S125 PolarHBondContact O-N 3.33Å; V122-S125 PolarHBondContact O-N 2.86Å; S125-L128 PolarHBondContact O-N 2.83Å; S125-R129 VanDerWaalsContact O-CB 3.29Å; S125-R129 WeakPolarHBondContact O-CB 3.22Å; S125-R129 PolarHBondContact O-N 2.98Å |
| 126 | S | 96.1 | Very high | 96 | Very high | 58 Ų | 58 | 99.9 Ų | 99.9 | 41% | 0.406 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | V122 S123 R129 N130 | V122-S126 WeakPolarHBondContact O-CB 3.37Å; V122-S126 PolarHBondContact O-N 2.85Å; S123-S126 PolarHBondContact O-N 3.45Å; S126-R129 PolarHBondContact O-N 3.44Å; S126-N130 WeakPolarHBondContact O-CB 3.29Å; S126-N130 PolarHBondContact O-N 2.99Å; S126-N130 PolarHBondContact O-ND2 3.18Å; S126-N130 PolarHBondContact O-OD1 2.97Å |
| 127 | L | 96.5 | Very high | 96 | Very high | 104 Ų | 104 | 99 Ų | 99 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.4 | -74 | 169.5 | 0 | 0 | 0 | 112 | S123 S124 N130 R131 | S123-L127 WeakPolarHBondContact O-CB 3.42Å; S123-L127 VanDerWaalsContact O-CG 3.28Å; S123-L127 WeakPolarHBondContact O-CG 3.26Å; S123-L127 PolarHBondContact O-N 2.91Å; S124-L127 PolarHBondContact O-N 3.42Å; L127-N130 PolarHBondContact O-N 3.04Å; L127-R131 WeakPolarHBondContact O-CB 3.19Å; L127-R131 WeakPolarHBondContact O-CG 3.43Å; L127-R131 PolarHBondContact O-N 2.93Å |
| 128 | L | 96.1 | Very high | 96.1 | Very high | 103 Ų | 103 | 95.8 Ų | 95.8 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 176.2 | -166.4 | 77.4 | 0 | 0 | 0 | 111 | S124 S125 N130 R131 N132 | S124-L128 WeakPolarHBondContact O-CB 3.47Å; S124-L128 PolarHBondContact O-N 2.73Å; S125-L128 PolarHBondContact O-N 2.83Å; L128-N130 VanDerWaalsContact C-N 3.34Å; L128-N130 PolarHBondContact O-N 3.38Å; L128-R131 PolarHBondContact O-N 3.43Å; L128-N132 WeakPolarHBondContact O-CB 3.17Å; L128-N132 VanDerWaalsContact O-CG 3.25Å; L128-N132 PolarHBondContact O-N 2.91Å; L128-N132 PolarHBondContact O-OD1 2.99Å |
| 129 | R | 95.4 | Very high | 96.1 | Very high | 197 Ų | 197 | 94 Ų | 94 | 74% | 0.743 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.9 | -42.5 | 176.6 | -176.6 | 176.7 | -179.8 | 170.6 | 1 | 112.1 | S125 S126 G133 | S125-R129 VanDerWaalsContact O-CB 3.29Å; S125-R129 WeakPolarHBondContact O-CB 3.22Å; S125-R129 PolarHBondContact O-N 2.98Å; S126-R129 PolarHBondContact O-N 3.44Å; R129-G133 PolarHBondContact O-N 2.75Å |
| 130 | N | 95.5 | Very high | 96.2 | Very high | 107 Ų | 107 | 91.2 Ų | 91.2 | 57% | 0.572 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68 | -39.7 | 178.7 | -67.7 | -10.6 | 0 | 0 | 0 | 111.6 | S126 L127 L128 G134 | S126-N130 WeakPolarHBondContact O-CB 3.29Å; S126-N130 PolarHBondContact O-N 2.99Å; S126-N130 PolarHBondContact O-ND2 3.18Å; S126-N130 PolarHBondContact O-OD1 2.97Å; L127-N130 PolarHBondContact O-N 3.04Å; L128-N130 VanDerWaalsContact C-N 3.34Å; L128-N130 PolarHBondContact O-N 3.38Å; N130-G134 PolarHBondContact O-N 3.39Å |
| 131 | R | 96.1 | Very high | 96.3 | Very high | 183 Ų | 183 | 93.3 Ų | 93.3 | 69% | 0.691 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -49.9 | 173.3 | -77.6 | 176.6 | 175.3 | 171.6 | -0.5 | 111.7 | L127 L128 G133 G134 S135 | L127-R131 WeakPolarHBondContact O-CB 3.19Å; L127-R131 WeakPolarHBondContact O-CG 3.43Å; L127-R131 PolarHBondContact O-N 2.93Å; L128-R131 PolarHBondContact O-N 3.43Å; R131-G133 PolarHBondContact O-N 3.47Å; R131-G134 PolarHBondContact O-N 3.38Å; R131-S135 PolarHBondContact O-N 3.22Å; R131-S135 PolarHBondContact O-OG 3.29Å |
| 132 | N | 95.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 95.8 Ų | 95.8 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 179.3 | -69 | 9.5 | 0 | 0 | 0 | 111.1 | L128 G134 S135 E136 | L128-N132 WeakPolarHBondContact O-CB 3.17Å; L128-N132 VanDerWaalsContact O-CG 3.25Å; L128-N132 PolarHBondContact O-N 2.91Å; L128-N132 PolarHBondContact O-OD1 2.99Å; N132-G134 VanDerWaalsContact C-N 3.31Å; N132-G134 PolarHBondContact O-N 2.95Å; N132-S135 PolarHBondContact O-N 2.87Å; N132-E136 WeakPolarHBondContact O-CB 3.48Å; N132-E136 WeakPolarHBondContact O-CG 3.29Å; N132-E136 PolarHBondContact O-N 2.87Å |
| 133 | G | 96.6 | Very high | 96.4 | Very high | 25 Ų | 25 | 96 Ų | 96 | 26% | 0.258 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | R129 R131 L137 | R129-G133 PolarHBondContact O-N 2.75Å; R131-G133 PolarHBondContact O-N 3.47Å; G133-L137 WeakPolarHBondContact O-CB 3.38Å; G133-L137 VanDerWaalsContact O-CG 3.26Å; G133-L137 WeakPolarHBondContact O-CG 3.26Å; G133-L137 PolarHBondContact O-N 2.98Å |
| 134 | G | 96.8 | Very high | 96.5 | Very high | 31 Ų | 31 | 99 Ų | 99 | 32% | 0.32 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -52 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N130 R131 N132 E136 L137 D138 | N130-G134 PolarHBondContact O-N 3.39Å; R131-G134 PolarHBondContact O-N 3.38Å; N132-G134 VanDerWaalsContact C-N 3.31Å; N132-G134 PolarHBondContact O-N 2.95Å; G134-E136 VanDerWaalsContact C-N 3.33Å; G134-E136 PolarHBondContact O-N 3.22Å; G134-L137 PolarHBondContact O-N 3.24Å; G134-D138 PolarHBondContact O-N 3.47Å |
| 135 | S | 96.2 | Very high | 96.5 | Very high | 72 Ų | 72 | 100.7 Ų | 100.7 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.9 | -40.1 | 176.1 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | R131 N132 D138 L139 | R131-S135 PolarHBondContact O-N 3.22Å; R131-S135 PolarHBondContact O-OG 3.29Å; N132-S135 PolarHBondContact O-N 2.87Å; S135-D138 PolarHBondContact O-N 3.43Å; S135-L139 WeakPolarHBondContact O-CB 3.3Å; S135-L139 VanDerWaalsContact O-CG 3.26Å; S135-L139 WeakPolarHBondContact O-CG 3.26Å; S135-L139 PolarHBondContact O-N 3.45Å |
| 136 | E | 96.3 | Very high | 96.6 | Very high | 113 Ų | 113 | 103 Ų | 103 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.3 | -77.3 | 170.7 | -165 | 0 | 0 | 111.7 | N132 G134 L139 Q140 | N132-E136 WeakPolarHBondContact O-CB 3.48Å; N132-E136 WeakPolarHBondContact O-CG 3.29Å; N132-E136 PolarHBondContact O-N 2.87Å; G134-E136 VanDerWaalsContact C-N 3.33Å; G134-E136 PolarHBondContact O-N 3.22Å; E136-L139 PolarHBondContact O-N 2.9Å; E136-Q140 WeakPolarHBondContact O-CB 3.33Å; E136-Q140 WeakPolarHBondContact O-CG 3.41Å; E136-Q140 PolarHBondContact O-N 3.38Å |
| 137 | L | 97.1 | Very high | 96.7 | Very high | 93 Ų | 93 | 106.1 Ų | 106.1 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 176.3 | -74 | 169.1 | 0 | 0 | 0 | 112.2 | G133 G134 Q140 R141 | G133-L137 WeakPolarHBondContact O-CB 3.38Å; G133-L137 VanDerWaalsContact O-CG 3.26Å; G133-L137 WeakPolarHBondContact O-CG 3.26Å; G133-L137 PolarHBondContact O-N 2.98Å; G134-L137 PolarHBondContact O-N 3.24Å; L137-Q140 PolarHBondContact O-N 3.07Å; L137-R141 VanDerWaalsContact O-CG 3.3Å; L137-R141 WeakPolarHBondContact O-CG 3.37Å; L137-R141 PolarHBondContact O-N 2.97Å |
| 138 | D | 97 | Very high | 96.7 | Very high | 75 Ų | 75 | 103.8 Ų | 103.8 | 40% | 0.401 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.7 | -36.7 | 178.3 | -70.9 | -24.9 | 0 | 0 | 0 | 112.2 | G134 S135 R141 Q142 | G134-D138 PolarHBondContact O-N 3.47Å; S135-D138 PolarHBondContact O-N 3.43Å; D138-R141 PolarHBondContact O-N 3.46Å; D138-R141 IonicContact OD1-CZ 3.65Å; D138-R141 IonicContact OD1-NH1 2.67Å; D138-R141 PolarHBondContact OD1-NH1 2.8Å; D138-Q142 VanDerWaalsContact O-CG 3.29Å; D138-Q142 WeakPolarHBondContact O-CG 3.25Å; D138-Q142 PolarHBondContact O-N 2.93Å |
| 139 | L | 97.1 | Very high | 96.8 | Very high | 99 Ų | 99 | 101.7 Ų | 101.7 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 170.9 | -74.1 | 169.9 | 0 | 0 | 0 | 112.1 | S135 E136 Q142 L143 | S135-L139 WeakPolarHBondContact O-CB 3.3Å; S135-L139 VanDerWaalsContact O-CG 3.26Å; S135-L139 WeakPolarHBondContact O-CG 3.26Å; S135-L139 PolarHBondContact O-N 3.45Å; E136-L139 PolarHBondContact O-N 2.9Å; L139-Q142 PolarHBondContact O-N 3.49Å; L139-L143 WeakPolarHBondContact O-CB 3.35Å; L139-L143 WeakPolarHBondContact O-CG 3.43Å; L139-L143 PolarHBondContact O-N 3.5Å |
| 140 | Q | 97.3 | Very high | 96.8 | Very high | 104 Ų | 104 | 94 Ų | 94 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 175 | -76.1 | 170.2 | 17.2 | 0 | 0 | 111.9 | E136 L137 L143 Q144 | E136-Q140 WeakPolarHBondContact O-CB 3.33Å; E136-Q140 WeakPolarHBondContact O-CG 3.41Å; E136-Q140 PolarHBondContact O-N 3.38Å; L137-Q140 PolarHBondContact O-N 3.07Å; Q140-L143 PolarHBondContact O-N 2.94Å; Q140-Q144 WeakPolarHBondContact O-CG 3.19Å; Q140-Q144 PolarHBondContact O-N 2.84Å |
| 141 | R | 97.7 | Very high | 96.9 | Very high | 142 Ų | 142 | 94.9 Ų | 94.9 | 54% | 0.536 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -51.4 | 172.9 | -72 | 164.2 | 177.5 | 162.1 | -4.5 | 111.3 | L137 D138 L143 Q144 D145 | L137-R141 VanDerWaalsContact O-CG 3.3Å; L137-R141 WeakPolarHBondContact O-CG 3.37Å; L137-R141 PolarHBondContact O-N 2.97Å; D138-R141 PolarHBondContact O-N 3.46Å; D138-R141 IonicContact OD1-CZ 3.65Å; D138-R141 IonicContact OD1-NH1 2.67Å; D138-R141 PolarHBondContact OD1-NH1 2.8Å; R141-L143 VanDerWaalsContact C-N 3.28Å; R141-L143 PolarHBondContact O-N 2.89Å; R141-Q144 PolarHBondContact O-N 3.06Å; R141-D145 PolarHBondContact O-N 3.04Å |
| 142 | Q | 97.4 | Very high | 96.9 | Very high | 111 Ų | 111 | 91 Ų | 91 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.5 | -38.7 | 178.3 | -72.7 | 172.2 | 13.2 | 0 | 0 | 112.5 | D138 L139 L146 | D138-Q142 VanDerWaalsContact O-CG 3.29Å; D138-Q142 WeakPolarHBondContact O-CG 3.25Å; D138-Q142 PolarHBondContact O-N 2.93Å; L139-Q142 PolarHBondContact O-N 3.49Å; Q142-L146 VanDerWaalsContact O-CB 3.3Å; Q142-L146 WeakPolarHBondContact O-CB 3.22Å; Q142-L146 WeakPolarHBondContact O-CG 3.41Å; Q142-L146 PolarHBondContact O-N 3.42Å |
| 143 | L | 97.4 | Very high | 97 | Very high | 106 Ų | 106 | 92.8 Ų | 92.8 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.9 | -43.3 | 174.2 | -78.8 | 166.7 | 0 | 0 | 0 | 112.2 | L139 Q140 R141 L146 Q147 | L139-L143 WeakPolarHBondContact O-CB 3.35Å; L139-L143 WeakPolarHBondContact O-CG 3.43Å; L139-L143 PolarHBondContact O-N 3.5Å; Q140-L143 PolarHBondContact O-N 2.94Å; R141-L143 VanDerWaalsContact C-N 3.28Å; R141-L143 PolarHBondContact O-N 2.89Å; L143-L146 PolarHBondContact O-N 2.92Å; L143-Q147 WeakPolarHBondContact O-CB 3.3Å; L143-Q147 VanDerWaalsContact O-CG 3.26Å; L143-Q147 WeakPolarHBondContact O-CG 3.24Å; L143-Q147 PolarHBondContact O-N 3.3Å |
| 144 | Q | 97.2 | Very high | 97 | Very high | 125 Ų | 125 | 95.6 Ų | 95.6 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.5 | -43.6 | 176.3 | -72.1 | 173.4 | -1.7 | 0 | 0 | 111.9 | Q140 R141 L146 Q147 A148 | Q140-Q144 WeakPolarHBondContact O-CG 3.19Å; Q140-Q144 PolarHBondContact O-N 2.84Å; R141-Q144 PolarHBondContact O-N 3.06Å; Q144-L146 PolarHBondContact O-N 3.42Å; Q144-Q147 PolarHBondContact O-N 3.21Å; Q144-A148 WeakPolarHBondContact O-CB 3.32Å; Q144-A148 PolarHBondContact O-N 2.99Å |
| 145 | D | 97.2 | Very high | 97 | Very high | 109 Ų | 109 | 99.3 Ų | 99.3 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | 176.9 | -67.8 | -30.5 | 0 | 0 | 0 | 111.4 | R141 A149 | R141-D145 PolarHBondContact O-N 3.04Å; D145-A149 VanDerWaalsContact O-CB 3.25Å; D145-A149 WeakPolarHBondContact O-CB 3.47Å; D145-A149 PolarHBondContact O-N 3.29Å |
| 146 | L | 97.1 | Very high | 97 | Very high | 125 Ų | 125 | 101.5 Ų | 101.5 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.3 | -37.8 | 175.7 | -73.9 | 170.8 | 0 | 0 | 0 | 112.5 | Q142 L143 Q144 G150 | Q142-L146 VanDerWaalsContact O-CB 3.3Å; Q142-L146 WeakPolarHBondContact O-CB 3.22Å; Q142-L146 WeakPolarHBondContact O-CG 3.41Å; Q142-L146 PolarHBondContact O-N 3.42Å; L143-L146 PolarHBondContact O-N 2.92Å; Q144-L146 PolarHBondContact O-N 3.42Å; L146-G150 PolarHBondContact O-N 2.92Å |
| 147 | Q | 97.3 | Very high | 97 | Very high | 123 Ų | 123 | 101 Ų | 101 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.5 | -51 | 173.4 | -78.5 | 173.8 | -22 | 0 | 0 | 111 | L143 Q144 A149 G150 E151 | L143-Q147 WeakPolarHBondContact O-CB 3.3Å; L143-Q147 VanDerWaalsContact O-CG 3.26Å; L143-Q147 WeakPolarHBondContact O-CG 3.24Å; L143-Q147 PolarHBondContact O-N 3.3Å; Q144-Q147 PolarHBondContact O-N 3.21Å; Q147-A149 VanDerWaalsContact C-N 3.34Å; Q147-A149 PolarHBondContact O-N 3.43Å; Q147-G150 WeakPolarHBondContact O-CA 3.41Å; Q147-G150 PolarHBondContact O-N 3.48Å; Q147-G150 VanDerWaalsContact O-N 3.1Å; Q147-E151 WeakPolarHBondContact O-CG 3.31Å; Q147-E151 PolarHBondContact O-N 2.96Å |
| 148 | A | 97.1 | Very high | 97 | Very high | 55 Ų | 55 | 101.7 Ų | 101.7 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q144 Q152 | Q144-A148 WeakPolarHBondContact O-CB 3.32Å; Q144-A148 PolarHBondContact O-N 2.99Å; A148-Q152 VanDerWaalsContact O-CB 3.24Å; A148-Q152 WeakPolarHBondContact O-CB 3.39Å; A148-Q152 PolarHBondContact O-N 3.1Å |
| 149 | A | 97.2 | Very high | 97 | Very high | 60 Ų | 60 | 99.9 Ų | 99.9 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D145 Q147 K153 | D145-A149 VanDerWaalsContact O-CB 3.25Å; D145-A149 WeakPolarHBondContact O-CB 3.47Å; D145-A149 PolarHBondContact O-N 3.29Å; Q147-A149 VanDerWaalsContact C-N 3.34Å; Q147-A149 PolarHBondContact O-N 3.43Å; A149-K153 WeakPolarHBondContact O-CB 3.5Å; A149-K153 PolarHBondContact O-N 3.29Å |
| 150 | G | 96.9 | Very high | 97.1 | Very high | 34 Ų | 34 | 98 Ų | 98 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -50.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L146 Q147 Q152 K153 T154 | L146-G150 PolarHBondContact O-N 2.92Å; Q147-G150 WeakPolarHBondContact O-CA 3.41Å; Q147-G150 PolarHBondContact O-N 3.48Å; Q147-G150 VanDerWaalsContact O-N 3.1Å; G150-Q152 PolarHBondContact O-N 3.4Å; G150-K153 PolarHBondContact O-N 2.92Å; G150-T154 WeakPolarHBondContact O-CG2 3.39Å; G150-T154 PolarHBondContact O-N 3.2Å |
| 151 | E | 96.9 | Very high | 97.1 | Very high | 127 Ų | 127 | 95.2 Ų | 95.2 | 59% | 0.593 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.3 | -51.3 | 175 | -72.4 | 178.3 | -178.3 | 0 | 0 | 110.9 | Q147 K153 T154 I155 | Q147-E151 WeakPolarHBondContact O-CG 3.31Å; Q147-E151 PolarHBondContact O-N 2.96Å; E151-K153 VanDerWaalsContact C-N 3.29Å; E151-K153 PolarHBondContact O-N 2.87Å; E151-T154 PolarHBondContact O-N 2.94Å; E151-T154 VanDerWaalsContact O-N 3.11Å; E151-T154 PolarHBondContact O-OG1 2.94Å; E151-I155 WeakPolarHBondContact O-CG1 3.26Å; E151-I155 PolarHBondContact O-N 2.92Å |
| 152 | Q | 96.4 | Very high | 97.1 | Very high | 102 Ų | 102 | 93.5 Ų | 93.5 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59 | -39 | 178.1 | -176.3 | 64.7 | -5.9 | 0 | 0 | 112.5 | A148 G150 I155 Q156 | A148-Q152 VanDerWaalsContact O-CB 3.24Å; A148-Q152 WeakPolarHBondContact O-CB 3.39Å; A148-Q152 PolarHBondContact O-N 3.1Å; G150-Q152 PolarHBondContact O-N 3.4Å; Q152-I155 PolarHBondContact O-N 2.88Å; Q152-Q156 VanDerWaalsContact O-CG 3.31Å; Q152-Q156 WeakPolarHBondContact O-CG 3.23Å; Q152-Q156 PolarHBondContact O-N 2.86Å |
| 153 | K | 96.7 | Very high | 97.1 | Very high | 118 Ų | 118 | 93.1 Ų | 93.1 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 174.9 | -173.6 | 171.9 | -176.8 | -81.8 | 0 | 111.7 | A149 G150 E151 I155 Q156 E157 | A149-K153 WeakPolarHBondContact O-CB 3.5Å; A149-K153 PolarHBondContact O-N 3.29Å; G150-K153 PolarHBondContact O-N 2.92Å; E151-K153 VanDerWaalsContact C-N 3.29Å; E151-K153 PolarHBondContact O-N 2.87Å; K153-I155 VanDerWaalsContact C-N 3.32Å; K153-I155 PolarHBondContact O-N 2.72Å; K153-Q156 PolarHBondContact O-N 2.6Å; K153-E157 WeakPolarHBondContact CE-OE1 3.26Å; K153-E157 HydrophobicContact CG-CG 4.43Å; K153-E157 IonicContact NZ-OE1 3.51Å; K153-E157 PolarHBondContact NZ-OE1 2.86Å; K153-E157 WeakPolarHBondContact O-CB 3.45Å; K153-E157 WeakPolarHBondContact O-CG 3.37Å; K153-E157 PolarHBondContact O-N 3.49Å |
| 154 | T | 96.6 | Very high | 97.1 | Very high | 84 Ų | 84 | 94 Ų | 94 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 176.1 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | G150 E151 H158 | G150-T154 WeakPolarHBondContact O-CG2 3.39Å; G150-T154 PolarHBondContact O-N 3.2Å; E151-T154 PolarHBondContact O-N 2.94Å; E151-T154 VanDerWaalsContact O-N 3.11Å; E151-T154 PolarHBondContact O-OG1 2.94Å; T154-H158 VanDerWaalsContact O-CB 3.26Å; T154-H158 WeakPolarHBondContact O-CB 3.41Å; T154-H158 PolarHBondContact O-N 3.42Å |
| 155 | I | 97 | Very high | 97.1 | Very high | 109 Ų | 109 | 94.5 Ų | 94.5 | 56% | 0.559 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -44.1 | 173.4 | -67.7 | 165.9 | 0 | 0 | 0 | 110.6 | E151 Q152 K153 G159 | E151-I155 WeakPolarHBondContact O-CG1 3.26Å; E151-I155 PolarHBondContact O-N 2.92Å; Q152-I155 PolarHBondContact O-N 2.88Å; K153-I155 VanDerWaalsContact C-N 3.32Å; K153-I155 PolarHBondContact O-N 2.72Å; I155-G159 PolarHBondContact O-N 3.11Å |
| 156 | Q | 96.7 | Very high | 97.2 | Very high | 118 Ų | 118 | 94.7 Ų | 94.7 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.5 | -46.8 | 177 | -73.6 | 173.7 | 8.7 | 0 | 0 | 112.4 | Q152 K153 H158 G159 A160 | Q152-Q156 VanDerWaalsContact O-CG 3.31Å; Q152-Q156 WeakPolarHBondContact O-CG 3.23Å; Q152-Q156 PolarHBondContact O-N 2.86Å; K153-Q156 PolarHBondContact O-N 2.6Å; Q156-H158 PolarHBondContact O-N 2.88Å; Q156-G159 PolarHBondContact O-N 2.6Å; Q156-A160 WeakPolarHBondContact O-CB 3.49Å; Q156-A160 PolarHBondContact O-N 3.22Å |
| 157 | E | 96.4 | Very high | 97.2 | Very high | 103 Ų | 103 | 94 Ų | 94 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 176.7 | -73.6 | 174.2 | 169.9 | 0 | 0 | 111.4 | K153 A160 A161 | K153-E157 WeakPolarHBondContact CE-OE1 3.26Å; K153-E157 HydrophobicContact CG-CG 4.43Å; K153-E157 IonicContact NZ-OE1 3.51Å; K153-E157 PolarHBondContact NZ-OE1 2.86Å; K153-E157 WeakPolarHBondContact O-CB 3.45Å; K153-E157 WeakPolarHBondContact O-CG 3.37Å; K153-E157 PolarHBondContact O-N 3.49Å; E157-A160 PolarHBondContact O-N 3.42Å; E157-A161 WeakPolarHBondContact O-CB 3.41Å; E157-A161 PolarHBondContact O-N 3.25Å |
| 158 | H | 96.9 | Very high | 97.2 | Very high | 107 Ų | 107 | 93.2 Ų | 93.2 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 176 | -169.3 | 20.3 | 0 | 0 | 0 | 112.3 | T154 Q156 A161 K162 | T154-H158 VanDerWaalsContact O-CB 3.26Å; T154-H158 WeakPolarHBondContact O-CB 3.41Å; T154-H158 PolarHBondContact O-N 3.42Å; Q156-H158 PolarHBondContact O-N 2.88Å; H158-A161 PolarHBondContact O-N 3.48Å; H158-K162 WeakPolarHBondContact CE1-CE 3.47Å; H158-K162 WeakPolarHBondContact NE2-CE 3.41Å; H158-K162 PolarHBondContact NE2-NZ 3.46Å; H158-K162 WeakPolarHBondContact O-CG 3.47Å; H158-K162 PolarHBondContact O-N 2.94Å |
| 159 | G | 97.4 | Very high | 97.2 | Very high | 37 Ų | 37 | 96 Ų | 96 | 38% | 0.381 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -50.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I155 Q156 A161 K162 E163 | I155-G159 PolarHBondContact O-N 3.11Å; Q156-G159 PolarHBondContact O-N 2.6Å; G159-A161 VanDerWaalsContact C-N 3.33Å; G159-A161 PolarHBondContact O-N 2.91Å; G159-K162 PolarHBondContact O-N 3.37Å; G159-E163 PolarHBondContact O-N 2.94Å |
| 160 | A | 97.3 | Very high | 97.3 | Very high | 59 Ų | 59 | 95.6 Ų | 95.6 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q156 E157 E163 L164 | Q156-A160 WeakPolarHBondContact O-CB 3.49Å; Q156-A160 PolarHBondContact O-N 3.22Å; E157-A160 PolarHBondContact O-N 3.42Å; A160-E163 PolarHBondContact O-N 3Å; A160-L164 WeakPolarHBondContact O-CB 3.35Å; A160-L164 PolarHBondContact O-N 3.29Å |
| 161 | A | 97.6 | Very high | 97.3 | Very high | 45 Ų | 45 | 99.2 Ų | 99.2 | 37% | 0.372 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E157 H158 G159 L164 Q165 | E157-A161 WeakPolarHBondContact O-CB 3.41Å; E157-A161 PolarHBondContact O-N 3.25Å; H158-A161 PolarHBondContact O-N 3.48Å; G159-A161 VanDerWaalsContact C-N 3.33Å; G159-A161 PolarHBondContact O-N 2.91Å; A161-L164 PolarHBondContact O-N 3.49Å; A161-Q165 VanDerWaalsContact O-CG 3.32Å; A161-Q165 WeakPolarHBondContact O-CG 3.35Å; A161-Q165 PolarHBondContact O-N 3.44Å |
