| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 30.4 | Very low | 32.3 | Very low | 233 Ų | 233 | 154.1 Ų | 154.1 | 100% | 1.148 | 80% | 0.799 | S | S | * | * | 0 | 116.3 | 0 | -109.2 | 171.2 | 157.9 | 0 | 0 | 107.8 | |||||
| 2 | F | 26.3 | Very low | 32.5 | Very low | 200 Ų | 200 | 147.8 Ų | 147.8 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | 35.9 | 142.5 | 164 | -73.7 | -93.7 | 0 | 0 | 0 | 120.8 | ||||
| 3 | C | 30.7 | Very low | 32.3 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 59% | 0.588 | 80% | 0.796 | S | S | * | * | cis | 170.9 | 136.3 | -13.7 | 172.1 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 4 | C | 33.7 | Very low | 33.1 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 68% | 0.676 | 80% | 0.799 | S | S | * | * | trans | 67.2 | 128.7 | 138.2 | -41.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 5 | L | 34.6 | Very low | 33.7 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | cis | -159 | 133.6 | 49.2 | -81.5 | 148.5 | 0 | 0 | 0 | 109.4 | Y7 | L5-Y7 HydrophobicContact CB-CE1 4.02Å; L5-Y7 HydrophobicContact CB-CE2 4.25Å; L5-Y7 VanDerWaalsContact CB-OH 3.3Å; L5-Y7 WeakPolarHBondContact CB-OH 3.37Å; L5-Y7 WeakPolarHBondContact CD1-OH 3.22Å | ||
| 6 | G | 32.4 | Very low | 34.4 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -80.4 | 150.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 7 | Y | 27.5 | Very low | 34.5 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | trans | -143.9 | 95.2 | 154.1 | -29.9 | -85.7 | 0 | 0 | 0 | 106.9 | L5 | L5-Y7 HydrophobicContact CB-CE1 4.02Å; L5-Y7 HydrophobicContact CB-CE2 4.25Å; L5-Y7 VanDerWaalsContact CB-OH 3.3Å; L5-Y7 WeakPolarHBondContact CB-OH 3.37Å; L5-Y7 WeakPolarHBondContact CD1-OH 3.22Å | ||
| 8 | E | 35.7 | Very low | 34.8 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -68.9 | 130.7 | 158.1 | -74.7 | -178.6 | 129.2 | 0 | 0 | 108.4 | ||||
| 9 | W | 31.8 | Very low | 35.4 | Very low | 242 Ų | 242 | 143.1 Ų | 143.1 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | trans | -135.4 | 93.1 | 150.7 | -87.1 | 89.5 | 0 | 0 | 0 | 107.8 | ||||
| 10 | L | 37.4 | Very low | 36 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -79 | 114 | 150.7 | -90.2 | 161.1 | 0 | 0 | 0 | 107 | ||||
| 11 | S | 34.6 | Very low | 36 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | -176.7 | 122.4 | 129.5 | -164.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 12 | G | 34.5 | Very low | 36.8 | Very low | 79 Ų | 79 | 133.7 Ų | 133.7 | 81% | 0.814 | 72% | 0.724 | S | S | * | * | trans | 92.1 | 100.8 | 142.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 13 | G | 30.5 | Very low | 37.8 | Very low | 73 Ų | 73 | 129.7 Ų | 129.7 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | trans | 153.1 | 76.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116 | K15 | G13-K15 PolarHBondContact O-N 3.03Š| ||
| 14 | C | 43.5 | Very low | 38.4 | Very low | 123 Ų | 123 | 131 Ų | 131 | 83% | 0.831 | 71% | 0.712 | S | S | * | * | trans | -4.9 | 112.7 | 148.2 | -172.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 15 | K | 41.8 | Very low | 38.9 | Very low | 195 Ų | 195 | 128.7 Ų | 128.7 | 85% | 0.848 | 70% | 0.695 | S | S | * | * | trans | 174.3 | 109.5 | 155.3 | -91.7 | 143 | -165.2 | -179.6 | 0 | 105.8 | G13 | G13-K15 PolarHBondContact O-N 3.03Š| ||
| 16 | T | 44.6 | Very low | 39.3 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | S | Bend | -162.1 | 25.6 | 105.4 | 38.6 | 0 | 0 | 0 | 0 | 113.3 | H18 S19 | T16-H18 PolarHBondContact O-N 3.38Å; T16-S19 PolarHBondContact O-OG 2.97Å | |
| 17 | W | 37.4 | Very low | 39.8 | Very low | 236 Ų | 236 | 127.7 Ų | 127.7 | 89% | 0.894 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -68.4 | -22.6 | 172.6 | -74.5 | 92.7 | 0 | 0 | 0 | 113.2 | ||
| 18 | H | 40 | Very low | 40.5 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -76 | -28.4 | -179 | -105.2 | -75.2 | 0 | 0 | 0 | 114.6 | T16 V22 | T16-H18 PolarHBondContact O-N 3.38Å; H18-V22 VanDerWaalsContact O-CG2 3.31Å; H18-V22 WeakPolarHBondContact O-CG2 3.3Å; H18-V22 PolarHBondContact O-N 3.01Å |
| 19 | S | 45.2 | Very low | 40.9 | Very low | 61 Ų | 61 | 122.8 Ų | 122.8 | 43% | 0.427 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -77.9 | -31.3 | -179.2 | 44.7 | 0 | 0 | 0 | 0 | 112.4 | T16 I23 | T16-S19 PolarHBondContact O-OG 2.97Å; S19-I23 WeakPolarHBondContact O-CD1 3.41Å; S19-I23 WeakPolarHBondContact O-CG1 3.36Å; S19-I23 PolarHBondContact O-N 3.02Å |
| 20 | A | 46.5 | Very low | 41.6 | Very low | 54 Ų | 54 | 119 Ų | 119 | 45% | 0.446 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -70.7 | -37.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N24 | A20-N24 PolarHBondContact O-N 3.3Å; A20-N24 VanDerWaalsContact O-N 3.12Å |
| 21 | W | 37 | Very low | 41.7 | Very low | 182 Ų | 182 | 119.5 Ų | 119.5 | 69% | 0.689 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.4 | -47.7 | 177.8 | -156 | 60.5 | 0 | 0 | 0 | 111.1 | I23 N24 T25 | W21-I23 VanDerWaalsContact C-N 3.33Å; W21-I23 PolarHBondContact O-N 3.41Å; W21-N24 PolarHBondContact O-N 3.44Å; W21-N24 VanDerWaalsContact O-N 3.16Å; W21-T25 PolarHBondContact O-N 3.29Å; W21-T25 PolarHBondContact O-OG1 3.05Å |
| 22 | V | 47.1 | Very low | 42.1 | Very low | 85 Ų | 85 | 124.9 Ų | 124.9 | 52% | 0.515 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -63 | -35.5 | -179.7 | 173.4 | 0 | 0 | 0 | 0 | 112.8 | H18 L26 | H18-V22 VanDerWaalsContact O-CG2 3.31Å; H18-V22 WeakPolarHBondContact O-CG2 3.3Å; H18-V22 PolarHBondContact O-N 3.01Å; V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.24Å; V22-L26 PolarHBondContact O-N 3.33Å |
| 23 | I | 47.9 | Very low | 42.4 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 60% | 0.595 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.3 | -39.1 | 176.8 | -65.2 | 167.8 | 0 | 0 | 0 | 110.8 | S19 W21 L26 A27 | S19-I23 WeakPolarHBondContact O-CD1 3.41Å; S19-I23 WeakPolarHBondContact O-CG1 3.36Å; S19-I23 PolarHBondContact O-N 3.02Å; W21-I23 VanDerWaalsContact C-N 3.33Å; W21-I23 PolarHBondContact O-N 3.41Å; I23-L26 PolarHBondContact O-N 3.33Å; I23-A27 WeakPolarHBondContact O-CB 3.39Å; I23-A27 PolarHBondContact O-N 3.1Å |
| 24 | N | 43.7 | Very low | 43.3 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 61% | 0.61 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.8 | -36.2 | 175.5 | -81.9 | -19.5 | 0 | 0 | 0 | 112.6 | A20 W21 L26 A27 D28 | A20-N24 PolarHBondContact O-N 3.3Å; A20-N24 VanDerWaalsContact O-N 3.12Å; W21-N24 PolarHBondContact O-N 3.44Å; W21-N24 VanDerWaalsContact O-N 3.16Å; N24-L26 VanDerWaalsContact C-N 3.31Å; N24-L26 PolarHBondContact O-N 3.46Å; N24-A27 PolarHBondContact O-N 3.46Å; N24-D28 VanDerWaalsContact O-CB 3.25Å; N24-D28 WeakPolarHBondContact O-CB 3.46Å; N24-D28 PolarHBondContact O-N 3.46Å |
| 25 | T | 44.2 | Very low | 43.6 | Very low | 52 Ų | 52 | 127 Ų | 127 | 32% | 0.319 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -67.5 | -32.7 | 174.3 | -31.2 | 0 | 0 | 0 | 0 | 111.8 | W21 H29 | W21-T25 PolarHBondContact O-N 3.29Å; W21-T25 PolarHBondContact O-OG1 3.05Å; T25-H29 PolarHBondContact O-N 3.41Å |
| 26 | L | 41.3 | Very low | 43.5 | Very low | 120 Ų | 120 | 129 Ų | 129 | 63% | 0.628 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.3 | -34.5 | 176.1 | -168 | 69.2 | 0 | 0 | 0 | 112.4 | V22 I23 N24 | V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.24Å; V22-L26 PolarHBondContact O-N 3.33Å; I23-L26 PolarHBondContact O-N 3.33Å; N24-L26 VanDerWaalsContact C-N 3.31Å; N24-L26 PolarHBondContact O-N 3.46Å |
| 27 | A | 44.1 | Very low | 43.4 | Very low | 58 Ų | 58 | 126.2 Ų | 126.2 | 48% | 0.479 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -72.6 | -36.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I23 N24 H29 H30 | I23-A27 WeakPolarHBondContact O-CB 3.39Å; I23-A27 PolarHBondContact O-N 3.1Å; N24-A27 PolarHBondContact O-N 3.46Å; A27-H29 VanDerWaalsContact C-N 3.31Å; A27-H29 PolarHBondContact O-N 2.98Å; A27-H30 PolarHBondContact O-N 3.43Å |
| 28 | D | 41.9 | Very low | 43.8 | Very low | 119 Ų | 119 | 118.4 Ų | 118.4 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.7 | -23.6 | -179.5 | -156.9 | 56.7 | 0 | 0 | 0 | 112.7 | N24 | N24-D28 VanDerWaalsContact O-CB 3.25Å; N24-D28 WeakPolarHBondContact O-CB 3.46Å; N24-D28 PolarHBondContact O-N 3.46Å |
| 29 | H | 44.4 | Very low | 44.4 | Very low | 137 Ų | 137 | 113.8 Ų | 113.8 | 63% | 0.634 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -9.9 | 173.1 | -77.5 | 3.3 | 0 | 0 | 0 | 114.9 | T25 A27 | T25-H29 PolarHBondContact O-N 3.41Å; A27-H29 VanDerWaalsContact C-N 3.31Å; A27-H29 PolarHBondContact O-N 2.98Å |
| 30 | H | 45.3 | Very low | 44.9 | Very low | 162 Ų | 162 | 115.2 Ų | 115.2 | 75% | 0.75 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -0 | 176.4 | -97.6 | -71.2 | 0 | 0 | 0 | 114.1 | A27 | A27-H30 PolarHBondContact O-N 3.43Š|
| 31 | H | 41.2 | Very low | 45.3 | Very low | 173 Ų | 173 | 121 Ų | 121 | 80% | 0.801 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -117.6 | 6 | -176.9 | -108.5 | -61.6 | 0 | 0 | 0 | 116.1 | ||
| 32 | R | 42.1 | Very low | 46.4 | Very low | 226 Ų | 226 | 116.9 Ų | 116.9 | 85% | 0.853 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -93.6 | 103.5 | 172.7 | -114.1 | 179 | 161.5 | 174.4 | -4.5 | 110.7 | ||
| 33 | G | 40.3 | Very low | 47.1 | Very low | 58 Ų | 58 | 120 Ų | 120 | 60% | 0.598 | 64% | 0.643 | S | S | * | * | trans | 46.7 | 111.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 34 | T | 50.5 | Low | 47.8 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 76% | 0.761 | 64% | 0.637 | S | S | * | * | 15.1 | 114.1 | 87.9 | 56 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 35 | D | 49.4 | Very low | 48.6 | Very low | 137 Ų | 137 | 118.2 Ų | 118.2 | 73% | 0.733 | 63% | 0.632 | S | S | * | * | trans | 153 | 5.3 | 141.2 | -66.6 | -19.9 | 0 | 0 | 0 | 115.7 | G37 | D35-G37 PolarHBondContact O-N 3.18Å; D35-G37 VanDerWaalsContact O-N 3.13Å | ||
| 36 | F | 39.4 | Very low | 49.5 | Very low | 238 Ų | 238 | 121.3 Ų | 121.3 | 100% | 1.044 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 44.2 | 164.9 | -82.7 | -80.5 | 0 | 0 | 0 | 113.4 | ||
| 37 | G | 42 | Very low | 50.3 | Low | 48 Ų | 48 | 117.9 Ų | 117.9 | 50% | 0.495 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -154.7 | 18.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D35 S39 | D35-G37 PolarHBondContact O-N 3.18Å; D35-G37 VanDerWaalsContact O-N 3.13Å; G37-S39 PolarHBondContact O-N 2.91Å |
| 38 | G | 46.9 | Very low | 50.9 | Low | 71 Ų | 71 | 122.3 Ų | 122.3 | 73% | 0.732 | 64% | 0.644 | S | S | * | * | trans | -70.6 | 49.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P40 | G38-P40 VanDerWaalsContact O-CD 3.3Å; G38-P40 WeakPolarHBondContact O-CD 3.39Å | ||
| 39 | S | 51.1 | Low | 51.8 | Low | 55 Ų | 55 | 119 Ų | 119 | 39% | 0.385 | 63% | 0.629 | S | S | . | * | trans | -83.1 | 118.5 | 179.5 | -153.3 | 0 | 0 | 0 | 0 | 107.6 | G37 W41 L42 | G37-S39 PolarHBondContact O-N 2.91Å; S39-W41 PolarHBondContact O-N 2.95Å; S39-L42 PolarHBondContact O-N 2.9Å | ||