| 162 | K | 97.6 | Very high | 97.4 | Very high | 107 Ų | 107 | 97.8 Ų | 97.8 | 47% | 0.465 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 174.1 | -73.1 | -178.7 | -168.1 | 179.5 | 0 | 111.9 | H158 G159 L164 Q165 L166 | H158-K162 WeakPolarHBondContact CE1-CE 3.47Å; H158-K162 WeakPolarHBondContact NE2-CE 3.41Å; H158-K162 PolarHBondContact NE2-NZ 3.46Å; H158-K162 WeakPolarHBondContact O-CG 3.47Å; H158-K162 PolarHBondContact O-N 2.94Å; G159-K162 PolarHBondContact O-N 3.37Å; K162-L164 VanDerWaalsContact C-N 3.34Å; K162-L164 PolarHBondContact O-N 2.98Å; K162-Q165 PolarHBondContact O-N 2.93Å; K162-L166 WeakPolarHBondContact O-CG 3.12Å; K162-L166 PolarHBondContact O-N 3.37Å |
| 163 | E | 97.7 | Very high | 97.4 | Very high | 103 Ų | 103 | 98.3 Ų | 98.3 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 178.7 | -164.7 | -168.5 | 149.4 | 0 | 0 | 111.5 | G159 A160 L166 K167 | G159-E163 PolarHBondContact O-N 2.94Å; A160-E163 PolarHBondContact O-N 3Å; E163-L166 PolarHBondContact O-N 2.95Å; E163-K167 HydrophobicContact CG-CD 4.41Å; E163-K167 WeakPolarHBondContact O-CB 3.42Å; E163-K167 WeakPolarHBondContact O-CG 3.41Å; E163-K167 PolarHBondContact O-N 3.43Å; E163-K167 VanDerWaalsContact OE1-CE 3.23Å; E163-K167 WeakPolarHBondContact OE1-CE 3.32Å; E163-K167 IonicContact OE1-NZ 2.72Å; E163-K167 PolarHBondContact OE1-NZ 2.91Å |
| 164 | L | 98.1 | Very high | 97.5 | Very high | 124 Ų | 124 | 98.6 Ų | 98.6 | 65% | 0.649 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 175.1 | -173.8 | 64.3 | 0 | 0 | 0 | 112 | A160 A161 K162 K167 H168 | A160-L164 WeakPolarHBondContact O-CB 3.35Å; A160-L164 PolarHBondContact O-N 3.29Å; A161-L164 PolarHBondContact O-N 3.49Å; K162-L164 VanDerWaalsContact C-N 3.34Å; K162-L164 PolarHBondContact O-N 2.98Å; L164-K167 PolarHBondContact O-N 2.92Å; L164-H168 WeakPolarHBondContact O-CB 3.34Å; L164-H168 PolarHBondContact O-N 3.43Å |
| 165 | Q | 97.8 | Very high | 97.6 | Very high | 136 Ų | 136 | 97.6 Ų | 97.6 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.2 | -44.6 | 174 | -75.9 | 174.1 | -18.2 | 0 | 0 | 112.1 | A161 K162 H168 Q169 | A161-Q165 VanDerWaalsContact O-CG 3.32Å; A161-Q165 WeakPolarHBondContact O-CG 3.35Å; A161-Q165 PolarHBondContact O-N 3.44Å; K162-Q165 PolarHBondContact O-N 2.93Å; Q165-H168 PolarHBondContact O-N 2.9Å; Q165-Q169 WeakPolarHBondContact O-CB 3.1Å; Q165-Q169 PolarHBondContact O-N 3.23Å |
| 166 | L | 98.1 | Very high | 97.6 | Very high | 112 Ų | 112 | 93.8 Ų | 93.8 | 59% | 0.586 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 177.2 | -71.9 | 170.1 | 0 | 0 | 0 | 112.1 | K162 E163 Q169 A170 | K162-L166 WeakPolarHBondContact O-CG 3.12Å; K162-L166 PolarHBondContact O-N 3.37Å; E163-L166 PolarHBondContact O-N 2.95Å; L166-Q169 PolarHBondContact O-N 2.93Å; L166-A170 WeakPolarHBondContact O-CB 3.46Å; L166-A170 PolarHBondContact O-N 2.91Å |
| 167 | K | 97.7 | Very high | 97.7 | Very high | 110 Ų | 110 | 93 Ų | 93 | 48% | 0.478 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 173.7 | -77.5 | 168.3 | 171.1 | 169.9 | 0 | 111.4 | E163 L164 Q169 A170 E171 | E163-K167 HydrophobicContact CG-CD 4.41Å; E163-K167 WeakPolarHBondContact O-CB 3.42Å; E163-K167 WeakPolarHBondContact O-CG 3.41Å; E163-K167 PolarHBondContact O-N 3.43Å; E163-K167 VanDerWaalsContact OE1-CE 3.23Å; E163-K167 WeakPolarHBondContact OE1-CE 3.32Å; E163-K167 IonicContact OE1-NZ 2.72Å; E163-K167 PolarHBondContact OE1-NZ 2.91Å; L164-K167 PolarHBondContact O-N 2.92Å; K167-Q169 PolarHBondContact O-N 3.3Å; K167-A170 PolarHBondContact O-N 3.45Å; K167-E171 WeakPolarHBondContact O-CG 3.43Å; K167-E171 PolarHBondContact O-N 2.93Å |
| 168 | H | 97.4 | Very high | 97.7 | Very high | 107 Ų | 107 | 91.1 Ų | 91.1 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 177.4 | -176.2 | 55.4 | 0 | 0 | 0 | 112.3 | L164 Q165 A170 E171 L172 | L164-H168 WeakPolarHBondContact O-CB 3.34Å; L164-H168 PolarHBondContact O-N 3.43Å; Q165-H168 PolarHBondContact O-N 2.9Å; H168-A170 PolarHBondContact O-N 3.38Å; H168-E171 PolarHBondContact O-N 3.42Å; H168-L172 WeakPolarHBondContact O-CG 3.37Å; H168-L172 PolarHBondContact O-N 3.48Å |
| 169 | Q | 97.6 | Very high | 97.8 | Very high | 113 Ų | 113 | 92.7 Ų | 92.7 | 53% | 0.528 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 176 | -169.3 | 176.9 | 14.4 | 0 | 0 | 112.2 | Q165 L166 K167 L172 M173 | Q165-Q169 WeakPolarHBondContact O-CB 3.1Å; Q165-Q169 PolarHBondContact O-N 3.23Å; L166-Q169 PolarHBondContact O-N 2.93Å; K167-Q169 PolarHBondContact O-N 3.3Å; Q169-L172 PolarHBondContact O-N 2.71Å; Q169-M173 WeakPolarHBondContact O-CG 3.41Å; Q169-M173 PolarHBondContact O-N 2.67Å |
| 170 | A | 97.8 | Very high | 97.8 | Very high | 52 Ų | 52 | 97.1 Ų | 97.1 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L166 K167 H168 M173 R174 | L166-A170 WeakPolarHBondContact O-CB 3.46Å; L166-A170 PolarHBondContact O-N 2.91Å; K167-A170 PolarHBondContact O-N 3.45Å; H168-A170 PolarHBondContact O-N 3.38Å; A170-M173 PolarHBondContact O-N 2.9Å; A170-R174 WeakPolarHBondContact O-CB 3.41Å; A170-R174 PolarHBondContact O-N 3.38Å |
| 171 | E | 97.9 | Very high | 97.8 | Very high | 110 Ų | 110 | 101.2 Ų | 101.2 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 174.2 | -75.5 | 177.4 | 176.4 | 0 | 0 | 112.5 | K167 H168 R174 L175 | K167-E171 WeakPolarHBondContact O-CG 3.43Å; K167-E171 PolarHBondContact O-N 2.93Å; H168-E171 PolarHBondContact O-N 3.42Å; E171-R174 PolarHBondContact O-N 3.47Å; E171-L175 WeakPolarHBondContact O-CB 3.44Å; E171-L175 PolarHBondContact O-N 3.39Å |
| 172 | L | 97.9 | Very high | 97.9 | Very high | 98 Ų | 98 | 103.9 Ų | 103.9 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 174.3 | -73.9 | 176.1 | 0 | 0 | 0 | 111.8 | H168 Q169 L175 G176 | H168-L172 WeakPolarHBondContact O-CG 3.37Å; H168-L172 PolarHBondContact O-N 3.48Å; Q169-L172 PolarHBondContact O-N 2.71Å; L172-L175 PolarHBondContact O-N 2.66Å; L172-G176 PolarHBondContact O-N 3.37Å |
| 173 | M | 97.6 | Very high | 97.9 | Very high | 113 Ų | 113 | 103.2 Ų | 103.2 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.6 | -41 | 174.4 | -73.7 | -168.8 | -65.4 | 0 | 0 | 112.1 | Q169 A170 G176 N177 | Q169-M173 WeakPolarHBondContact O-CG 3.41Å; Q169-M173 PolarHBondContact O-N 2.67Å; A170-M173 PolarHBondContact O-N 2.9Å; M173-G176 PolarHBondContact O-N 3.28Å; M173-N177 WeakPolarHBondContact O-CB 3.44Å; M173-N177 PolarHBondContact O-N 3.25Å; M173-N177 PolarHBondContact O-ND2 3.46Å; M173-N177 PolarHBondContact O-OD1 2.97Å |
| 174 | R | 98.4 | Very high | 97.9 | Very high | 123 Ų | 123 | 104 Ų | 104 | 46% | 0.464 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -48 | 175.6 | -173.9 | -168.2 | 66.1 | 80.8 | 8.8 | 111.3 | A170 E171 N177 E178 | A170-R174 WeakPolarHBondContact O-CB 3.41Å; A170-R174 PolarHBondContact O-N 3.38Å; E171-R174 PolarHBondContact O-N 3.47Å; R174-N177 PolarHBondContact O-N 3.29Å; R174-E178 WeakPolarHBondContact CG-OE1 3.47Å; R174-E178 IonicContact CZ-OE1 3.25Å; R174-E178 IonicContact CZ-OE2 3.38Å; R174-E178 IonicContact NH1-OE1 3.9Å; R174-E178 PolarHBondContact NH1-OE1 2.89Å; R174-E178 IonicContact NH1-OE2 2.79Å; R174-E178 PolarHBondContact NH1-OE2 3.45Å; R174-E178 WeakPolarHBondContact O-CB 3.47Å; R174-E178 WeakPolarHBondContact O-CG 3.26Å; R174-E178 PolarHBondContact O-N 3.02Å |
| 175 | L | 97.9 | Very high | 97.9 | Very high | 63 Ų | 63 | 103 Ų | 103 | 33% | 0.33 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 177.2 | -81.8 | 158.6 | 0 | 0 | 0 | 111.9 | E171 L172 E178 Y179 | E171-L175 WeakPolarHBondContact O-CB 3.44Å; E171-L175 PolarHBondContact O-N 3.39Å; L172-L175 PolarHBondContact O-N 2.66Å; L175-E178 PolarHBondContact O-N 3.49Å; L175-Y179 HydrophobicContact CB-CE2 4.47Å; L175-Y179 HydrophobicContact CD2-CE2 4.19Å; L175-Y179 WeakPolarHBondContact O-CD2 3.34Å; L175-Y179 PolarHBondContact O-N 2.95Å |
| 176 | G | 98.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 101.2 Ų | 101.2 | 30% | 0.299 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -55.9 | -54.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L172 M173 E178 Y179 E180 | L172-G176 PolarHBondContact O-N 3.37Å; M173-G176 PolarHBondContact O-N 3.28Å; G176-E178 VanDerWaalsContact C-N 3.26Å; G176-E178 PolarHBondContact O-N 2.99Å; G176-Y179 PolarHBondContact O-N 3.39Å; G176-Y179 VanDerWaalsContact O-N 3.16Å; G176-E180 WeakPolarHBondContact O-CG 3.33Å; G176-E180 PolarHBondContact O-N 2.87Å |
| 177 | N | 97.6 | Very high | 97.8 | Very high | 101 Ų | 101 | 100.3 Ų | 100.3 | 54% | 0.54 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.6 | -35 | 177.7 | -64.2 | -12.2 | 0 | 0 | 0 | 112.7 | M173 R174 R181 | M173-N177 WeakPolarHBondContact O-CB 3.44Å; M173-N177 PolarHBondContact O-N 3.25Å; M173-N177 PolarHBondContact O-ND2 3.46Å; M173-N177 PolarHBondContact O-OD1 2.97Å; R174-N177 PolarHBondContact O-N 3.29Å; N177-R181 WeakPolarHBondContact O-CB 3.47Å; N177-R181 PolarHBondContact O-N 3.49Å |
| 178 | E | 98 | Very high | 97.9 | Very high | 65 Ų | 65 | 99.2 Ų | 99.2 | 30% | 0.304 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.2 | -41.6 | 176.2 | -79.9 | 169 | -168.2 | 0 | 0 | 112.4 | R174 L175 G176 Q182 | R174-E178 WeakPolarHBondContact CG-OE1 3.47Å; R174-E178 IonicContact CZ-OE1 3.25Å; R174-E178 IonicContact CZ-OE2 3.38Å; R174-E178 IonicContact NH1-OE1 3.9Å; R174-E178 PolarHBondContact NH1-OE1 2.89Å; R174-E178 IonicContact NH1-OE2 2.79Å; R174-E178 PolarHBondContact NH1-OE2 3.45Å; R174-E178 WeakPolarHBondContact O-CB 3.47Å; R174-E178 WeakPolarHBondContact O-CG 3.26Å; R174-E178 PolarHBondContact O-N 3.02Å; L175-E178 PolarHBondContact O-N 3.49Å; G176-E178 VanDerWaalsContact C-N 3.26Å; G176-E178 PolarHBondContact O-N 2.99Å; E178-Q182 WeakPolarHBondContact O-CB 3.26Å; E178-Q182 VanDerWaalsContact O-CG 3.26Å; E178-Q182 WeakPolarHBondContact O-CG 3.33Å; E178-Q182 PolarHBondContact O-N 2.94Å |
| 179 | Y | 97.7 | Very high | 97.9 | Very high | 139 Ų | 139 | 95.6 Ų | 95.6 | 55% | 0.545 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.1 | -42.1 | 174.4 | -73.3 | -57.5 | 0 | 0 | 0 | 112.4 | L175 G176 R181 Q182 I183 | L175-Y179 HydrophobicContact CB-CE2 4.47Å; L175-Y179 HydrophobicContact CD2-CE2 4.19Å; L175-Y179 WeakPolarHBondContact O-CD2 3.34Å; L175-Y179 PolarHBondContact O-N 2.95Å; G176-Y179 PolarHBondContact O-N 3.39Å; G176-Y179 VanDerWaalsContact O-N 3.16Å; Y179-R181 VanDerWaalsContact C-N 3.33Å; Y179-R181 PolarHBondContact O-N 2.86Å; Y179-Q182 PolarHBondContact O-N 2.9Å; Y179-I183 WeakPolarHBondContact O-CB 3.48Å; Y179-I183 VanDerWaalsContact O-CG1 3.28Å; Y179-I183 WeakPolarHBondContact O-CG1 3.11Å; Y179-I183 PolarHBondContact O-N 2.95Å |
| 180 | E | 97.9 | Very high | 97.9 | Very high | 131 Ų | 131 | 95.6 Ų | 95.6 | 61% | 0.612 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -57.6 | -46.5 | 173.8 | -74.5 | 178.4 | -174.2 | 0 | 0 | 111.1 | G176 Q182 I183 H184 | G176-E180 WeakPolarHBondContact O-CG 3.33Å; G176-E180 PolarHBondContact O-N 2.87Å; E180-Q182 PolarHBondContact O-N 3.01Å; E180-I183 PolarHBondContact O-N 2.96Å; E180-H184 WeakPolarHBondContact O-CB 3.42Å; E180-H184 PolarHBondContact O-N 3.37Å |
| 181 | R | 98.1 | Very high | 97.9 | Very high | 144 Ų | 144 | 98.5 Ų | 98.5 | 54% | 0.543 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 175.3 | -174.9 | 174.1 | 70.4 | 95.6 | -4.7 | 112.2 | N177 Y179 H184 E185 | N177-R181 WeakPolarHBondContact O-CB 3.47Å; N177-R181 PolarHBondContact O-N 3.49Å; Y179-R181 VanDerWaalsContact C-N 3.33Å; Y179-R181 PolarHBondContact O-N 2.86Å; R181-H184 PolarHBondContact O-N 3.16Å; R181-E185 WeakPolarHBondContact CD-OE1 3.33Å; R181-E185 HydrophobicContact CG-CG 4.37Å; R181-E185 VanDerWaalsContact CG-OE1 3.26Å; R181-E185 WeakPolarHBondContact CG-OE1 3.24Å; R181-E185 IonicContact CZ-OE1 2.71Å; R181-E185 IonicContact NE-OE1 2.81Å; R181-E185 IonicContact NH1-OE1 2.93Å; R181-E185 PolarHBondContact NH1-OE1 3.07Å; R181-E185 IonicContact NH1-OE2 3.83Å; R181-E185 WeakPolarHBondContact O-CB 3.28Å; R181-E185 WeakPolarHBondContact O-CG 3.47Å; R181-E185 PolarHBondContact O-N 3.5Å |
| 182 | Q | 97.9 | Very high | 97.9 | Very high | 102 Ų | 102 | 99 Ų | 99 | 48% | 0.477 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 177.9 | -76 | 173.6 | 20 | 0 | 0 | 112.3 | E178 Y179 E180 L186 | E178-Q182 WeakPolarHBondContact O-CB 3.26Å; E178-Q182 VanDerWaalsContact O-CG 3.26Å; E178-Q182 WeakPolarHBondContact O-CG 3.33Å; E178-Q182 PolarHBondContact O-N 2.94Å; Y179-Q182 PolarHBondContact O-N 2.9Å; E180-Q182 PolarHBondContact O-N 3.01Å; Q182-L186 VanDerWaalsContact O-CB 3.22Å; Q182-L186 WeakPolarHBondContact O-CB 3.43Å; Q182-L186 PolarHBondContact O-N 2.86Å |
| 183 | I | 97.9 | Very high | 97.9 | Very high | 93 Ų | 93 | 101.3 Ų | 101.3 | 48% | 0.477 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 175.5 | -70.7 | 163.7 | 0 | 0 | 0 | 109.6 | Y179 E180 L186 E187 | Y179-I183 WeakPolarHBondContact O-CB 3.48Å; Y179-I183 VanDerWaalsContact O-CG1 3.28Å; Y179-I183 WeakPolarHBondContact O-CG1 3.11Å; Y179-I183 PolarHBondContact O-N 2.95Å; E180-I183 PolarHBondContact O-N 2.96Å; I183-L186 WeakPolarHBondContact O-CB 3.41Å; I183-L186 PolarHBondContact O-N 3.48Å; I183-E187 HydrophobicContact CG2-CG 4.26Å; I183-E187 WeakPolarHBondContact O-CB 3.21Å; I183-E187 VanDerWaalsContact O-CG 3.3Å; I183-E187 WeakPolarHBondContact O-CG 3.22Å; I183-E187 PolarHBondContact O-N 2.99Å |
| 184 | H | 98 | Very high | 97.9 | Very high | 120 Ų | 120 | 98.4 Ų | 98.4 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.9 | -39.1 | -177.8 | -141.1 | 50.8 | 0 | 0 | 0 | 113 | E180 R181 L186 E187 M188 | E180-H184 WeakPolarHBondContact O-CB 3.42Å; E180-H184 PolarHBondContact O-N 3.37Å; R181-H184 PolarHBondContact O-N 3.16Å; H184-L186 VanDerWaalsContact C-N 3.33Å; H184-L186 PolarHBondContact O-N 3.23Å; H184-E187 IonicContact CE1-OE2 3.49Å; H184-E187 IonicContact ND1-OE2 3.9Å; H184-E187 PolarHBondContact ND1-OE2 2.94Å; H184-M188 WeakPolarHBondContact O-CB 3.45Å; H184-M188 VanDerWaalsContact O-CG 3.24Å; H184-M188 WeakPolarHBondContact O-CG 3.45Å; H184-M188 PolarHBondContact O-N 3.32Å |
| 185 | E | 97.9 | Very high | 97.8 | Very high | 102 Ų | 102 | 97.7 Ų | 97.7 | 48% | 0.477 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 171.9 | -75.2 | 172.8 | -170.4 | 0 | 0 | 111.6 | R181 S189 | R181-E185 WeakPolarHBondContact CD-OE1 3.33Å; R181-E185 HydrophobicContact CG-CG 4.37Å; R181-E185 VanDerWaalsContact CG-OE1 3.26Å; R181-E185 WeakPolarHBondContact CG-OE1 3.24Å; R181-E185 IonicContact CZ-OE1 2.71Å; R181-E185 IonicContact NE-OE1 2.81Å; R181-E185 IonicContact NH1-OE1 2.93Å; R181-E185 PolarHBondContact NH1-OE1 3.07Å; R181-E185 IonicContact NH1-OE2 3.83Å; R181-E185 WeakPolarHBondContact O-CB 3.28Å; R181-E185 WeakPolarHBondContact O-CG 3.47Å; R181-E185 PolarHBondContact O-N 3.5Å; E185-S189 WeakPolarHBondContact O-CB 3.2Å; E185-S189 PolarHBondContact O-N 2.98Å |
| 186 | L | 97.8 | Very high | 97.8 | Very high | 98 Ų | 98 | 98.1 Ų | 98.1 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -51.5 | 176.3 | -171.7 | 98.7 | 0 | 0 | 0 | 111.4 | Q182 I183 H184 M188 S189 F190 | Q182-L186 VanDerWaalsContact O-CB 3.22Å; Q182-L186 WeakPolarHBondContact O-CB 3.43Å; Q182-L186 PolarHBondContact O-N 2.86Å; I183-L186 WeakPolarHBondContact O-CB 3.41Å; I183-L186 PolarHBondContact O-N 3.48Å; H184-L186 VanDerWaalsContact C-N 3.33Å; H184-L186 PolarHBondContact O-N 3.23Å; L186-M188 PolarHBondContact O-N 3.04Å; L186-S189 WeakPolarHBondContact O-CB 3.49Å; L186-S189 PolarHBondContact O-N 2.92Å; L186-S189 VanDerWaalsContact O-N 3.15Å; L186-S189 PolarHBondContact O-OG 3.12Å; L186-F190 HydrophobicContact CD1-CE2 4.04Å; L186-F190 HydrophobicContact CD2-CD2 4.25Å; L186-F190 HydrophobicContact CD2-CE2 3.88Å; L186-F190 HydrophobicContact CG-CD2 3.92Å; L186-F190 HydrophobicContact CG-CE2 3.66Å; L186-F190 VanDerWaalsContact O-CD2 3.27Å; L186-F190 WeakPolarHBondContact O-CD2 3.36Å; L186-F190 PolarHBondContact O-N 2.83Å |
| 187 | E | 97.6 | Very high | 97.8 | Very high | 93 Ų | 93 | 102.2 Ų | 102.2 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -54.2 | -51.1 | 176.1 | -74.8 | 174.7 | 155 | 0 | 0 | 111.4 | I183 H184 S189 F190 L191 | I183-E187 HydrophobicContact CG2-CG 4.26Å; I183-E187 WeakPolarHBondContact O-CB 3.21Å; I183-E187 VanDerWaalsContact O-CG 3.3Å; I183-E187 WeakPolarHBondContact O-CG 3.22Å; I183-E187 PolarHBondContact O-N 2.99Å; H184-E187 IonicContact CE1-OE2 3.49Å; H184-E187 IonicContact ND1-OE2 3.9Å; H184-E187 PolarHBondContact ND1-OE2 2.94Å; E187-S189 VanDerWaalsContact C-N 3.3Å; E187-S189 PolarHBondContact O-N 3.46Å; E187-F190 PolarHBondContact O-N 2.73Å; E187-F190 VanDerWaalsContact O-N 3.12Å; E187-L191 WeakPolarHBondContact O-CG 3.39Å; E187-L191 PolarHBondContact O-N 3.01Å |
| 188 | M | 97.8 | Very high | 97.8 | Very high | 87 Ų | 87 | 103.8 Ų | 103.8 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 177.8 | -72.6 | -61 | -66.2 | 0 | 0 | 111.9 | H184 L186 F190 L191 Q192 | H184-M188 WeakPolarHBondContact O-CB 3.45Å; H184-M188 VanDerWaalsContact O-CG 3.24Å; H184-M188 WeakPolarHBondContact O-CG 3.45Å; H184-M188 PolarHBondContact O-N 3.32Å; L186-M188 PolarHBondContact O-N 3.04Å; M188-F190 VanDerWaalsContact C-N 3.35Å; M188-F190 PolarHBondContact O-N 3.21Å; M188-L191 PolarHBondContact O-N 3.37Å; M188-L191 HydrophobicContact SD-CD1 4.24Å; M188-Q192 WeakPolarHBondContact O-CB 3.45Å; M188-Q192 WeakPolarHBondContact O-CG 3.3Å; M188-Q192 PolarHBondContact O-N 3.15Å |
| 189 | S | 97.9 | Very high | 97.8 | Very high | 31 Ų | 31 | 104.4 Ų | 104.4 | 22% | 0.217 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 175 | 85.7 | 0 | 0 | 0 | 0 | 112.6 | E185 L186 E187 R193 | E185-S189 WeakPolarHBondContact O-CB 3.2Å; E185-S189 PolarHBondContact O-N 2.98Å; L186-S189 WeakPolarHBondContact O-CB 3.49Å; L186-S189 PolarHBondContact O-N 2.92Å; L186-S189 VanDerWaalsContact O-N 3.15Å; L186-S189 PolarHBondContact O-OG 3.12Å; E187-S189 VanDerWaalsContact C-N 3.3Å; E187-S189 PolarHBondContact O-N 3.46Å; S189-R193 WeakPolarHBondContact O-CB 3.41Å; S189-R193 WeakPolarHBondContact O-CD 3.27Å; S189-R193 WeakPolarHBondContact O-CG 3.46Å; S189-R193 PolarHBondContact O-N 3.48Å |
| 190 | F | 97.8 | Very high | 97.8 | Very high | 114 Ų | 114 | 99.8 Ų | 99.8 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.1 | -42.7 | 176.6 | -81.1 | -63.6 | 0 | 0 | 0 | 112 | L186 E187 M188 Q192 R193 A194 | L186-F190 HydrophobicContact CD1-CE2 4.04Å; L186-F190 HydrophobicContact CD2-CD2 4.25Å; L186-F190 HydrophobicContact CD2-CE2 3.88Å; L186-F190 HydrophobicContact CG-CD2 3.92Å; L186-F190 HydrophobicContact CG-CE2 3.66Å; L186-F190 VanDerWaalsContact O-CD2 3.27Å; L186-F190 WeakPolarHBondContact O-CD2 3.36Å; L186-F190 PolarHBondContact O-N 2.83Å; E187-F190 PolarHBondContact O-N 2.73Å; E187-F190 VanDerWaalsContact O-N 3.12Å; M188-F190 VanDerWaalsContact C-N 3.35Å; M188-F190 PolarHBondContact O-N 3.21Å; F190-Q192 PolarHBondContact O-N 3.49Å; F190-R193 PolarHBondContact O-N 2.71Å; F190-A194 WeakPolarHBondContact O-CB 3.3Å; F190-A194 PolarHBondContact O-N 3.2Å |
| 191 | L | 97.6 | Very high | 97.7 | Very high | 113 Ų | 113 | 98.4 Ų | 98.4 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.5 | -44.6 | 174.5 | -70.6 | 172.3 | 0 | 0 | 0 | 111.6 | E187 M188 A194 H195 | E187-L191 WeakPolarHBondContact O-CG 3.39Å; E187-L191 PolarHBondContact O-N 3.01Å; M188-L191 PolarHBondContact O-N 3.37Å; M188-L191 HydrophobicContact SD-CD1 4.24Å; L191-A194 PolarHBondContact O-N 3Å; L191-H195 VanDerWaalsContact O-CB 3.3Å; L191-H195 WeakPolarHBondContact O-CB 3.3Å; L191-H195 PolarHBondContact O-N 3.27Å |
| 192 | Q | 98.1 | Very high | 97.7 | Very high | 120 Ų | 120 | 93.8 Ų | 93.8 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62 | -43.1 | 175.7 | -74.3 | 173.1 | 7.8 | 0 | 0 | 112.4 | M188 F190 S196 | M188-Q192 WeakPolarHBondContact O-CB 3.45Å; M188-Q192 WeakPolarHBondContact O-CG 3.3Å; M188-Q192 PolarHBondContact O-N 3.15Å; F190-Q192 PolarHBondContact O-N 3.49Å; Q192-S196 VanDerWaalsContact O-CB 3.3Å; Q192-S196 WeakPolarHBondContact O-CB 3.36Å; Q192-S196 PolarHBondContact O-N 3.3Å; Q192-S196 PolarHBondContact O-OG 2.93Å |
| 193 | R | 97.9 | Very high | 97.7 | Very high | 147 Ų | 147 | 96.9 Ų | 96.9 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63 | -47.8 | 175.3 | -74 | 167.3 | -175.1 | 165.5 | 3.3 | 111.6 | S189 F190 S196 L197 | S189-R193 WeakPolarHBondContact O-CB 3.41Å; S189-R193 WeakPolarHBondContact O-CD 3.27Å; S189-R193 WeakPolarHBondContact O-CG 3.46Å; S189-R193 PolarHBondContact O-N 3.48Å; F190-R193 PolarHBondContact O-N 2.71Å; R193-S196 PolarHBondContact O-N 3.5Å; R193-L197 WeakPolarHBondContact O-CG 3.38Å; R193-L197 PolarHBondContact O-N 2.96Å |
| 194 | A | 97.3 | Very high | 97.7 | Very high | 52 Ų | 52 | 98.4 Ų | 98.4 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F190 L191 S196 L197 M198 | F190-A194 WeakPolarHBondContact O-CB 3.3Å; F190-A194 PolarHBondContact O-N 3.2Å; L191-A194 PolarHBondContact O-N 3Å; A194-S196 PolarHBondContact O-N 3.4Å; A194-L197 PolarHBondContact O-N 2.94Å; A194-M198 WeakPolarHBondContact O-CB 3.19Å; A194-M198 PolarHBondContact O-N 3.5Å |
| 195 | H | 97.8 | Very high | 97.7 | Very high | 107 Ų | 107 | 99.8 Ų | 99.8 | 50% | 0.495 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 175.8 | 178.5 | -116.4 | 0 | 0 | 0 | 112.2 | L191 M198 Q199 | L191-H195 VanDerWaalsContact O-CB 3.3Å; L191-H195 WeakPolarHBondContact O-CB 3.3Å; L191-H195 PolarHBondContact O-N 3.27Å; H195-M198 PolarHBondContact O-N 2.91Å; H195-Q199 PolarHBondContact CE1-NE2 3.44Å; H195-Q199 PolarHBondContact NE2-NE2 2.92Å; H195-Q199 VanDerWaalsContact NE2-NE2 3.2Å; H195-Q199 WeakPolarHBondContact O-CG 3.44Å; H195-Q199 PolarHBondContact O-N 3.45Å |
| 196 | S | 97.6 | Very high | 97.7 | Very high | 73 Ų | 73 | 102.5 Ų | 102.5 | 51% | 0.51 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 177.1 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | Q192 R193 A194 Q199 A200 | Q192-S196 VanDerWaalsContact O-CB 3.3Å; Q192-S196 WeakPolarHBondContact O-CB 3.36Å; Q192-S196 PolarHBondContact O-N 3.3Å; Q192-S196 PolarHBondContact O-OG 2.93Å; R193-S196 PolarHBondContact O-N 3.5Å; A194-S196 PolarHBondContact O-N 3.4Å; S196-Q199 PolarHBondContact O-N 2.88Å; S196-A200 WeakPolarHBondContact O-CB 3.4Å; S196-A200 PolarHBondContact O-N 2.87Å |
| 197 | L | 97.8 | Very high | 97.7 | Very high | 114 Ų | 114 | 100.7 Ų | 100.7 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 174 | -73.4 | 169.9 | 0 | 0 | 0 | 111.5 | R193 A194 Q199 A200 E201 | R193-L197 WeakPolarHBondContact O-CG 3.38Å; R193-L197 PolarHBondContact O-N 2.96Å; A194-L197 PolarHBondContact O-N 2.94Å; L197-Q199 PolarHBondContact O-N 3.1Å; L197-A200 WeakPolarHBondContact O-CB 3.31Å; L197-A200 PolarHBondContact O-N 2.94Å; L197-A200 VanDerWaalsContact O-N 3.1Å; L197-E201 PolarHBondContact O-N 3.36Å |
| 198 | M | 97.4 | Very high | 97.7 | Very high | 134 Ų | 134 | 98.7 Ų | 98.7 | 66% | 0.66 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.9 | -45.7 | 177.3 | -168.3 | -172 | -58.5 | 0 | 0 | 111.3 | A194 H195 A200 E201 D202 | A194-M198 WeakPolarHBondContact O-CB 3.19Å; A194-M198 PolarHBondContact O-N 3.5Å; H195-M198 PolarHBondContact O-N 2.91Å; M198-A200 VanDerWaalsContact C-N 3.34Å; M198-A200 PolarHBondContact O-N 3.48Å; M198-E201 PolarHBondContact O-N 3.42Å; M198-D202 VanDerWaalsContact O-CB 3.31Å; M198-D202 WeakPolarHBondContact O-CB 3.44Å; M198-D202 PolarHBondContact O-N 3.37Å |
| 199 | Q | 97.8 | Very high | 97.7 | Very high | 79 Ų | 79 | 97.9 Ų | 97.9 | 37% | 0.369 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 174 | -73 | -162.5 | 11.2 | 0 | 0 | 113.1 | H195 S196 L197 R203 | H195-Q199 PolarHBondContact CE1-NE2 3.44Å; H195-Q199 PolarHBondContact NE2-NE2 2.92Å; H195-Q199 VanDerWaalsContact NE2-NE2 3.2Å; H195-Q199 WeakPolarHBondContact O-CG 3.44Å; H195-Q199 PolarHBondContact O-N 3.45Å; S196-Q199 PolarHBondContact O-N 2.88Å; L197-Q199 PolarHBondContact O-N 3.1Å; Q199-R203 WeakPolarHBondContact O-CB 3.36Å; Q199-R203 WeakPolarHBondContact O-CG 3.49Å; Q199-R203 PolarHBondContact O-N 3.01Å |
| 200 | A | 97.6 | Very high | 97.7 | Very high | 41 Ų | 41 | 99.7 Ų | 99.7 | 34% | 0.339 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -45.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S196 L197 M198 R203 K204 | S196-A200 WeakPolarHBondContact O-CB 3.4Å; S196-A200 PolarHBondContact O-N 2.87Å; L197-A200 WeakPolarHBondContact O-CB 3.31Å; L197-A200 PolarHBondContact O-N 2.94Å; L197-A200 VanDerWaalsContact O-N 3.1Å; M198-A200 VanDerWaalsContact C-N 3.34Å; M198-A200 PolarHBondContact O-N 3.48Å; A200-R203 PolarHBondContact O-N 3.22Å; A200-K204 WeakPolarHBondContact O-CG 3.43Å; A200-K204 PolarHBondContact O-N 2.79Å |
| 201 | E | 97.3 | Very high | 97.7 | Very high | 102 Ų | 102 | 99 Ų | 99 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 175.1 | -67.5 | -49.6 | 130.3 | 0 | 0 | 112.1 | L197 M198 R203 K204 R205 | L197-E201 PolarHBondContact O-N 3.36Å; M198-E201 PolarHBondContact O-N 3.42Å; E201-R203 VanDerWaalsContact C-N 3.32Å; E201-R203 PolarHBondContact O-N 2.95Å; E201-K204 WeakPolarHBondContact O-CB 3.44Å; E201-K204 PolarHBondContact O-N 3.38Å; E201-K204 IonicContact OE1-NZ 3.97Å; E201-K204 PolarHBondContact OE1-NZ 2.93Å; E201-K204 WeakPolarHBondContact OE2-CD 3.44Å; E201-K204 IonicContact OE2-NZ 3.05Å; E201-R205 WeakPolarHBondContact O-CB 3.43Å; E201-R205 PolarHBondContact O-N 3.29Å |
| 202 | D | 97.7 | Very high | 97.7 | Very high | 47 Ų | 47 | 98 Ų | 98 | 25% | 0.251 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.4 | -32.2 | 178.4 | -148.2 | 36.7 | 0 | 0 | 0 | 111.9 | M198 R205 R206 | M198-D202 VanDerWaalsContact O-CB 3.31Å; M198-D202 WeakPolarHBondContact O-CB 3.44Å; M198-D202 PolarHBondContact O-N 3.37Å; D202-R205 IonicContact OD1-CZ 2.65Å; D202-R205 VanDerWaalsContact OD1-CZ 3.25Å; D202-R205 IonicContact OD1-NE 3.78Å; D202-R205 PolarHBondContact OD1-NE 2.91Å; D202-R205 IonicContact OD1-NH2 3.58Å; D202-R205 PolarHBondContact OD1-NH2 3.4Å; D202-R205 IonicContact OD2-NH2 2.97Å; D202-R206 WeakPolarHBondContact O-CB 3.2Å; D202-R206 WeakPolarHBondContact O-CG 3.47Å; D202-R206 PolarHBondContact O-N 3.47Å; D202-R206 IonicContact OD2-CZ 3.78Å; D202-R206 IonicContact OD2-NE 3.83Å; D202-R206 PolarHBondContact OD2-NE 3.49Å; D202-R206 IonicContact OD2-NH2 2.75Å; D202-R206 PolarHBondContact OD2-NH2 2.71Å |
| 203 | R | 98 | Very high | 97.7 | Very high | 168 Ų | 168 | 97 Ų | 97 | 63% | 0.634 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.7 | -46 | 169 | -72.4 | 169.7 | -160.6 | -173 | 8.6 | 111.9 | Q199 A200 E201 R205 R206 A207 | Q199-R203 WeakPolarHBondContact O-CB 3.36Å; Q199-R203 WeakPolarHBondContact O-CG 3.49Å; Q199-R203 PolarHBondContact O-N 3.01Å; A200-R203 PolarHBondContact O-N 3.22Å; E201-R203 VanDerWaalsContact C-N 3.32Å; E201-R203 PolarHBondContact O-N 2.95Å; R203-R205 PolarHBondContact O-N 2.66Å; R203-R206 PolarHBondContact O-N 2.94Å; R203-A207 WeakPolarHBondContact O-CB 3.42Å; R203-A207 PolarHBondContact O-N 2.93Å |
| 204 | K | 97.7 | Very high | 97.7 | Very high | 125 Ų | 125 | 94.8 Ų | 94.8 | 54% | 0.543 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 175.1 | -71.2 | 171.7 | -176.5 | 174.3 | 0 | 111.3 | A200 E201 A207 A208 | A200-K204 WeakPolarHBondContact O-CG 3.43Å; A200-K204 PolarHBondContact O-N 2.79Å; E201-K204 WeakPolarHBondContact O-CB 3.44Å; E201-K204 PolarHBondContact O-N 3.38Å; E201-K204 IonicContact OE1-NZ 3.97Å; E201-K204 PolarHBondContact OE1-NZ 2.93Å; E201-K204 WeakPolarHBondContact OE2-CD 3.44Å; E201-K204 IonicContact OE2-NZ 3.05Å; K204-A207 PolarHBondContact O-N 2.89Å; K204-A208 WeakPolarHBondContact O-CB 3.49Å; K204-A208 PolarHBondContact O-N 3.42Å |
| 205 | R | 97.8 | Very high | 97.7 | Very high | 148 Ų | 148 | 99.8 Ų | 99.8 | 56% | 0.558 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.3 | -47.7 | 177.7 | -172.9 | -178.7 | 68 | 89.3 | -3.2 | 111.7 | E201 D202 R203 A208 V209 | E201-R205 WeakPolarHBondContact O-CB 3.43Å; E201-R205 PolarHBondContact O-N 3.29Å; D202-R205 IonicContact OD1-CZ 2.65Å; D202-R205 VanDerWaalsContact OD1-CZ 3.25Å; D202-R205 IonicContact OD1-NE 3.78Å; D202-R205 PolarHBondContact OD1-NE 2.91Å; D202-R205 IonicContact OD1-NH2 3.58Å; D202-R205 PolarHBondContact OD1-NH2 3.4Å; D202-R205 IonicContact OD2-NH2 2.97Å; R203-R205 PolarHBondContact O-N 2.66Å; R205-A208 PolarHBondContact O-N 2.85Å; R205-V209 VanDerWaalsContact O-CG2 3.32Å; R205-V209 WeakPolarHBondContact O-CG2 3.38Å; R205-V209 PolarHBondContact O-N 2.81Å |
| 206 | R | 97.9 | Very high | 97.7 | Very high | 160 Ų | 160 | 100 Ų | 100 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.7 | -41.1 | 176.6 | -71 | 171.8 | -159.4 | -151.3 | 7 | 112.3 | D202 R203 V209 S210 | D202-R206 WeakPolarHBondContact O-CB 3.2Å; D202-R206 WeakPolarHBondContact O-CG 3.47Å; D202-R206 PolarHBondContact O-N 3.47Å; D202-R206 IonicContact OD2-CZ 3.78Å; D202-R206 IonicContact OD2-NE 3.83Å; D202-R206 PolarHBondContact OD2-NE 3.49Å; D202-R206 IonicContact OD2-NH2 2.75Å; D202-R206 PolarHBondContact OD2-NH2 2.71Å; R203-R206 PolarHBondContact O-N 2.94Å; R206-V209 PolarHBondContact O-N 3.36Å; R206-S210 WeakPolarHBondContact O-CB 3.49Å; R206-S210 PolarHBondContact O-N 3Å |
| 207 | A | 97.6 | Very high | 97.7 | Very high | 60 Ų | 60 | 101.1 Ų | 101.1 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R203 K204 V209 S210 E211 | R203-A207 WeakPolarHBondContact O-CB 3.42Å; R203-A207 PolarHBondContact O-N 2.93Å; K204-A207 PolarHBondContact O-N 2.89Å; A207-V209 PolarHBondContact O-N 3.46Å; A207-S210 PolarHBondContact O-N 2.65Å; A207-E211 WeakPolarHBondContact O-CB 3.5Å; A207-E211 PolarHBondContact O-N 2.93Å |
| 208 | A | 97.4 | Very high | 97.7 | Very high | 50 Ų | 50 | 98.2 Ų | 98.2 | 41% | 0.413 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K204 R205 E211 V212 | K204-A208 WeakPolarHBondContact O-CB 3.49Å; K204-A208 PolarHBondContact O-N 3.42Å; R205-A208 PolarHBondContact O-N 2.85Å; A208-E211 PolarHBondContact O-N 3.47Å; A208-V212 WeakPolarHBondContact O-CG2 3.47Å; A208-V212 PolarHBondContact O-N 3.32Å |
| 209 | V | 98 | Very high | 97.7 | Very high | 70 Ų | 70 | 100.9 Ų | 100.9 | 42% | 0.424 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 173.1 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | R205 R206 A207 E211 V212 E213 | R205-V209 VanDerWaalsContact O-CG2 3.32Å; R205-V209 WeakPolarHBondContact O-CG2 3.38Å; R205-V209 PolarHBondContact O-N 2.81Å; R206-V209 PolarHBondContact O-N 3.36Å; A207-V209 PolarHBondContact O-N 3.46Å; V209-E211 VanDerWaalsContact C-N 3.29Å; V209-E211 PolarHBondContact O-N 3.44Å; V209-V212 PolarHBondContact O-N 3.38Å; V209-E213 HydrophobicContact CG1-CG 4.37Å; V209-E213 WeakPolarHBondContact CG1-OE1 3.32Å; V209-E213 WeakPolarHBondContact O-CB 3.38Å; V209-E213 WeakPolarHBondContact O-CG 3.36Å; V209-E213 PolarHBondContact O-N 2.97Å |
| 210 | S | 97.6 | Very high | 97.6 | Very high | 70 Ų | 70 | 102.5 Ų | 102.5 | 49% | 0.49 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -35.1 | 178.3 | -171.2 | 0 | 0 | 0 | 0 | 112.9 | R206 A207 Q214 | R206-S210 WeakPolarHBondContact O-CB 3.49Å; R206-S210 PolarHBondContact O-N 3Å; A207-S210 PolarHBondContact O-N 2.65Å; S210-Q214 WeakPolarHBondContact O-CB 3.48Å; S210-Q214 PolarHBondContact O-N 2.96Å |
| 211 | E | 98.1 | Very high | 97.6 | Very high | 99 Ų | 99 | 106 Ų | 106 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 175.8 | -172.9 | -172.7 | 163.1 | 0 | 0 | 111.5 | A207 A208 V209 Q214 R215 | A207-E211 WeakPolarHBondContact O-CB 3.5Å; A207-E211 PolarHBondContact O-N 2.93Å; A208-E211 PolarHBondContact O-N 3.47Å; V209-E211 VanDerWaalsContact C-N 3.29Å; V209-E211 PolarHBondContact O-N 3.44Å; E211-Q214 PolarHBondContact O-N 2.85Å; E211-R215 WeakPolarHBondContact O-CB 3.38Å; E211-R215 WeakPolarHBondContact O-CG 3.33Å; E211-R215 PolarHBondContact O-N 3.4Å; E211-R215 IonicContact OE1-CZ 2.85Å; E211-R215 IonicContact OE1-NH1 3.9Å; E211-R215 PolarHBondContact OE1-NH1 2.95Å; E211-R215 IonicContact OE1-NH2 2.7Å; E211-R215 PolarHBondContact OE1-NH2 3.23Å |
| 212 | V | 97.9 | Very high | 97.6 | Very high | 93 Ų | 93 | 103.8 Ų | 103.8 | 56% | 0.564 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.8 | -44.3 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | A208 V209 Q214 R215 M216 | A208-V212 WeakPolarHBondContact O-CG2 3.47Å; A208-V212 PolarHBondContact O-N 3.32Å; V209-V212 PolarHBondContact O-N 3.38Å; V212-Q214 VanDerWaalsContact C-N 3.35Å; V212-Q214 PolarHBondContact O-N 3.22Å; V212-R215 PolarHBondContact O-N 2.98Å; V212-M216 WeakPolarHBondContact O-CB 3.37Å; V212-M216 PolarHBondContact O-N 2.85Å |
| 213 | E | 97.4 | Very high | 97.6 | Very high | 97 Ų | 97 | 105.6 Ų | 105.6 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 174.6 | -77 | -177.1 | -162.4 | 0 | 0 | 111.8 | V209 M216 K217 | V209-E213 HydrophobicContact CG1-CG 4.37Å; V209-E213 WeakPolarHBondContact CG1-OE1 3.32Å; V209-E213 WeakPolarHBondContact O-CB 3.38Å; V209-E213 WeakPolarHBondContact O-CG 3.36Å; V209-E213 PolarHBondContact O-N 2.97Å; E213-M216 PolarHBondContact O-N 3.4Å; E213-K217 WeakPolarHBondContact O-CB 3.38Å; E213-K217 VanDerWaalsContact O-CG 3.3Å; E213-K217 WeakPolarHBondContact O-CG 3.49Å; E213-K217 PolarHBondContact O-N 3.29Å; E213-K217 IonicContact OE2-NZ 2.6Å |
| 214 | Q | 97.4 | Very high | 97.6 | Very high | 101 Ų | 101 | 102 Ų | 102 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 179.3 | -170.9 | 59.4 | 29.8 | 0 | 0 | 111.6 | S210 E211 V212 M216 K217 S218 | S210-Q214 WeakPolarHBondContact O-CB 3.48Å; S210-Q214 PolarHBondContact O-N 2.96Å; E211-Q214 PolarHBondContact O-N 2.85Å; V212-Q214 VanDerWaalsContact C-N 3.35Å; V212-Q214 PolarHBondContact O-N 3.22Å; Q214-M216 VanDerWaalsContact C-N 3.29Å; Q214-M216 PolarHBondContact O-N 3.04Å; Q214-K217 PolarHBondContact O-N 2.86Å; Q214-S218 PolarHBondContact O-N 3.34Å; Q214-S218 PolarHBondContact O-OG 3.06Å |
| 215 | R | 97.9 | Very high | 97.5 | Very high | 158 Ų | 158 | 102.6 Ų | 102.6 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.8 | -42 | 172.4 | -77.7 | 176 | 170.8 | 138.9 | 8.9 | 112 | E211 V212 R219 | E211-R215 WeakPolarHBondContact O-CB 3.38Å; E211-R215 WeakPolarHBondContact O-CG 3.33Å; E211-R215 PolarHBondContact O-N 3.4Å; E211-R215 IonicContact OE1-CZ 2.85Å; E211-R215 IonicContact OE1-NH1 3.9Å; E211-R215 PolarHBondContact OE1-NH1 2.95Å; E211-R215 IonicContact OE1-NH2 2.7Å; E211-R215 PolarHBondContact OE1-NH2 3.23Å; V212-R215 PolarHBondContact O-N 2.98Å; R215-R219 WeakPolarHBondContact O-CB 3.43Å; R215-R219 PolarHBondContact O-N 3.4Å |
| 216 | M | 97.6 | Very high | 97.5 | Very high | 110 Ų | 110 | 100.3 Ų | 100.3 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.6 | -40.8 | 179.7 | -168.3 | 63.6 | 177.8 | 0 | 0 | 111.9 | V212 E213 Q214 R219 M220 | V212-M216 WeakPolarHBondContact O-CB 3.37Å; V212-M216 PolarHBondContact O-N 2.85Å; E213-M216 PolarHBondContact O-N 3.4Å; Q214-M216 VanDerWaalsContact C-N 3.29Å; Q214-M216 PolarHBondContact O-N 3.04Å; M216-R219 PolarHBondContact O-N 3Å; M216-M220 WeakPolarHBondContact O-CB 3.42Å; M216-M220 PolarHBondContact O-N 3Å |
| 217 | K | 97.7 | Very high | 97.5 | Very high | 97 Ų | 97 | 97.2 Ų | 97.2 | 42% | 0.422 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.6 | -53.7 | 172.9 | -73.8 | 165.6 | -173.7 | 162.2 | 0 | 110.9 | E213 Q214 R219 M220 E221 | E213-K217 WeakPolarHBondContact O-CB 3.38Å; E213-K217 VanDerWaalsContact O-CG 3.3Å; E213-K217 WeakPolarHBondContact O-CG 3.49Å; E213-K217 PolarHBondContact O-N 3.29Å; E213-K217 IonicContact OE2-NZ 2.6Å; Q214-K217 PolarHBondContact O-N 2.86Å; K217-R219 VanDerWaalsContact C-N 3.29Å; K217-R219 PolarHBondContact O-N 3.34Å; K217-M220 WeakPolarHBondContact O-CA 3.47Å; K217-M220 WeakPolarHBondContact O-CB 3.3Å; K217-M220 PolarHBondContact O-N 3.27Å; K217-E221 WeakPolarHBondContact O-CG 3.37Å; K217-E221 PolarHBondContact O-N 2.93Å |
| 218 | S | 97.6 | Very high | 97.4 | Very high | 54 Ų | 54 | 98.8 Ų | 98.8 | 38% | 0.378 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -31.8 | 179.4 | -60.6 | 0 | 0 | 0 | 0 | 113.7 | Q214 E221 A222 | Q214-S218 PolarHBondContact O-N 3.34Å; Q214-S218 PolarHBondContact O-OG 3.06Å; S218-E221 WeakPolarHBondContact CA-OE2 3.4Å; S218-A222 WeakPolarHBondContact O-CB 3.28Å; S218-A222 PolarHBondContact O-N 3.44Å |
| 219 | R | 97.4 | Very high | 97.4 | Very high | 189 Ų | 189 | 102.6 Ų | 102.6 | 71% | 0.713 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.5 | -38.6 | 171 | -174.6 | 178.1 | 179.3 | -172.7 | -0 | 112.3 | R215 M216 K217 L223 | R215-R219 WeakPolarHBondContact O-CB 3.43Å; R215-R219 PolarHBondContact O-N 3.4Å; M216-R219 PolarHBondContact O-N 3Å; K217-R219 VanDerWaalsContact C-N 3.29Å; K217-R219 PolarHBondContact O-N 3.34Å; R219-L223 WeakPolarHBondContact O-CB 3.38Å; R219-L223 PolarHBondContact O-N 2.86Å |
| 220 | M | 97.1 | Very high | 97.3 | Very high | 114 Ų | 114 | 103.3 Ų | 103.3 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.2 | -42.9 | 176.7 | -171.5 | -177.6 | -62.4 | 0 | 0 | 111.2 | M216 K217 L223 M224 | M216-M220 WeakPolarHBondContact O-CB 3.42Å; M216-M220 PolarHBondContact O-N 3Å; K217-M220 WeakPolarHBondContact O-CA 3.47Å; K217-M220 WeakPolarHBondContact O-CB 3.3Å; K217-M220 PolarHBondContact O-N 3.27Å; M220-L223 PolarHBondContact O-N 2.92Å; M220-M224 WeakPolarHBondContact O-CB 3.49Å; M220-M224 VanDerWaalsContact O-CG 3.28Å; M220-M224 WeakPolarHBondContact O-CG 3.4Å; M220-M224 PolarHBondContact O-N 2.91Å |
| 221 | E | 97.3 | Very high | 97.3 | Very high | 114 Ų | 114 | 105 Ų | 105 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.6 | -52.2 | 173.8 | -71.1 | 162.1 | 174.5 | 0 | 0 | 111 | K217 S218 L223 M224 E225 | K217-E221 WeakPolarHBondContact O-CG 3.37Å; K217-E221 PolarHBondContact O-N 2.93Å; S218-E221 WeakPolarHBondContact CA-OE2 3.4Å; E221-L223 VanDerWaalsContact C-N 3.33Å; E221-L223 PolarHBondContact O-N 3.49Å; E221-M224 WeakPolarHBondContact O-CB 3.45Å; E221-M224 PolarHBondContact O-N 2.91Å; E221-M224 VanDerWaalsContact O-N 3.16Å; E221-E225 PolarHBondContact O-N 3.36Å |
| 222 | A | 97.2 | Very high | 97.2 | Very high | 55 Ų | 55 | 106.7 Ų | 106.7 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S218 E225 E226 | S218-A222 WeakPolarHBondContact O-CB 3.28Å; S218-A222 PolarHBondContact O-N 3.44Å; A222-E225 PolarHBondContact O-N 2.9Å; A222-E226 PolarHBondContact O-N 3.36Å |
| 223 | L | 97.9 | Very high | 97.1 | Very high | 85 Ų | 85 | 108 Ų | 108 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 176 | -175.7 | 66.3 | 0 | 0 | 0 | 111.8 | R219 M220 E221 E226 H227 | R219-L223 WeakPolarHBondContact O-CB 3.38Å; R219-L223 PolarHBondContact O-N 2.86Å; M220-L223 PolarHBondContact O-N 2.92Å; E221-L223 VanDerWaalsContact C-N 3.33Å; E221-L223 PolarHBondContact O-N 3.49Å; L223-E226 PolarHBondContact O-N 3Å; L223-H227 WeakPolarHBondContact O-CB 3.37Å; L223-H227 VanDerWaalsContact O-CG 3.28Å; L223-H227 PolarHBondContact O-N 2.87Å |