| 40 | P | 57.3 | Low | 52.6 | Low | 90 Ų | 90 | 116.5 Ų | 116.5 | 58% | 0.584 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -46 | -25.8 | 170 | -28.6 | 35.5 | 0 | 0 | 0 | 112.5 | G38 L42 H43 I44 | G38-P40 VanDerWaalsContact O-CD 3.3Å; G38-P40 WeakPolarHBondContact O-CD 3.39Å; P40-L42 PolarHBondContact O-N 3.41Å; P40-H43 PolarHBondContact O-N 2.89Å; P40-I44 WeakPolarHBondContact O-CD1 3.41Å; P40-I44 WeakPolarHBondContact O-CG1 3.43Å; P40-I44 PolarHBondContact O-N 2.81Å |
| 41 | W | 54.2 | Low | 53.6 | Low | 176 Ų | 176 | 112 Ų | 112 | 67% | 0.667 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -56.8 | -37.5 | 172 | -81 | 79.4 | 0 | 0 | 0 | 116 | S39 I44 I45 | S39-W41 PolarHBondContact O-N 2.95Å; W41-I44 PolarHBondContact O-N 3.28Å; W41-I45 WeakPolarHBondContact O-CB 3.18Å; W41-I45 WeakPolarHBondContact O-CD1 3.23Å; W41-I45 WeakPolarHBondContact O-CG1 3.1Å; W41-I45 PolarHBondContact O-N 3.15Å |
| 42 | L | 61.1 | Low | 55.3 | Low | 95 Ų | 95 | 109 Ų | 109 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71.8 | -37.5 | 178.2 | -76.6 | 173.7 | 0 | 0 | 0 | 111.7 | S39 P40 I44 I45 I46 | S39-L42 PolarHBondContact O-N 2.9Å; P40-L42 PolarHBondContact O-N 3.41Å; L42-I44 VanDerWaalsContact C-N 3.32Å; L42-I45 PolarHBondContact O-N 3.39Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.17Å |
| 43 | H | 61.3 | Low | 56.9 | Low | 152 Ų | 152 | 104 Ų | 104 | 70% | 0.704 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.9 | -40.9 | 170.1 | -78.7 | -85.7 | 0 | 0 | 0 | 111.1 | P40 I46 A47 | P40-H43 PolarHBondContact O-N 2.89Å; H43-I46 PolarHBondContact O-N 3.44Å; H43-A47 WeakPolarHBondContact O-CA 3.49Å; H43-A47 WeakPolarHBondContact O-CB 3.28Å; H43-A47 PolarHBondContact O-N 3.37Å |
| 44 | I | 61.4 | Low | 58.6 | Low | 92 Ų | 92 | 105 Ų | 105 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.8 | -46.4 | 174.4 | -66.1 | 161.7 | 0 | 0 | 0 | 110.7 | P40 W41 L42 I46 A47 F48 | P40-I44 WeakPolarHBondContact O-CD1 3.41Å; P40-I44 WeakPolarHBondContact O-CG1 3.43Å; P40-I44 PolarHBondContact O-N 2.81Å; W41-I44 PolarHBondContact O-N 3.28Å; L42-I44 VanDerWaalsContact C-N 3.32Å; I44-I46 VanDerWaalsContact C-N 3.28Å; I44-I46 PolarHBondContact O-N 3.41Å; I44-A47 PolarHBondContact O-N 3.47Å; I44-F48 WeakPolarHBondContact O-CB 3.27Å; I44-F48 PolarHBondContact O-N 3.27Å |
| 45 | I | 61.9 | Low | 60 | Low | 99 Ų | 99 | 103.6 Ų | 103.6 | 51% | 0.508 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.4 | -28.4 | -178.7 | -68.6 | 161.2 | 0 | 0 | 0 | 112.5 | W41 L42 P49 | W41-I45 WeakPolarHBondContact O-CB 3.18Å; W41-I45 WeakPolarHBondContact O-CD1 3.23Å; W41-I45 WeakPolarHBondContact O-CG1 3.1Å; W41-I45 PolarHBondContact O-N 3.15Å; L42-I45 PolarHBondContact O-N 3.39Å; I45-P49 WeakPolarHBondContact O-CD 3.41Å; I45-P49 WeakPolarHBondContact O-CG 3.32Å |
| 46 | I | 61.8 | Low | 61.7 | Low | 117 Ų | 117 | 101 Ų | 101 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -92.4 | -37.1 | 178.2 | -62.6 | 168.5 | 0 | 0 | 0 | 112 | L42 H43 I44 P49 T50 | L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.17Å; H43-I46 PolarHBondContact O-N 3.44Å; I44-I46 VanDerWaalsContact C-N 3.28Å; I44-I46 PolarHBondContact O-N 3.41Å; I46-P49 WeakPolarHBondContact O-CD 3.25Å; I46-T50 PolarHBondContact O-OG1 3.01Å; I46-T50 VanDerWaalsContact O-OG1 3.04Å |
| 47 | A | 58.1 | Low | 63.6 | Low | 49 Ų | 49 | 93.6 Ų | 93.6 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.1 | -39.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H43 I44 T50 S51 | H43-A47 WeakPolarHBondContact O-CA 3.49Å; H43-A47 WeakPolarHBondContact O-CB 3.28Å; H43-A47 PolarHBondContact O-N 3.37Å; I44-A47 PolarHBondContact O-N 3.47Å; A47-T50 WeakPolarHBondContact O-CB 3.48Å; A47-T50 PolarHBondContact O-N 3.39Å; A47-S51 PolarHBondContact O-N 3.16Å; A47-S51 PolarHBondContact O-OG 3.12Å; A47-S51 VanDerWaalsContact O-OG 3.13Å |
| 48 | F | 57.4 | Low | 65.5 | Low | 151 Ų | 151 | 96.7 Ų | 96.7 | 66% | 0.662 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.5 | -42 | -178 | -160.4 | -89.7 | 0 | 0 | 0 | 113 | I44 T50 Y52 | I44-F48 WeakPolarHBondContact O-CB 3.27Å; I44-F48 PolarHBondContact O-N 3.27Å; F48-T50 VanDerWaalsContact C-N 3.26Å; F48-T50 PolarHBondContact O-N 3.38Å; F48-Y52 WeakPolarHBondContact O-CD1 3.26Å; F48-Y52 PolarHBondContact O-N 2.96Å |
| 49 | P | 61.1 | Low | 67.3 | Low | 49 Ų | 49 | 101.3 Ų | 101.3 | 32% | 0.318 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.4 | -35.5 | 169.7 | -30.4 | 36.6 | 0 | 0 | 0 | 115.5 | I45 I46 Y52 K53 | I45-P49 WeakPolarHBondContact O-CD 3.41Å; I45-P49 WeakPolarHBondContact O-CG 3.32Å; I46-P49 WeakPolarHBondContact O-CD 3.25Å; P49-Y52 VanDerWaalsContact C-CD1 3.46Å; P49-Y52 HydrophobicContact CB-CD1 4.31Å; P49-Y52 HydrophobicContact CB-CE1 3.9Å; P49-Y52 WeakPolarHBondContact O-CD1 3.32Å; P49-Y52 WeakPolarHBondContact O-CE1 3.44Å; P49-K53 VanDerWaalsContact O-CG 3.3Å; P49-K53 WeakPolarHBondContact O-CG 3.48Å; P49-K53 PolarHBondContact O-N 3.01Å |
| 50 | T | 60.2 | Low | 69.1 | Low | 84 Ų | 84 | 102.8 Ų | 102.8 | 52% | 0.515 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -80.9 | -43.5 | -174.7 | -52.7 | 0 | 0 | 0 | 0 | 109.6 | I46 A47 F48 K53 V54 | I46-T50 PolarHBondContact O-OG1 3.01Å; I46-T50 VanDerWaalsContact O-OG1 3.04Å; A47-T50 WeakPolarHBondContact O-CB 3.48Å; A47-T50 PolarHBondContact O-N 3.39Å; F48-T50 VanDerWaalsContact C-N 3.26Å; F48-T50 PolarHBondContact O-N 3.38Å; T50-K53 PolarHBondContact O-N 3.45Å; T50-V54 WeakPolarHBondContact O-CG2 3.48Å; T50-V54 PolarHBondContact O-N 3.37Å; T50-V54 VanDerWaalsContact O-N 3.15Å |
| 51 | S | 67.7 | Low | 70.6 | Confident | 69 Ų | 69 | 102.3 Ų | 102.3 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 175.7 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | A47 K53 V54 V55 | A47-S51 PolarHBondContact O-N 3.16Å; A47-S51 PolarHBondContact O-OG 3.12Å; A47-S51 VanDerWaalsContact O-OG 3.13Å; S51-K53 VanDerWaalsContact C-N 3.28Å; S51-K53 PolarHBondContact O-N 3.13Å; S51-V54 PolarHBondContact O-N 3.49Å; S51-V55 WeakPolarHBondContact O-CG2 3.22Å; S51-V55 PolarHBondContact O-N 2.9Å |
| 52 | Y | 76 | Confident | 72.2 | Confident | 109 Ų | 109 | 101.5 Ų | 101.5 | 43% | 0.427 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 178.2 | 89.7 | -110.5 | 0 | 0 | 0 | 111.5 | F48 P49 V54 V55 I56 | F48-Y52 WeakPolarHBondContact O-CD1 3.26Å; F48-Y52 PolarHBondContact O-N 2.96Å; P49-Y52 VanDerWaalsContact C-CD1 3.46Å; P49-Y52 HydrophobicContact CB-CD1 4.31Å; P49-Y52 HydrophobicContact CB-CE1 3.9Å; P49-Y52 WeakPolarHBondContact O-CD1 3.32Å; P49-Y52 WeakPolarHBondContact O-CE1 3.44Å; Y52-V54 VanDerWaalsContact C-N 3.32Å; Y52-V54 PolarHBondContact O-N 2.75Å; Y52-V55 PolarHBondContact O-N 3.47Å; Y52-I56 HydrophobicContact CD2-CD1 3.57Å; Y52-I56 HydrophobicContact CD2-CG1 4.38Å; Y52-I56 HydrophobicContact CE2-CD1 4.06Å; Y52-I56 WeakPolarHBondContact O-CB 3.43Å; Y52-I56 VanDerWaalsContact O-CG1 3.25Å; Y52-I56 WeakPolarHBondContact O-CG1 3.3Å; Y52-I56 PolarHBondContact O-N 2.89Å |
| 53 | K | 76.6 | Confident | 73.4 | Confident | 121 Ų | 121 | 101.6 Ų | 101.6 | 53% | 0.526 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 178.1 | -75.2 | 179.1 | -178.1 | 175.5 | 0 | 111.3 | P49 T50 S51 T57 | P49-K53 VanDerWaalsContact O-CG 3.3Å; P49-K53 WeakPolarHBondContact O-CG 3.48Å; P49-K53 PolarHBondContact O-N 3.01Å; T50-K53 PolarHBondContact O-N 3.45Å; S51-K53 VanDerWaalsContact C-N 3.28Å; S51-K53 PolarHBondContact O-N 3.13Å; K53-T57 VanDerWaalsContact O-CB 3.29Å; K53-T57 WeakPolarHBondContact O-CB 3.36Å; K53-T57 PolarHBondContact O-N 2.86Å; K53-T57 PolarHBondContact O-OG1 2.83Å |
| 54 | V | 75.9 | Confident | 74.6 | Confident | 80 Ų | 80 | 102.4 Ų | 102.4 | 49% | 0.485 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 176.4 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | T50 S51 Y52 T57 L58 | T50-V54 WeakPolarHBondContact O-CG2 3.48Å; T50-V54 PolarHBondContact O-N 3.37Å; T50-V54 VanDerWaalsContact O-N 3.15Å; S51-V54 PolarHBondContact O-N 3.49Å; Y52-V54 VanDerWaalsContact C-N 3.32Å; Y52-V54 PolarHBondContact O-N 2.75Å; V54-T57 PolarHBondContact O-N 3.49Å; V54-L58 HydrophobicContact CG1-CD1 3.85Å; V54-L58 HydrophobicContact CG1-CG 4.32Å; V54-L58 WeakPolarHBondContact O-CB 3.29Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.25Å; V54-L58 PolarHBondContact O-N 2.94Å |
| 55 | V | 79.9 | Confident | 75.6 | Confident | 93 Ų | 93 | 102.2 Ų | 102.2 | 56% | 0.564 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.6 | -46 | 179 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | S51 Y52 T57 L58 W59 | S51-V55 WeakPolarHBondContact O-CG2 3.22Å; S51-V55 PolarHBondContact O-N 2.9Å; Y52-V55 PolarHBondContact O-N 3.47Å; V55-T57 VanDerWaalsContact C-N 3.31Å; V55-T57 PolarHBondContact O-N 2.98Å; V55-L58 PolarHBondContact O-N 3.38Å; V55-W59 WeakPolarHBondContact O-CB 3.31Å; V55-W59 PolarHBondContact O-N 2.91Å |
| 56 | I | 83.8 | Confident | 76.4 | Confident | 83 Ų | 83 | 99.6 Ų | 99.6 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 175.9 | -69.5 | 178.1 | 0 | 0 | 0 | 110.6 | Y52 W59 I60 | Y52-I56 HydrophobicContact CD2-CD1 3.57Å; Y52-I56 HydrophobicContact CD2-CG1 4.38Å; Y52-I56 HydrophobicContact CE2-CD1 4.06Å; Y52-I56 WeakPolarHBondContact O-CB 3.43Å; Y52-I56 VanDerWaalsContact O-CG1 3.25Å; Y52-I56 WeakPolarHBondContact O-CG1 3.3Å; Y52-I56 PolarHBondContact O-N 2.89Å; I56-W59 PolarHBondContact O-N 3.2Å; I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.4Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.32Å; I56-I60 PolarHBondContact O-N 3.43Å |
| 57 | T | 80 | Confident | 77.2 | Confident | 83 Ų | 83 | 98.5 Ų | 98.5 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 179.1 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | K53 V54 V55 I60 V61 | K53-T57 VanDerWaalsContact O-CB 3.29Å; K53-T57 WeakPolarHBondContact O-CB 3.36Å; K53-T57 PolarHBondContact O-N 2.86Å; K53-T57 PolarHBondContact O-OG1 2.83Å; V54-T57 PolarHBondContact O-N 3.49Å; V55-T57 VanDerWaalsContact C-N 3.31Å; V55-T57 PolarHBondContact O-N 2.98Å; T57-I60 PolarHBondContact O-N 3.28Å; T57-V61 VanDerWaalsContact O-CG2 3.3Å; T57-V61 WeakPolarHBondContact O-CG2 3.34Å; T57-V61 PolarHBondContact O-N 2.89Å |
| 58 | L | 82.4 | Confident | 78.2 | Confident | 113 Ų | 113 | 99.9 Ų | 99.9 | 59% | 0.592 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | 175.5 | -73.2 | 172.2 | 0 | 0 | 0 | 111.7 | V54 V55 V61 Y62 | V54-L58 HydrophobicContact CG1-CD1 3.85Å; V54-L58 HydrophobicContact CG1-CG 4.32Å; V54-L58 WeakPolarHBondContact O-CB 3.29Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.25Å; V54-L58 PolarHBondContact O-N 2.94Å; V55-L58 PolarHBondContact O-N 3.38Å; L58-V61 PolarHBondContact O-N 3.29Å; L58-Y62 VanDerWaalsContact O-CB 3.25Å; L58-Y62 WeakPolarHBondContact O-CB 3.24Å; L58-Y62 PolarHBondContact O-N 3.34Å |