| 224 | M | 96.8 | Very high | 97 | Very high | 92 Ų | 92 | 104.5 Ų | 104.5 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 174.7 | -74.6 | -63.8 | -63 | 0 | 0 | 111.8 | M220 E221 H227 H228 | M220-M224 WeakPolarHBondContact O-CB 3.49Å; M220-M224 VanDerWaalsContact O-CG 3.28Å; M220-M224 WeakPolarHBondContact O-CG 3.4Å; M220-M224 PolarHBondContact O-N 2.91Å; E221-M224 WeakPolarHBondContact O-CB 3.45Å; E221-M224 PolarHBondContact O-N 2.91Å; E221-M224 VanDerWaalsContact O-N 3.16Å; M224-H227 PolarHBondContact O-N 3.42Å; M224-H228 WeakPolarHBondContact O-CB 3.39Å; M224-H228 PolarHBondContact O-N 3.16Å; M224-H228 PolarHBondContact O-ND1 3.45Å |
| 225 | E | 97.1 | Very high | 96.9 | Very high | 138 Ų | 138 | 105.4 Ų | 105.4 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -42.1 | 173.3 | -72.7 | -171.6 | 164 | 0 | 0 | 112.4 | E221 A222 H228 R229 | E221-E225 PolarHBondContact O-N 3.36Å; A222-E225 PolarHBondContact O-N 2.9Å; E225-H228 PolarHBondContact O-N 3.12Å; E225-R229 WeakPolarHBondContact O-CB 3.24Å; E225-R229 PolarHBondContact O-N 3.34Å |
| 226 | E | 97.1 | Very high | 96.7 | Very high | 100 Ų | 100 | 103.7 Ų | 103.7 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 175.3 | 179.1 | 158.6 | -133.3 | 0 | 0 | 111.7 | A222 L223 H228 R229 V230 | A222-E226 PolarHBondContact O-N 3.36Å; L223-E226 PolarHBondContact O-N 3Å; E226-H228 PolarHBondContact O-N 3.47Å; E226-R229 WeakPolarHBondContact O-CA 3.38Å; E226-R229 WeakPolarHBondContact O-CB 3.35Å; E226-R229 PolarHBondContact O-N 3.2Å; E226-R229 VanDerWaalsContact O-N 3.07Å; E226-R229 IonicContact OE1-NH2 2.6Å; E226-V230 WeakPolarHBondContact O-CG2 3.43Å; E226-V230 PolarHBondContact O-N 3.18Å |
| 227 | H | 96.8 | Very high | 96.6 | Very high | 95 Ų | 95 | 105.6 Ų | 105.6 | 44% | 0.44 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.7 | -47.8 | 174.3 | -72 | 177.5 | 0 | 0 | 0 | 111.5 | L223 M224 R229 V230 L231 | L223-H227 WeakPolarHBondContact O-CB 3.37Å; L223-H227 VanDerWaalsContact O-CG 3.28Å; L223-H227 PolarHBondContact O-N 2.87Å; M224-H227 PolarHBondContact O-N 3.42Å; H227-R229 VanDerWaalsContact C-N 3.27Å; H227-R229 PolarHBondContact O-N 3.3Å; H227-V230 PolarHBondContact O-N 2.88Å; H227-L231 WeakPolarHBondContact O-CB 3.39Å; H227-L231 WeakPolarHBondContact O-CG 3.44Å; H227-L231 PolarHBondContact O-N 3.04Å |
| 228 | H | 96.7 | Very high | 96.5 | Very high | 94 Ų | 94 | 107.2 Ų | 107.2 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -32.2 | 174.6 | -69 | 166.2 | 0 | 0 | 0 | 112.7 | M224 E225 E226 R232 | M224-H228 WeakPolarHBondContact O-CB 3.39Å; M224-H228 PolarHBondContact O-N 3.16Å; M224-H228 PolarHBondContact O-ND1 3.45Å; E225-H228 PolarHBondContact O-N 3.12Å; E226-H228 PolarHBondContact O-N 3.47Å; H228-R232 WeakPolarHBondContact O-CB 3.46Å; H228-R232 WeakPolarHBondContact O-CG 3.42Å; H228-R232 PolarHBondContact O-N 2.87Å; H228-R232 VanDerWaalsContact O-N 3.12Å; H228-R232 PolarHBondContact O-NE 2.85Å |
| 229 | R | 96.9 | Very high | 96.4 | Very high | 129 Ų | 129 | 107 Ų | 107 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.3 | -40.1 | 174.1 | -169.7 | -177.2 | 72.2 | 158.5 | -2.9 | 111.8 | E225 E226 H227 K233 | E225-R229 WeakPolarHBondContact O-CB 3.24Å; E225-R229 PolarHBondContact O-N 3.34Å; E226-R229 WeakPolarHBondContact O-CA 3.38Å; E226-R229 WeakPolarHBondContact O-CB 3.35Å; E226-R229 PolarHBondContact O-N 3.2Å; E226-R229 VanDerWaalsContact O-N 3.07Å; E226-R229 IonicContact OE1-NH2 2.6Å; H227-R229 VanDerWaalsContact C-N 3.27Å; H227-R229 PolarHBondContact O-N 3.3Å; R229-K233 WeakPolarHBondContact O-CG 3.44Å; R229-K233 PolarHBondContact O-N 3.44Å |
| 230 | V | 96.8 | Very high | 96.3 | Very high | 86 Ų | 86 | 101.8 Ų | 101.8 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.5 | -44 | 176.8 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | E226 H227 K233 G234 | E226-V230 WeakPolarHBondContact O-CG2 3.43Å; E226-V230 PolarHBondContact O-N 3.18Å; H227-V230 PolarHBondContact O-N 2.88Å; V230-K233 PolarHBondContact O-N 2.7Å; V230-G234 PolarHBondContact O-N 2.84Å |
| 231 | L | 96.3 | Very high | 96.2 | Very high | 105 Ų | 105 | 98.9 Ų | 98.9 | 55% | 0.55 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.7 | -50.4 | 176 | -72.2 | 171 | 0 | 0 | 0 | 111.5 | H227 K233 G234 E235 | H227-L231 WeakPolarHBondContact O-CB 3.39Å; H227-L231 WeakPolarHBondContact O-CG 3.44Å; H227-L231 PolarHBondContact O-N 3.04Å; L231-K233 VanDerWaalsContact C-N 3.33Å; L231-K233 PolarHBondContact O-N 3.33Å; L231-G234 CarbonylContact O-C 3.55Å; L231-G234 WeakPolarHBondContact O-CA 3.49Å; L231-G234 PolarHBondContact O-N 3.07Å; L231-E235 WeakPolarHBondContact O-CG 3.35Å; L231-E235 PolarHBondContact O-N 2.84Å |
| 232 | R | 96.5 | Very high | 96 | Very high | 135 Ų | 135 | 99.4 Ų | 99.4 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.2 | -43.2 | 176 | -78.8 | 176.5 | -70.6 | -167.5 | 0.6 | 113 | H228 G234 E235 E236 | H228-R232 WeakPolarHBondContact O-CB 3.46Å; H228-R232 WeakPolarHBondContact O-CG 3.42Å; H228-R232 PolarHBondContact O-N 2.87Å; H228-R232 VanDerWaalsContact O-N 3.12Å; H228-R232 PolarHBondContact O-NE 2.85Å; R232-G234 VanDerWaalsContact C-N 3.3Å; R232-G234 PolarHBondContact O-N 2.89Å; R232-E235 PolarHBondContact O-N 3.09Å; R232-E236 WeakPolarHBondContact O-CB 3.19Å; R232-E236 VanDerWaalsContact O-CG 3.24Å; R232-E236 WeakPolarHBondContact O-CG 3.3Å; R232-E236 PolarHBondContact O-N 3.25Å |
| 233 | K | 95.9 | Very high | 95.9 | Very high | 119 Ų | 119 | 102.7 Ų | 102.7 | 52% | 0.517 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -36.7 | 174.2 | -74.2 | 179.7 | 176.3 | -169 | 0 | 112.8 | R229 V230 L231 Y237 | R229-K233 WeakPolarHBondContact O-CG 3.44Å; R229-K233 PolarHBondContact O-N 3.44Å; V230-K233 PolarHBondContact O-N 2.7Å; L231-K233 VanDerWaalsContact C-N 3.33Å; L231-K233 PolarHBondContact O-N 3.33Å; K233-Y237 VanDerWaalsContact O-CB 3.3Å; K233-Y237 WeakPolarHBondContact O-CB 3.38Å; K233-Y237 PolarHBondContact O-N 3.01Å |
| 234 | G | 94.8 | Very high | 95.8 | Very high | 25 Ų | 25 | 102 Ų | 102 | 26% | 0.258 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.6 | -47.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V230 L231 R232 E236 Y237 F238 | V230-G234 PolarHBondContact O-N 2.84Å; L231-G234 CarbonylContact O-C 3.55Å; L231-G234 WeakPolarHBondContact O-CA 3.49Å; L231-G234 PolarHBondContact O-N 3.07Å; R232-G234 VanDerWaalsContact C-N 3.3Å; R232-G234 PolarHBondContact O-N 2.89Å; G234-E236 PolarHBondContact O-N 2.86Å; G234-Y237 PolarHBondContact O-N 3.5Å; G234-F238 WeakPolarHBondContact O-CD2 3.37Å; G234-F238 PolarHBondContact O-N 3.01Å |
| 235 | E | 94.8 | Very high | 95.6 | Very high | 119 Ų | 119 | 102.7 Ų | 102.7 | 56% | 0.556 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60 | -44.3 | 176 | -68.1 | 169 | 161.5 | 0 | 0 | 111.8 | L231 R232 F238 S239 | L231-E235 WeakPolarHBondContact O-CG 3.35Å; L231-E235 PolarHBondContact O-N 2.84Å; R232-E235 PolarHBondContact O-N 3.09Å; E235-F238 PolarHBondContact O-N 3.49Å; E235-S239 WeakPolarHBondContact O-CB 3.27Å; E235-S239 PolarHBondContact O-N 3.39Å; E235-S239 PolarHBondContact O-OG 3.28Å |
| 236 | E | 95.2 | Very high | 95.5 | Very high | 122 Ų | 122 | 100.5 Ų | 100.5 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.8 | -44.9 | 174.3 | -75.2 | 165.4 | -171.3 | 0 | 0 | 111.6 | R232 G234 S239 Q240 | R232-E236 WeakPolarHBondContact O-CB 3.19Å; R232-E236 VanDerWaalsContact O-CG 3.24Å; R232-E236 WeakPolarHBondContact O-CG 3.3Å; R232-E236 PolarHBondContact O-N 3.25Å; G234-E236 PolarHBondContact O-N 2.86Å; E236-S239 PolarHBondContact O-N 2.97Å; E236-Q240 WeakPolarHBondContact O-CB 3.48Å; E236-Q240 PolarHBondContact O-N 3.33Å |
| 237 | Y | 95.4 | Very high | 95.3 | Very high | 150 Ų | 150 | 100.2 Ų | 100.2 | 59% | 0.588 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.7 | -48.1 | 177.3 | 175.7 | -101.7 | 0 | 0 | 0 | 112.4 | K233 G234 S239 Q240 I241 | K233-Y237 VanDerWaalsContact O-CB 3.3Å; K233-Y237 WeakPolarHBondContact O-CB 3.38Å; K233-Y237 PolarHBondContact O-N 3.01Å; G234-Y237 PolarHBondContact O-N 3.5Å; Y237-S239 VanDerWaalsContact C-N 3.33Å; Y237-S239 PolarHBondContact O-N 2.88Å; Y237-Q240 WeakPolarHBondContact O-CB 3.37Å; Y237-Q240 PolarHBondContact O-N 3.5Å; Y237-Q240 VanDerWaalsContact O-N 3.14Å; Y237-I241 HydrophobicContact CD1-CD1 4.01Å; Y237-I241 HydrophobicContact CE1-CD1 3.41Å; Y237-I241 VanDerWaalsContact CE1-CD1 3.41Å; Y237-I241 HydrophobicContact CE1-CG1 4.45Å; Y237-I241 HydrophobicContact CE2-CD1 4.28Å; Y237-I241 PolarHBondContact O-N 3.35Å |
| 238 | F | 94.9 | Very high | 95.2 | Very high | 132 Ų | 132 | 100.7 Ų | 100.7 | 58% | 0.579 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.8 | -41.1 | 174.8 | -75.7 | -61.8 | 0 | 0 | 0 | 111.7 | G234 E235 Q240 I241 Q242 | G234-F238 WeakPolarHBondContact O-CD2 3.37Å; G234-F238 PolarHBondContact O-N 3.01Å; E235-F238 PolarHBondContact O-N 3.49Å; F238-Q240 VanDerWaalsContact C-N 3.27Å; F238-Q240 PolarHBondContact O-N 2.89Å; F238-I241 PolarHBondContact O-N 3.24Å; F238-Q242 WeakPolarHBondContact O-CG 3.49Å; F238-Q242 PolarHBondContact O-N 2.98Å |
| 239 | S | 95.6 | Very high | 95 | Very high | 50 Ų | 50 | 100.6 Ų | 100.6 | 35% | 0.35 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.3 | -34.3 | 173.9 | -60.4 | 0 | 0 | 0 | 0 | 112 | E235 E236 Y237 R243 | E235-S239 WeakPolarHBondContact O-CB 3.27Å; E235-S239 PolarHBondContact O-N 3.39Å; E235-S239 PolarHBondContact O-OG 3.28Å; E236-S239 PolarHBondContact O-N 2.97Å; Y237-S239 VanDerWaalsContact C-N 3.33Å; Y237-S239 PolarHBondContact O-N 2.88Å; S239-R243 WeakPolarHBondContact O-CB 3.37Å; S239-R243 VanDerWaalsContact O-CG 3.27Å; S239-R243 WeakPolarHBondContact O-CG 3.12Å; S239-R243 PolarHBondContact O-N 2.88Å; S239-R243 PolarHBondContact O-NE 2.87Å; S239-R243 VanDerWaalsContact O-NE 3.09Å |
| 240 | Q | 96.1 | Very high | 94.8 | Very high | 79 Ų | 79 | 98.1 Ų | 98.1 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.7 | -43.8 | 174.1 | -172.4 | 66.2 | 52.8 | 0 | 0 | 111.5 | E236 Y237 F238 R243 N244 | E236-Q240 WeakPolarHBondContact O-CB 3.48Å; E236-Q240 PolarHBondContact O-N 3.33Å; Y237-Q240 WeakPolarHBondContact O-CB 3.37Å; Y237-Q240 PolarHBondContact O-N 3.5Å; Y237-Q240 VanDerWaalsContact O-N 3.14Å; F238-Q240 VanDerWaalsContact C-N 3.27Å; F238-Q240 PolarHBondContact O-N 2.89Å; Q240-R243 VanDerWaalsContact CA-NH2 3.34Å; Q240-R243 VanDerWaalsContact CD-NH1 3.27Å; Q240-R243 PolarHBondContact O-N 3.14Å; Q240-R243 VanDerWaalsContact OE1-CZ 3.3Å; Q240-N244 PolarHBondContact NE2-OD1 2.82Å; Q240-N244 WeakPolarHBondContact O-CB 3.45Å; Q240-N244 PolarHBondContact O-N 3.25Å; Q240-N244 PolarHBondContact O-OD1 3.42Å; Q240-N244 VanDerWaalsContact O-OD1 3.14Å |
| 241 | I | 94.1 | Very high | 94.7 | Very high | 53 Ų | 53 | 101.5 Ų | 101.5 | 27% | 0.272 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.9 | -48 | 174.3 | -70.3 | 174 | 0 | 0 | 0 | 110.5 | Y237 F238 R243 N244 Q245 | Y237-I241 HydrophobicContact CD1-CD1 4.01Å; Y237-I241 HydrophobicContact CE1-CD1 3.41Å; Y237-I241 VanDerWaalsContact CE1-CD1 3.41Å; Y237-I241 HydrophobicContact CE1-CG1 4.45Å; Y237-I241 HydrophobicContact CE2-CD1 4.28Å; Y237-I241 PolarHBondContact O-N 3.35Å; F238-I241 PolarHBondContact O-N 3.24Å; I241-R243 VanDerWaalsContact C-N 3.34Å; I241-R243 PolarHBondContact O-N 3.38Å; I241-N244 PolarHBondContact O-N 2.85Å; I241-Q245 HydrophobicContact CG2-CG 4.22Å; I241-Q245 WeakPolarHBondContact O-CB 3.43Å; I241-Q245 VanDerWaalsContact O-CG 3.31Å; I241-Q245 WeakPolarHBondContact O-CG 3.5Å; I241-Q245 PolarHBondContact O-N 2.95Å |
| 242 | Q | 93.8 | Very high | 94.6 | Very high | 125 Ų | 125 | 104.4 Ų | 104.4 | 58% | 0.584 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.3 | -42.2 | 178.3 | -73.3 | 176.1 | -9 | 0 | 0 | 111.9 | F238 Q245 Q246 | F238-Q242 WeakPolarHBondContact O-CG 3.49Å; F238-Q242 PolarHBondContact O-N 2.98Å; Q242-Q245 PolarHBondContact O-N 2.92Å; Q242-Q246 VanDerWaalsContact O-CB 3.3Å; Q242-Q246 WeakPolarHBondContact O-CB 3.3Å; Q242-Q246 PolarHBondContact O-N 3.29Å |
| 243 | R | 95.1 | Very high | 94.4 | Very high | 124 Ų | 124 | 102.6 Ų | 102.6 | 47% | 0.468 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 174.5 | -77 | 178.3 | -74.1 | 110.5 | -3.1 | 112 | S239 Q240 I241 Q245 Q246 E247 | S239-R243 WeakPolarHBondContact O-CB 3.37Å; S239-R243 VanDerWaalsContact O-CG 3.27Å; S239-R243 WeakPolarHBondContact O-CG 3.12Å; S239-R243 PolarHBondContact O-N 2.88Å; S239-R243 PolarHBondContact O-NE 2.87Å; S239-R243 VanDerWaalsContact O-NE 3.09Å; Q240-R243 VanDerWaalsContact CA-NH2 3.34Å; Q240-R243 VanDerWaalsContact CD-NH1 3.27Å; Q240-R243 PolarHBondContact O-N 3.14Å; Q240-R243 VanDerWaalsContact OE1-CZ 3.3Å; I241-R243 VanDerWaalsContact C-N 3.34Å; I241-R243 PolarHBondContact O-N 3.38Å; R243-Q245 PolarHBondContact O-N 3.14Å; R243-Q246 PolarHBondContact O-N 3.23Å; R243-E247 WeakPolarHBondContact O-CG 3.45Å; R243-E247 PolarHBondContact O-N 3.47Å |
| 244 | N | 95 | Very high | 94.2 | Very high | 71 Ų | 71 | 98.2 Ų | 98.2 | 38% | 0.38 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 176.3 | -67.5 | 3.5 | 0 | 0 | 0 | 111.7 | Q240 I241 Q246 E247 E248 | Q240-N244 PolarHBondContact NE2-OD1 2.82Å; Q240-N244 WeakPolarHBondContact O-CB 3.45Å; Q240-N244 PolarHBondContact O-N 3.25Å; Q240-N244 PolarHBondContact O-OD1 3.42Å; Q240-N244 VanDerWaalsContact O-OD1 3.14Å; I241-N244 PolarHBondContact O-N 2.85Å; N244-Q246 VanDerWaalsContact C-N 3.34Å; N244-Q246 PolarHBondContact O-N 2.7Å; N244-E247 WeakPolarHBondContact O-CB 3.22Å; N244-E247 PolarHBondContact O-N 3.33Å; N244-E248 WeakPolarHBondContact O-CG 3.42Å; N244-E248 PolarHBondContact O-N 3.5Å |
| 245 | Q | 93.4 | Very high | 94.1 | Very high | 106 Ų | 106 | 101.5 Ų | 101.5 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 176.8 | -74.1 | 174.7 | -15.5 | 0 | 0 | 111.9 | I241 Q242 R243 E248 L249 | I241-Q245 HydrophobicContact CG2-CG 4.22Å; I241-Q245 WeakPolarHBondContact O-CB 3.43Å; I241-Q245 VanDerWaalsContact O-CG 3.31Å; I241-Q245 WeakPolarHBondContact O-CG 3.5Å; I241-Q245 PolarHBondContact O-N 2.95Å; Q242-Q245 PolarHBondContact O-N 2.92Å; R243-Q245 PolarHBondContact O-N 3.14Å; Q245-E248 PolarHBondContact O-N 3.2Å; Q245-L249 WeakPolarHBondContact O-CB 3.49Å; Q245-L249 VanDerWaalsContact O-CG 3.29Å; Q245-L249 WeakPolarHBondContact O-CG 3.5Å; Q245-L249 PolarHBondContact O-N 2.78Å |
| 246 | Q | 93.9 | Very high | 94 | Very high | 91 Ų | 91 | 100.5 Ų | 100.5 | 43% | 0.425 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 175.4 | -177.9 | 60.5 | 39.6 | 0 | 0 | 111.6 | Q242 R243 N244 E248 L249 D250 | Q242-Q246 VanDerWaalsContact O-CB 3.3Å; Q242-Q246 WeakPolarHBondContact O-CB 3.3Å; Q242-Q246 PolarHBondContact O-N 3.29Å; R243-Q246 PolarHBondContact O-N 3.23Å; N244-Q246 VanDerWaalsContact C-N 3.34Å; N244-Q246 PolarHBondContact O-N 2.7Å; Q246-E248 PolarHBondContact O-N 2.9Å; Q246-L249 PolarHBondContact O-N 3.33Å; Q246-D250 VanDerWaalsContact NE2-CG 3.3Å; Q246-D250 PolarHBondContact NE2-OD1 2.9Å; Q246-D250 PolarHBondContact NE2-OD2 3.47Å; Q246-D250 WeakPolarHBondContact O-CB 3.41Å; Q246-D250 PolarHBondContact O-N 3.43Å |
| 247 | E | 94.3 | Very high | 93.9 | Very high | 94 Ų | 94 | 101.2 Ų | 101.2 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 172.9 | -77.4 | -175.5 | -146.8 | 0 | 0 | 112 | R243 N244 D250 R251 | R243-E247 WeakPolarHBondContact O-CG 3.45Å; R243-E247 PolarHBondContact O-N 3.47Å; N244-E247 WeakPolarHBondContact O-CB 3.22Å; N244-E247 PolarHBondContact O-N 3.33Å; E247-D250 PolarHBondContact O-N 2.91Å; E247-R251 WeakPolarHBondContact O-CB 3.31Å; E247-R251 WeakPolarHBondContact O-CG 3.49Å; E247-R251 PolarHBondContact O-N 2.84Å; E247-R251 IonicContact OE2-CZ 2.62Å; E247-R251 IonicContact OE2-NH2 3.19Å; E247-R251 PolarHBondContact OE2-NH2 3.32Å |
| 248 | E | 93.8 | Very high | 93.7 | Very high | 106 Ų | 106 | 100.6 Ų | 100.6 | 50% | 0.495 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61 | -48 | 174.8 | -75.4 | -180 | 179.3 | 0 | 0 | 111.4 | N244 Q245 Q246 D250 R251 W252 | N244-E248 WeakPolarHBondContact O-CG 3.42Å; N244-E248 PolarHBondContact O-N 3.5Å; Q245-E248 PolarHBondContact O-N 3.2Å; Q246-E248 PolarHBondContact O-N 2.9Å; E248-D250 VanDerWaalsContact C-N 3.28Å; E248-D250 PolarHBondContact O-N 3.29Å; E248-R251 WeakPolarHBondContact O-CB 3.35Å; E248-R251 PolarHBondContact O-N 3.12Å; E248-W252 PolarHBondContact O-N 2.98Å |
| 249 | L | 93.4 | Very high | 93.5 | Very high | 91 Ų | 91 | 99.2 Ų | 99.2 | 48% | 0.476 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.2 | -40.4 | 175.7 | -76.5 | 170.4 | 0 | 0 | 0 | 112.1 | Q245 Q246 W252 K253 | Q245-L249 WeakPolarHBondContact O-CB 3.49Å; Q245-L249 VanDerWaalsContact O-CG 3.29Å; Q245-L249 WeakPolarHBondContact O-CG 3.5Å; Q245-L249 PolarHBondContact O-N 2.78Å; Q246-L249 PolarHBondContact O-N 3.33Å; L249-W252 PolarHBondContact O-N 2.86Å; L249-K253 WeakPolarHBondContact O-CB 3.37Å; L249-K253 WeakPolarHBondContact O-CG 3.37Å; L249-K253 PolarHBondContact O-N 3.44Å |
| 250 | D | 92.7 | Very high | 93.3 | Very high | 78 Ų | 78 | 102 Ų | 102 | 42% | 0.417 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -75.8 | -31.2 | 179 | -69.9 | -27.9 | 0 | 0 | 0 | 112.7 | Q246 E247 E248 K253 G254 | Q246-D250 VanDerWaalsContact NE2-CG 3.3Å; Q246-D250 PolarHBondContact NE2-OD1 2.9Å; Q246-D250 PolarHBondContact NE2-OD2 3.47Å; Q246-D250 WeakPolarHBondContact O-CB 3.41Å; Q246-D250 PolarHBondContact O-N 3.43Å; E247-D250 PolarHBondContact O-N 2.91Å; E248-D250 VanDerWaalsContact C-N 3.28Å; E248-D250 PolarHBondContact O-N 3.29Å; D250-K253 WeakPolarHBondContact OD1-CD 3.46Å; D250-K253 IonicContact OD1-NZ 3.74Å; D250-K253 PolarHBondContact OD1-NZ 2.9Å; D250-G254 PolarHBondContact O-N 3.46Å |
| 251 | R | 94.7 | Very high | 93.1 | Very high | 156 Ų | 156 | 102.9 Ų | 102.9 | 59% | 0.589 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61 | -51.5 | 166.1 | -70.1 | 168.4 | -159.9 | -171.1 | 9.1 | 110.6 | E247 E248 K253 G254 E255 | E247-R251 WeakPolarHBondContact O-CB 3.31Å; E247-R251 WeakPolarHBondContact O-CG 3.49Å; E247-R251 PolarHBondContact O-N 2.84Å; E247-R251 IonicContact OE2-CZ 2.62Å; E247-R251 IonicContact OE2-NH2 3.19Å; E247-R251 PolarHBondContact OE2-NH2 3.32Å; E248-R251 WeakPolarHBondContact O-CB 3.35Å; E248-R251 PolarHBondContact O-N 3.12Å; R251-K253 PolarHBondContact O-N 3.45Å; R251-G254 CarbonylContact O-C 3.59Å; R251-G254 WeakPolarHBondContact O-CA 3.45Å; R251-G254 PolarHBondContact O-N 2.98Å; R251-E255 PolarHBondContact O-N 3.31Å |
| 252 | W | 92.4 | Very high | 93 | Very high | 167 Ų | 167 | 105.1 Ų | 105.1 | 63% | 0.633 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.4 | -42.2 | 177.8 | -72.2 | 121.1 | 0 | 0 | 0 | 112.6 | E248 L249 G254 E255 L256 | E248-W252 PolarHBondContact O-N 2.98Å; L249-W252 PolarHBondContact O-N 2.86Å; W252-G254 VanDerWaalsContact C-N 3.31Å; W252-G254 PolarHBondContact O-N 3.44Å; W252-E255 PolarHBondContact O-N 2.86Å; W252-L256 WeakPolarHBondContact O-CB 3.43Å; W252-L256 PolarHBondContact O-N 2.84Å |
| 253 | K | 92.6 | Very high | 92.8 | Very high | 96 Ų | 96 | 105.1 Ų | 105.1 | 42% | 0.417 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 171.5 | -72.2 | 168.1 | -154.8 | 159.1 | 0 | 111.7 | L249 D250 R251 K257 | L249-K253 WeakPolarHBondContact O-CB 3.37Å; L249-K253 WeakPolarHBondContact O-CG 3.37Å; L249-K253 PolarHBondContact O-N 3.44Å; D250-K253 WeakPolarHBondContact OD1-CD 3.46Å; D250-K253 IonicContact OD1-NZ 3.74Å; D250-K253 PolarHBondContact OD1-NZ 2.9Å; R251-K253 PolarHBondContact O-N 3.45Å; K253-K257 WeakPolarHBondContact O-CB 3.4Å; K253-K257 WeakPolarHBondContact O-CG 3.26Å; K253-K257 PolarHBondContact O-N 3.02Å |
| 254 | G | 92.4 | Very high | 92.6 | Very high | 28 Ų | 28 | 103.3 Ų | 103.3 | 29% | 0.289 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D250 R251 W252 K257 K258 | D250-G254 PolarHBondContact O-N 3.46Å; R251-G254 CarbonylContact O-C 3.59Å; R251-G254 WeakPolarHBondContact O-CA 3.45Å; R251-G254 PolarHBondContact O-N 2.98Å; W252-G254 VanDerWaalsContact C-N 3.31Å; W252-G254 PolarHBondContact O-N 3.44Å; G254-K257 PolarHBondContact O-N 2.89Å; G254-K258 WeakPolarHBondContact O-CG 3.21Å; G254-K258 PolarHBondContact O-N 3.49Å |
| 255 | E | 91.9 | Very high | 92.3 | Very high | 93 Ų | 93 | 108.6 Ų | 108.6 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 174.7 | -69.3 | -171.6 | 172 | 0 | 0 | 112.6 | R251 W252 K257 K258 L259 | R251-E255 PolarHBondContact O-N 3.31Å; W252-E255 PolarHBondContact O-N 2.86Å; E255-K257 VanDerWaalsContact C-N 3.31Å; E255-K257 PolarHBondContact O-N 3.46Å; E255-K258 CarbonylContact O-C 3.55Å; E255-K258 WeakPolarHBondContact O-CA 3.36Å; E255-K258 WeakPolarHBondContact O-CB 3.37Å; E255-K258 PolarHBondContact O-N 3.24Å; E255-L259 WeakPolarHBondContact O-CG 3.39Å; E255-L259 PolarHBondContact O-N 3.05Å |
| 256 | L | 92.3 | Very high | 92 | Very high | 99 Ų | 99 | 110.4 Ų | 110.4 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.6 | -43.9 | 173.7 | -176.3 | 64.2 | 0 | 0 | 0 | 111.3 | W252 L259 Q260 | W252-L256 WeakPolarHBondContact O-CB 3.43Å; W252-L256 PolarHBondContact O-N 2.84Å; L256-L259 PolarHBondContact O-N 2.89Å; L256-Q260 WeakPolarHBondContact O-CB 3.29Å; L256-Q260 VanDerWaalsContact O-CG 3.29Å; L256-Q260 WeakPolarHBondContact O-CG 3.29Å; L256-Q260 PolarHBondContact O-N 3.32Å |
| 257 | K | 93.1 | Very high | 91.8 | Very high | 137 Ų | 137 | 110.1 Ų | 110.1 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.6 | -40.3 | 172.9 | -75.5 | 175.6 | 179.8 | 179.5 | 0 | 112.4 | K253 G254 E255 N261 | K253-K257 WeakPolarHBondContact O-CB 3.4Å; K253-K257 WeakPolarHBondContact O-CG 3.26Å; K253-K257 PolarHBondContact O-N 3.02Å; G254-K257 PolarHBondContact O-N 2.89Å; E255-K257 VanDerWaalsContact C-N 3.31Å; E255-K257 PolarHBondContact O-N 3.46Å; K257-N261 WeakPolarHBondContact O-CB 3.36Å; K257-N261 VanDerWaalsContact O-CG 3.29Å; K257-N261 PolarHBondContact O-N 2.98Å; K257-N261 PolarHBondContact O-ND2 3.38Å; K257-N261 VanDerWaalsContact O-ND2 3.12Å |
| 258 | K | 91.8 | Very high | 91.5 | Very high | 136 Ų | 136 | 112.4 Ų | 112.4 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.7 | -47 | 174.3 | -72.1 | 170.1 | -175 | 172.1 | 0 | 111.1 | G254 E255 N261 Q262 | G254-K258 WeakPolarHBondContact O-CG 3.21Å; G254-K258 PolarHBondContact O-N 3.49Å; E255-K258 CarbonylContact O-C 3.55Å; E255-K258 WeakPolarHBondContact O-CA 3.36Å; E255-K258 WeakPolarHBondContact O-CB 3.37Å; E255-K258 PolarHBondContact O-N 3.24Å; K258-N261 PolarHBondContact O-N 2.84Å; K258-Q262 WeakPolarHBondContact O-CG 3.48Å; K258-Q262 PolarHBondContact O-N 3.35Å |
| 259 | L | 90.6 | Very high | 91.3 | Very high | 104 Ų | 104 | 113.1 Ų | 113.1 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 178.8 | -71.3 | 172.3 | 0 | 0 | 0 | 112.2 | E255 L256 Q262 K263 | E255-L259 WeakPolarHBondContact O-CG 3.39Å; E255-L259 PolarHBondContact O-N 3.05Å; L256-L259 PolarHBondContact O-N 2.89Å; L259-Q262 PolarHBondContact O-N 2.82Å; L259-K263 WeakPolarHBondContact O-CB 3.45Å; L259-K263 PolarHBondContact O-N 2.86Å |
| 260 | Q | 91.2 | Very high | 91 | Very high | 109 Ų | 109 | 113.3 Ų | 113.3 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 172.4 | -76.5 | 175.7 | -12.8 | 0 | 0 | 111.7 | L256 Q262 K263 L264 | L256-Q260 WeakPolarHBondContact O-CB 3.29Å; L256-Q260 VanDerWaalsContact O-CG 3.29Å; L256-Q260 WeakPolarHBondContact O-CG 3.29Å; L256-Q260 PolarHBondContact O-N 3.32Å; Q260-Q262 VanDerWaalsContact C-N 3.34Å; Q260-Q262 PolarHBondContact O-N 2.84Å; Q260-K263 PolarHBondContact O-N 3.07Å; Q260-L264 WeakPolarHBondContact O-CB 3.34Å; Q260-L264 PolarHBondContact O-N 3.12Å |
| 261 | N | 92.6 | Very high | 90.7 | Very high | 96 Ų | 96 | 112.1 Ų | 112.1 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -36 | 175.3 | -77.2 | -35.3 | 0 | 0 | 0 | 112.5 | K257 K258 R265 | K257-N261 WeakPolarHBondContact O-CB 3.36Å; K257-N261 VanDerWaalsContact O-CG 3.29Å; K257-N261 PolarHBondContact O-N 2.98Å; K257-N261 PolarHBondContact O-ND2 3.38Å; K257-N261 VanDerWaalsContact O-ND2 3.12Å; K258-N261 PolarHBondContact O-N 2.84Å; N261-R265 VanDerWaalsContact O-CG 3.26Å; N261-R265 WeakPolarHBondContact O-CG 3.41Å; N261-R265 PolarHBondContact O-N 3.05Å |
| 262 | Q | 91.3 | Very high | 90.3 | Very high | 100 Ų | 100 | 107.1 Ų | 107.1 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -45.4 | 172.4 | -73.8 | 177.7 | 4.1 | 0 | 0 | 111.6 | K258 L259 Q260 L264 R265 W266 | K258-Q262 WeakPolarHBondContact O-CG 3.48Å; K258-Q262 PolarHBondContact O-N 3.35Å; L259-Q262 PolarHBondContact O-N 2.82Å; Q260-Q262 VanDerWaalsContact C-N 3.34Å; Q260-Q262 PolarHBondContact O-N 2.84Å; Q262-L264 VanDerWaalsContact C-N 3.34Å; Q262-L264 PolarHBondContact O-N 3.03Å; Q262-R265 WeakPolarHBondContact O-CB 3.46Å; Q262-R265 PolarHBondContact O-N 3.43Å; Q262-R265 VanDerWaalsContact O-N 3.12Å; Q262-W266 PolarHBondContact O-N 3.3Å |
| 263 | K | 90 | Very high | 89.8 | Confident | 126 Ų | 126 | 101.7 Ų | 101.7 | 55% | 0.548 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54.9 | -49.1 | 174 | -177.3 | 178 | -176 | -84.7 | 0 | 110.7 | L259 Q260 R265 W266 E267 | L259-K263 WeakPolarHBondContact O-CB 3.45Å; L259-K263 PolarHBondContact O-N 2.86Å; Q260-K263 PolarHBondContact O-N 3.07Å; K263-R265 VanDerWaalsContact C-N 3.32Å; K263-R265 PolarHBondContact O-N 2.89Å; K263-W266 CarbonylContact O-C 3.54Å; K263-W266 PolarHBondContact O-N 2.79Å; K263-W266 VanDerWaalsContact O-N 3.07Å; K263-E267 WeakPolarHBondContact CE-OE1 3.24Å; K263-E267 HydrophobicContact CG-CG 4.43Å; K263-E267 IonicContact NZ-OE1 3.58Å; K263-E267 PolarHBondContact NZ-OE1 3.45Å; K263-E267 WeakPolarHBondContact O-CG 3.37Å; K263-E267 PolarHBondContact O-N 3.03Å |
| 264 | L | 91.7 | Very high | 89.5 | Confident | 86 Ų | 86 | 102.7 Ų | 102.7 | 45% | 0.45 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -37.7 | 176.7 | -172 | 70.6 | 0 | 0 | 0 | 112.7 | Q260 Q262 K268 | Q260-L264 WeakPolarHBondContact O-CB 3.34Å; Q260-L264 PolarHBondContact O-N 3.12Å; Q262-L264 VanDerWaalsContact C-N 3.34Å; Q262-L264 PolarHBondContact O-N 3.03Å; L264-K268 WeakPolarHBondContact O-CG 3.44Å; L264-K268 PolarHBondContact O-N 3.36Å |
| 265 | R | 88.8 | Confident | 89.2 | Confident | 181 Ų | 181 | 106.4 Ų | 106.4 | 68% | 0.683 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.8 | -40 | 172.9 | -74.2 | 170.7 | -179.6 | -160.2 | 0.3 | 111.8 | N261 Q262 K263 K269 | N261-R265 VanDerWaalsContact O-CG 3.26Å; N261-R265 WeakPolarHBondContact O-CG 3.41Å; N261-R265 PolarHBondContact O-N 3.05Å; Q262-R265 WeakPolarHBondContact O-CB 3.46Å; Q262-R265 PolarHBondContact O-N 3.43Å; Q262-R265 VanDerWaalsContact O-N 3.12Å; K263-R265 VanDerWaalsContact C-N 3.32Å; K263-R265 PolarHBondContact O-N 2.89Å; R265-K269 WeakPolarHBondContact O-CG 3.28Å; R265-K269 PolarHBondContact O-N 2.78Å |
| 266 | W | 87.2 | Confident | 88.8 | Confident | 144 Ų | 144 | 107.8 Ų | 107.8 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70 | -40.8 | 176.1 | -71.1 | 122.3 | 0 | 0 | 0 | 112.2 | Q262 K263 K268 K269 I270 | Q262-W266 PolarHBondContact O-N 3.3Å; K263-W266 CarbonylContact O-C 3.54Å; K263-W266 PolarHBondContact O-N 2.79Å; K263-W266 VanDerWaalsContact O-N 3.07Å; W266-K268 VanDerWaalsContact C-N 3.33Å; W266-K268 PolarHBondContact O-N 3.48Å; W266-K269 HydrophobicContact CD2-CD 4.43Å; W266-K269 HydrophobicContact CE3-CB 4.42Å; W266-K269 HydrophobicContact CE3-CD 3.52Å; W266-K269 HydrophobicContact CH2-CD 4.46Å; W266-K269 HydrophobicContact CZ3-CD 3.54Å; W266-K269 CarbonylContact O-C 3.6Å; W266-K269 PolarHBondContact O-N 2.82Å; W266-K269 VanDerWaalsContact O-N 3.15Å; W266-I270 WeakPolarHBondContact O-CB 3.42Å; W266-I270 VanDerWaalsContact O-CG1 3.26Å; W266-I270 WeakPolarHBondContact O-CG1 3.42Å; W266-I270 PolarHBondContact O-N 3.4Å |
| 267 | E | 89 | Confident | 88.3 | Confident | 85 Ų | 85 | 107 Ų | 107 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 172.4 | -73.7 | 168.3 | 165.1 | 0 | 0 | 111.4 | K263 I270 S271 | K263-E267 WeakPolarHBondContact CE-OE1 3.24Å; K263-E267 HydrophobicContact CG-CG 4.43Å; K263-E267 IonicContact NZ-OE1 3.58Å; K263-E267 PolarHBondContact NZ-OE1 3.45Å; K263-E267 WeakPolarHBondContact O-CG 3.37Å; K263-E267 PolarHBondContact O-N 3.03Å; E267-I270 PolarHBondContact O-N 2.93Å; E267-S271 VanDerWaalsContact O-CB 3.24Å; E267-S271 WeakPolarHBondContact O-CB 3.26Å; E267-S271 PolarHBondContact O-N 2.62Å |
| 268 | K | 88.4 | Confident | 87.8 | Confident | 143 Ų | 143 | 106.5 Ų | 106.5 | 62% | 0.622 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -43.5 | 172.8 | -74.6 | 179.4 | -179.8 | -171.5 | 0 | 112.6 | L264 W266 S271 A272 | L264-K268 WeakPolarHBondContact O-CG 3.44Å; L264-K268 PolarHBondContact O-N 3.36Å; W266-K268 VanDerWaalsContact C-N 3.33Å; W266-K268 PolarHBondContact O-N 3.48Å; K268-S271 PolarHBondContact O-N 2.77Å; K268-A272 WeakPolarHBondContact O-CB 3.41Å; K268-A272 PolarHBondContact O-N 3.15Å |
| 269 | K | 89.1 | Confident | 87.6 | Confident | 121 Ų | 121 | 108.5 Ų | 108.5 | 53% | 0.526 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 175.6 | -76.2 | 177.1 | 174.3 | -172.4 | 0 | 112.3 | R265 W266 A272 A273 | R265-K269 WeakPolarHBondContact O-CG 3.28Å; R265-K269 PolarHBondContact O-N 2.78Å; W266-K269 HydrophobicContact CD2-CD 4.43Å; W266-K269 HydrophobicContact CE3-CB 4.42Å; W266-K269 HydrophobicContact CE3-CD 3.52Å; W266-K269 HydrophobicContact CH2-CD 4.46Å; W266-K269 HydrophobicContact CZ3-CD 3.54Å; W266-K269 CarbonylContact O-C 3.6Å; W266-K269 PolarHBondContact O-N 2.82Å; W266-K269 VanDerWaalsContact O-N 3.15Å; K269-A272 PolarHBondContact O-N 2.86Å; K269-A273 VanDerWaalsContact O-CB 3.28Å; K269-A273 WeakPolarHBondContact O-CB 3.35Å; K269-A273 PolarHBondContact O-N 3.44Å |
| 270 | I | 87.5 | Confident | 87.2 | Confident | 94 Ų | 94 | 108.6 Ų | 108.6 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 177.5 | -70 | 165.4 | 0 | 0 | 0 | 109.9 | W266 E267 A273 Q274 | W266-I270 WeakPolarHBondContact O-CB 3.42Å; W266-I270 VanDerWaalsContact O-CG1 3.26Å; W266-I270 WeakPolarHBondContact O-CG1 3.42Å; W266-I270 PolarHBondContact O-N 3.4Å; E267-I270 PolarHBondContact O-N 2.93Å; I270-A273 CarbonylContact O-C 3.6Å; I270-A273 PolarHBondContact O-N 2.91Å; I270-Q274 HydrophobicContact CG2-CG 4.3Å; I270-Q274 WeakPolarHBondContact O-CB 3.41Å; I270-Q274 VanDerWaalsContact O-CG 3.24Å; I270-Q274 WeakPolarHBondContact O-CG 3.24Å; I270-Q274 PolarHBondContact O-N 2.93Å |
| 271 | S | 87 | Confident | 86.8 | Confident | 53 Ų | 53 | 109.3 Ų | 109.3 | 37% | 0.371 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 176.3 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | E267 K268 Q274 Q275 | E267-S271 VanDerWaalsContact O-CB 3.24Å; E267-S271 WeakPolarHBondContact O-CB 3.26Å; E267-S271 PolarHBondContact O-N 2.62Å; K268-S271 PolarHBondContact O-N 2.77Å; S271-Q274 PolarHBondContact O-N 2.87Å; S271-Q275 WeakPolarHBondContact O-CG 3.32Å; S271-Q275 PolarHBondContact O-N 3.29Å |
| 272 | A | 85.9 | Confident | 86.2 | Confident | 52 Ų | 52 | 108.1 Ų | 108.1 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K268 K269 Q274 Q275 E276 | K268-A272 WeakPolarHBondContact O-CB 3.41Å; K268-A272 PolarHBondContact O-N 3.15Å; K269-A272 PolarHBondContact O-N 2.86Å; A272-Q274 VanDerWaalsContact C-N 3.31Å; A272-Q274 PolarHBondContact O-N 3.33Å; A272-Q275 PolarHBondContact O-N 2.82Å; A272-E276 WeakPolarHBondContact O-CB 3.37Å; A272-E276 PolarHBondContact O-N 2.95Å |
| 273 | A | 81.9 | Confident | 85.6 | Confident | 53 Ų | 53 | 106.6 Ų | 106.6 | 44% | 0.438 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.5 | -32.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K269 I270 N277 | K269-A273 VanDerWaalsContact O-CB 3.28Å; K269-A273 WeakPolarHBondContact O-CB 3.35Å; K269-A273 PolarHBondContact O-N 3.44Å; I270-A273 CarbonylContact O-C 3.6Å; I270-A273 PolarHBondContact O-N 2.91Å; A273-N277 WeakPolarHBondContact O-CB 3.39Å; A273-N277 PolarHBondContact O-N 3.25Å |
| 274 | Q | 85.2 | Confident | 85.1 | Confident | 116 Ų | 116 | 105.2 Ų | 105.2 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 173.1 | -79.4 | 172.7 | -16.3 | 0 | 0 | 111.6 | I270 S271 A272 E276 N277 Q278 | I270-Q274 HydrophobicContact CG2-CG 4.3Å; I270-Q274 WeakPolarHBondContact O-CB 3.41Å; I270-Q274 VanDerWaalsContact O-CG 3.24Å; I270-Q274 WeakPolarHBondContact O-CG 3.24Å; I270-Q274 PolarHBondContact O-N 2.93Å; S271-Q274 PolarHBondContact O-N 2.87Å; A272-Q274 VanDerWaalsContact C-N 3.31Å; A272-Q274 PolarHBondContact O-N 3.33Å; Q274-E276 VanDerWaalsContact C-N 3.35Å; Q274-N277 PolarHBondContact O-N 3.41Å; Q274-Q278 WeakPolarHBondContact O-CB 3.36Å; Q274-Q278 WeakPolarHBondContact O-CG 3.46Å; Q274-Q278 PolarHBondContact O-N 2.79Å |
| 275 | Q | 86.1 | Confident | 84.5 | Confident | 107 Ų | 107 | 106.4 Ų | 106.4 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 173.8 | -72.1 | 178.5 | 3.6 | 0 | 0 | 111.5 | S271 A272 Q278 R279 | S271-Q275 WeakPolarHBondContact O-CG 3.32Å; S271-Q275 PolarHBondContact O-N 3.29Å; A272-Q275 PolarHBondContact O-N 2.82Å; Q275-Q278 PolarHBondContact O-N 3.34Å; Q275-R279 WeakPolarHBondContact O-CG 3.48Å; Q275-R279 PolarHBondContact O-N 2.76Å |
| 276 | E | 83.4 | Confident | 83.8 | Confident | 122 Ų | 122 | 102.3 Ų | 102.3 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.9 | -41.4 | 175.1 | -171.8 | 168.8 | -157.1 | 0 | 0 | 111.6 | A272 Q274 Q278 R279 L280 | A272-E276 WeakPolarHBondContact O-CB 3.37Å; A272-E276 PolarHBondContact O-N 2.95Å; Q274-E276 VanDerWaalsContact C-N 3.35Å; E276-Q278 VanDerWaalsContact C-N 3.33Å; E276-Q278 PolarHBondContact O-N 3.48Å; E276-R279 CarbonylContact O-C 3.6Å; E276-R279 WeakPolarHBondContact O-CB 3.35Å; E276-R279 PolarHBondContact O-N 3.02Å; E276-L280 HydrophobicContact CG-CD1 4.26Å; E276-L280 WeakPolarHBondContact O-CB 3.46Å; E276-L280 WeakPolarHBondContact O-CG 3.33Å; E276-L280 PolarHBondContact O-N 2.85Å |
| 277 | N | 82.9 | Confident | 83.2 | Confident | 82 Ų | 82 | 99.4 Ų | 99.4 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -34.6 | 174.1 | -161.3 | -64.7 | 0 | 0 | 0 | 111.8 | A273 Q274 L280 K281 | A273-N277 WeakPolarHBondContact O-CB 3.39Å; A273-N277 PolarHBondContact O-N 3.25Å; Q274-N277 PolarHBondContact O-N 3.41Å; N277-L280 PolarHBondContact O-N 3.44Å; N277-K281 VanDerWaalsContact O-CB 3.3Å; N277-K281 WeakPolarHBondContact O-CB 3.44Å; N277-K281 VanDerWaalsContact O-CG 3.27Å; N277-K281 WeakPolarHBondContact O-CG 3.16Å; N277-K281 PolarHBondContact O-N 2.8Å; N277-K281 WeakPolarHBondContact OD1-CE 3.42Å |
| 278 | Q | 83.1 | Confident | 82.3 | Confident | 127 Ų | 127 | 100.5 Ų | 100.5 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -41.8 | 170.5 | -76.6 | 173.6 | -16.5 | 0 | 0 | 112.2 | Q274 Q275 E276 K281 T282 | Q274-Q278 WeakPolarHBondContact O-CB 3.36Å; Q274-Q278 WeakPolarHBondContact O-CG 3.46Å; Q274-Q278 PolarHBondContact O-N 2.79Å; Q275-Q278 PolarHBondContact O-N 3.34Å; E276-Q278 VanDerWaalsContact C-N 3.33Å; E276-Q278 PolarHBondContact O-N 3.48Å; Q278-K281 PolarHBondContact O-N 3.44Å; Q278-T282 PolarHBondContact O-N 2.95Å; Q278-T282 PolarHBondContact O-OG1 3.19Å |
| 279 | R | 86 | Confident | 81.7 | Confident | 177 Ų | 177 | 100.5 Ų | 100.5 | 67% | 0.668 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.7 | -43.1 | 172.7 | -72.2 | 174.1 | -179.8 | -173.4 | 0.4 | 111.9 | Q275 E276 T282 T283 | Q275-R279 WeakPolarHBondContact O-CG 3.48Å; Q275-R279 PolarHBondContact O-N 2.76Å; E276-R279 CarbonylContact O-C 3.6Å; E276-R279 WeakPolarHBondContact O-CB 3.35Å; E276-R279 PolarHBondContact O-N 3.02Å; R279-T282 WeakPolarHBondContact CA-OG1 3.49Å; R279-T282 PolarHBondContact O-N 3.19Å; R279-T282 PolarHBondContact O-OG1 2.93Å; R279-T283 WeakPolarHBondContact O-CG2 3.32Å; R279-T283 PolarHBondContact O-N 2.95Å; R279-T283 PolarHBondContact O-OG1 3.4Å |
| 280 | L | 82.1 | Confident | 81.1 | Confident | 106 Ų | 106 | 99.5 Ų | 99.5 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.6 | -35.9 | 176.5 | -70.5 | 172.3 | 0 | 0 | 0 | 112.1 | E276 N277 T283 L284 | E276-L280 HydrophobicContact CG-CD1 4.26Å; E276-L280 WeakPolarHBondContact O-CB 3.46Å; E276-L280 WeakPolarHBondContact O-CG 3.33Å; E276-L280 PolarHBondContact O-N 2.85Å; N277-L280 PolarHBondContact O-N 3.44Å; L280-T283 WeakPolarHBondContact CA-OG1 3.41Å; L280-T283 PolarHBondContact O-OG1 3.48Å; L280-L284 WeakPolarHBondContact O-CB 3.3Å; L280-L284 PolarHBondContact O-N 3.32Å |
| 281 | K | 83.3 | Confident | 80.5 | Confident | 125 Ų | 125 | 98.7 Ų | 98.7 | 54% | 0.543 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 173.3 | -81.4 | 174.6 | 175.1 | 176.4 | 0 | 112.4 | N277 Q278 L284 Q285 | N277-K281 VanDerWaalsContact O-CB 3.3Å; N277-K281 WeakPolarHBondContact O-CB 3.44Å; N277-K281 VanDerWaalsContact O-CG 3.27Å; N277-K281 WeakPolarHBondContact O-CG 3.16Å; N277-K281 PolarHBondContact O-N 2.8Å; N277-K281 WeakPolarHBondContact OD1-CE 3.42Å; Q278-K281 PolarHBondContact O-N 3.44Å; K281-L284 PolarHBondContact O-N 3.35Å; K281-Q285 WeakPolarHBondContact O-CB 3.16Å; K281-Q285 VanDerWaalsContact O-CG 3.32Å; K281-Q285 WeakPolarHBondContact O-CG 3.27Å; K281-Q285 PolarHBondContact O-N 3.39Å |
| 282 | T | 80 | Confident | 79.9 | Confident | 71 Ų | 71 | 100 Ų | 100 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.3 | -45.9 | 177.5 | 41.2 | 0 | 0 | 0 | 0 | 111.3 | Q278 R279 L284 Q285 E286 | Q278-T282 PolarHBondContact O-N 2.95Å; Q278-T282 PolarHBondContact O-OG1 3.19Å; R279-T282 WeakPolarHBondContact CA-OG1 3.49Å; R279-T282 PolarHBondContact O-N 3.19Å; R279-T282 PolarHBondContact O-OG1 2.93Å; T282-L284 PolarHBondContact O-N 3.22Å; T282-Q285 PolarHBondContact O-N 2.82Å; T282-E286 WeakPolarHBondContact O-CG 3.08Å; T282-E286 PolarHBondContact O-N 3.45Å |
| 283 | T | 79.2 | Confident | 79.2 | Confident | 68 Ų | 68 | 102.6 Ų | 102.6 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.4 | -35.6 | 173.9 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | R279 L280 E286 V287 | R279-T283 WeakPolarHBondContact O-CG2 3.32Å; R279-T283 PolarHBondContact O-N 2.95Å; R279-T283 PolarHBondContact O-OG1 3.4Å; L280-T283 WeakPolarHBondContact CA-OG1 3.41Å; L280-T283 PolarHBondContact O-OG1 3.48Å; T283-E286 PolarHBondContact O-N 3.2Å; T283-V287 VanDerWaalsContact O-CG2 3.31Å; T283-V287 WeakPolarHBondContact O-CG2 3.31Å; T283-V287 PolarHBondContact O-N 3.5Å |
| 284 | L | 80.1 | Confident | 78.8 | Confident | 96 Ų | 96 | 105 Ų | 105 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 172 | -173.6 | 75.3 | 0 | 0 | 0 | 111.4 | L280 K281 T282 V287 Q288 | L280-L284 WeakPolarHBondContact O-CB 3.3Å; L280-L284 PolarHBondContact O-N 3.32Å; K281-L284 PolarHBondContact O-N 3.35Å; T282-L284 PolarHBondContact O-N 3.22Å; L284-V287 PolarHBondContact O-N 2.86Å; L284-Q288 WeakPolarHBondContact O-CB 3.25Å; L284-Q288 VanDerWaalsContact O-CG 3.27Å; L284-Q288 WeakPolarHBondContact O-CG 3.44Å; L284-Q288 PolarHBondContact O-N 3.31Å |
| 285 | Q | 77.6 | Confident | 78.1 | Confident | 112 Ų | 112 | 104.6 Ų | 104.6 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 175.1 | -79.5 | 177.7 | -26.9 | 0 | 0 | 111.9 | K281 T282 V287 Q288 Q289 | K281-Q285 WeakPolarHBondContact O-CB 3.16Å; K281-Q285 VanDerWaalsContact O-CG 3.32Å; K281-Q285 WeakPolarHBondContact O-CG 3.27Å; K281-Q285 PolarHBondContact O-N 3.39Å; T282-Q285 PolarHBondContact O-N 2.82Å; Q285-V287 PolarHBondContact O-N 2.95Å; Q285-Q288 PolarHBondContact O-N 2.9Å; Q285-Q289 WeakPolarHBondContact O-CG 3.38Å; Q285-Q289 PolarHBondContact O-N 3.37Å |