| 59 | W | 84.8 | Confident | 79 | Confident | 168 Ų | 168 | 100.2 Ų | 100.2 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 177 | -174.8 | 56.3 | 0 | 0 | 0 | 112.2 | V55 I56 Y62 L63 | V55-W59 WeakPolarHBondContact O-CB 3.31Å; V55-W59 PolarHBondContact O-N 2.91Å; I56-W59 PolarHBondContact O-N 3.2Å; W59-Y62 PolarHBondContact O-N 2.83Å; W59-L63 WeakPolarHBondContact O-CB 3.35Å; W59-L63 PolarHBondContact O-N 3.34Å |
| 60 | I | 88.6 | Confident | 79.4 | Confident | 85 Ų | 85 | 102.3 Ų | 102.3 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 175.6 | -69.9 | 166.6 | 0 | 0 | 0 | 111 | I56 T57 L63 W64 | I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.4Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.32Å; I56-I60 PolarHBondContact O-N 3.43Å; T57-I60 PolarHBondContact O-N 3.28Å; I60-L63 PolarHBondContact O-N 2.85Å; I60-W64 WeakPolarHBondContact O-CB 3.3Å; I60-W64 PolarHBondContact O-N 3.38Å |
| 61 | V | 88.9 | Confident | 79.9 | Confident | 81 Ų | 81 | 102.7 Ų | 102.7 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | T57 L58 W64 V65 | T57-V61 VanDerWaalsContact O-CG2 3.3Å; T57-V61 WeakPolarHBondContact O-CG2 3.34Å; T57-V61 PolarHBondContact O-N 2.89Å; L58-V61 PolarHBondContact O-N 3.29Å; V61-W64 PolarHBondContact O-N 2.84Å; V61-V65 HydrophobicContact CG1-CG2 4.35Å; V61-V65 WeakPolarHBondContact O-CG2 3.23Å; V61-V65 PolarHBondContact O-N 3.35Å |
| 62 | Y | 86.4 | Confident | 79.6 | Confident | 159 Ų | 159 | 105.6 Ų | 105.6 | 62% | 0.624 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.3 | -46.8 | 176.8 | -178.2 | -99.1 | 0 | 0 | 0 | 111.9 | L58 W59 W64 V65 S66 | L58-Y62 VanDerWaalsContact O-CB 3.25Å; L58-Y62 WeakPolarHBondContact O-CB 3.24Å; L58-Y62 PolarHBondContact O-N 3.34Å; W59-Y62 PolarHBondContact O-N 2.83Å; Y62-W64 VanDerWaalsContact C-N 3.29Å; Y62-W64 PolarHBondContact O-N 3.33Å; Y62-V65 PolarHBondContact O-N 2.96Å; Y62-S66 WeakPolarHBondContact O-CB 3.25Å; Y62-S66 PolarHBondContact O-N 2.99Å; Y62-S66 PolarHBondContact O-OG 3.44Å |
| 63 | L | 87.1 | Confident | 78.5 | Confident | 97 Ų | 97 | 110.5 Ų | 110.5 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 176.1 | -164.7 | 83.6 | 0 | 0 | 0 | 111.2 | W59 I60 L67 | W59-L63 WeakPolarHBondContact O-CB 3.35Å; W59-L63 PolarHBondContact O-N 3.34Å; I60-L63 PolarHBondContact O-N 2.85Å; L63-L67 VanDerWaalsContact O-CB 3.28Å; L63-L67 WeakPolarHBondContact O-CB 3.48Å; L63-L67 PolarHBondContact O-N 2.86Å |
| 64 | W | 85.7 | Confident | 77.5 | Confident | 168 Ų | 168 | 108.4 Ų | 108.4 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.8 | -43.5 | 176.8 | -103.9 | 82.4 | 0 | 0 | 0 | 112.9 | I60 V61 Y62 L67 L68 | I60-W64 WeakPolarHBondContact O-CB 3.3Å; I60-W64 PolarHBondContact O-N 3.38Å; V61-W64 PolarHBondContact O-N 2.84Å; Y62-W64 VanDerWaalsContact C-N 3.29Å; Y62-W64 PolarHBondContact O-N 3.33Å; W64-L67 PolarHBondContact O-N 3.39Å; W64-L68 HydrophobicContact CD2-CD1 4.47Å; W64-L68 HydrophobicContact CE3-CD1 3.34Å; W64-L68 HydrophobicContact CZ3-CD1 3.7Å; W64-L68 WeakPolarHBondContact O-CB 3.39Å; W64-L68 VanDerWaalsContact O-CD1 3.25Å; W64-L68 WeakPolarHBondContact O-CD1 3.37Å; W64-L68 PolarHBondContact O-N 2.88Å |
| 65 | V | 82.3 | Confident | 76.2 | Confident | 88 Ų | 88 | 111.1 Ų | 111.1 | 53% | 0.533 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 177.6 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | V61 Y62 L68 K69 | V61-V65 HydrophobicContact CG1-CG2 4.35Å; V61-V65 WeakPolarHBondContact O-CG2 3.23Å; V61-V65 PolarHBondContact O-N 3.35Å; Y62-V65 PolarHBondContact O-N 2.96Å; V65-L68 PolarHBondContact O-N 3.26Å; V65-K69 VanDerWaalsContact O-CB 3.27Å; V65-K69 WeakPolarHBondContact O-CB 3.37Å; V65-K69 PolarHBondContact O-N 2.97Å |
| 66 | S | 79.6 | Confident | 74.7 | Confident | 45 Ų | 45 | 112.2 Ų | 112.2 | 32% | 0.315 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 175.2 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | Y62 K69 T70 | Y62-S66 WeakPolarHBondContact O-CB 3.25Å; Y62-S66 PolarHBondContact O-N 2.99Å; Y62-S66 PolarHBondContact O-OG 3.44Å; S66-K69 PolarHBondContact O-N 2.83Å; S66-T70 WeakPolarHBondContact O-CG2 3.03Å; S66-T70 PolarHBondContact O-N 2.97Å; S66-T70 PolarHBondContact O-OG1 3.37Å |
| 67 | L | 78.8 | Confident | 73.1 | Confident | 94 Ų | 94 | 111.3 Ų | 111.3 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.6 | -36.7 | 176.7 | -169 | 140.6 | 0 | 0 | 0 | 112.5 | L63 W64 K69 T70 I71 | L63-L67 VanDerWaalsContact O-CB 3.28Å; L63-L67 WeakPolarHBondContact O-CB 3.48Å; L63-L67 PolarHBondContact O-N 2.86Å; W64-L67 PolarHBondContact O-N 3.39Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-T70 WeakPolarHBondContact CA-OG1 3.42Å; L67-T70 PolarHBondContact O-OG1 3.34Å; L67-I71 HydrophobicContact CD2-CD1 3.57Å; L67-I71 HydrophobicContact CG-CD1 4.41Å; L67-I71 VanDerWaalsContact O-CG1 3.26Å; L67-I71 WeakPolarHBondContact O-CG1 3.39Å; L67-I71 PolarHBondContact O-N 3.39Å; L67-I71 VanDerWaalsContact O-N 3.13Å |
| 68 | L | 79.9 | Confident | 71.7 | Confident | 78 Ų | 78 | 113.3 Ų | 113.3 | 41% | 0.408 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.8 | -40.4 | 171 | -102 | 95.9 | 0 | 0 | 0 | 111.5 | W64 V65 I71 F72 | W64-L68 HydrophobicContact CD2-CD1 4.47Å; W64-L68 HydrophobicContact CE3-CD1 3.34Å; W64-L68 HydrophobicContact CZ3-CD1 3.7Å; W64-L68 WeakPolarHBondContact O-CB 3.39Å; W64-L68 VanDerWaalsContact O-CD1 3.25Å; W64-L68 WeakPolarHBondContact O-CD1 3.37Å; W64-L68 PolarHBondContact O-N 2.88Å; V65-L68 PolarHBondContact O-N 3.26Å; L68-I71 PolarHBondContact O-N 3.29Å; L68-F72 WeakPolarHBondContact O-CB 3.44Å; L68-F72 PolarHBondContact O-N 3.48Å |
| 69 | K | 72.9 | Confident | 70.1 | Confident | 158 Ų | 158 | 113.6 Ų | 113.6 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.4 | -41.9 | -179.8 | -171.9 | 163.9 | 178 | 163.8 | 0 | 111.1 | V65 S66 L67 F72 W73 | V65-K69 VanDerWaalsContact O-CB 3.27Å; V65-K69 WeakPolarHBondContact O-CB 3.37Å; V65-K69 PolarHBondContact O-N 2.97Å; S66-K69 PolarHBondContact O-N 2.83Å; L67-K69 VanDerWaalsContact C-N 3.33Å; K69-F72 PolarHBondContact O-N 2.84Å; K69-W73 VanDerWaalsContact O-CB 3.23Å; K69-W73 WeakPolarHBondContact O-CB 3.35Å; K69-W73 PolarHBondContact O-N 3.03Å |
| 70 | T | 69.4 | Low | 68.6 | Low | 93 Ų | 93 | 108.2 Ų | 108.2 | 57% | 0.571 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.7 | -41.8 | 174.7 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | S66 L67 W73 S74 | S66-T70 WeakPolarHBondContact O-CG2 3.03Å; S66-T70 PolarHBondContact O-N 2.97Å; S66-T70 PolarHBondContact O-OG1 3.37Å; L67-T70 WeakPolarHBondContact CA-OG1 3.42Å; L67-T70 PolarHBondContact O-OG1 3.34Å; T70-W73 PolarHBondContact O-N 3.03Å; T70-S74 WeakPolarHBondContact O-CB 3.33Å; T70-S74 PolarHBondContact O-N 3.36Å |
| 71 | I | 71.6 | Confident | 66.9 | Low | 92 Ų | 92 | 107.3 Ų | 107.3 | 47% | 0.472 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.2 | -45.5 | 176.6 | -67.7 | 170.6 | 0 | 0 | 0 | 111.4 | L67 L68 S74 R75 | L67-I71 HydrophobicContact CD2-CD1 3.57Å; L67-I71 HydrophobicContact CG-CD1 4.41Å; L67-I71 VanDerWaalsContact O-CG1 3.26Å; L67-I71 WeakPolarHBondContact O-CG1 3.39Å; L67-I71 PolarHBondContact O-N 3.39Å; L67-I71 VanDerWaalsContact O-N 3.13Å; L68-I71 PolarHBondContact O-N 3.29Å; I71-S74 PolarHBondContact O-N 2.92Å; I71-S74 PolarHBondContact O-OG 3.33Å; I71-R75 PolarHBondContact O-N 2.84Å |
| 72 | F | 61.7 | Low | 65.3 | Low | 130 Ų | 130 | 107.3 Ų | 107.3 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.9 | -36.2 | 179.5 | -99.2 | -90.1 | 0 | 0 | 0 | 112.8 | L68 K69 R75 N76 | L68-F72 WeakPolarHBondContact O-CB 3.44Å; L68-F72 PolarHBondContact O-N 3.48Å; K69-F72 PolarHBondContact O-N 2.84Å; F72-R75 PolarHBondContact O-N 3.43Å; F72-R75 VanDerWaalsContact O-N 3.16Å; F72-N76 PolarHBondContact O-N 3.23Å |
| 73 | W | 52.5 | Low | 64 | Low | 211 Ų | 211 | 103.9 Ų | 103.9 | 80% | 0.799 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70 | -35.5 | 177.2 | -148.5 | 43 | 0 | 0 | 0 | 111.9 | K69 T70 R75 G77 | K69-W73 VanDerWaalsContact O-CB 3.23Å; K69-W73 WeakPolarHBondContact O-CB 3.35Å; K69-W73 PolarHBondContact O-N 3.03Å; T70-W73 PolarHBondContact O-N 3.03Å; W73-R75 PolarHBondContact O-N 3.13Å; W73-R75 VanDerWaalsContact O-N 3.17Å; W73-G77 PolarHBondContact O-N 2.92Å |
| 74 | S | 54.2 | Low | 62.6 | Low | 78 Ų | 78 | 104 Ų | 104 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.9 | -21.7 | 171.3 | 82.2 | 0 | 0 | 0 | 0 | 113.5 | T70 I71 | T70-S74 WeakPolarHBondContact O-CB 3.33Å; T70-S74 PolarHBondContact O-N 3.36Å; I71-S74 PolarHBondContact O-N 2.92Å; I71-S74 PolarHBondContact O-OG 3.33Å |
| 75 | R | 49.4 | Very low | 61.1 | Low | 137 Ų | 137 | 102.9 Ų | 102.9 | 52% | 0.517 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -94.8 | -39 | -176.6 | -168.1 | 143 | 157.6 | 176.9 | -7.6 | 112.6 | I71 F72 W73 G77 H78 | I71-R75 PolarHBondContact O-N 2.84Å; F72-R75 PolarHBondContact O-N 3.43Å; F72-R75 VanDerWaalsContact O-N 3.16Å; W73-R75 PolarHBondContact O-N 3.13Å; W73-R75 VanDerWaalsContact O-N 3.17Å; R75-G77 VanDerWaalsContact C-N 3.29Å; R75-G77 PolarHBondContact O-N 2.97Å; R75-H78 PolarHBondContact O-N 2.93Å |
| 76 | N | 49.3 | Very low | 59.9 | Low | 116 Ų | 116 | 104 Ų | 104 | 62% | 0.62 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -74.5 | -16.1 | 179.3 | -73.6 | 4.4 | 0 | 0 | 0 | 113.8 | F72 | F72-N76 PolarHBondContact O-N 3.23Å |
| 77 | G | 50.2 | Low | 59 | Low | 63 Ų | 63 | 110.2 Ų | 110.2 | 65% | 0.649 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -8.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | W73 R75 | W73-G77 PolarHBondContact O-N 2.92Å; R75-G77 VanDerWaalsContact C-N 3.29Å; R75-G77 PolarHBondContact O-N 2.97Å |
| 78 | H | 50.3 | Low | 58.1 | Low | 125 Ų | 125 | 108.3 Ų | 108.3 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -102.6 | -4.4 | -171.8 | -93.6 | -39.5 | 0 | 0 | 0 | 115.6 | R75 T82 | R75-H78 PolarHBondContact O-N 2.93Å; H78-T82 PolarHBondContact O-OG1 2.86Å |
| 79 | D | 49.5 | Very low | 57 | Low | 120 Ų | 120 | 112 Ų | 112 | 64% | 0.642 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -14.5 | -173.8 | -73 | -19.5 | 0 | 0 | 0 | 113.9 | ||
| 80 | G | 52.6 | Low | 56.2 | Low | 55 Ų | 55 | 112.3 Ų | 112.3 | 57% | 0.567 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -30.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 81 | S | 52.6 | Low | 55.7 | Low | 66 Ų | 66 | 111.7 Ų | 111.7 | 46% | 0.462 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -82.4 | -28.6 | -173.4 | 175.6 | 0 | 0 | 0 | 0 | 113.2 | Q85 | S81-Q85 WeakPolarHBondContact O-CG 3.04Å; S81-Q85 PolarHBondContact O-N 3.48Å |
| 82 | T | 55.2 | Low | 55.1 | Low | 81 Ų | 81 | 112.2 Ų | 112.2 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73.5 | -36.1 | -178 | 43.3 | 0 | 0 | 0 | 0 | 111.8 | H78 Q86 | H78-T82 PolarHBondContact O-OG1 2.86Å; T82-Q86 WeakPolarHBondContact O-CB 3.43Å; T82-Q86 PolarHBondContact O-N 3.45Å |
| 83 | D | 58.6 | Low | 54.8 | Low | 86 Ų | 86 | 111.6 Ų | 111.6 | 46% | 0.46 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.5 | -41.9 | 176.4 | -169.6 | 65 | 0 | 0 | 0 | 112.1 | Q86 R87 | D83-Q86 PolarHBondContact O-N 3.49Å; D83-R87 WeakPolarHBondContact O-CB 3.21Å; D83-R87 PolarHBondContact O-N 2.92Å; D83-R87 IonicContact OD2-CZ 3.88Å; D83-R87 IonicContact OD2-NH2 3.86Å |
| 84 | V | 57.5 | Low | 55 | Low | 99 Ų | 99 | 111.4 Ų | 111.4 | 60% | 0.6 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66 | -44.7 | 178 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | R87 A88 | V84-R87 PolarHBondContact O-N 3.37Å; V84-A88 WeakPolarHBondContact O-CB 3.42Å; V84-A88 PolarHBondContact O-N 2.91Å |
| 85 | Q | 54.7 | Low | 54.9 | Low | 146 Ų | 146 | 117.2 Ų | 117.2 | 68% | 0.682 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.7 | -37.2 | 176.7 | -70.6 | -128 | -33.8 | 0 | 0 | 112.1 | S81 W89 | S81-Q85 WeakPolarHBondContact O-CG 3.04Å; S81-Q85 PolarHBondContact O-N 3.48Å; Q85-W89 VanDerWaalsContact O-CB 3.24Å; Q85-W89 WeakPolarHBondContact O-CB 2.86Å; Q85-W89 PolarHBondContact O-N 3.34Å |
| 86 | Q | 57.3 | Low | 54.9 | Low | 111 Ų | 111 | 115.6 Ų | 115.6 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72 | -33.9 | 177.7 | -166 | 136.4 | -45.1 | 0 | 0 | 112.2 | T82 D83 R90 | T82-Q86 WeakPolarHBondContact O-CB 3.43Å; T82-Q86 PolarHBondContact O-N 3.45Å; D83-Q86 PolarHBondContact O-N 3.49Å; Q86-R90 WeakPolarHBondContact O-CB 3.37Å; Q86-R90 WeakPolarHBondContact O-CG 3.14Å; Q86-R90 PolarHBondContact O-N 2.98Å |
| 87 | R | 61.7 | Low | 55.1 | Low | 175 Ų | 175 | 115.6 Ų | 115.6 | 66% | 0.66 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.4 | -41.5 | 173.5 | -170.9 | 175.6 | -84.5 | 170.7 | -3.7 | 111.5 | D83 V84 R90 S91 | D83-R87 WeakPolarHBondContact O-CB 3.21Å; D83-R87 PolarHBondContact O-N 2.92Å; D83-R87 IonicContact OD2-CZ 3.88Å; D83-R87 IonicContact OD2-NH2 3.86Å; V84-R87 PolarHBondContact O-N 3.37Å; R87-R90 PolarHBondContact O-N 3.15Å; R87-S91 PolarHBondContact O-N 2.86Å; R87-S91 VanDerWaalsContact O-N 3.1Å |
| 88 | A | 58.3 | Low | 55.2 | Low | 55 Ų | 55 | 115.8 Ų | 115.8 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64 | -40.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | V84 S91 N92 | V84-A88 WeakPolarHBondContact O-CB 3.42Å; V84-A88 PolarHBondContact O-N 2.91Å; A88-S91 PolarHBondContact O-N 2.98Å; A88-N92 PolarHBondContact O-N 2.99Å |
| 89 | W | 57.9 | Low | 55 | Low | 156 Ų | 156 | 116.5 Ų | 116.5 | 59% | 0.591 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.8 | -40.5 | 177.2 | -169.2 | 82.5 | 0 | 0 | 0 | 112.8 | Q85 S91 N92 R93 | Q85-W89 VanDerWaalsContact O-CB 3.24Å; Q85-W89 WeakPolarHBondContact O-CB 2.86Å; Q85-W89 PolarHBondContact O-N 3.34Å; W89-S91 VanDerWaalsContact C-N 3.32Å; W89-S91 PolarHBondContact O-N 3.01Å; W89-N92 PolarHBondContact O-N 2.85Å; W89-R93 WeakPolarHBondContact O-CB 3.43Å; W89-R93 PolarHBondContact O-N 3.15Å |
| 90 | R | 56.7 | Low | 54.9 | Low | 163 Ų | 163 | 118.6 Ų | 118.6 | 62% | 0.615 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.9 | -35.4 | 173.8 | -79.7 | -177 | 178.8 | 158.4 | -0.6 | 112.6 | Q86 R87 R94 | Q86-R90 WeakPolarHBondContact O-CB 3.37Å; Q86-R90 WeakPolarHBondContact O-CG 3.14Å; Q86-R90 PolarHBondContact O-N 2.98Å; R87-R90 PolarHBondContact O-N 3.15Å; R90-R94 PolarHBondContact O-N 3.49Å |
| 91 | S | 57.3 | Low | 54.6 | Low | 80 Ų | 80 | 121.4 Ų | 121.4 | 56% | 0.559 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69 | -44.8 | 176.2 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | R87 A88 W89 R93 R94 R95 | R87-S91 PolarHBondContact O-N 2.86Å; R87-S91 VanDerWaalsContact O-N 3.1Å; A88-S91 PolarHBondContact O-N 2.98Å; W89-S91 VanDerWaalsContact C-N 3.32Å; W89-S91 PolarHBondContact O-N 3.01Å; S91-R93 VanDerWaalsContact C-N 3.34Å; S91-R93 PolarHBondContact O-N 3.33Å; S91-R94 PolarHBondContact O-N 3.13Å; S91-R95 PolarHBondContact O-N 3.32Å |
| 92 | N | 58.7 | Low | 54.5 | Low | 104 Ų | 104 | 125 Ų | 125 | 56% | 0.556 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69 | -29.8 | 177.3 | -103.7 | -28.3 | 0 | 0 | 0 | 113.3 | A88 W89 R95 Q96 | A88-N92 PolarHBondContact O-N 2.99Å; W89-N92 PolarHBondContact O-N 2.85Å; N92-R95 PolarHBondContact O-N 3.47Å; N92-Q96 PolarHBondContact O-N 3.18Å |
| 93 | R | 55.8 | Low | 54 | Low | 117 Ų | 117 | 126.1 Ų | 126.1 | 44% | 0.442 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.6 | -41.8 | 176.8 | -169.5 | 168.1 | -176 | 167.6 | 2.8 | 112.4 | W89 S91 Q96 E97 | W89-R93 WeakPolarHBondContact O-CB 3.43Å; W89-R93 PolarHBondContact O-N 3.15Å; S91-R93 VanDerWaalsContact C-N 3.34Å; S91-R93 PolarHBondContact O-N 3.33Å; R93-Q96 PolarHBondContact O-N 2.65Å; R93-E97 IonicContact NE-OE1 2.86Å; R93-E97 WeakPolarHBondContact O-CG 3.04Å; R93-E97 PolarHBondContact O-N 3.25Å |
| 94 | R | 57.5 | Low | 53.4 | Low | 207 Ų | 207 | 131 Ų | 131 | 78% | 0.781 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.5 | -36.5 | 174.4 | -70.5 | -169.5 | -172.7 | -173.8 | 2.3 | 112.6 | R90 S91 | R90-R94 PolarHBondContact O-N 3.49Å; S91-R94 PolarHBondContact O-N 3.13Å |
| 95 | R | 52.6 | Low | 52.5 | Low | 200 Ų | 200 | 134.2 Ų | 134.2 | 76% | 0.755 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.4 | -34.1 | 173.9 | -108 | -171.7 | -178.8 | -174.8 | 1.3 | 113.2 | S91 N92 | S91-R95 PolarHBondContact O-N 3.32Å; N92-R95 PolarHBondContact O-N 3.47Å |
| 96 | Q | 49.1 | Very low | 52.3 | Low | 103 Ų | 103 | 133.9 Ų | 133.9 | 48% | 0.481 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -77.9 | -26.7 | 176.3 | -81.6 | -150.5 | -6.8 | 0 | 0 | 113.9 | N92 R93 G98 L99 R100 | N92-Q96 PolarHBondContact O-N 3.18Å; R93-Q96 PolarHBondContact O-N 2.65Å; Q96-G98 PolarHBondContact O-N 2.92Å; Q96-L99 PolarHBondContact O-N 3.29Å; Q96-R100 VanDerWaalsContact O-CB 3.3Å; Q96-R100 WeakPolarHBondContact O-CB 3.08Å; Q96-R100 WeakPolarHBondContact O-CG 3.11Å; Q96-R100 PolarHBondContact O-N 3.34Å |
| 97 | E | 52.2 | Low | 51.4 | Low | 115 Ų | 115 | 138 Ų | 138 | 54% | 0.537 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -64 | -25.8 | 175.3 | -78.8 | 163 | -174.6 | 0 | 0 | 112.2 | R93 | R93-E97 IonicContact NE-OE1 2.86Å; R93-E97 WeakPolarHBondContact O-CG 3.04Å; R93-E97 PolarHBondContact O-N 3.25Å |
| 98 | G | 53.6 | Low | 50.7 | Low | 68 Ų | 68 | 139.7 Ų | 139.7 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -14.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q96 | Q96-G98 PolarHBondContact O-N 2.92Š|
| 99 | L | 46.5 | Very low | 49.9 | Very low | 139 Ų | 139 | 148.6 Ų | 148.6 | 73% | 0.728 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -2.7 | -179.3 | -81.4 | 165 | 0 | 0 | 0 | 113.4 | Q96 S101 | Q96-L99 PolarHBondContact O-N 3.29Å; L99-S101 VanDerWaalsContact C-N 3.34Å; L99-S101 PolarHBondContact O-N 2.92Å |
| 100 | R | 46.2 | Very low | 49 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 62% | 0.623 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 8.9 | -170.9 | -96.3 | 176.4 | -179.4 | -148 | -0.4 | 115.8 | Q96 I102 | Q96-R100 VanDerWaalsContact O-CB 3.3Å; Q96-R100 WeakPolarHBondContact O-CB 3.08Å; Q96-R100 WeakPolarHBondContact O-CG 3.11Å; Q96-R100 PolarHBondContact O-N 3.34Å; R100-I102 VanDerWaalsContact C-N 3.32Å |
| 101 | S | 47.3 | Very low | 48.4 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -5.3 | 171.4 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | L99 | L99-S101 VanDerWaalsContact C-N 3.34Å; L99-S101 PolarHBondContact O-N 2.92Å |
| 102 | I | 49.3 | Very low | 47.9 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -129.5 | 125.9 | -179.1 | -52 | 178.1 | 0 | 0 | 0 | 110.1 | R100 | R100-I102 VanDerWaalsContact C-N 3.32Š|
| 103 | C | 45.2 | Very low | 47.2 | Very low | 104 Ų | 104 | 151.4 Ų | 151.4 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | trans | 89.8 | 88.1 | 168.3 | -159.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 104 | M | 46.1 | Very low | 46.5 | Very low | 190 Ų | 190 | 157 Ų | 157 | 94% | 0.936 | 77% | 0.772 | S | S | * | * | trans | -76.5 | 119 | 148 | -84.8 | -130.9 | 131.2 | 0 | 0 | 109.2 | ||||
| 105 | H | 38.3 | Very low | 46 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -137.5 | 127.5 | 154 | -104 | -75 | 0 | 0 | 0 | 110.6 | K107 | H105-K107 PolarHBondContact O-N 2.92Š| ||
| 106 | T | 51 | Low | 46.2 | Very low | 139 Ų | 139 | 147 Ų | 147 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -61.5 | 109.5 | -177.2 | 41.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 107 | K | 38.2 | Very low | 46.8 | Very low | 196 Ų | 196 | 151.6 Ų | 151.6 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | -111.2 | 103.4 | 161.7 | -86.5 | -176.4 | 175.9 | 178 | 0 | 109.7 | H105 R109 | H105-K107 PolarHBondContact O-N 2.92Å; K107-R109 PolarHBondContact O-N 3.39Å; K107-R109 VanDerWaalsContact O-N 3.15Å | ||
| 108 | K | 47.8 | Very low | 47.2 | Very low | 211 Ų | 211 | 151.8 Ų | 151.8 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -49.4 | 114.9 | 164.4 | -83.6 | 179.9 | 173.8 | 176.5 | 0 | 108.5 | V110 | K108-V110 PolarHBondContact O-N 3.4Š| ||
| 109 | R | 40.9 | Very low | 48 | Very low | 242 Ų | 242 | 149.9 Ų | 149.9 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | trans | -83.5 | 112.2 | 168.5 | -73 | -169.5 | 178.8 | -162.1 | -0.8 | 108.4 | K107 S111 | K107-R109 PolarHBondContact O-N 3.39Å; K107-R109 VanDerWaalsContact O-N 3.15Å; R109-S111 PolarHBondContact O-N 3.25Å | ||
| 110 | V | 39.3 | Very low | 49.2 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | trans | -55.3 | 126.5 | 162.8 | 174.3 | 0 | 0 | 0 | 0 | 107.7 | K108 S112 | K108-V110 PolarHBondContact O-N 3.4Å; V110-S112 PolarHBondContact O-N 2.98Å; V110-S112 VanDerWaalsContact O-N 3.12Å | ||
| 111 | S | 43.1 | Very low | 50.4 | Low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | -58.6 | 111.1 | -177.8 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | R109 F113 | R109-S111 PolarHBondContact O-N 3.25Å; S111-F113 PolarHBondContact O-N 2.86Å | ||
| 112 | S | 47.7 | Very low | 51.7 | Low | 113 Ų | 113 | 146.7 Ų | 146.7 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | -61.4 | 130.3 | 169.7 | 53.7 | 0 | 0 | 0 | 0 | 109.9 | V110 R114 | V110-S112 PolarHBondContact O-N 2.98Å; V110-S112 VanDerWaalsContact O-N 3.12Å; S112-R114 PolarHBondContact O-N 3.46Å | ||
| 113 | F | 43.4 | Very low | 53 | Low | 206 Ų | 206 | 143.8 Ų | 143.8 | 90% | 0.904 | 73% | 0.732 | S | S | * | * | trans | -36.5 | 131.3 | 175.9 | -90.8 | -105.2 | 0 | 0 | 0 | 113.7 | S111 G115 | S111-F113 PolarHBondContact O-N 2.86Å; F113-G115 VanDerWaalsContact C-N 3.28Å; F113-G115 PolarHBondContact O-N 2.98Å | ||
| 114 | R | 42.3 | Very low | 54.7 | Low | 235 Ų | 235 | 142.2 Ų | 142.2 | 89% | 0.887 | 72% | 0.716 | S | S | * | * | trans | -69.9 | 82 | 175.1 | -167 | -179.2 | -160.8 | -128.3 | 6.8 | 109.5 | S112 N116 | S112-R114 PolarHBondContact O-N 3.46Å; R114-N116 PolarHBondContact O-N 3.36Å | ||