| 286 | E | 75.7 | Confident | 77.7 | Confident | 94 Ų | 94 | 106.1 Ų | 106.1 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 173.5 | -73.6 | -178.2 | -150.1 | 0 | 0 | 112.3 | T282 T283 Q289 K290 | T282-E286 WeakPolarHBondContact O-CG 3.08Å; T282-E286 PolarHBondContact O-N 3.45Å; T283-E286 PolarHBondContact O-N 3.2Å; E286-Q289 PolarHBondContact O-N 2.89Å; E286-K290 WeakPolarHBondContact O-CB 3.44Å; E286-K290 WeakPolarHBondContact O-CD 3.27Å; E286-K290 VanDerWaalsContact O-CG 3.25Å; E286-K290 WeakPolarHBondContact O-CG 3.37Å; E286-K290 PolarHBondContact O-N 2.85Å; E286-K290 IonicContact OE2-NZ 2.71Å; E286-K290 PolarHBondContact OE2-NZ 2.87Å |
| 287 | V | 73.3 | Confident | 77.3 | Confident | 83 Ų | 83 | 107.2 Ų | 107.2 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -38 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | T283 L284 Q285 K290 L291 | T283-V287 VanDerWaalsContact O-CG2 3.31Å; T283-V287 WeakPolarHBondContact O-CG2 3.31Å; T283-V287 PolarHBondContact O-N 3.5Å; L284-V287 PolarHBondContact O-N 2.86Å; Q285-V287 PolarHBondContact O-N 2.95Å; V287-K290 PolarHBondContact O-N 3.28Å; V287-L291 WeakPolarHBondContact O-CB 3.37Å; V287-L291 PolarHBondContact O-N 2.8Å |
| 288 | Q | 71.3 | Confident | 76.9 | Confident | 108 Ų | 108 | 107.7 Ų | 107.7 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -33.7 | 174.1 | -77.7 | 176.4 | -16.9 | 0 | 0 | 112.8 | L284 Q285 L291 P292 | L284-Q288 WeakPolarHBondContact O-CB 3.25Å; L284-Q288 VanDerWaalsContact O-CG 3.27Å; L284-Q288 WeakPolarHBondContact O-CG 3.44Å; L284-Q288 PolarHBondContact O-N 3.31Å; Q285-Q288 PolarHBondContact O-N 2.9Å; Q288-L291 WeakPolarHBondContact O-CB 3.33Å; Q288-P292 WeakPolarHBondContact O-CD 3.31Å |
| 289 | Q | 74.9 | Confident | 76.5 | Confident | 143 Ų | 143 | 107.1 Ų | 107.1 | 67% | 0.668 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -74 | -34.3 | 172.6 | -73.4 | 177.9 | 0.5 | 0 | 0 | 112.5 | Q285 E286 P292 | Q285-Q289 WeakPolarHBondContact O-CG 3.38Å; Q285-Q289 PolarHBondContact O-N 3.37Å; E286-Q289 PolarHBondContact O-N 2.89Å; Q289-P292 VanDerWaalsContact O-CD 3.28Å; Q289-P292 WeakPolarHBondContact O-CD 3.37Å; Q289-P292 VanDerWaalsContact O-CG 3.31Å; Q289-P292 WeakPolarHBondContact O-CG 3.39Å |
| 290 | K | 75.5 | Confident | 75.9 | Confident | 100 Ų | 100 | 103.3 Ų | 103.3 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.4 | -22 | 173.9 | -69.3 | 161 | -173.6 | 161.3 | 0 | 112.8 | E286 V287 E293 L294 | E286-K290 WeakPolarHBondContact O-CB 3.44Å; E286-K290 WeakPolarHBondContact O-CD 3.27Å; E286-K290 VanDerWaalsContact O-CG 3.25Å; E286-K290 WeakPolarHBondContact O-CG 3.37Å; E286-K290 PolarHBondContact O-N 2.85Å; E286-K290 IonicContact OE2-NZ 2.71Å; E286-K290 PolarHBondContact OE2-NZ 2.87Å; V287-K290 PolarHBondContact O-N 3.28Å; K290-E293 PolarHBondContact O-N 3.26Å; K290-L294 WeakPolarHBondContact O-CB 3.28Å; K290-L294 WeakPolarHBondContact O-CG 3.44Å; K290-L294 PolarHBondContact O-N 2.86Å |
| 291 | L | 76 | Confident | 75.4 | Confident | 77 Ų | 77 | 104.8 Ų | 104.8 | 40% | 0.403 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 179.7 | -116.5 | 164 | 0 | 0 | 0 | 115 | V287 Q288 L294 H295 | V287-L291 WeakPolarHBondContact O-CB 3.37Å; V287-L291 PolarHBondContact O-N 2.8Å; Q288-L291 WeakPolarHBondContact O-CB 3.33Å; L291-L294 PolarHBondContact O-N 2.82Å; L291-H295 WeakPolarHBondContact O-CB 3.32Å; L291-H295 PolarHBondContact O-N 2.89Å; L291-H295 PolarHBondContact O-ND1 3.43Å |
| 292 | P | 73.4 | Confident | 74.9 | Confident | 80 Ų | 80 | 103.8 Ų | 103.8 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.1 | -34.2 | 172.4 | 25.4 | -34.6 | 0 | 0 | 0 | 112.7 | Q288 Q289 H295 R296 | Q288-P292 WeakPolarHBondContact O-CD 3.31Å; Q289-P292 VanDerWaalsContact O-CD 3.28Å; Q289-P292 WeakPolarHBondContact O-CD 3.37Å; Q289-P292 VanDerWaalsContact O-CG 3.31Å; Q289-P292 WeakPolarHBondContact O-CG 3.39Å; P292-H295 PolarHBondContact O-N 3.43Å; P292-R296 WeakPolarHBondContact O-CB 3.04Å; P292-R296 PolarHBondContact O-N 2.97Å |
| 293 | E | 72.9 | Confident | 74.6 | Confident | 108 Ų | 108 | 106 Ų | 106 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 174.2 | -61.6 | -169.9 | 149.9 | 0 | 0 | 112 | K290 R296 R297 | K290-E293 PolarHBondContact O-N 3.26Å; E293-R296 PolarHBondContact O-N 3.41Å; E293-R297 WeakPolarHBondContact O-CG 3.47Å; E293-R297 PolarHBondContact O-N 3.21Å |
| 294 | L | 72 | Confident | 74.1 | Confident | 102 Ų | 102 | 105.2 Ų | 105.2 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.8 | -36.2 | 175.4 | -72.6 | 170.5 | 0 | 0 | 0 | 112.1 | K290 L291 R297 L298 | K290-L294 WeakPolarHBondContact O-CB 3.28Å; K290-L294 WeakPolarHBondContact O-CG 3.44Å; K290-L294 PolarHBondContact O-N 2.86Å; L291-L294 PolarHBondContact O-N 2.82Å; L294-R297 PolarHBondContact O-N 3.41Å; L294-L298 WeakPolarHBondContact O-CB 3.32Å; L294-L298 PolarHBondContact O-N 3.49Å |
| 295 | H | 72.1 | Confident | 74 | Confident | 109 Ų | 109 | 106.3 Ų | 106.3 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 170.4 | -93.7 | 82.7 | 0 | 0 | 0 | 112 | L291 P292 L298 Q299 | L291-H295 WeakPolarHBondContact O-CB 3.32Å; L291-H295 PolarHBondContact O-N 2.89Å; L291-H295 PolarHBondContact O-ND1 3.43Å; P292-H295 PolarHBondContact O-N 3.43Å; H295-L298 PolarHBondContact O-N 2.87Å; H295-Q299 PolarHBondContact O-N 2.62Å |
| 296 | R | 76.9 | Confident | 73.7 | Confident | 138 Ų | 138 | 106 Ų | 106 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 174.5 | -168.7 | -180 | 75.1 | 78.4 | 8.8 | 110.9 | P292 E293 L298 Q299 E300 | P292-R296 WeakPolarHBondContact O-CB 3.04Å; P292-R296 PolarHBondContact O-N 2.97Å; E293-R296 PolarHBondContact O-N 3.41Å; R296-L298 VanDerWaalsContact C-N 3.32Å; R296-L298 PolarHBondContact O-N 3.19Å; R296-Q299 PolarHBondContact O-N 2.7Å; R296-E300 IonicContact CZ-OE1 3.93Å; R296-E300 IonicContact NH1-OE1 2.66Å; R296-E300 PolarHBondContact NH1-OE1 3.39Å; R296-E300 IonicContact NH1-OE2 2.62Å; R296-E300 WeakPolarHBondContact O-CG 3.37Å; R296-E300 PolarHBondContact O-N 2.99Å |
| 297 | R | 74.6 | Confident | 73.6 | Confident | 146 Ų | 146 | 109.6 Ų | 109.6 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.2 | -37.2 | 174 | -73 | 177.2 | -177.7 | 171.2 | 5.6 | 112.6 | E293 L294 H301 | E293-R297 WeakPolarHBondContact O-CG 3.47Å; E293-R297 PolarHBondContact O-N 3.21Å; L294-R297 PolarHBondContact O-N 3.41Å; R297-H301 WeakPolarHBondContact O-CB 3.38Å; R297-H301 PolarHBondContact O-N 2.88Å |
| 298 | L | 75.3 | Confident | 73.5 | Confident | 91 Ų | 91 | 110.8 Ų | 110.8 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 176.4 | -169.9 | 74 | 0 | 0 | 0 | 111.5 | L294 H295 R296 H301 Q302 | L294-L298 WeakPolarHBondContact O-CB 3.32Å; L294-L298 PolarHBondContact O-N 3.49Å; H295-L298 PolarHBondContact O-N 2.87Å; R296-L298 VanDerWaalsContact C-N 3.32Å; R296-L298 PolarHBondContact O-N 3.19Å; L298-H301 CarbonylContact O-C 3.54Å; L298-H301 PolarHBondContact O-N 2.84Å; L298-Q302 WeakPolarHBondContact O-CB 3.25Å; L298-Q302 VanDerWaalsContact O-CG 3.28Å; L298-Q302 WeakPolarHBondContact O-CG 3.45Å; L298-Q302 PolarHBondContact O-N 3.27Å |
| 299 | Q | 74.2 | Confident | 73.6 | Confident | 115 Ų | 115 | 110.2 Ų | 110.2 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 174.2 | -77.4 | -173.8 | -29.2 | 0 | 0 | 112 | H295 R296 H301 Q302 H303 | H295-Q299 PolarHBondContact O-N 2.62Å; R296-Q299 PolarHBondContact O-N 2.7Å; Q299-H301 VanDerWaalsContact C-N 3.27Å; Q299-H301 PolarHBondContact O-N 3.25Å; Q299-Q302 PolarHBondContact O-N 3.06Å; Q299-H303 WeakPolarHBondContact O-CB 3.13Å; Q299-H303 PolarHBondContact O-CD2 3.41Å; Q299-H303 PolarHBondContact O-N 3.22Å |
| 300 | E | 72.9 | Confident | 73.5 | Confident | 98 Ų | 98 | 109 Ų | 109 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.1 | -41.6 | 170.5 | -71.2 | 169.7 | 155.6 | 0 | 0 | 111 | R296 S304 | R296-E300 IonicContact CZ-OE1 3.93Å; R296-E300 IonicContact NH1-OE1 2.66Å; R296-E300 PolarHBondContact NH1-OE1 3.39Å; R296-E300 IonicContact NH1-OE2 2.62Å; R296-E300 WeakPolarHBondContact O-CG 3.37Å; R296-E300 PolarHBondContact O-N 2.99Å; E300-S304 WeakPolarHBondContact O-CB 3.33Å; E300-S304 PolarHBondContact O-N 2.9Å; E300-S304 PolarHBondContact O-OG 2.85Å |
| 301 | H | 71.9 | Confident | 73.3 | Confident | 137 Ų | 137 | 111.4 Ų | 111.4 | 63% | 0.634 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -72 | -31.6 | 178.2 | -149.2 | -27 | 0 | 0 | 0 | 113.2 | R297 L298 Q299 S304 K305 | R297-H301 WeakPolarHBondContact O-CB 3.38Å; R297-H301 PolarHBondContact O-N 2.88Å; L298-H301 CarbonylContact O-C 3.54Å; L298-H301 PolarHBondContact O-N 2.84Å; Q299-H301 VanDerWaalsContact C-N 3.27Å; Q299-H301 PolarHBondContact O-N 3.25Å; H301-S304 VanDerWaalsContact CA-OG 3.25Å; H301-S304 WeakPolarHBondContact CA-OG 3.45Å; H301-S304 PolarHBondContact O-OG 3.14Å; H301-S304 VanDerWaalsContact O-OG 3.06Å; H301-K305 VanDerWaalsContact O-CB 3.26Å; H301-K305 WeakPolarHBondContact O-CB 3.4Å; H301-K305 PolarHBondContact O-N 2.93Å |
| 302 | Q | 72.9 | Confident | 73.3 | Confident | 103 Ų | 103 | 115.5 Ų | 115.5 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.8 | -44.8 | 174 | -76.8 | 173.2 | -10.7 | 0 | 0 | 111.7 | L298 Q299 K305 Q306 | L298-Q302 WeakPolarHBondContact O-CB 3.25Å; L298-Q302 VanDerWaalsContact O-CG 3.28Å; L298-Q302 WeakPolarHBondContact O-CG 3.45Å; L298-Q302 PolarHBondContact O-N 3.27Å; Q299-Q302 PolarHBondContact O-N 3.06Å; Q302-K305 PolarHBondContact O-N 3.34Å; Q302-Q306 WeakPolarHBondContact O-CG 3.33Å; Q302-Q306 PolarHBondContact O-N 2.82Å |
| 303 | H | 73.6 | Confident | 73.3 | Confident | 117 Ų | 117 | 114.4 Ų | 114.4 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 175.2 | -78.8 | -48.1 | 0 | 0 | 0 | 112.6 | Q299 Q306 R307 | Q299-H303 WeakPolarHBondContact O-CB 3.13Å; Q299-H303 PolarHBondContact O-CD2 3.41Å; Q299-H303 PolarHBondContact O-N 3.22Å; H303-Q306 PolarHBondContact ND1-OE1 3.2Å; H303-Q306 PolarHBondContact O-N 2.87Å; H303-R307 WeakPolarHBondContact O-CB 3.28Å; H303-R307 WeakPolarHBondContact O-CG 3.4Å; H303-R307 PolarHBondContact O-N 2.97Å |
| 304 | S | 69.4 | Low | 73.2 | Confident | 53 Ų | 53 | 114.7 Ų | 114.7 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.1 | -34.1 | 172.1 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | E300 H301 M308 | E300-S304 WeakPolarHBondContact O-CB 3.33Å; E300-S304 PolarHBondContact O-N 2.9Å; E300-S304 PolarHBondContact O-OG 2.85Å; H301-S304 VanDerWaalsContact CA-OG 3.25Å; H301-S304 WeakPolarHBondContact CA-OG 3.45Å; H301-S304 PolarHBondContact O-OG 3.14Å; H301-S304 VanDerWaalsContact O-OG 3.06Å; S304-M308 WeakPolarHBondContact O-CB 3.23Å; S304-M308 WeakPolarHBondContact O-CG 3.21Å; S304-M308 PolarHBondContact O-N 3Å |
| 305 | K | 76.4 | Confident | 73.2 | Confident | 118 Ų | 118 | 115.5 Ų | 115.5 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 171.4 | -171.2 | -177 | -179.1 | -109.9 | 0 | 112.2 | H301 Q302 M308 E309 | H301-K305 VanDerWaalsContact O-CB 3.26Å; H301-K305 WeakPolarHBondContact O-CB 3.4Å; H301-K305 PolarHBondContact O-N 2.93Å; Q302-K305 PolarHBondContact O-N 3.34Å; K305-M308 CarbonylContact O-C 3.56Å; K305-M308 WeakPolarHBondContact O-CB 3.29Å; K305-M308 PolarHBondContact O-N 2.66Å; K305-M308 VanDerWaalsContact O-N 3.14Å; K305-E309 WeakPolarHBondContact CE-OE1 3.26Å; K305-E309 IonicContact NZ-OE1 3.24Å; K305-E309 PolarHBondContact NZ-OE1 2.97Å; K305-E309 IonicContact NZ-OE2 3.46Å; K305-E309 WeakPolarHBondContact O-CG 3.48Å; K305-E309 PolarHBondContact O-N 3.48Å |
| 306 | Q | 72.4 | Confident | 73.4 | Confident | 105 Ų | 105 | 117.4 Ų | 117.4 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.9 | -48.4 | 175.7 | -76.3 | 171.9 | -25.3 | 0 | 0 | 110.8 | Q302 H303 M308 E309 E310 | Q302-Q306 WeakPolarHBondContact O-CG 3.33Å; Q302-Q306 PolarHBondContact O-N 2.82Å; H303-Q306 PolarHBondContact ND1-OE1 3.2Å; H303-Q306 PolarHBondContact O-N 2.87Å; Q306-M308 VanDerWaalsContact C-N 3.3Å; Q306-M308 PolarHBondContact O-N 3.03Å; Q306-E309 PolarHBondContact O-N 3.44Å; Q306-E310 WeakPolarHBondContact O-CG 3.39Å; Q306-E310 PolarHBondContact O-N 3.3Å |
| 307 | R | 73.9 | Confident | 73.3 | Confident | 170 Ų | 170 | 115.9 Ų | 115.9 | 64% | 0.642 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57.4 | -40.6 | 172.6 | -78.1 | 178.2 | 152.9 | -165.4 | -8.1 | 112.8 | H303 E309 E310 Y311 | H303-R307 WeakPolarHBondContact O-CB 3.28Å; H303-R307 WeakPolarHBondContact O-CG 3.4Å; H303-R307 PolarHBondContact O-N 2.97Å; R307-E309 VanDerWaalsContact C-N 3.33Å; R307-E310 PolarHBondContact O-N 2.78Å; R307-Y311 WeakPolarHBondContact O-CB 3.41Å; R307-Y311 WeakPolarHBondContact O-CD2 3.44Å; R307-Y311 PolarHBondContact O-N 2.87Å |
| 308 | M | 71.1 | Confident | 73.2 | Confident | 108 Ų | 108 | 112.4 Ų | 112.4 | 53% | 0.532 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.6 | -30.5 | 174.8 | -80.4 | -67.6 | -65.4 | 0 | 0 | 113.3 | S304 K305 Q306 R312 | S304-M308 WeakPolarHBondContact O-CB 3.23Å; S304-M308 WeakPolarHBondContact O-CG 3.21Å; S304-M308 PolarHBondContact O-N 3Å; K305-M308 CarbonylContact O-C 3.56Å; K305-M308 WeakPolarHBondContact O-CB 3.29Å; K305-M308 PolarHBondContact O-N 2.66Å; K305-M308 VanDerWaalsContact O-N 3.14Å; Q306-M308 VanDerWaalsContact C-N 3.3Å; Q306-M308 PolarHBondContact O-N 3.03Å; M308-R312 VanDerWaalsContact O-CB 3.29Å; M308-R312 WeakPolarHBondContact O-CB 3.33Å; M308-R312 VanDerWaalsContact O-CG 3.23Å; M308-R312 WeakPolarHBondContact O-CG 3.3Å; M308-R312 PolarHBondContact O-N 2.87Å |
| 309 | E | 73.5 | Confident | 73.1 | Confident | 97 Ų | 97 | 111.2 Ų | 111.2 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -74.4 | -39.2 | 174.1 | -74.2 | 172.5 | 173.3 | 0 | 0 | 111.2 | K305 Q306 R307 R312 A313 | K305-E309 WeakPolarHBondContact CE-OE1 3.26Å; K305-E309 IonicContact NZ-OE1 3.24Å; K305-E309 PolarHBondContact NZ-OE1 2.97Å; K305-E309 IonicContact NZ-OE2 3.46Å; K305-E309 WeakPolarHBondContact O-CG 3.48Å; K305-E309 PolarHBondContact O-N 3.48Å; Q306-E309 PolarHBondContact O-N 3.44Å; R307-E309 VanDerWaalsContact C-N 3.33Å; E309-R312 PolarHBondContact O-N 3.46Å; E309-A313 PolarHBondContact O-N 2.84Å |
| 310 | E | 72.2 | Confident | 73.2 | Confident | 117 Ų | 117 | 111.2 Ų | 111.2 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -49.9 | 170.5 | -69.9 | 168.8 | 168.6 | 0 | 0 | 111.8 | Q306 R307 R312 A313 Q314 | Q306-E310 WeakPolarHBondContact O-CG 3.39Å; Q306-E310 PolarHBondContact O-N 3.3Å; R307-E310 PolarHBondContact O-N 2.78Å; E310-R312 VanDerWaalsContact C-N 3.32Å; E310-R312 PolarHBondContact O-N 3.43Å; E310-A313 WeakPolarHBondContact O-CB 3.4Å; E310-A313 PolarHBondContact O-N 3.37Å; E310-A313 VanDerWaalsContact O-N 3.12Å; E310-Q314 WeakPolarHBondContact O-CG 3.43Å; E310-Q314 PolarHBondContact O-N 3.34Å |
| 311 | Y | 71.1 | Confident | 73.3 | Confident | 150 Ų | 150 | 112.6 Ų | 112.6 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.1 | -38 | 175 | -86.4 | -63 | 0 | 0 | 0 | 112.2 | R307 A313 Q314 Q315 | R307-Y311 WeakPolarHBondContact O-CB 3.41Å; R307-Y311 WeakPolarHBondContact O-CD2 3.44Å; R307-Y311 PolarHBondContact O-N 2.87Å; Y311-A313 VanDerWaalsContact C-N 3.34Å; Y311-Q314 PolarHBondContact O-N 3.1Å; Y311-Q315 VanDerWaalsContact O-CB 3.3Å; Y311-Q315 WeakPolarHBondContact O-CB 3.49Å; Y311-Q315 PolarHBondContact O-N 2.84Å |
| 312 | R | 75.8 | Confident | 73.4 | Confident | 164 Ų | 164 | 110.6 Ų | 110.6 | 62% | 0.619 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.9 | -32.5 | 173.8 | -82.6 | 175.7 | 171.4 | -172.1 | -1.5 | 113 | M308 E309 E310 K316 | M308-R312 VanDerWaalsContact O-CB 3.29Å; M308-R312 WeakPolarHBondContact O-CB 3.33Å; M308-R312 VanDerWaalsContact O-CG 3.23Å; M308-R312 WeakPolarHBondContact O-CG 3.3Å; M308-R312 PolarHBondContact O-N 2.87Å; E309-R312 PolarHBondContact O-N 3.46Å; E310-R312 VanDerWaalsContact C-N 3.32Å; E310-R312 PolarHBondContact O-N 3.43Å; R312-K316 WeakPolarHBondContact O-CG 3.32Å; R312-K316 PolarHBondContact O-N 2.98Å; R312-K316 VanDerWaalsContact O-N 3.1Å |
| 313 | A | 73.6 | Confident | 73.5 | Confident | 56 Ų | 56 | 113.3 Ų | 113.3 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.4 | -43.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E309 E310 Y311 K316 L317 | E309-A313 PolarHBondContact O-N 2.84Å; E310-A313 WeakPolarHBondContact O-CB 3.4Å; E310-A313 PolarHBondContact O-N 3.37Å; E310-A313 VanDerWaalsContact O-N 3.12Å; Y311-A313 VanDerWaalsContact C-N 3.34Å; A313-K316 PolarHBondContact O-N 3.28Å; A313-L317 PolarHBondContact O-N 3.43Å |
| 314 | Q | 70.8 | Confident | 73.6 | Confident | 114 Ų | 114 | 112.8 Ų | 112.8 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 173.8 | -68.9 | 174.4 | -2.8 | 0 | 0 | 111.8 | E310 Y311 K316 L317 V318 | E310-Q314 WeakPolarHBondContact O-CG 3.43Å; E310-Q314 PolarHBondContact O-N 3.34Å; Y311-Q314 PolarHBondContact O-N 3.1Å; Q314-K316 VanDerWaalsContact C-N 3.31Å; Q314-K316 PolarHBondContact O-N 3.12Å; Q314-L317 WeakPolarHBondContact O-CB 3.47Å; Q314-L317 PolarHBondContact O-N 3.38Å; Q314-L317 VanDerWaalsContact O-N 3.14Å; Q314-V318 PolarHBondContact O-N 2.95Å; Q314-V318 VanDerWaalsContact O-N 3.08Å |
| 315 | Q | 72.1 | Confident | 73.9 | Confident | 120 Ų | 120 | 115.6 Ų | 115.6 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -34.4 | 178.1 | -170.4 | 169.7 | 7.6 | 0 | 0 | 112.4 | Y311 V318 D319 | Y311-Q315 VanDerWaalsContact O-CB 3.3Å; Y311-Q315 WeakPolarHBondContact O-CB 3.49Å; Y311-Q315 PolarHBondContact O-N 2.84Å; Q315-V318 PolarHBondContact O-N 3.41Å; Q315-D319 VanDerWaalsContact O-CB 3.32Å; Q315-D319 WeakPolarHBondContact O-CB 3.43Å; Q315-D319 VanDerWaalsContact O-CG 3.3Å; Q315-D319 PolarHBondContact O-N 2.95Å |
| 316 | K | 75.7 | Confident | 73.8 | Confident | 149 Ų | 149 | 113.4 Ų | 113.4 | 65% | 0.648 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.3 | -35.1 | 173 | -81.3 | -178.8 | 176 | -173.4 | 0 | 113.7 | R312 A313 Q314 Q320 | R312-K316 WeakPolarHBondContact O-CG 3.32Å; R312-K316 PolarHBondContact O-N 2.98Å; R312-K316 VanDerWaalsContact O-N 3.1Å; A313-K316 PolarHBondContact O-N 3.28Å; Q314-K316 VanDerWaalsContact C-N 3.31Å; Q314-K316 PolarHBondContact O-N 3.12Å; K316-Q320 PolarHBondContact O-N 2.87Å; K316-Q320 VanDerWaalsContact O-N 3.1Å |
| 317 | L | 74.8 | Confident | 74.1 | Confident | 105 Ų | 105 | 112.2 Ų | 112.2 | 55% | 0.55 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.3 | -47.7 | 174.6 | -73.9 | 165.6 | 0 | 0 | 0 | 110.4 | A313 Q314 D319 Q320 E321 | A313-L317 PolarHBondContact O-N 3.43Å; Q314-L317 WeakPolarHBondContact O-CB 3.47Å; Q314-L317 PolarHBondContact O-N 3.38Å; Q314-L317 VanDerWaalsContact O-N 3.14Å; L317-D319 VanDerWaalsContact C-N 3.3Å; L317-D319 PolarHBondContact O-N 3.37Å; L317-Q320 WeakPolarHBondContact O-CA 3.37Å; L317-Q320 WeakPolarHBondContact O-CB 3.47Å; L317-Q320 PolarHBondContact O-N 3.4Å; L317-E321 WeakPolarHBondContact O-CG 3.33Å; L317-E321 PolarHBondContact O-N 3.22Å |
| 318 | V | 73.4 | Confident | 74.1 | Confident | 73 Ų | 73 | 110.1 Ų | 110.1 | 44% | 0.442 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 175.7 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | Q314 Q315 Q320 E321 L322 | Q314-V318 PolarHBondContact O-N 2.95Å; Q314-V318 VanDerWaalsContact O-N 3.08Å; Q315-V318 PolarHBondContact O-N 3.41Å; V318-Q320 VanDerWaalsContact C-N 3.28Å; V318-Q320 PolarHBondContact O-N 3.4Å; V318-E321 PolarHBondContact O-N 3.37Å; V318-L322 HydrophobicContact CG1-CD1 4.21Å; V318-L322 WeakPolarHBondContact O-CB 3.45Å; V318-L322 PolarHBondContact O-N 2.87Å |
| 319 | D | 73.1 | Confident | 74.3 | Confident | 66 Ų | 66 | 110.4 Ų | 110.4 | 35% | 0.353 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.5 | -22 | 173.2 | -80.8 | -12.3 | 0 | 0 | 0 | 113.3 | Q315 L317 R323 | Q315-D319 VanDerWaalsContact O-CB 3.32Å; Q315-D319 WeakPolarHBondContact O-CB 3.43Å; Q315-D319 VanDerWaalsContact O-CG 3.3Å; Q315-D319 PolarHBondContact O-N 2.95Å; L317-D319 VanDerWaalsContact C-N 3.3Å; L317-D319 PolarHBondContact O-N 3.37Å; D319-R323 WeakPolarHBondContact O-CD 3.48Å; D319-R323 WeakPolarHBondContact O-CG 3.36Å; D319-R323 PolarHBondContact O-NE 2.91Å |