| 115 | G | 45.8 | Very low | 56.4 | Low | 55 Ų | 55 | 137.1 Ų | 137.1 | 57% | 0.567 | 70% | 0.695 | S | S | * | * | trans | -61.8 | 123.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F113 K117 | F113-G115 VanDerWaalsContact C-N 3.28Å; F113-G115 PolarHBondContact O-N 2.98Å; G115-K117 VanDerWaalsContact C-N 3.28Å; G115-K117 PolarHBondContact O-N 3.04Å | ||
| 116 | N | 58 | Low | 58.4 | Low | 141 Ų | 141 | 134.4 Ų | 134.4 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | trans | -63.7 | 88.6 | 171.3 | -87.2 | -4.3 | 0 | 0 | 0 | 109.4 | R114 I118 | R114-N116 PolarHBondContact O-N 3.36Å; N116-I118 PolarHBondContact O-N 3.3Å | ||
| 117 | K | 60.3 | Low | 60.1 | Low | 200 Ų | 200 | 135.9 Ų | 135.9 | 87% | 0.87 | 68% | 0.676 | S | S | * | * | trans | -75.3 | 81.9 | 167.5 | -65.4 | -178.6 | -177 | -178.9 | 0 | 107.6 | G115 G119 | G115-K117 VanDerWaalsContact C-N 3.28Å; G115-K117 PolarHBondContact O-N 3.04Å; K117-G119 PolarHBondContact O-N 3.43Å | ||
| 118 | I | 61 | Low | 62.4 | Low | 119 Ų | 119 | 134.7 Ų | 134.7 | 61% | 0.61 | 67% | 0.666 | S | S | * | * | trans | -66.5 | 103.9 | 168.5 | -64.9 | 167.8 | 0 | 0 | 0 | 105.8 | N116 D122 V123 | N116-I118 PolarHBondContact O-N 3.3Å; I118-D122 HydrophobicContact CG2-CB 4.06Å; I118-V123 HydrophobicContact CG2-CG2 3.78Å | ||
| 119 | G | 69.8 | Low | 64.2 | Low | 29 Ų | 29 | 128.9 Ų | 128.9 | 30% | 0.299 | 64% | 0.642 | S | S | . | * | trans | -67.8 | 151.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | K117 K121 D122 V123 | K117-G119 PolarHBondContact O-N 3.43Å; G119-K121 PolarHBondContact O-N 2.82Å; G119-D122 PolarHBondContact N-OD2 3.31Å; G119-D122 WeakPolarHBondContact O-CB 3.3Å; G119-D122 PolarHBondContact O-N 3.35Å; G119-V123 PolarHBondContact O-N 2.8Å | ||
| 120 | L | 71.5 | Confident | 66.4 | Low | 92 Ų | 92 | 121 Ų | 121 | 48% | 0.482 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -51 | -32 | 169.9 | 177.8 | 63.9 | 0 | 0 | 0 | 111.5 | D122 V123 I124 | L120-D122 VanDerWaalsContact C-N 3.35Å; L120-D122 PolarHBondContact O-N 3.48Å; L120-V123 PolarHBondContact O-N 3.04Å; L120-I124 HydrophobicContact CD1-CD1 4.15Å; L120-I124 HydrophobicContact CD1-CG1 4.36Å; L120-I124 HydrophobicContact CD2-CD1 4.38Å; L120-I124 HydrophobicContact CG-CD1 3.79Å; L120-I124 HydrophobicContact CG-CG1 4.43Å; L120-I124 WeakPolarHBondContact O-CD1 3.21Å; L120-I124 VanDerWaalsContact O-CG1 3.22Å; L120-I124 WeakPolarHBondContact O-CG1 3.3Å; L120-I124 PolarHBondContact O-N 3.37Å |
| 121 | K | 72.6 | Confident | 68.5 | Low | 171 Ų | 171 | 117.9 Ų | 117.9 | 74% | 0.743 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59.6 | -41.8 | 174 | -66.7 | -178.1 | 178.9 | 179.7 | 0 | 112.3 | G119 I124 T125 | G119-K121 PolarHBondContact O-N 2.82Å; K121-I124 PolarHBondContact O-N 2.92Å; K121-T125 VanDerWaalsContact O-CG2 3.3Å; K121-T125 WeakPolarHBondContact O-CG2 3.4Å; K121-T125 PolarHBondContact O-N 2.89Å; K121-T125 PolarHBondContact O-OG1 3.31Å; K121-T125 VanDerWaalsContact O-OG1 3.13Å |
| 122 | D | 74.8 | Confident | 70.7 | Confident | 87 Ų | 87 | 116.9 Ų | 116.9 | 47% | 0.465 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.3 | -34.9 | -179.2 | -56.5 | -37.5 | 0 | 0 | 0 | 111.9 | I118 G119 L120 T125 L126 | I118-D122 HydrophobicContact CG2-CB 4.06Å; G119-D122 PolarHBondContact N-OD2 3.31Å; G119-D122 WeakPolarHBondContact O-CB 3.3Å; G119-D122 PolarHBondContact O-N 3.35Å; L120-D122 VanDerWaalsContact C-N 3.35Å; L120-D122 PolarHBondContact O-N 3.48Å; D122-T125 WeakPolarHBondContact CA-OG1 3.5Å; D122-T125 PolarHBondContact O-OG1 3.44Å; D122-L126 VanDerWaalsContact O-CB 3.23Å; D122-L126 WeakPolarHBondContact O-CB 3.34Å; D122-L126 PolarHBondContact O-N 2.92Å |
| 123 | V | 76.7 | Confident | 72.7 | Confident | 80 Ų | 80 | 117.2 Ų | 117.2 | 49% | 0.485 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.9 | -41.2 | 174.5 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | I118 G119 L120 L126 R127 | I118-V123 HydrophobicContact CG2-CG2 3.78Å; G119-V123 PolarHBondContact O-N 2.8Å; L120-V123 PolarHBondContact O-N 3.04Å; V123-L126 PolarHBondContact O-N 3.26Å; V123-R127 WeakPolarHBondContact O-CB 3.5Å; V123-R127 PolarHBondContact O-N 2.87Å |
| 124 | I | 79.3 | Confident | 74.9 | Confident | 71 Ų | 71 | 110.9 Ų | 110.9 | 36% | 0.364 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.6 | -41.7 | 178.4 | -67.5 | 166.8 | 0 | 0 | 0 | 111 | L120 K121 R127 R128 | L120-I124 HydrophobicContact CD1-CD1 4.15Å; L120-I124 HydrophobicContact CD1-CG1 4.36Å; L120-I124 HydrophobicContact CD2-CD1 4.38Å; L120-I124 HydrophobicContact CG-CD1 3.79Å; L120-I124 HydrophobicContact CG-CG1 4.43Å; L120-I124 WeakPolarHBondContact O-CD1 3.21Å; L120-I124 VanDerWaalsContact O-CG1 3.22Å; L120-I124 WeakPolarHBondContact O-CG1 3.3Å; L120-I124 PolarHBondContact O-N 3.37Å; K121-I124 PolarHBondContact O-N 2.92Å; I124-R127 PolarHBondContact O-N 3.42Å; I124-R128 WeakPolarHBondContact O-CG 3.26Å; I124-R128 PolarHBondContact O-N 2.78Å |
| 125 | T | 83.7 | Confident | 76.9 | Confident | 83 Ų | 83 | 107.3 Ų | 107.3 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 176.6 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | K121 D122 R127 R128 H129 | K121-T125 VanDerWaalsContact O-CG2 3.3Å; K121-T125 WeakPolarHBondContact O-CG2 3.4Å; K121-T125 PolarHBondContact O-N 2.89Å; K121-T125 PolarHBondContact O-OG1 3.31Å; K121-T125 VanDerWaalsContact O-OG1 3.13Å; D122-T125 WeakPolarHBondContact CA-OG1 3.5Å; D122-T125 PolarHBondContact O-OG1 3.44Å; T125-R127 PolarHBondContact O-N 2.94Å; T125-R128 PolarHBondContact O-N 3.48Å; T125-H129 WeakPolarHBondContact O-CB 3.4Å; T125-H129 PolarHBondContact O-N 3.42Å |
| 126 | L | 80 | Confident | 78.8 | Confident | 110 Ų | 110 | 107 Ų | 107 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.8 | -44.2 | 175.9 | -172 | 66.2 | 0 | 0 | 0 | 111.6 | D122 V123 H129 V130 | D122-L126 VanDerWaalsContact O-CB 3.23Å; D122-L126 WeakPolarHBondContact O-CB 3.34Å; D122-L126 PolarHBondContact O-N 2.92Å; V123-L126 PolarHBondContact O-N 3.26Å; L126-H129 PolarHBondContact O-N 3.17Å; L126-V130 WeakPolarHBondContact O-CG2 3.35Å; L126-V130 PolarHBondContact O-N 2.89Å |
| 127 | R | 86.5 | Confident | 80.1 | Confident | 169 Ų | 169 | 107.9 Ų | 107.9 | 64% | 0.638 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.3 | -49.3 | 175.6 | -178.7 | -177.2 | 168 | -169.7 | -0.4 | 111.5 | V123 I124 T125 H129 V130 E131 | V123-R127 WeakPolarHBondContact O-CB 3.5Å; V123-R127 PolarHBondContact O-N 2.87Å; I124-R127 PolarHBondContact O-N 3.42Å; T125-R127 PolarHBondContact O-N 2.94Å; R127-H129 VanDerWaalsContact C-N 3.29Å; R127-H129 PolarHBondContact O-N 2.87Å; R127-V130 PolarHBondContact O-N 3.46Å; R127-E131 IonicContact CZ-OE1 3.84Å; R127-E131 IonicContact NE-OE1 3.52Å; R127-E131 PolarHBondContact NE-OE1 2.99Å; R127-E131 IonicContact NH2-OE1 2.99Å; R127-E131 PolarHBondContact NH2-OE1 2.88Å; R127-E131 VanDerWaalsContact NH2-OE1 3.15Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 3.2Å |
| 128 | R | 85.8 | Confident | 81.2 | Confident | 172 Ų | 172 | 102.4 Ų | 102.4 | 65% | 0.649 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.7 | -41.2 | 177.8 | -74.9 | 179.4 | 177 | -176.2 | -0.1 | 111.6 | I124 T125 E131 T132 | I124-R128 WeakPolarHBondContact O-CG 3.26Å; I124-R128 PolarHBondContact O-N 2.78Å; T125-R128 PolarHBondContact O-N 3.48Å; R128-E131 PolarHBondContact O-N 3.41Å; R128-T132 WeakPolarHBondContact O-CG2 3.34Å; R128-T132 PolarHBondContact O-N 2.88Å; R128-T132 PolarHBondContact O-OG1 3.34Å |
| 129 | H | 85.1 | Confident | 82.1 | Confident | 88 Ų | 88 | 105.6 Ų | 105.6 | 41% | 0.407 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 178.1 | 171.8 | -102.8 | 0 | 0 | 0 | 113 | T125 L126 R127 T132 K133 | T125-H129 WeakPolarHBondContact O-CB 3.4Å; T125-H129 PolarHBondContact O-N 3.42Å; L126-H129 PolarHBondContact O-N 3.17Å; R127-H129 VanDerWaalsContact C-N 3.29Å; R127-H129 PolarHBondContact O-N 2.87Å; H129-T132 PolarHBondContact O-OG1 2.88Å; H129-K133 VanDerWaalsContact CE1-CE 3.4Å; H129-K133 WeakPolarHBondContact CE1-CE 3.43Å; H129-K133 PolarHBondContact CE1-NZ 3.38Å; H129-K133 VanDerWaalsContact CE1-NZ 3.31Å; H129-K133 WeakPolarHBondContact NE2-CE 3.46Å; H129-K133 PolarHBondContact NE2-NZ 3.01Å; H129-K133 WeakPolarHBondContact O-CG 3.43Å; H129-K133 PolarHBondContact O-N 2.86Å |
| 130 | V | 88.3 | Confident | 82.5 | Confident | 77 Ų | 77 | 111.7 Ų | 111.7 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 174.2 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L126 R127 T132 K133 V134 | L126-V130 WeakPolarHBondContact O-CG2 3.35Å; L126-V130 PolarHBondContact O-N 2.89Å; R127-V130 PolarHBondContact O-N 3.46Å; V130-T132 PolarHBondContact O-N 3.4Å; V130-K133 PolarHBondContact O-N 3.35Å; V130-V134 HydrophobicContact CG1-CG2 4.33Å; V130-V134 WeakPolarHBondContact O-CG2 3.47Å; V130-V134 PolarHBondContact O-N 3.36Å |
| 131 | E | 83.1 | Confident | 82.6 | Confident | 71 Ų | 71 | 116.5 Ų | 116.5 | 33% | 0.332 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 178.2 | -76.4 | -178.5 | -171 | 0 | 0 | 112.2 | R127 R128 V134 R135 | R127-E131 IonicContact CZ-OE1 3.84Å; R127-E131 IonicContact NE-OE1 3.52Å; R127-E131 PolarHBondContact NE-OE1 2.99Å; R127-E131 IonicContact NH2-OE1 2.99Å; R127-E131 PolarHBondContact NH2-OE1 2.88Å; R127-E131 VanDerWaalsContact NH2-OE1 3.15Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 3.2Å; R128-E131 PolarHBondContact O-N 3.41Å; E131-V134 PolarHBondContact O-N 2.9Å; E131-R135 WeakPolarHBondContact O-CB 3.34Å; E131-R135 VanDerWaalsContact O-CG 3.26Å; E131-R135 WeakPolarHBondContact O-CG 3.33Å; E131-R135 PolarHBondContact O-N 3.02Å |
| 132 | T | 89.5 | Confident | 82.5 | Confident | 85 Ų | 85 | 115.6 Ų | 115.6 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 176.3 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | R128 H129 V130 V134 R135 A136 | R128-T132 WeakPolarHBondContact O-CG2 3.34Å; R128-T132 PolarHBondContact O-N 2.88Å; R128-T132 PolarHBondContact O-OG1 3.34Å; H129-T132 PolarHBondContact O-OG1 2.88Å; V130-T132 PolarHBondContact O-N 3.4Å; T132-V134 PolarHBondContact O-N 3.24Å; T132-R135 PolarHBondContact O-N 3.13Å; T132-A136 WeakPolarHBondContact O-CB 3.4Å; T132-A136 PolarHBondContact O-N 3.47Å |
| 133 | K | 88.8 | Confident | 82.3 | Confident | 120 Ų | 120 | 115.4 Ų | 115.4 | 52% | 0.522 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 174.8 | -80.7 | -171.9 | 173.4 | 179.2 | 0 | 112.3 | H129 V130 A136 K137 | H129-K133 VanDerWaalsContact CE1-CE 3.4Å; H129-K133 WeakPolarHBondContact CE1-CE 3.43Å; H129-K133 PolarHBondContact CE1-NZ 3.38Å; H129-K133 VanDerWaalsContact CE1-NZ 3.31Å; H129-K133 WeakPolarHBondContact NE2-CE 3.46Å; H129-K133 PolarHBondContact NE2-NZ 3.01Å; H129-K133 WeakPolarHBondContact O-CG 3.43Å; H129-K133 PolarHBondContact O-N 2.86Å; V130-K133 PolarHBondContact O-N 3.35Å; K133-A136 PolarHBondContact O-N 3.33Å; K133-K137 WeakPolarHBondContact O-CG 3.4Å; K133-K137 PolarHBondContact O-N 2.89Å |
| 134 | V | 90.3 | Very high | 81.5 | Confident | 74 Ų | 74 | 115.2 Ų | 115.2 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.2 | -45.8 | 177.3 | 172 | 0 | 0 | 0 | 0 | 110.7 | V130 E131 T132 A136 K137 I138 | V130-V134 HydrophobicContact CG1-CG2 4.33Å; V130-V134 WeakPolarHBondContact O-CG2 3.47Å; V130-V134 PolarHBondContact O-N 3.36Å; E131-V134 PolarHBondContact O-N 2.9Å; T132-V134 PolarHBondContact O-N 3.24Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 3.01Å; V134-K137 PolarHBondContact O-N 3.46Å; V134-I138 HydrophobicContact CG1-CD1 3.8Å; V134-I138 HydrophobicContact CG1-CG1 4.41Å; V134-I138 WeakPolarHBondContact O-CG1 3.39Å; V134-I138 PolarHBondContact O-N 2.94Å |
| 135 | R | 84.8 | Confident | 80.6 | Confident | 160 Ų | 160 | 115.2 Ų | 115.2 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.3 | -41.6 | 176.1 | -74 | 176.2 | -178.1 | -159.7 | 1.7 | 112.1 | E131 T132 I138 R139 | E131-R135 WeakPolarHBondContact O-CB 3.34Å; E131-R135 VanDerWaalsContact O-CG 3.26Å; E131-R135 WeakPolarHBondContact O-CG 3.33Å; E131-R135 PolarHBondContact O-N 3.02Å; T132-R135 PolarHBondContact O-N 3.13Å; R135-I138 PolarHBondContact O-N 3.03Å; R135-R139 WeakPolarHBondContact O-CB 3.48Å; R135-R139 WeakPolarHBondContact O-CG 3.45Å; R135-R139 PolarHBondContact O-N 3.12Å |
| 136 | A | 85.1 | Confident | 79.4 | Confident | 48 Ų | 48 | 119.5 Ų | 119.5 | 40% | 0.397 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.6 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T132 K133 V134 R139 K140 | T132-A136 WeakPolarHBondContact O-CB 3.4Å; T132-A136 PolarHBondContact O-N 3.47Å; K133-A136 PolarHBondContact O-N 3.33Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 3.01Å; A136-R139 PolarHBondContact O-N 2.87Å; A136-K140 WeakPolarHBondContact O-CB 3.31Å; A136-K140 WeakPolarHBondContact O-CG 3.37Å; A136-K140 PolarHBondContact O-N 3.36Å |
| 137 | K | 84.3 | Confident | 78.3 | Confident | 160 Ų | 160 | 120 Ų | 120 | 70% | 0.696 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.6 | -42.6 | 174 | -77.4 | -178.7 | 177.1 | -176 | 0 | 112.2 | K133 V134 K140 R141 | K133-K137 WeakPolarHBondContact O-CG 3.4Å; K133-K137 PolarHBondContact O-N 2.89Å; V134-K137 PolarHBondContact O-N 3.46Å; K137-K140 PolarHBondContact O-N 3.49Å; K137-R141 WeakPolarHBondContact O-CB 3.49Å; K137-R141 PolarHBondContact O-N 3.23Å |
| 138 | I | 83.7 | Confident | 76.9 | Confident | 85 Ų | 85 | 117.8 Ų | 117.8 | 44% | 0.436 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.8 | -45.2 | 176.6 | -67.7 | 167.6 | 0 | 0 | 0 | 110.8 | V134 R135 R141 K142 | V134-I138 HydrophobicContact CG1-CD1 3.8Å; V134-I138 HydrophobicContact CG1-CG1 4.41Å; V134-I138 WeakPolarHBondContact O-CG1 3.39Å; V134-I138 PolarHBondContact O-N 2.94Å; R135-I138 PolarHBondContact O-N 3.03Å; I138-R141 PolarHBondContact O-N 2.65Å; I138-K142 HydrophobicContact CG2-CD 4.32Å; I138-K142 HydrophobicContact CG2-CG 4.47Å; I138-K142 WeakPolarHBondContact O-CB 3.27Å; I138-K142 WeakPolarHBondContact O-CG 3.44Å; I138-K142 PolarHBondContact O-N 3.43Å |
| 139 | R | 80.2 | Confident | 75.4 | Confident | 186 Ų | 186 | 119.7 Ų | 119.7 | 70% | 0.702 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.5 | -47.7 | 176.3 | -75.2 | 179.7 | 179.4 | 179.3 | -0.9 | 111.4 | R135 A136 R141 K142 V143 | R135-R139 WeakPolarHBondContact O-CB 3.48Å; R135-R139 WeakPolarHBondContact O-CG 3.45Å; R135-R139 PolarHBondContact O-N 3.12Å; A136-R139 PolarHBondContact O-N 2.87Å; R139-R141 PolarHBondContact O-N 2.8Å; R139-K142 PolarHBondContact O-N 3.26Å; R139-V143 WeakPolarHBondContact O-CB 3.29Å; R139-V143 VanDerWaalsContact O-CG2 3.29Å; R139-V143 WeakPolarHBondContact O-CG2 3.36Å; R139-V143 PolarHBondContact O-N 2.92Å |
| 140 | K | 78.1 | Confident | 74 | Confident | 157 Ų | 157 | 122.9 Ų | 122.9 | 68% | 0.683 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -57.3 | -46.3 | 174.8 | -76.2 | -173.1 | 178.3 | -170.2 | 0 | 111.7 | A136 K137 K142 V143 T144 | A136-K140 WeakPolarHBondContact O-CB 3.31Å; A136-K140 WeakPolarHBondContact O-CG 3.37Å; A136-K140 PolarHBondContact O-N 3.36Å; K137-K140 PolarHBondContact O-N 3.49Å; K140-K142 PolarHBondContact O-N 3.06Å; K140-V143 PolarHBondContact O-N 3.42Å; K140-T144 WeakPolarHBondContact O-CG2 3.23Å; K140-T144 PolarHBondContact O-N 2.89Å; K140-T144 PolarHBondContact O-OG1 2.8Å; K140-T144 VanDerWaalsContact O-OG1 3.12Å |
| 141 | R | 73.6 | Confident | 72.4 | Confident | 193 Ų | 193 | 124.8 Ų | 124.8 | 73% | 0.728 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.5 | -40.2 | 177.3 | -169 | 179.2 | -177.8 | -162.6 | 1.4 | 112.7 | K137 I138 R139 T144 T145 | K137-R141 WeakPolarHBondContact O-CB 3.49Å; K137-R141 PolarHBondContact O-N 3.23Å; I138-R141 PolarHBondContact O-N 2.65Å; R139-R141 PolarHBondContact O-N 2.8Å; R141-T144 WeakPolarHBondContact CA-OG1 3.46Å; R141-T144 PolarHBondContact O-OG1 3.07Å; R141-T145 VanDerWaalsContact O-CB 3.27Å; R141-T145 WeakPolarHBondContact O-CB 3.31Å; R141-T145 PolarHBondContact O-N 3.36Å; R141-T145 PolarHBondContact O-OG1 3.44Å |
| 142 | K | 71.7 | Confident | 71.1 | Confident | 151 Ų | 151 | 130.1 Ų | 130.1 | 66% | 0.657 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.9 | -42.8 | 175.3 | -78.1 | -174.2 | 179.1 | -172.8 | 0 | 111.6 | I138 R139 K140 T145 K146 | I138-K142 HydrophobicContact CG2-CD 4.32Å; I138-K142 HydrophobicContact CG2-CG 4.47Å; I138-K142 WeakPolarHBondContact O-CB 3.27Å; I138-K142 WeakPolarHBondContact O-CG 3.44Å; I138-K142 PolarHBondContact O-N 3.43Å; R139-K142 PolarHBondContact O-N 3.26Å; K140-K142 PolarHBondContact O-N 3.06Å; K142-T145 PolarHBondContact O-N 3.08Å; K142-K146 WeakPolarHBondContact O-CB 3.49Å; K142-K146 PolarHBondContact O-N 3.47Å |
| 143 | V | 68.9 | Low | 69.6 | Low | 83 Ų | 83 | 130.8 Ų | 130.8 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.6 | -48.2 | 176.5 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | R139 K140 T145 K146 I147 | R139-V143 WeakPolarHBondContact O-CB 3.29Å; R139-V143 VanDerWaalsContact O-CG2 3.29Å; R139-V143 WeakPolarHBondContact O-CG2 3.36Å; R139-V143 PolarHBondContact O-N 2.92Å; K140-V143 PolarHBondContact O-N 3.42Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.39Å; V143-K146 PolarHBondContact O-N 2.95Å; V143-K146 VanDerWaalsContact O-N 3.14Å; V143-I147 HydrophobicContact CG1-CD1 3.69Å; V143-I147 HydrophobicContact CG1-CG1 4.43Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-I147 PolarHBondContact O-N 3.48Å |
| 144 | T | 60.6 | Low | 68.1 | Low | 77 Ų | 77 | 131.2 Ų | 131.2 | 47% | 0.472 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.6 | -34.4 | 177.5 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | K140 R141 K146 I147 N148 | K140-T144 WeakPolarHBondContact O-CG2 3.23Å; K140-T144 PolarHBondContact O-N 2.89Å; K140-T144 PolarHBondContact O-OG1 2.8Å; K140-T144 VanDerWaalsContact O-OG1 3.12Å; R141-T144 WeakPolarHBondContact CA-OG1 3.46Å; R141-T144 PolarHBondContact O-OG1 3.07Å; T144-K146 VanDerWaalsContact C-N 3.35Å; T144-I147 PolarHBondContact O-N 3.48Å; T144-N148 WeakPolarHBondContact O-CB 3.47Å; T144-N148 PolarHBondContact O-N 3.18Å |
| 145 | T | 60.5 | Low | 66.3 | Low | 70 Ų | 70 | 130 Ų | 130 | 43% | 0.429 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.8 | -33.5 | 174.1 | -55.7 | 0 | 0 | 0 | 0 | 112 | R141 K142 V143 | R141-T145 VanDerWaalsContact O-CB 3.27Å; R141-T145 WeakPolarHBondContact O-CB 3.31Å; R141-T145 PolarHBondContact O-N 3.36Å; R141-T145 PolarHBondContact O-OG1 3.44Å; K142-T145 PolarHBondContact O-N 3.08Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.39Å |
| 146 | K | 57.8 | Low | 64.9 | Low | 173 Ų | 173 | 131.3 Ų | 131.3 | 75% | 0.752 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.8 | -39.9 | 175.7 | -163.8 | 179.8 | -179.3 | -173.8 | 0 | 111.4 | K142 V143 T144 N148 R149 | K142-K146 WeakPolarHBondContact O-CB 3.49Å; K142-K146 PolarHBondContact O-N 3.47Å; V143-K146 PolarHBondContact O-N 2.95Å; V143-K146 VanDerWaalsContact O-N 3.14Å; T144-K146 VanDerWaalsContact C-N 3.35Å; K146-N148 VanDerWaalsContact C-N 3.35Å; K146-R149 PolarHBondContact O-N 3.49Å |
| 147 | I | 58.6 | Low | 63.4 | Low | 122 Ų | 122 | 139.2 Ų | 139.2 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.2 | -38.4 | 175.1 | -65.9 | 167.3 | 0 | 0 | 0 | 110.7 | V143 T144 R149 H150 | V143-I147 HydrophobicContact CG1-CD1 3.69Å; V143-I147 HydrophobicContact CG1-CG1 4.43Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-I147 PolarHBondContact O-N 3.48Å; T144-I147 PolarHBondContact O-N 3.48Å; I147-R149 PolarHBondContact O-N 2.98Å; I147-R149 VanDerWaalsContact O-N 3.17Å; I147-H150 PolarHBondContact O-N 2.89Å |
| 148 | N | 55.3 | Low | 62 | Low | 121 Ų | 121 | 137 Ų | 137 | 65% | 0.647 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 3.2 | 176.7 | -106.4 | -35.8 | 0 | 0 | 0 | 115.6 | T144 K146 | T144-N148 WeakPolarHBondContact O-CB 3.47Å; T144-N148 PolarHBondContact O-N 3.18Å; K146-N148 VanDerWaalsContact C-N 3.35Å |
| 149 | R | 55.8 | Low | 60.8 | Low | 212 Ų | 212 | 136.6 Ų | 136.6 | 80% | 0.8 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -1.6 | 175.4 | -82.1 | -176.9 | -179.4 | -176.7 | -0.4 | 113.9 | K146 I147 | K146-R149 PolarHBondContact O-N 3.49Å; I147-R149 PolarHBondContact O-N 2.98Å; I147-R149 VanDerWaalsContact O-N 3.17Å |
| 150 | H | 54.7 | Low | 60.2 | Low | 155 Ų | 155 | 129.8 Ų | 129.8 | 72% | 0.718 | 62% | 0.623 | S | S | * | * | trans | -105.9 | 10.5 | -178.3 | -140 | -61.8 | 0 | 0 | 0 | 115.1 | I147 K152 | I147-H150 PolarHBondContact O-N 2.89Å; H150-K152 PolarHBondContact O-N 3.14Å | ||
| 151 | D | 54.8 | Low | 60 | Low | 117 Ų | 117 | 131.2 Ų | 131.2 | 63% | 0.626 | 62% | 0.624 | S | S | * | * | trans | -71.7 | 101.6 | 161 | -75.9 | -12.1 | 0 | 0 | 0 | 107.3 | I153 | D151-I153 WeakPolarHBondContact O-CG1 3.46Å; D151-I153 PolarHBondContact O-N 2.85Å | ||
| 152 | K | 55.2 | Low | 60.1 | Low | 184 Ų | 184 | 129.1 Ų | 129.1 | 80% | 0.8 | 62% | 0.62 | S | S | * | * | trans | -55.9 | 96.9 | 161.3 | -85.3 | 178 | 175.9 | 177.2 | 0 | 106.5 | H150 N154 | H150-K152 PolarHBondContact O-N 3.14Å; K152-N154 PolarHBondContact O-N 3.35Å | ||
| 153 | I | 58.1 | Low | 60.2 | Low | 99 Ų | 99 | 127.4 Ų | 127.4 | 51% | 0.508 | 62% | 0.615 | S | S | . | * | trans | -66.3 | 89 | 174 | -65.3 | 165.4 | 0 | 0 | 0 | 105.4 | D151 G155 K158 | D151-I153 WeakPolarHBondContact O-CG1 3.46Å; D151-I153 PolarHBondContact O-N 2.85Å; I153-G155 PolarHBondContact O-N 3.37Å; I153-K158 VanDerWaalsContact CD1-CE 3.45Å; I153-K158 HydrophobicContact CG2-CD 3.4Å; I153-K158 VanDerWaalsContact CG2-CD 3.4Å; I153-K158 HydrophobicContact CG2-CG 3.64Å | ||
| 154 | N | 57.3 | Low | 61.1 | Low | 128 Ų | 128 | 130.2 Ų | 130.2 | 68% | 0.684 | 62% | 0.62 | S | S | * | * | trans | -52.7 | 111.1 | 163.9 | -90.8 | -14.2 | 0 | 0 | 0 | 106.6 | K152 K156 R157 | K152-N154 PolarHBondContact O-N 3.35Å; N154-K156 PolarHBondContact O-N 2.93Å; N154-R157 PolarHBondContact O-N 2.75Å | ||