| 320 | Q | 77.2 | Confident | 74.4 | Confident | 116 Ų | 116 | 111.1 Ų | 111.1 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -81.4 | -49.3 | 170.3 | -80.4 | -176.5 | -87.7 | 0 | 0 | 110.5 | K316 L317 V318 L322 R323 D324 | K316-Q320 PolarHBondContact O-N 2.87Å; K316-Q320 VanDerWaalsContact O-N 3.1Å; L317-Q320 WeakPolarHBondContact O-CA 3.37Å; L317-Q320 WeakPolarHBondContact O-CB 3.47Å; L317-Q320 PolarHBondContact O-N 3.4Å; V318-Q320 VanDerWaalsContact C-N 3.28Å; V318-Q320 PolarHBondContact O-N 3.4Å; Q320-L322 VanDerWaalsContact C-N 3.25Å; Q320-L322 PolarHBondContact O-N 2.93Å; Q320-R323 WeakPolarHBondContact O-CB 3.35Å; Q320-R323 PolarHBondContact O-N 2.64Å; Q320-D324 PolarHBondContact O-N 3.47Å |
| 321 | E | 73.5 | Confident | 74.6 | Confident | 126 Ų | 126 | 110.7 Ų | 110.7 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -53.5 | -42.7 | 175 | -69.2 | 172.7 | 172.8 | 0 | 0 | 111.4 | L317 V318 R323 D324 L325 | L317-E321 WeakPolarHBondContact O-CG 3.33Å; L317-E321 PolarHBondContact O-N 3.22Å; V318-E321 PolarHBondContact O-N 3.37Å; E321-R323 PolarHBondContact O-N 3.12Å; E321-D324 PolarHBondContact O-N 2.95Å; E321-L325 VanDerWaalsContact O-CB 3.28Å; E321-L325 WeakPolarHBondContact O-CB 3.49Å; E321-L325 PolarHBondContact O-N 3.1Å |
| 322 | L | 74.1 | Confident | 74.7 | Confident | 95 Ų | 95 | 109.6 Ų | 109.6 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -36.7 | 174.8 | -88.7 | 167 | 0 | 0 | 0 | 113.6 | V318 Q320 T326 | V318-L322 HydrophobicContact CG1-CD1 4.21Å; V318-L322 WeakPolarHBondContact O-CB 3.45Å; V318-L322 PolarHBondContact O-N 2.87Å; Q320-L322 VanDerWaalsContact C-N 3.25Å; Q320-L322 PolarHBondContact O-N 2.93Å; L322-T326 WeakPolarHBondContact O-CB 3.33Å; L322-T326 PolarHBondContact O-N 3.25Å; L322-T326 PolarHBondContact O-OG1 3.25Å |
| 323 | R | 76.2 | Confident | 74.6 | Confident | 161 Ų | 161 | 105.4 Ų | 105.4 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.4 | -46.3 | 177.6 | -72.5 | 164.9 | -153.2 | -121.6 | -1.7 | 110.5 | D319 Q320 E321 L325 T326 V327 | D319-R323 WeakPolarHBondContact O-CD 3.48Å; D319-R323 WeakPolarHBondContact O-CG 3.36Å; D319-R323 PolarHBondContact O-NE 2.91Å; Q320-R323 WeakPolarHBondContact O-CB 3.35Å; Q320-R323 PolarHBondContact O-N 2.64Å; E321-R323 PolarHBondContact O-N 3.12Å; R323-L325 VanDerWaalsContact C-N 3.33Å; R323-L325 PolarHBondContact O-N 3.47Å; R323-T326 WeakPolarHBondContact O-CB 3.47Å; R323-T326 PolarHBondContact O-N 2.95Å; R323-T326 VanDerWaalsContact O-N 3.12Å; R323-V327 WeakPolarHBondContact O-CG2 3.4Å; R323-V327 PolarHBondContact O-N 3.08Å |
| 324 | D | 75.1 | Confident | 74.3 | Confident | 105 Ų | 105 | 108.3 Ų | 108.3 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.1 | -44.4 | 179.8 | -63.6 | -20.4 | 0 | 0 | 0 | 110 | Q320 E321 T326 V327 E328 | Q320-D324 PolarHBondContact O-N 3.47Å; E321-D324 PolarHBondContact O-N 2.95Å; D324-T326 VanDerWaalsContact C-N 3.31Å; D324-T326 PolarHBondContact O-N 2.99Å; D324-V327 PolarHBondContact O-N 3.14Å; D324-E328 PolarHBondContact O-N 3.08Å |
| 325 | L | 75.4 | Confident | 74.1 | Confident | 113 Ų | 113 | 105.5 Ų | 105.5 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.5 | -30.8 | 174.8 | -148.5 | 79.2 | 0 | 0 | 0 | 113.2 | E321 R323 H329 | E321-L325 VanDerWaalsContact O-CB 3.28Å; E321-L325 WeakPolarHBondContact O-CB 3.49Å; E321-L325 PolarHBondContact O-N 3.1Å; R323-L325 VanDerWaalsContact C-N 3.33Å; R323-L325 PolarHBondContact O-N 3.47Å; L325-H329 WeakPolarHBondContact O-CB 3.2Å; L325-H329 PolarHBondContact O-N 3.35Å |
| 326 | T | 74.3 | Confident | 73.7 | Confident | 72 Ų | 72 | 106 Ų | 106 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.3 | -41.1 | 174.7 | -57.4 | 0 | 0 | 0 | 0 | 111 | L322 R323 D324 H329 E330 | L322-T326 WeakPolarHBondContact O-CB 3.33Å; L322-T326 PolarHBondContact O-N 3.25Å; L322-T326 PolarHBondContact O-OG1 3.25Å; R323-T326 WeakPolarHBondContact O-CB 3.47Å; R323-T326 PolarHBondContact O-N 2.95Å; R323-T326 VanDerWaalsContact O-N 3.12Å; D324-T326 VanDerWaalsContact C-N 3.31Å; D324-T326 PolarHBondContact O-N 2.99Å; T326-H329 PolarHBondContact O-N 2.72Å; T326-E330 WeakPolarHBondContact O-CG 3.45Å; T326-E330 PolarHBondContact O-N 3.25Å |
| 327 | V | 79.6 | Confident | 73.2 | Confident | 79 Ų | 79 | 104 Ų | 104 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 174.8 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | R323 D324 H329 E330 L331 | R323-V327 WeakPolarHBondContact O-CG2 3.4Å; R323-V327 PolarHBondContact O-N 3.08Å; D324-V327 PolarHBondContact O-N 3.14Å; V327-H329 VanDerWaalsContact C-N 3.33Å; V327-H329 PolarHBondContact O-N 3.48Å; V327-E330 PolarHBondContact O-N 3.44Å; V327-L331 HydrophobicContact CG1-CD1 4.03Å; V327-L331 WeakPolarHBondContact O-CB 3.48Å; V327-L331 WeakPolarHBondContact O-CG 3.33Å; V327-L331 PolarHBondContact O-N 3.5Å |
| 328 | E | 73.5 | Confident | 72.7 | Confident | 127 Ų | 127 | 105.5 Ų | 105.5 | 59% | 0.593 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.8 | -43.3 | 171.7 | -73.3 | -168.2 | 163.6 | 0 | 0 | 111.6 | D324 L331 L332 | D324-E328 PolarHBondContact O-N 3.08Å; E328-L331 PolarHBondContact O-N 3.5Å; E328-L332 WeakPolarHBondContact O-CB 3.32Å; E328-L332 PolarHBondContact O-N 3Å |
| 329 | H | 75.1 | Confident | 72.4 | Confident | 113 Ų | 113 | 105.9 Ų | 105.9 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 177.8 | -170 | 65.3 | 0 | 0 | 0 | 112.9 | L325 T326 V327 L332 L333 | L325-H329 WeakPolarHBondContact O-CB 3.2Å; L325-H329 PolarHBondContact O-N 3.35Å; T326-H329 PolarHBondContact O-N 2.72Å; V327-H329 VanDerWaalsContact C-N 3.33Å; V327-H329 PolarHBondContact O-N 3.48Å; H329-L332 PolarHBondContact O-N 3.02Å; H329-L333 WeakPolarHBondContact O-CB 3.28Å; H329-L333 WeakPolarHBondContact O-CG 3.49Å; H329-L333 PolarHBondContact O-N 3.42Å |
| 330 | E | 75.3 | Confident | 71.8 | Confident | 112 Ų | 112 | 106.7 Ų | 106.7 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 175.3 | -75.1 | -175.1 | 168 | 0 | 0 | 112.1 | T326 V327 L333 Q334 | T326-E330 WeakPolarHBondContact O-CG 3.45Å; T326-E330 PolarHBondContact O-N 3.25Å; V327-E330 PolarHBondContact O-N 3.44Å; E330-L333 PolarHBondContact O-N 3.29Å; E330-Q334 WeakPolarHBondContact O-CG 3.19Å; E330-Q334 PolarHBondContact O-N 3.06Å |
| 331 | L | 76.2 | Confident | 70.9 | Confident | 108 Ų | 108 | 107.6 Ų | 107.6 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 173.7 | -74.4 | 167.9 | 0 | 0 | 0 | 111.8 | V327 E328 Q334 A335 | V327-L331 HydrophobicContact CG1-CD1 4.03Å; V327-L331 WeakPolarHBondContact O-CB 3.48Å; V327-L331 WeakPolarHBondContact O-CG 3.33Å; V327-L331 PolarHBondContact O-N 3.5Å; E328-L331 PolarHBondContact O-N 3.5Å; L331-Q334 PolarHBondContact O-N 2.99Å; L331-A335 PolarHBondContact O-N 3.4Å |
| 332 | L | 74.5 | Confident | 70.4 | Confident | 128 Ų | 128 | 107.6 Ų | 107.6 | 67% | 0.67 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.9 | -38.6 | 176.7 | -140.2 | 78 | 0 | 0 | 0 | 111.8 | E328 H329 A335 F336 | E328-L332 WeakPolarHBondContact O-CB 3.32Å; E328-L332 PolarHBondContact O-N 3Å; H329-L332 PolarHBondContact O-N 3.02Å; L332-A335 PolarHBondContact O-N 3.24Å; L332-F336 WeakPolarHBondContact O-CB 3.4Å; L332-F336 PolarHBondContact O-N 3.49Å |
| 333 | L | 73.2 | Confident | 69.8 | Low | 75 Ų | 75 | 109.3 Ų | 109.3 | 39% | 0.393 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 174.4 | -80.3 | 170 | 0 | 0 | 0 | 112.2 | H329 E330 F336 Q337 | H329-L333 WeakPolarHBondContact O-CB 3.28Å; H329-L333 WeakPolarHBondContact O-CG 3.49Å; H329-L333 PolarHBondContact O-N 3.42Å; E330-L333 PolarHBondContact O-N 3.29Å; L333-F336 PolarHBondContact O-N 2.87Å; L333-Q337 WeakPolarHBondContact O-CB 3.3Å; L333-Q337 WeakPolarHBondContact O-CG 3.34Å; L333-Q337 PolarHBondContact O-N 3.31Å |
| 334 | Q | 68.1 | Low | 69.4 | Low | 117 Ų | 117 | 107.9 Ų | 107.9 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 174.8 | -72.4 | 178.6 | 19.7 | 0 | 0 | 112 | E330 L331 K338 | E330-Q334 WeakPolarHBondContact O-CG 3.19Å; E330-Q334 PolarHBondContact O-N 3.06Å; L331-Q334 PolarHBondContact O-N 2.99Å; Q334-K338 PolarHBondContact O-N 3.28Å |
| 335 | A | 66.3 | Low | 68.9 | Low | 55 Ų | 55 | 106.2 Ų | 106.2 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L331 L332 Q337 K338 V339 | L331-A335 PolarHBondContact O-N 3.4Å; L332-A335 PolarHBondContact O-N 3.24Å; A335-Q337 PolarHBondContact O-N 2.88Å; A335-K338 PolarHBondContact O-N 2.99Å; A335-V339 PolarHBondContact O-N 3.39Å |
| 336 | F | 63.6 | Low | 68.6 | Low | 131 Ų | 131 | 105.7 Ų | 105.7 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -38.2 | 178.1 | -167.2 | -99 | 0 | 0 | 0 | 112.5 | L332 L333 M340 | L332-F336 WeakPolarHBondContact O-CB 3.4Å; L332-F336 PolarHBondContact O-N 3.49Å; L333-F336 PolarHBondContact O-N 2.87Å; F336-M340 HydrophobicContact CD1-CG 3.93Å; F336-M340 HydrophobicContact CE1-CG 3.61Å; F336-M340 HydrophobicContact CE1-SD 4.38Å; F336-M340 HydrophobicContact CE2-CG 4.48Å; F336-M340 HydrophobicContact CG-CG 4.49Å; F336-M340 HydrophobicContact CZ-CG 3.91Å; F336-M340 HydrophobicContact CZ-SD 4.26Å; F336-M340 VanDerWaalsContact O-CB 3.3Å; F336-M340 WeakPolarHBondContact O-CB 3.39Å; F336-M340 WeakPolarHBondContact O-CG 3.48Å; F336-M340 PolarHBondContact O-N 3.4Å |
| 337 | Q | 64.5 | Low | 68.4 | Low | 107 Ų | 107 | 108.1 Ų | 108.1 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.2 | -78.4 | 176.8 | -4.5 | 0 | 0 | 112.5 | L333 A335 M340 Q341 | L333-Q337 WeakPolarHBondContact O-CB 3.3Å; L333-Q337 WeakPolarHBondContact O-CG 3.34Å; L333-Q337 PolarHBondContact O-N 3.31Å; A335-Q337 PolarHBondContact O-N 2.88Å; Q337-M340 PolarHBondContact O-N 3.37Å; Q337-Q341 WeakPolarHBondContact O-CB 3.46Å; Q337-Q341 WeakPolarHBondContact O-CG 3.45Å; Q337-Q341 PolarHBondContact O-N 3.4Å |
| 338 | K | 65.6 | Low | 68 | Low | 137 Ų | 137 | 107.6 Ų | 107.6 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.6 | -50.9 | 175.5 | -75.6 | -175.7 | 173.2 | -176 | 0 | 112.3 | Q334 A335 M340 Q341 E342 | Q334-K338 PolarHBondContact O-N 3.28Å; A335-K338 PolarHBondContact O-N 2.99Å; K338-M340 VanDerWaalsContact C-N 3.32Å; K338-M340 PolarHBondContact O-N 2.88Å; K338-Q341 PolarHBondContact O-N 3.36Å; K338-E342 WeakPolarHBondContact O-CB 3.49Å; K338-E342 PolarHBondContact O-N 2.89Å |
| 339 | V | 65.7 | Low | 67.9 | Low | 81 Ų | 81 | 110.5 Ų | 110.5 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | I | π-helix | trans | -61.6 | -40.3 | 179.4 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | A335 | A335-V339 PolarHBondContact O-N 3.39Å |
| 340 | M | 59.9 | Low | 67.8 | Low | 82 Ų | 82 | 111.9 Ų | 111.9 | 40% | 0.404 | 53% | 0.531 | S | S | . | . | I | π-helix | trans | -74.2 | -32 | -178.4 | -78.5 | -70.6 | -72.3 | 0 | 0 | 114.7 | F336 Q337 K338 | F336-M340 HydrophobicContact CD1-CG 3.93Å; F336-M340 HydrophobicContact CE1-CG 3.61Å; F336-M340 HydrophobicContact CE1-SD 4.38Å; F336-M340 HydrophobicContact CE2-CG 4.48Å; F336-M340 HydrophobicContact CG-CG 4.49Å; F336-M340 HydrophobicContact CZ-CG 3.91Å; F336-M340 HydrophobicContact CZ-SD 4.26Å; F336-M340 VanDerWaalsContact O-CB 3.3Å; F336-M340 WeakPolarHBondContact O-CB 3.39Å; F336-M340 WeakPolarHBondContact O-CG 3.48Å; F336-M340 PolarHBondContact O-N 3.4Å; Q337-M340 PolarHBondContact O-N 3.37Å; K338-M340 VanDerWaalsContact C-N 3.32Å; K338-M340 PolarHBondContact O-N 2.88Å |
| 341 | Q | 59.9 | Low | 67.5 | Low | 135 Ų | 135 | 112.3 Ų | 112.3 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | I | π-helix | trans | -99.7 | -37 | -173.2 | -68.3 | -175.4 | -15.3 | 0 | 0 | 114 | Q337 K338 | Q337-Q341 WeakPolarHBondContact O-CB 3.46Å; Q337-Q341 WeakPolarHBondContact O-CG 3.45Å; Q337-Q341 PolarHBondContact O-N 3.4Å; K338-Q341 PolarHBondContact O-N 3.36Å |
| 342 | E | 61.8 | Low | 67.4 | Low | 127 Ų | 127 | 111 Ų | 111 | 59% | 0.593 | 53% | 0.529 | S | S | * | . | I | π-helix | trans | -89.9 | -51.9 | -174.6 | -62.5 | -179.6 | 150.7 | 0 | 0 | 111 | K338 E346 | K338-E342 WeakPolarHBondContact O-CB 3.49Å; K338-E342 PolarHBondContact O-N 2.89Å; E342-E346 WeakPolarHBondContact O-CG 3.34Å |
| 343 | E | 62.3 | Low | 67.2 | Low | 131 Ų | 131 | 111.1 Ų | 111.1 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | I | π-helix | trans | -79.1 | -42.8 | -171.7 | -59.4 | -171.6 | 151.9 | 0 | 0 | 113.3 | L347 | E343-L347 PolarHBondContact O-N 3.38Å |
| 344 | R | 67.1 | Low | 67 | Low | 131 Ų | 131 | 111.3 Ų | 111.3 | 49% | 0.494 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69 | -47.2 | -176.6 | -176.6 | -168.4 | 155.3 | -119.4 | -8.8 | 112.9 | L347 L348 | R344-L347 PolarHBondContact O-N 3.48Å; R344-L348 HydrophobicContact CG-CD1 4.11Å; R344-L348 PolarHBondContact O-N 2.94Å |
| 345 | D | 65.2 | Low | 67.1 | Low | 70 Ų | 70 | 110 Ų | 110 | 37% | 0.374 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -76.2 | -27.4 | -172.9 | -76 | -5.8 | 0 | 0 | 0 | 112.2 | R349 | D345-R349 PolarHBondContact O-N 2.9Å |
| 346 | E | 69.7 | Low | 67.4 | Low | 102 Ų | 102 | 111.7 Ų | 111.7 | 48% | 0.477 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 165.1 | -80.9 | -150.2 | 145 | 0 | 0 | 112.4 | E342 L348 R349 R350 | E342-E346 WeakPolarHBondContact O-CG 3.34Å; E346-L348 VanDerWaalsContact C-N 3.35Å; E346-L348 PolarHBondContact O-N 2.93Å; E346-R349 PolarHBondContact O-N 3Å; E346-R350 VanDerWaalsContact CD-NH2 3.29Å; E346-R350 WeakPolarHBondContact O-CG 3.44Å; E346-R350 PolarHBondContact O-N 2.97Å; E346-R350 IonicContact OE1-NH2 3.04Å; E346-R350 PolarHBondContact OE1-NH2 3.4Å; E346-R350 IonicContact OE2-CZ 3.61Å; E346-R350 VanDerWaalsContact OE2-CZ 3.24Å; E346-R350 IonicContact OE2-NH1 2.66Å; E346-R350 PolarHBondContact OE2-NH1 3.36Å; E346-R350 IonicContact OE2-NH2 2.69Å; E346-R350 PolarHBondContact OE2-NH2 2.92Å |
| 347 | L | 70.5 | Confident | 67.6 | Low | 122 Ų | 122 | 110.6 Ų | 110.6 | 64% | 0.639 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -44.3 | 179.4 | -133.1 | 88.9 | 0 | 0 | 0 | 111.2 | E343 R344 R350 Q351 | E343-L347 PolarHBondContact O-N 3.38Å; R344-L347 PolarHBondContact O-N 3.48Å; L347-R350 PolarHBondContact O-N 3.46Å; L347-Q351 PolarHBondContact O-N 3.39Å |
| 348 | L | 69.5 | Low | 67.9 | Low | 68 Ų | 68 | 110.2 Ų | 110.2 | 36% | 0.356 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 176.5 | -79.5 | 166.9 | 0 | 0 | 0 | 112.2 | R344 E346 Q351 T352 | R344-L348 HydrophobicContact CG-CD1 4.11Å; R344-L348 PolarHBondContact O-N 2.94Å; E346-L348 VanDerWaalsContact C-N 3.35Å; E346-L348 PolarHBondContact O-N 2.93Å; L348-Q351 PolarHBondContact O-N 3.46Å; L348-T352 WeakPolarHBondContact O-CB 3.37Å; L348-T352 PolarHBondContact O-N 2.97Å; L348-T352 PolarHBondContact O-OG1 3Å |
| 349 | R | 73.1 | Confident | 67.8 | Low | 188 Ų | 188 | 109.3 Ų | 109.3 | 71% | 0.709 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.3 | -50.3 | 173 | -97.7 | -173.5 | 166.5 | 114.4 | -3.7 | 112.1 | D345 E346 Q351 T352 Q353 | D345-R349 PolarHBondContact O-N 2.9Å; E346-R349 PolarHBondContact O-N 3Å; R349-Q351 VanDerWaalsContact C-N 3.34Å; R349-Q351 PolarHBondContact O-N 3.26Å; R349-T352 PolarHBondContact O-N 2.99Å; R349-Q353 PolarHBondContact O-N 3.12Å; R349-Q353 VanDerWaalsContact O-N 3.08Å |
| 350 | R | 72 | Confident | 68 | Low | 143 Ų | 143 | 112 Ų | 112 | 54% | 0.54 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | -179.4 | -70.3 | 176 | -177 | 126.7 | 12.4 | 111.7 | E346 L347 S354 | E346-R350 VanDerWaalsContact CD-NH2 3.29Å; E346-R350 WeakPolarHBondContact O-CG 3.44Å; E346-R350 PolarHBondContact O-N 2.97Å; E346-R350 IonicContact OE1-NH2 3.04Å; E346-R350 PolarHBondContact OE1-NH2 3.4Å; E346-R350 IonicContact OE2-CZ 3.61Å; E346-R350 VanDerWaalsContact OE2-CZ 3.24Å; E346-R350 IonicContact OE2-NH1 2.66Å; E346-R350 PolarHBondContact OE2-NH1 3.36Å; E346-R350 IonicContact OE2-NH2 2.69Å; E346-R350 PolarHBondContact OE2-NH2 2.92Å; L347-R350 PolarHBondContact O-N 3.46Å; R350-S354 PolarHBondContact O-N 3.44Å |
| 351 | Q | 68.4 | Low | 68.2 | Low | 120 Ų | 120 | 118.1 Ų | 118.1 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.8 | -41.7 | 176.9 | -165.9 | 177.7 | 37.2 | 0 | 0 | 112.1 | L347 L348 R349 Q353 S354 I355 | L347-Q351 PolarHBondContact O-N 3.39Å; L348-Q351 PolarHBondContact O-N 3.46Å; R349-Q351 VanDerWaalsContact C-N 3.34Å; R349-Q351 PolarHBondContact O-N 3.26Å; Q351-Q353 PolarHBondContact O-N 3.45Å; Q351-S354 PolarHBondContact O-N 3.41Å; Q351-I355 HydrophobicContact CG-CD1 4.23Å; Q351-I355 WeakPolarHBondContact O-CG1 3.47Å; Q351-I355 PolarHBondContact O-N 3.24Å |
| 352 | T | 73.8 | Confident | 68.3 | Low | 80 Ų | 80 | 115.1 Ų | 115.1 | 49% | 0.491 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.9 | -40.5 | -179.5 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | L348 R349 I355 L356 | L348-T352 WeakPolarHBondContact O-CB 3.37Å; L348-T352 PolarHBondContact O-N 2.97Å; L348-T352 PolarHBondContact O-OG1 3Å; R349-T352 PolarHBondContact O-N 2.99Å; T352-I355 PolarHBondContact O-N 3.4Å; T352-L356 PolarHBondContact O-N 3.28Å |
| 353 | Q | 71.2 | Confident | 68.4 | Low | 132 Ų | 132 | 110.6 Ų | 110.6 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.8 | -45.1 | 174.7 | -77 | 177.6 | -48.4 | 0 | 0 | 112.2 | R349 Q351 I355 L356 D357 | R349-Q353 PolarHBondContact O-N 3.12Å; R349-Q353 VanDerWaalsContact O-N 3.08Å; Q351-Q353 PolarHBondContact O-N 3.45Å; Q353-I355 VanDerWaalsContact C-N 3.3Å; Q353-I355 PolarHBondContact O-N 2.89Å; Q353-L356 PolarHBondContact O-N 3.36Å; Q353-D357 PolarHBondContact O-N 2.96Å |
| 354 | S | 69.2 | Low | 68.6 | Low | 78 Ų | 78 | 110.7 Ų | 110.7 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -36.1 | 179.9 | -171.8 | 0 | 0 | 0 | 0 | 113.2 | R350 Q351 V358 | R350-S354 PolarHBondContact O-N 3.44Å; Q351-S354 PolarHBondContact O-N 3.41Å; S354-V358 WeakPolarHBondContact O-CG2 3.45Å; S354-V358 PolarHBondContact O-N 3.18Å |
| 355 | I | 69.9 | Low | 68.5 | Low | 90 Ų | 90 | 112.2 Ų | 112.2 | 46% | 0.462 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.4 | -38.9 | 177.8 | -68.5 | 167.8 | 0 | 0 | 0 | 111.8 | Q351 T352 Q353 V358 Q359 | Q351-I355 HydrophobicContact CG-CD1 4.23Å; Q351-I355 WeakPolarHBondContact O-CG1 3.47Å; Q351-I355 PolarHBondContact O-N 3.24Å; T352-I355 PolarHBondContact O-N 3.4Å; Q353-I355 VanDerWaalsContact C-N 3.3Å; Q353-I355 PolarHBondContact O-N 2.89Å; I355-V358 PolarHBondContact O-N 3.2Å; I355-Q359 WeakPolarHBondContact O-CG 3.42Å; I355-Q359 PolarHBondContact O-N 3.44Å; I355-Q359 VanDerWaalsContact O-N 3.09Å |
| 356 | L | 72.5 | Confident | 68.5 | Low | 90 Ų | 90 | 115.8 Ų | 115.8 | 47% | 0.471 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.8 | -41.8 | -179.5 | -76 | 164.6 | 0 | 0 | 0 | 112.3 | T352 Q353 V358 Q359 Q360 | T352-L356 PolarHBondContact O-N 3.28Å; Q353-L356 PolarHBondContact O-N 3.36Å; L356-V358 VanDerWaalsContact C-N 3.35Å; L356-V358 PolarHBondContact O-N 2.8Å; L356-Q359 PolarHBondContact O-N 3.28Å; L356-Q360 PolarHBondContact O-N 3.16Å |
| 357 | D | 69 | Low | 68.4 | Low | 108 Ų | 108 | 116.1 Ų | 116.1 | 58% | 0.578 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.8 | -39.4 | 177.6 | -81.5 | -7.5 | 0 | 0 | 0 | 112.6 | Q353 R361 | Q353-D357 PolarHBondContact O-N 2.96Å; D357-R361 PolarHBondContact O-N 3.33Å |
| 358 | V | 70.6 | Confident | 68 | Low | 100 Ų | 100 | 116 Ų | 116 | 61% | 0.606 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.2 | -39.8 | 175.9 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | S354 I355 L356 R361 S362 | S354-V358 WeakPolarHBondContact O-CG2 3.45Å; S354-V358 PolarHBondContact O-N 3.18Å; I355-V358 PolarHBondContact O-N 3.2Å; L356-V358 VanDerWaalsContact C-N 3.35Å; L356-V358 PolarHBondContact O-N 2.8Å; V358-R361 PolarHBondContact O-N 3.41Å; V358-S362 PolarHBondContact O-N 3.22Å |
| 359 | Q | 63.4 | Low | 67.9 | Low | 117 Ų | 117 | 118.2 Ų | 118.2 | 55% | 0.547 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64 | -43.7 | 177.4 | -75.6 | -174.3 | -3.3 | 0 | 0 | 112.2 | I355 L356 R361 S362 G363 | I355-Q359 WeakPolarHBondContact O-CG 3.42Å; I355-Q359 PolarHBondContact O-N 3.44Å; I355-Q359 VanDerWaalsContact O-N 3.09Å; L356-Q359 PolarHBondContact O-N 3.28Å; Q359-R361 PolarHBondContact O-N 3.38Å; Q359-S362 PolarHBondContact O-N 3.39Å; Q359-S362 PolarHBondContact O-OG 3.15Å; Q359-G363 PolarHBondContact O-N 3.09Å |
| 360 | Q | 68.6 | Low | 67.3 | Low | 139 Ų | 139 | 114.7 Ų | 114.7 | 65% | 0.65 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.8 | -43.9 | 178.3 | -72 | -170.1 | 6.8 | 0 | 0 | 112.4 | L356 S362 G363 L364 | L356-Q360 PolarHBondContact O-N 3.16Å; Q360-S362 VanDerWaalsContact C-N 3.27Å; Q360-S362 PolarHBondContact O-N 2.95Å; Q360-G363 PolarHBondContact O-N 3.39Å; Q360-L364 PolarHBondContact O-N 3.5Å |
| 361 | R | 64.9 | Low | 67.1 | Low | 210 Ų | 210 | 117.6 Ų | 117.6 | 79% | 0.792 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.9 | -32.7 | 174.4 | -81.1 | -178.4 | 162.4 | -178.6 | -3.8 | 113.1 | D357 V358 Q359 | D357-R361 PolarHBondContact O-N 3.33Å; V358-R361 PolarHBondContact O-N 3.41Å; Q359-R361 PolarHBondContact O-N 3.38Å |
| 362 | S | 61.3 | Low | 66.7 | Low | 72 Ų | 72 | 118.9 Ų | 118.9 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -73.6 | -38.5 | 176.9 | 82.1 | 0 | 0 | 0 | 0 | 113.1 | V358 Q359 Q360 K365 K366 | V358-S362 PolarHBondContact O-N 3.22Å; Q359-S362 PolarHBondContact O-N 3.39Å; Q359-S362 PolarHBondContact O-OG 3.15Å; Q360-S362 VanDerWaalsContact C-N 3.27Å; Q360-S362 PolarHBondContact O-N 2.95Å; S362-K365 WeakPolarHBondContact O-CB 3.49Å; S362-K365 PolarHBondContact O-N 3.38Å; S362-K366 PolarHBondContact O-N 3.36Å |
| 363 | G | 63.6 | Low | 66.1 | Low | 31 Ų | 31 | 120.7 Ų | 120.7 | 32% | 0.32 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.8 | -45.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q359 Q360 K365 K366 I367 | Q359-G363 PolarHBondContact O-N 3.09Å; Q360-G363 PolarHBondContact O-N 3.39Å; G363-K365 PolarHBondContact O-N 3.13Å; G363-K366 PolarHBondContact O-N 3.14Å; G363-K366 VanDerWaalsContact O-N 3.08Å; G363-I367 PolarHBondContact O-N 3.34Å |
| 364 | L | 67.3 | Low | 65.7 | Low | 133 Ų | 133 | 120.3 Ų | 120.3 | 70% | 0.696 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -58.7 | -33.5 | 175.9 | -69.5 | 169.3 | 0 | 0 | 0 | 112.5 | Q360 | Q360-L364 PolarHBondContact O-N 3.5Å |
| 365 | K | 65.4 | Low | 65.4 | Low | 163 Ų | 163 | 119.5 Ų | 119.5 | 71% | 0.709 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.8 | -31.9 | 177.6 | -137.5 | 174.3 | -172.9 | 178.9 | 0 | 112.6 | S362 G363 | S362-K365 WeakPolarHBondContact O-CB 3.49Å; S362-K365 PolarHBondContact O-N 3.38Å; G363-K365 PolarHBondContact O-N 3.13Å |
| 366 | K | 64.1 | Low | 65 | Low | 146 Ų | 146 | 121.2 Ų | 121.2 | 64% | 0.635 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.3 | -42.6 | -179 | -164.8 | 176.5 | -176.8 | -179.1 | 0 | 112.6 | S362 G363 L368 L369 Q370 | S362-K366 PolarHBondContact O-N 3.36Å; G363-K366 PolarHBondContact O-N 3.14Å; G363-K366 VanDerWaalsContact O-N 3.08Å; K366-L368 VanDerWaalsContact C-N 3.27Å; K366-L368 PolarHBondContact O-N 3.25Å; K366-L369 PolarHBondContact O-N 3.08Å; K366-L369 VanDerWaalsContact O-N 3.14Å; K366-Q370 PolarHBondContact O-N 3.25Å; K366-Q370 VanDerWaalsContact O-N 3.13Å |
| 367 | I | 68.1 | Low | 64.4 | Low | 108 Ų | 108 | 119.6 Ų | 119.6 | 55% | 0.554 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -59.7 | -39.3 | 177.8 | -66.3 | 169.5 | 0 | 0 | 0 | 111.1 | G363 L369 Q370 R371 | G363-I367 PolarHBondContact O-N 3.34Å; I367-L369 VanDerWaalsContact C-N 3.27Å; I367-L369 PolarHBondContact O-N 3.19Å; I367-Q370 PolarHBondContact O-N 3.19Å; I367-R371 PolarHBondContact O-N 3.32Å |
| 368 | L | 62.9 | Low | 64 | Low | 121 Ų | 121 | 120.7 Ų | 120.7 | 63% | 0.634 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.3 | -24 | -179.3 | -155.5 | 143.1 | 0 | 0 | 0 | 112.9 | K366 | K366-L368 VanDerWaalsContact C-N 3.27Å; K366-L368 PolarHBondContact O-N 3.25Å |
| 369 | L | 66.6 | Low | 63.6 | Low | 114 Ų | 114 | 120.4 Ų | 120.4 | 60% | 0.597 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -83.5 | -37.8 | 174 | -72.4 | 168 | 0 | 0 | 0 | 112.7 | K366 I367 R371 K372 L373 | K366-L369 PolarHBondContact O-N 3.08Å; K366-L369 VanDerWaalsContact O-N 3.14Å; I367-L369 VanDerWaalsContact C-N 3.27Å; I367-L369 PolarHBondContact O-N 3.19Å; L369-R371 PolarHBondContact O-N 3.01Å; L369-K372 PolarHBondContact O-N 3.35Å; L369-K372 VanDerWaalsContact O-N 3.09Å; L369-L373 PolarHBondContact O-N 3.07Å |
| 370 | Q | 61.3 | Low | 63.5 | Low | 114 Ų | 114 | 120.1 Ų | 120.1 | 53% | 0.533 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -58 | -44.8 | 178.9 | -78.9 | 177.1 | -79.9 | 0 | 0 | 112.4 | K366 I367 K372 L373 E374 | K366-Q370 PolarHBondContact O-N 3.25Å; K366-Q370 VanDerWaalsContact O-N 3.13Å; I367-Q370 PolarHBondContact O-N 3.19Å; Q370-K372 PolarHBondContact O-N 3.41Å; Q370-K372 VanDerWaalsContact O-N 3.15Å; Q370-L373 PolarHBondContact O-N 3.17Å; Q370-E374 PolarHBondContact O-N 3.42Å |
| 371 | R | 66.8 | Low | 63 | Low | 203 Ų | 203 | 119.7 Ų | 119.7 | 77% | 0.766 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.2 | -23.6 | 176.6 | -88.5 | -176.5 | 164.7 | 179.5 | -4.5 | 114.8 | I367 L369 | I367-R371 PolarHBondContact O-N 3.32Å; L369-R371 PolarHBondContact O-N 3.01Å |
| 372 | K | 59.8 | Low | 62.8 | Low | 147 Ų | 147 | 117.5 Ų | 117.5 | 64% | 0.639 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -81.5 | -23.7 | 174.2 | -75.7 | -171 | 172.5 | -173.6 | 0 | 112.9 | L369 Q370 | L369-K372 PolarHBondContact O-N 3.35Å; L369-K372 VanDerWaalsContact O-N 3.09Å; Q370-K372 PolarHBondContact O-N 3.41Å; Q370-K372 VanDerWaalsContact O-N 3.15Å |
| 373 | L | 62.8 | Low | 62.7 | Low | 118 Ų | 118 | 121 Ų | 121 | 62% | 0.618 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -86.9 | -39.4 | -173.3 | -146.7 | 152.4 | 0 | 0 | 0 | 111.1 | L369 Q370 A375 L376 S377 | L369-L373 PolarHBondContact O-N 3.07Å; Q370-L373 PolarHBondContact O-N 3.17Å; L373-A375 VanDerWaalsContact C-N 3.3Å; L373-A375 PolarHBondContact O-N 2.75Å; L373-L376 PolarHBondContact O-N 3.03Å; L373-L376 VanDerWaalsContact O-N 3.16Å; L373-S377 PolarHBondContact O-N 3.48Å; L373-S377 PolarHBondContact O-OG 3.44Å |
| 374 | E | 62 | Low | 62.4 | Low | 124 Ų | 124 | 125.1 Ų | 125.1 | 58% | 0.579 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -57.4 | -39.8 | 174.7 | -70 | 173.1 | 135.3 | 0 | 0 | 112.8 | Q370 L376 S377 | Q370-E374 PolarHBondContact O-N 3.42Å; E374-L376 VanDerWaalsContact C-N 3.31Å; E374-L376 PolarHBondContact O-N 3.22Å; E374-S377 PolarHBondContact O-N 3.42Å |
| 375 | A | 63.6 | Low | 61.9 | Low | 62 Ų | 62 | 122.3 Ų | 122.3 | 51% | 0.512 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.1 | -29.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L373 | L373-A375 VanDerWaalsContact C-N 3.3Å; L373-A375 PolarHBondContact O-N 2.75Å |
| 376 | L | 61.2 | Low | 61.5 | Low | 125 Ų | 125 | 121.3 Ų | 121.3 | 65% | 0.654 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -82.6 | -29.9 | -179.8 | -73.4 | 168.5 | 0 | 0 | 0 | 112.6 | L373 E374 T379 | L373-L376 PolarHBondContact O-N 3.03Å; L373-L376 VanDerWaalsContact O-N 3.16Å; E374-L376 VanDerWaalsContact C-N 3.31Å; E374-L376 PolarHBondContact O-N 3.22Å; L376-T379 PolarHBondContact O-OG1 3.09Å |
| 377 | S | 59.3 | Low | 61.1 | Low | 56 Ų | 56 | 120.1 Ų | 120.1 | 39% | 0.392 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67 | -42.4 | 177.2 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | L373 E374 T379 L380 E381 | L373-S377 PolarHBondContact O-N 3.48Å; L373-S377 PolarHBondContact O-OG 3.44Å; E374-S377 PolarHBondContact O-N 3.42Å; S377-T379 PolarHBondContact O-N 3.32Å; S377-L380 WeakPolarHBondContact O-CB 3.42Å; S377-L380 PolarHBondContact O-N 3.48Å; S377-E381 PolarHBondContact O-N 3.35Å |
| 378 | Q | 61.1 | Low | 60.3 | Low | 132 Ų | 132 | 119.5 Ų | 119.5 | 62% | 0.617 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.7 | -23.5 | -179 | -67.3 | -179.4 | 0.3 | 0 | 0 | 114 | ||
| 379 | T | 61.1 | Low | 60 | Low | 94 Ų | 94 | 117.4 Ų | 117.4 | 58% | 0.577 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -79.5 | -21.5 | 173.1 | 36.2 | 0 | 0 | 0 | 0 | 113.9 | L376 S377 | L376-T379 PolarHBondContact O-OG1 3.09Å; S377-T379 PolarHBondContact O-N 3.32Å |
| 380 | L | 61.5 | Low | 59.3 | Low | 110 Ų | 110 | 115.7 Ų | 115.7 | 58% | 0.576 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -79.2 | -48.6 | 179 | -161.4 | 82.9 | 0 | 0 | 0 | 111.2 | S377 K382 K383 E384 | S377-L380 WeakPolarHBondContact O-CB 3.42Å; S377-L380 PolarHBondContact O-N 3.48Å; L380-K382 VanDerWaalsContact C-N 3.26Å; L380-K382 PolarHBondContact O-N 3.33Å; L380-K383 WeakPolarHBondContact O-CB 3.44Å; L380-K383 PolarHBondContact O-N 3.19Å; L380-E384 PolarHBondContact O-N 3.34Å |
| 381 | E | 58.9 | Low | 58.9 | Low | 130 Ų | 130 | 116.5 Ų | 116.5 | 61% | 0.607 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -57.8 | -37 | -176 | -65.6 | 175.1 | 152.7 | 0 | 0 | 112.6 | S377 K383 E384 A385 | S377-E381 PolarHBondContact O-N 3.35Å; E381-K383 PolarHBondContact O-N 3.22Å; E381-E384 PolarHBondContact O-N 3.25Å; E381-A385 PolarHBondContact O-N 3.35Å |
| 382 | K | 59.4 | Low | 58.3 | Low | 165 Ų | 165 | 112 Ų | 112 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.2 | -17.8 | 176 | -75.2 | -176.7 | 177.4 | 175.8 | 0 | 114.2 | L380 | L380-K382 VanDerWaalsContact C-N 3.26Å; L380-K382 PolarHBondContact O-N 3.33Å |
| 383 | K | 59.4 | Low | 57.9 | Low | 144 Ų | 144 | 111 Ų | 111 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -91.5 | -33 | 178.4 | -75 | -69 | -175.9 | -177.9 | 0 | 113 | L380 E381 | L380-K383 WeakPolarHBondContact O-CB 3.44Å; L380-K383 PolarHBondContact O-N 3.19Å; E381-K383 PolarHBondContact O-N 3.22Å |
| 384 | E | 57.9 | Low | 57.2 | Low | 119 Ų | 119 | 109.7 Ų | 109.7 | 56% | 0.556 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.2 | -38.9 | 178.8 | -66.4 | -175.5 | 140.7 | 0 | 0 | 112.2 | L380 E381 Q386 L387 | L380-E384 PolarHBondContact O-N 3.34Å; E381-E384 PolarHBondContact O-N 3.25Å; E384-Q386 PolarHBondContact O-N 2.99Å; E384-Q386 VanDerWaalsContact O-N 3.12Å; E384-L387 PolarHBondContact O-N 3.01Å |
| 385 | A | 57.7 | Low | 56.5 | Low | 74 Ų | 74 | 110.1 Ų | 110.1 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -26.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | E381 | E381-A385 PolarHBondContact O-N 3.35Š|
| 386 | Q | 56.1 | Low | 55.7 | Low | 142 Ų | 142 | 112.1 Ų | 112.1 | 66% | 0.664 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -18.3 | 177.8 | -66.4 | -174.2 | -32.5 | 0 | 0 | 113.4 | E384 | E384-Q386 PolarHBondContact O-N 2.99Å; E384-Q386 VanDerWaalsContact O-N 3.12Å |
| 387 | L | 55.3 | Low | 54.8 | Low | 121 Ų | 121 | 113.4 Ų | 113.4 | 63% | 0.634 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -38.3 | -179.4 | -92.3 | 159.2 | 0 | 0 | 0 | 112.7 | E384 A389 A390 | E384-L387 PolarHBondContact O-N 3.01Å; L387-A389 VanDerWaalsContact C-N 3.3Å; L387-A389 PolarHBondContact O-N 3.48Å; L387-A390 PolarHBondContact O-N 3.04Å |
| 388 | S | 51.9 | Low | 54.6 | Low | 94 Ų | 94 | 114.6 Ų | 114.6 | 66% | 0.657 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -28.2 | -172.9 | -55.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 389 | A | 55.6 | Low | 53.8 | Low | 78 Ų | 78 | 113.4 Ų | 113.4 | 65% | 0.645 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -31.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L387 L391 | L387-A389 VanDerWaalsContact C-N 3.3Å; L387-A389 PolarHBondContact O-N 3.48Å; A389-L391 VanDerWaalsContact C-N 3.34Å; A389-L391 PolarHBondContact O-N 3.27Å |
| 390 | A | 53.4 | Low | 53.1 | Low | 77 Ų | 77 | 113 Ų | 113 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -16.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L387 | L387-A390 PolarHBondContact O-N 3.04Š|
| 391 | L | 52.1 | Low | 52.8 | Low | 132 Ų | 132 | 116.1 Ų | 116.1 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -7.7 | -172.6 | -71 | 171.4 | 0 | 0 | 0 | 114.8 | A389 | A389-L391 VanDerWaalsContact C-N 3.34Å; A389-L391 PolarHBondContact O-N 3.27Å |
| 392 | S | 53.4 | Low | 52.3 | Low | 108 Ų | 108 | 112.9 Ų | 112.9 | 76% | 0.755 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -79.3 | -25.8 | -179.6 | -169 | 0 | 0 | 0 | 0 | 113.3 | C394 | S392-C394 PolarHBondContact O-N 2.69Š|
| 393 | V | 52.8 | Low | 51.9 | Low | 126 Ų | 126 | 110.4 Ų | 110.4 | 76% | 0.764 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -97.4 | 80.8 | 179.8 | -172.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 394 | C | 47.6 | Very low | 51.2 | Low | 91 Ų | 91 | 107.2 Ų | 107.2 | 62% | 0.615 | 65% | 0.654 | S | S | * | * | trans | -172.5 | 116.7 | 136.9 | -112.6 | 0 | 0 | 0 | 0 | 111.6 | S392 V396 | S392-C394 PolarHBondContact O-N 2.69Å; C394-V396 HydrophobicContact CB-CB 4.37Å; C394-V396 PolarHBondContact O-N 3.06Å | ||
| 395 | S | 47.5 | Very low | 50.6 | Low | 133 Ų | 133 | 104.8 Ų | 104.8 | 93% | 0.93 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -77.3 | 37.5 | 163.3 | 49.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 396 | V | 45.8 | Very low | 50.5 | Low | 103 Ų | 103 | 104.9 Ų | 104.9 | 62% | 0.624 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -140.1 | 162.5 | -169.4 | -171.1 | 0 | 0 | 0 | 0 | 109.8 | C394 | C394-V396 HydrophobicContact CB-CB 4.37Å; C394-V396 PolarHBondContact O-N 3.06Å |
| 397 | E | 42.6 | Very low | 50.1 | Low | 152 Ų | 152 | 106.2 Ų | 106.2 | 71% | 0.71 | 65% | 0.648 | S | S | * | * | trans | -54.8 | 159 | -145.4 | -83.8 | -145.8 | 133.8 | 0 | 0 | 121.8 | T399 | E397-T399 PolarHBondContact O-N 3.38Š| ||
| 398 | P | 54.8 | Low | 49.5 | Very low | 82 Ų | 82 | 106.4 Ų | 106.4 | 53% | 0.532 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -78 | -12.2 | -168.4 | -13.8 | 31.4 | 0 | 0 | 0 | 116.7 | ||
| 399 | T | 45.2 | Very low | 49.5 | Very low | 107 Ų | 107 | 107 Ų | 107 | 66% | 0.656 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -94.3 | -13 | -152.5 | 34.6 | 0 | 0 | 0 | 0 | 116 | E397 | E397-T399 PolarHBondContact O-N 3.38Š|
| 400 | A | 45.8 | Very low | 49.5 | Very low | 86 Ų | 86 | 108.2 Ų | 108.2 | 71% | 0.711 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -87.7 | -14.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | S402 | A400-S402 PolarHBondContact O-N 2.98Š|
| 401 | R | 55 | Low | 48.9 | Very low | 175 Ų | 175 | 110.6 Ų | 110.6 | 66% | 0.66 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -6 | -169.7 | -166 | 177.3 | -76.4 | 137 | -6 | 115.9 | ||
| 402 | S | 49.3 | Very low | 48.8 | Very low | 62 Ų | 62 | 110.4 Ų | 110.4 | 43% | 0.434 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.8 | -38.6 | -169.5 | -172.7 | 0 | 0 | 0 | 0 | 114.9 | A400 A404 N406 | A400-S402 PolarHBondContact O-N 2.98Å; S402-A404 PolarHBondContact O-N 3.39Å; S402-N406 PolarHBondContact O-N 3.21Å; S402-N406 PolarHBondContact O-ND2 3.39Å; S402-N406 PolarHBondContact OG-ND2 3.34Å |
| 403 | N | 51.4 | Low | 48.7 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 60% | 0.604 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -16.8 | -161.6 | -71.4 | -25.2 | 0 | 0 | 0 | 115.7 | ||
| 404 | A | 44.3 | Very low | 48.1 | Very low | 77 Ų | 77 | 112.9 Ų | 112.9 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -41.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | S402 N406 K407 | S402-A404 PolarHBondContact O-N 3.39Å; A404-N406 VanDerWaalsContact C-N 3.27Å; A404-N406 PolarHBondContact O-N 3.41Å; A404-K407 PolarHBondContact O-N 3.3Å |
| 405 | A | 45.3 | Very low | 47.6 | Very low | 67 Ų | 67 | 118.8 Ų | 118.8 | 55% | 0.554 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -57.7 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | K407 Q409 | A405-K407 PolarHBondContact O-N 3.34Å; A405-Q409 PolarHBondContact O-N 3.36Å |
| 406 | N | 54.5 | Low | 47.2 | Very low | 77 Ų | 77 | 123.4 Ų | 123.4 | 41% | 0.412 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -69.5 | -22.3 | 180 | -70.3 | -23.8 | 0 | 0 | 0 | 114.7 | S402 A404 V410 | S402-N406 PolarHBondContact O-N 3.21Å; S402-N406 PolarHBondContact O-ND2 3.39Å; S402-N406 PolarHBondContact OG-ND2 3.34Å; A404-N406 VanDerWaalsContact C-N 3.27Å; A404-N406 PolarHBondContact O-N 3.41Å; N406-V410 VanDerWaalsContact O-CG2 3.29Å; N406-V410 WeakPolarHBondContact O-CG2 3.29Å |
| 407 | K | 49.3 | Very low | 47.3 | Very low | 170 Ų | 170 | 124.4 Ų | 124.4 | 74% | 0.739 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -85.1 | -32 | -179.8 | -85.2 | -174.6 | 175.1 | -180 | 0 | 114.1 | A404 A405 | A404-K407 PolarHBondContact O-N 3.3Å; A405-K407 PolarHBondContact O-N 3.34Å |
| 408 | L | 42.4 | Very low | 47.5 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 65% | 0.654 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -79.9 | -33.6 | 177.9 | -104.2 | 158.5 | 0 | 0 | 0 | 112.5 | V410 L411 | L408-V410 PolarHBondContact O-N 3.35Å; L408-L411 PolarHBondContact O-N 3.21Å |
| 409 | Q | 50.7 | Low | 47.1 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 50% | 0.5 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -64.3 | -21 | 178.5 | -159 | 179 | 42.9 | 0 | 0 | 113.5 | A405 | A405-Q409 PolarHBondContact O-N 3.36Å |
| 410 | V | 56.2 | Low | 47.3 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 62% | 0.618 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -80.4 | -30.1 | -179.3 | 169.1 | 0 | 0 | 0 | 0 | 113 | N406 L408 | N406-V410 VanDerWaalsContact O-CG2 3.29Å; N406-V410 WeakPolarHBondContact O-CG2 3.29Å; L408-V410 PolarHBondContact O-N 3.35Å |
| 411 | L | 40.2 | Very low | 47.3 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 67% | 0.665 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -86.7 | -14.5 | -172.9 | -81.8 | 167.1 | 0 | 0 | 0 | 115.5 | L408 S414 | L408-L411 PolarHBondContact O-N 3.21Å; L411-S414 PolarHBondContact O-OG 3.11Å; L411-S414 VanDerWaalsContact O-OG 3.11Å |
| 412 | I | 49.8 | Very low | 46.8 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 66% | 0.656 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -104.2 | -34.1 | -178.4 | -61.9 | 179 | 0 | 0 | 0 | 111.6 | S414 R415 | I412-S414 PolarHBondContact O-N 3.05Å; I412-R415 PolarHBondContact O-N 3.11Å; I412-R415 VanDerWaalsContact O-N 3.11Å |
| 413 | R | 51.8 | Low | 46.7 | Very low | 196 Ų | 196 | 130.3 Ų | 130.3 | 74% | 0.74 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -20.3 | 168.9 | -87.8 | -179 | 167.9 | 144.7 | -3.5 | 113.2 | ||
| 414 | S | 41.1 | Very low | 46.3 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 14.7 | 177.3 | 60.3 | 0 | 0 | 0 | 0 | 115.3 | L411 I412 | L411-S414 PolarHBondContact O-OG 3.11Å; L411-S414 VanDerWaalsContact O-OG 3.11Å; I412-S414 PolarHBondContact O-N 3.05Å |
| 415 | R | 37.1 | Very low | 46.5 | Very low | 215 Ų | 215 | 136.2 Ų | 136.2 | 81% | 0.811 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.8 | -7.1 | 178.9 | -153.6 | 170.1 | -179.8 | 170.3 | 1.1 | 117.4 | I412 | I412-R415 PolarHBondContact O-N 3.11Å; I412-R415 VanDerWaalsContact O-N 3.11Å |
| 416 | N | 39.1 | Very low | 46.6 | Very low | 229 Ų | 229 | 142.5 Ų | 142.5 | 100% | 1.225 | 70% | 0.696 | S | S | * | * | trans | 70.9 | 0 | -173.6 | -46.7 | -69.8 | 0 | 0 | 0 | 115.6 |
Retrieved 416 of 416 residues in 1542.5 ms
(Link to these results)