| 155 | G | 53.8 | Low | 62.4 | Low | 50 Ų | 50 | 131.6 Ų | 131.6 | 52% | 0.515 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -51.1 | -23.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I153 R157 T159 | I153-G155 PolarHBondContact O-N 3.37Å; G155-R157 PolarHBondContact O-N 2.84Å; G155-T159 PolarHBondContact O-N 2.97Å; G155-T159 PolarHBondContact O-OG1 2.88Å; G155-T159 VanDerWaalsContact O-OG1 3.06Å |
| 156 | K | 54.3 | Low | 63.5 | Low | 186 Ų | 186 | 134.5 Ų | 134.5 | 81% | 0.809 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -60.8 | -37.7 | 177.5 | -60.9 | -172.8 | 179.8 | -176.6 | 0 | 114.3 | N154 T159 A160 | N154-K156 PolarHBondContact O-N 2.93Å; K156-T159 PolarHBondContact O-N 2.88Å; K156-A160 PolarHBondContact O-N 3.16Å |
| 157 | R | 54.4 | Low | 65 | Low | 215 Ų | 215 | 132.1 Ų | 132.1 | 81% | 0.811 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75.7 | -30.8 | -175.8 | -159.1 | 176.9 | -172.1 | 176.4 | 3.3 | 112.7 | N154 G155 R161 | N154-R157 PolarHBondContact O-N 2.75Å; G155-R157 PolarHBondContact O-N 2.84Å; R157-R161 PolarHBondContact O-N 3.27Å; R157-R161 VanDerWaalsContact O-N 3.12Å |
| 158 | K | 53.9 | Low | 66.5 | Low | 113 Ų | 113 | 135.4 Ų | 135.4 | 49% | 0.491 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.1 | -38.3 | 174.4 | -81.1 | -172.4 | 177.3 | 168.7 | 0 | 111.5 | I153 R161 K162 | I153-K158 VanDerWaalsContact CD1-CE 3.45Å; I153-K158 HydrophobicContact CG2-CD 3.4Å; I153-K158 VanDerWaalsContact CG2-CD 3.4Å; I153-K158 HydrophobicContact CG2-CG 3.64Å; K158-R161 PolarHBondContact O-N 3.26Å; K158-K162 WeakPolarHBondContact O-CB 3.22Å; K158-K162 WeakPolarHBondContact O-CG 3.37Å; K158-K162 PolarHBondContact O-N 3.44Å |
| 159 | T | 59.4 | Low | 68.1 | Low | 76 Ų | 76 | 132.2 Ų | 132.2 | 47% | 0.466 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.2 | -45.1 | 177.4 | -41.7 | 0 | 0 | 0 | 0 | 111.2 | G155 K156 R161 K162 Q163 | G155-T159 PolarHBondContact O-N 2.97Å; G155-T159 PolarHBondContact O-OG1 2.88Å; G155-T159 VanDerWaalsContact O-OG1 3.06Å; K156-T159 PolarHBondContact O-N 2.88Å; T159-R161 PolarHBondContact O-N 3.34Å; T159-K162 PolarHBondContact O-N 3.26Å; T159-Q163 WeakPolarHBondContact O-CB 3.4Å; T159-Q163 WeakPolarHBondContact O-CG 3.32Å; T159-Q163 PolarHBondContact O-N 3.48Å |
| 160 | A | 68.1 | Low | 69.8 | Low | 44 Ų | 44 | 126.3 Ų | 126.3 | 36% | 0.364 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.1 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K156 K164 | K156-A160 PolarHBondContact O-N 3.16Å; A160-K164 WeakPolarHBondContact O-CB 3.41Å; A160-K164 WeakPolarHBondContact O-CG 3.37Å; A160-K164 PolarHBondContact O-N 3.29Å |
| 161 | R | 73.3 | Confident | 71.6 | Confident | 186 Ų | 186 | 123.8 Ų | 123.8 | 70% | 0.702 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.7 | -39.7 | 176.5 | -168 | 178.4 | 176.8 | 174.3 | -0.2 | 111.9 | R157 K158 T159 K164 M165 | R157-R161 PolarHBondContact O-N 3.27Å; R157-R161 VanDerWaalsContact O-N 3.12Å; K158-R161 PolarHBondContact O-N 3.26Å; T159-R161 PolarHBondContact O-N 3.34Å; R161-K164 PolarHBondContact O-N 2.94Å; R161-M165 HydrophobicContact CG-CE 4.24Å; R161-M165 WeakPolarHBondContact O-CG 3.24Å; R161-M165 PolarHBondContact O-N 3.21Å |
| 162 | K | 74.9 | Confident | 73.3 | Confident | 149 Ų | 149 | 123.6 Ų | 123.6 | 65% | 0.648 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.9 | -44.3 | 174.3 | -79.5 | -175.7 | 175 | -171 | 0 | 111.7 | K158 T159 K164 M165 F166 | K158-K162 WeakPolarHBondContact O-CB 3.22Å; K158-K162 WeakPolarHBondContact O-CG 3.37Å; K158-K162 PolarHBondContact O-N 3.44Å; T159-K162 PolarHBondContact O-N 3.26Å; K162-K164 PolarHBondContact O-N 3.41Å; K162-M165 HydrophobicContact CG-CE 4.27Å; K162-M165 PolarHBondContact O-N 2.95Å; K162-F166 WeakPolarHBondContact O-CB 3Å; K162-F166 PolarHBondContact O-N 3.5Å |
| 163 | Q | 74.4 | Confident | 74.8 | Confident | 116 Ų | 116 | 123.1 Ų | 123.1 | 54% | 0.542 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.6 | -44.1 | 175 | -76.6 | 173.5 | -18.2 | 0 | 0 | 111.8 | T159 M165 F166 Q167 | T159-Q163 WeakPolarHBondContact O-CB 3.4Å; T159-Q163 WeakPolarHBondContact O-CG 3.32Å; T159-Q163 PolarHBondContact O-N 3.48Å; Q163-M165 VanDerWaalsContact C-N 3.35Å; Q163-M165 PolarHBondContact O-N 3.17Å; Q163-F166 PolarHBondContact O-N 3.26Å; Q163-Q167 WeakPolarHBondContact O-CB 3.3Å; Q163-Q167 WeakPolarHBondContact O-CG 3.29Å; Q163-Q167 PolarHBondContact O-N 3.34Å |
| 164 | K | 87.2 | Confident | 76.1 | Confident | 141 Ų | 141 | 126.4 Ų | 126.4 | 61% | 0.613 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.2 | -38.8 | 174.5 | -75.8 | -177.7 | 179.4 | -172.1 | 0 | 113 | A160 R161 K162 R168 | A160-K164 WeakPolarHBondContact O-CB 3.41Å; A160-K164 WeakPolarHBondContact O-CG 3.37Å; A160-K164 PolarHBondContact O-N 3.29Å; R161-K164 PolarHBondContact O-N 2.94Å; K162-K164 PolarHBondContact O-N 3.41Å; K164-R168 WeakPolarHBondContact O-CB 3.47Å; K164-R168 WeakPolarHBondContact O-CG 3.49Å; K164-R168 PolarHBondContact O-N 3.47Å |
| 165 | M | 88.4 | Confident | 77.5 | Confident | 106 Ų | 106 | 127.6 Ų | 127.6 | 52% | 0.522 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.5 | -38.9 | 175.2 | -73 | -175.8 | -62.2 | 0 | 0 | 111.7 | R161 K162 Q163 R168 A169 | R161-M165 HydrophobicContact CG-CE 4.24Å; R161-M165 WeakPolarHBondContact O-CG 3.24Å; R161-M165 PolarHBondContact O-N 3.21Å; K162-M165 HydrophobicContact CG-CE 4.27Å; K162-M165 PolarHBondContact O-N 2.95Å; Q163-M165 VanDerWaalsContact C-N 3.35Å; Q163-M165 PolarHBondContact O-N 3.17Å; M165-R168 PolarHBondContact O-N 3.42Å; M165-A169 WeakPolarHBondContact O-CB 3.34Å; M165-A169 PolarHBondContact O-N 3.35Å |
| 166 | F | 84.3 | Confident | 78.9 | Confident | 131 Ų | 131 | 128 Ų | 128 | 58% | 0.575 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.4 | -45 | 176.3 | -173.2 | -103.5 | 0 | 0 | 0 | 112 | K162 Q163 R168 A169 Q170 | K162-F166 WeakPolarHBondContact O-CB 3Å; K162-F166 PolarHBondContact O-N 3.5Å; Q163-F166 PolarHBondContact O-N 3.26Å; F166-R168 PolarHBondContact O-N 3.22Å; F166-A169 PolarHBondContact O-N 3.08Å; F166-Q170 HydrophobicContact CD1-CG 4.44Å; F166-Q170 VanDerWaalsContact CE1-CD 3.49Å; F166-Q170 HydrophobicContact CE1-CG 4.18Å; F166-Q170 HydrophobicContact CZ-CG 4.4Å; F166-Q170 WeakPolarHBondContact O-CG 3.29Å; F166-Q170 PolarHBondContact O-N 3.5Å |
| 167 | Q | 88.4 | Confident | 80 | Confident | 123 Ų | 123 | 123.1 Ų | 123.1 | 58% | 0.575 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.4 | -45 | 173.3 | -74.9 | 175.7 | -14.7 | 0 | 0 | 111.7 | Q163 A169 Q170 E171 | Q163-Q167 WeakPolarHBondContact O-CB 3.3Å; Q163-Q167 WeakPolarHBondContact O-CG 3.29Å; Q163-Q167 PolarHBondContact O-N 3.34Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 3.18Å; Q167-Q170 PolarHBondContact O-N 3.44Å; Q167-E171 PolarHBondContact O-N 2.97Å |
| 168 | R | 91.6 | Very high | 81.4 | Confident | 191 Ų | 191 | 116.7 Ų | 116.7 | 72% | 0.721 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.2 | -39.9 | 175.4 | -78.6 | -178.1 | 179.2 | -168.9 | -1.6 | 112.9 | K164 M165 F166 E171 L172 | K164-R168 WeakPolarHBondContact O-CB 3.47Å; K164-R168 WeakPolarHBondContact O-CG 3.49Å; K164-R168 PolarHBondContact O-N 3.47Å; M165-R168 PolarHBondContact O-N 3.42Å; F166-R168 PolarHBondContact O-N 3.22Å; R168-E171 PolarHBondContact O-N 3.43Å; R168-L172 WeakPolarHBondContact O-CG 3.45Å; R168-L172 PolarHBondContact O-N 3.34Å |
| 169 | A | 88.8 | Confident | 82.3 | Confident | 55 Ų | 55 | 118 Ų | 118 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M165 F166 Q167 L172 R173 | M165-A169 WeakPolarHBondContact O-CB 3.34Å; M165-A169 PolarHBondContact O-N 3.35Å; F166-A169 PolarHBondContact O-N 3.08Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 3.18Å; A169-L172 PolarHBondContact O-N 3.39Å; A169-R173 WeakPolarHBondContact O-CB 3.25Å; A169-R173 PolarHBondContact O-N 3.22Å |
| 170 | Q | 90.7 | Very high | 82.8 | Confident | 88 Ų | 88 | 120 Ų | 120 | 41% | 0.411 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 173.9 | -74.6 | -174.3 | -29.8 | 0 | 0 | 112.1 | F166 Q167 R173 R174 | F166-Q170 HydrophobicContact CD1-CG 4.44Å; F166-Q170 VanDerWaalsContact CE1-CD 3.49Å; F166-Q170 HydrophobicContact CE1-CG 4.18Å; F166-Q170 HydrophobicContact CZ-CG 4.4Å; F166-Q170 WeakPolarHBondContact O-CG 3.29Å; F166-Q170 PolarHBondContact O-N 3.5Å; Q167-Q170 PolarHBondContact O-N 3.44Å; Q170-R173 WeakPolarHBondContact O-CB 3.47Å; Q170-R173 PolarHBondContact O-N 3.34Å; Q170-R174 WeakPolarHBondContact O-CG 3.38Å; Q170-R174 PolarHBondContact O-N 3.41Å |
| 171 | E | 91.9 | Very high | 82.7 | Confident | 101 Ų | 101 | 122.5 Ų | 122.5 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.5 | -39.8 | 177.9 | -171 | 162.2 | 164 | 0 | 0 | 112.6 | Q167 R168 R173 R174 R175 | Q167-E171 PolarHBondContact O-N 2.97Å; R168-E171 PolarHBondContact O-N 3.43Å; E171-R173 VanDerWaalsContact C-N 3.29Å; E171-R173 PolarHBondContact O-N 3.43Å; E171-R174 PolarHBondContact O-N 2.86Å; E171-R175 WeakPolarHBondContact O-CG 3.46Å; E171-R175 PolarHBondContact O-N 3.5Å; E171-R175 IonicContact OE1-CZ 3.97Å; E171-R175 IonicContact OE1-NE 3.42Å; E171-R175 IonicContact OE1-NH2 3.15Å; E171-R175 PolarHBondContact OE1-NH2 2.93Å |
| 172 | L | 91.3 | Very high | 82.5 | Confident | 113 Ų | 113 | 119.1 Ų | 119.1 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.8 | -39.7 | 171.7 | -74.2 | 172.6 | 0 | 0 | 0 | 111.8 | R168 A169 R175 A176 | R168-L172 WeakPolarHBondContact O-CG 3.45Å; R168-L172 PolarHBondContact O-N 3.34Å; A169-L172 PolarHBondContact O-N 3.39Å; L172-R175 PolarHBondContact O-N 2.92Å; L172-A176 WeakPolarHBondContact O-CB 3.3Å; L172-A176 PolarHBondContact O-N 3.24Å |
| 173 | R | 85.8 | Confident | 82.3 | Confident | 174 Ų | 174 | 118.5 Ų | 118.5 | 66% | 0.657 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.8 | -47 | 174.6 | -177.7 | 179.4 | 172.2 | 164.3 | 2.8 | 111.5 | A169 Q170 E171 R175 A176 E177 | A169-R173 WeakPolarHBondContact O-CB 3.25Å; A169-R173 PolarHBondContact O-N 3.22Å; Q170-R173 WeakPolarHBondContact O-CB 3.47Å; Q170-R173 PolarHBondContact O-N 3.34Å; E171-R173 VanDerWaalsContact C-N 3.29Å; E171-R173 PolarHBondContact O-N 3.43Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 2.96Å; R173-A176 PolarHBondContact O-N 3.21Å; R173-E177 WeakPolarHBondContact CG-OE1 3.4Å; R173-E177 IonicContact CZ-OE1 3.57Å; R173-E177 IonicContact NE-OE1 2.76Å; R173-E177 PolarHBondContact NE-OE1 3.33Å; R173-E177 IonicContact NH2-OE1 3.69Å; R173-E177 WeakPolarHBondContact O-CG 3.42Å; R173-E177 PolarHBondContact O-N 3.4Å |
| 174 | R | 86.4 | Confident | 81.9 | Confident | 169 Ų | 169 | 114.5 Ų | 114.5 | 64% | 0.638 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.5 | -44.6 | 175.9 | -72.4 | 179.9 | -178.1 | 178.1 | 0.3 | 111.8 | Q170 E171 A176 E177 D178 | Q170-R174 WeakPolarHBondContact O-CG 3.38Å; Q170-R174 PolarHBondContact O-N 3.41Å; E171-R174 PolarHBondContact O-N 2.86Å; R174-A176 VanDerWaalsContact C-N 3.33Å; R174-A176 PolarHBondContact O-N 2.93Å; R174-E177 PolarHBondContact O-N 3.46Å; R174-D178 WeakPolarHBondContact O-CB 3.45Å; R174-D178 VanDerWaalsContact O-CG 3.27Å; R174-D178 PolarHBondContact O-N 3.43Å |
| 175 | R | 86.1 | Confident | 81.1 | Confident | 152 Ų | 152 | 111.1 Ų | 111.1 | 57% | 0.574 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.4 | -37.9 | 176 | -71.7 | -177.6 | -168.6 | 174.5 | 4.1 | 113 | E171 L172 R173 D178 Y179 | E171-R175 WeakPolarHBondContact O-CG 3.46Å; E171-R175 PolarHBondContact O-N 3.5Å; E171-R175 IonicContact OE1-CZ 3.97Å; E171-R175 IonicContact OE1-NE 3.42Å; E171-R175 IonicContact OE1-NH2 3.15Å; E171-R175 PolarHBondContact OE1-NH2 2.93Å; L172-R175 PolarHBondContact O-N 2.92Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 2.96Å; R175-D178 PolarHBondContact O-N 2.99Å; R175-Y179 VanDerWaalsContact O-CB 3.28Å; R175-Y179 WeakPolarHBondContact O-CB 3.35Å; R175-Y179 PolarHBondContact O-N 2.99Å |
| 176 | A | 82.6 | Confident | 80.1 | Confident | 60 Ų | 60 | 111 Ų | 111 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L172 R173 R174 Y179 H180 | L172-A176 WeakPolarHBondContact O-CB 3.3Å; L172-A176 PolarHBondContact O-N 3.24Å; R173-A176 PolarHBondContact O-N 3.21Å; R174-A176 VanDerWaalsContact C-N 3.33Å; R174-A176 PolarHBondContact O-N 2.93Å; A176-Y179 PolarHBondContact O-N 3.39Å; A176-H180 WeakPolarHBondContact O-CB 3.47Å; A176-H180 PolarHBondContact O-N 3.45Å |
| 177 | E | 78.9 | Confident | 79.2 | Confident | 83 Ų | 83 | 109 Ų | 109 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 174.4 | -72.2 | 172.9 | -165.7 | 0 | 0 | 111.2 | R173 R174 H180 K181 | R173-E177 WeakPolarHBondContact CG-OE1 3.4Å; R173-E177 IonicContact CZ-OE1 3.57Å; R173-E177 IonicContact NE-OE1 2.76Å; R173-E177 PolarHBondContact NE-OE1 3.33Å; R173-E177 IonicContact NH2-OE1 3.69Å; R173-E177 WeakPolarHBondContact O-CG 3.42Å; R173-E177 PolarHBondContact O-N 3.4Å; R174-E177 PolarHBondContact O-N 3.46Å; E177-H180 PolarHBondContact O-N 3.23Å; E177-K181 VanDerWaalsContact O-CG 3.3Å; E177-K181 WeakPolarHBondContact O-CG 3.28Å; E177-K181 PolarHBondContact O-N 2.96Å |
| 178 | D | 82.5 | Confident | 78.1 | Confident | 79 Ų | 79 | 104.9 Ų | 104.9 | 42% | 0.422 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 177.1 | -68.4 | -22.9 | 0 | 0 | 0 | 112 | R174 R175 H180 K181 C182 | R174-D178 WeakPolarHBondContact O-CB 3.45Å; R174-D178 VanDerWaalsContact O-CG 3.27Å; R174-D178 PolarHBondContact O-N 3.43Å; R175-D178 PolarHBondContact O-N 2.99Å; D178-H180 VanDerWaalsContact C-N 3.32Å; D178-H180 PolarHBondContact O-N 2.9Å; D178-K181 WeakPolarHBondContact O-CB 3.48Å; D178-K181 PolarHBondContact O-N 3.01Å; D178-K181 IonicContact OD1-NZ 3.64Å; D178-C182 WeakPolarHBondContact O-CB 3.41Å; D178-C182 PolarHBondContact O-N 3.37Å; D178-C182 PolarHBondContact O-SG 3.05Å |
| 179 | Y | 73.3 | Confident | 76.9 | Confident | 142 Ų | 142 | 100.2 Ų | 100.2 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.1 | -41.9 | 172 | -177.1 | -101.3 | 0 | 0 | 0 | 112.1 | R175 A176 C182 K183 | R175-Y179 VanDerWaalsContact O-CB 3.28Å; R175-Y179 WeakPolarHBondContact O-CB 3.35Å; R175-Y179 PolarHBondContact O-N 2.99Å; A176-Y179 PolarHBondContact O-N 3.39Å; Y179-C182 PolarHBondContact O-N 2.84Å; Y179-K183 HydrophobicContact CD1-CD 4.18Å; Y179-K183 HydrophobicContact CE1-CD 3.52Å; Y179-K183 HydrophobicContact CE1-CG 4.3Å; Y179-K183 HydrophobicContact CE2-CD 4.48Å; Y179-K183 WeakPolarHBondContact O-CB 3.37Å; Y179-K183 PolarHBondContact O-N 3.45Å; Y179-K183 WeakPolarHBondContact OH-CE 3.34Å; Y179-K183 PolarHBondContact OH-NZ 3.03Å |
| 180 | H | 69.4 | Low | 75.9 | Confident | 118 Ų | 118 | 104.7 Ų | 104.7 | 55% | 0.546 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 176.1 | -169.5 | 70 | 0 | 0 | 0 | 111.9 | A176 E177 D178 K183 I184 | A176-H180 WeakPolarHBondContact O-CB 3.47Å; A176-H180 PolarHBondContact O-N 3.45Å; E177-H180 PolarHBondContact O-N 3.23Å; D178-H180 VanDerWaalsContact C-N 3.32Å; D178-H180 PolarHBondContact O-N 2.9Å; H180-K183 PolarHBondContact O-N 3.45Å; H180-I184 WeakPolarHBondContact CE1-CD1 3.35Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.46Å; H180-I184 PolarHBondContact O-N 2.74Å |
| 181 | K | 67.3 | Low | 74.9 | Confident | 96 Ų | 96 | 103.4 Ų | 103.4 | 42% | 0.417 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 171.9 | -71.5 | 171.8 | -169.5 | 165.6 | 0 | 111.1 | E177 D178 K183 I184 R189 | E177-K181 VanDerWaalsContact O-CG 3.3Å; E177-K181 WeakPolarHBondContact O-CG 3.28Å; E177-K181 PolarHBondContact O-N 2.96Å; D178-K181 WeakPolarHBondContact O-CB 3.48Å; D178-K181 PolarHBondContact O-N 3.01Å; D178-K181 IonicContact OD1-NZ 3.64Å; K181-K183 VanDerWaalsContact C-N 3.32Å; K181-K183 PolarHBondContact O-N 2.77Å; K181-I184 PolarHBondContact O-N 2.91Å; K181-I184 VanDerWaalsContact O-O 3.05Å; K181-R189 VanDerWaalsContact C-NH2 3.29Å; K181-R189 PolarHBondContact O-NH2 2.98Å |
| 182 | C | 68.1 | Low | 73.7 | Confident | 115 Ų | 115 | 103.2 Ų | 103.2 | 78% | 0.777 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.6 | -28.5 | -179.1 | -66.8 | 0 | 0 | 0 | 0 | 113.2 | D178 Y179 | D178-C182 WeakPolarHBondContact O-CB 3.41Å; D178-C182 PolarHBondContact O-N 3.37Å; D178-C182 PolarHBondContact O-SG 3.05Å; Y179-C182 PolarHBondContact O-N 2.84Å |
| 183 | K | 71.1 | Confident | 72.5 | Confident | 136 Ų | 136 | 101.6 Ų | 101.6 | 59% | 0.591 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -80.3 | -26.3 | 177.9 | -87.4 | -165.7 | 162.6 | -177.9 | 0 | 114.8 | Y179 H180 K181 | Y179-K183 HydrophobicContact CD1-CD 4.18Å; Y179-K183 HydrophobicContact CE1-CD 3.52Å; Y179-K183 HydrophobicContact CE1-CG 4.3Å; Y179-K183 HydrophobicContact CE2-CD 4.48Å; Y179-K183 WeakPolarHBondContact O-CB 3.37Å; Y179-K183 PolarHBondContact O-N 3.45Å; Y179-K183 WeakPolarHBondContact OH-CE 3.34Å; Y179-K183 PolarHBondContact OH-NZ 3.03Å; H180-K183 PolarHBondContact O-N 3.45Å; K181-K183 VanDerWaalsContact C-N 3.32Å; K181-K183 PolarHBondContact O-N 2.77Å |
| 184 | I | 66 | Low | 71.9 | Confident | 31 Ų | 31 | 97.4 Ų | 97.4 | 16% | 0.159 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -105.8 | 114 | -178.8 | -53.9 | -176.1 | 0 | 0 | 0 | 109.4 | H180 K181 A188 R189 | H180-I184 WeakPolarHBondContact CE1-CD1 3.35Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.46Å; H180-I184 PolarHBondContact O-N 2.74Å; K181-I184 PolarHBondContact O-N 2.91Å; K181-I184 VanDerWaalsContact O-O 3.05Å; I184-A188 HydrophobicContact CG2-CB 3.69Å; I184-R189 HydrophobicContact CB-CG 3.98Å; I184-R189 HydrophobicContact CG2-CB 4.47Å; I184-R189 HydrophobicContact CG2-CG 3.46Å; I184-R189 VanDerWaalsContact CG2-CG 3.46Å; I184-R189 PolarHBondContact O-NE 2.81Å; I184-R189 VanDerWaalsContact O-NE 3.08Å; I184-R189 PolarHBondContact O-NH2 3.04Å |
| 185 | P | 70.7 | Confident | 71.2 | Confident | 71 Ų | 71 | 98 Ų | 98 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | trans | -59.4 | 145.7 | 177.2 | 23.5 | -30.5 | 0 | 0 | 0 | 109.8 | S187 A188 R189 | P185-S187 PolarHBondContact O-N 2.64Å; P185-A188 HydrophobicContact CG-CB 3.78Å; P185-A188 PolarHBondContact O-N 3.27Å; P185-R189 PolarHBondContact O-N 2.84Å | ||
| 186 | P | 66.7 | Low | 70.4 | Confident | 103 Ų | 103 | 94.6 Ų | 94.6 | 67% | 0.669 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -52 | -33.9 | -176.4 | -28.2 | 34.6 | 0 | 0 | 0 | 114 | R189 K190 | P186-R189 PolarHBondContact O-N 2.84Å; P186-K190 PolarHBondContact O-N 3.27Å |
| 187 | S | 66 | Low | 69.7 | Low | 90 Ų | 90 | 101 Ų | 101 | 63% | 0.629 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.1 | -44.1 | 175.2 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | P185 R189 K190 A191 | P185-S187 PolarHBondContact O-N 2.64Å; S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact O-N 2.92Å; S187-K190 PolarHBondContact O-N 2.94Å; S187-A191 PolarHBondContact O-N 3.36Å |
| 188 | A | 65.6 | Low | 69.1 | Low | 36 Ų | 36 | 102.9 Ų | 102.9 | 30% | 0.298 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.4 | -30.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I184 P185 K190 A191 L192 | I184-A188 HydrophobicContact CG2-CB 3.69Å; P185-A188 HydrophobicContact CG-CB 3.78Å; P185-A188 PolarHBondContact O-N 3.27Å; A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 3.47Å; A188-A191 PolarHBondContact O-N 2.91Å; A188-L192 WeakPolarHBondContact O-CB 3.44Å; A188-L192 PolarHBondContact O-N 3.47Å |
| 189 | R | 66.1 | Low | 68.1 | Low | 92 Ų | 92 | 100.7 Ų | 100.7 | 35% | 0.347 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 172.8 | -60.1 | -171.3 | -147.9 | 158.8 | 11.6 | 111.9 | K181 I184 P185 P186 S187 L192 C193 | K181-R189 VanDerWaalsContact C-NH2 3.29Å; K181-R189 PolarHBondContact O-NH2 2.98Å; I184-R189 HydrophobicContact CB-CG 3.98Å; I184-R189 HydrophobicContact CG2-CB 4.47Å; I184-R189 HydrophobicContact CG2-CG 3.46Å; I184-R189 VanDerWaalsContact CG2-CG 3.46Å; I184-R189 PolarHBondContact O-NE 2.81Å; I184-R189 VanDerWaalsContact O-NE 3.08Å; I184-R189 PolarHBondContact O-NH2 3.04Å; P185-R189 PolarHBondContact O-N 2.84Å; P186-R189 PolarHBondContact O-N 2.84Å; S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact O-N 2.92Å; R189-L192 PolarHBondContact O-N 3.4Å; R189-C193 WeakPolarHBondContact O-CB 3.5Å; R189-C193 PolarHBondContact O-N 3.03Å; R189-C193 PolarHBondContact O-SG 3.2Å; R189-C193 VanDerWaalsContact O-SG 3.39Å |
| 190 | K | 68.1 | Low | 67.5 | Low | 150 Ų | 150 | 96.1 Ų | 96.1 | 65% | 0.652 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66 | -41.9 | 177.7 | -162.8 | 175.8 | -176.4 | -178.1 | 0 | 111.2 | P186 S187 A188 N194 | P186-K190 PolarHBondContact O-N 3.27Å; S187-K190 PolarHBondContact O-N 2.94Å; A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 3.47Å; K190-N194 WeakPolarHBondContact O-CB 3.45Å; K190-N194 VanDerWaalsContact O-CG 3.24Å; K190-N194 PolarHBondContact O-N 2.76Å |
| 191 | A | 69 | Low | 67 | Low | 61 Ų | 61 | 92.3 Ų | 92.3 | 50% | 0.504 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S187 A188 N194 W195 | S187-A191 PolarHBondContact O-N 3.36Å; A188-A191 PolarHBondContact O-N 2.91Å; A191-N194 PolarHBondContact O-N 3.27Å; A191-W195 WeakPolarHBondContact O-CB 3.48Å; A191-W195 PolarHBondContact O-N 2.92Å |
| 192 | L | 67.3 | Low | 66.5 | Low | 96 Ų | 96 | 94.5 Ų | 94.5 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 179 | -133.7 | 132.4 | 0 | 0 | 0 | 112.2 | A188 R189 W195 V196 | A188-L192 WeakPolarHBondContact O-CB 3.44Å; A188-L192 PolarHBondContact O-N 3.47Å; R189-L192 PolarHBondContact O-N 3.4Å; L192-W195 PolarHBondContact O-N 2.87Å; L192-V196 WeakPolarHBondContact O-CB 3.42Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.36Å; L192-V196 PolarHBondContact O-N 3.43Å |
| 193 | C | 66.5 | Low | 65.7 | Low | 79 Ų | 79 | 96.3 Ų | 96.3 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 173.9 | -75.5 | 0 | 0 | 0 | 0 | 112.2 | R189 R197 | R189-C193 WeakPolarHBondContact O-CB 3.5Å; R189-C193 PolarHBondContact O-N 3.03Å; R189-C193 PolarHBondContact O-SG 3.2Å; R189-C193 VanDerWaalsContact O-SG 3.39Å; C193-R197 WeakPolarHBondContact O-CB 3.45Å; C193-R197 WeakPolarHBondContact O-CG 3.48Å; C193-R197 PolarHBondContact O-N 3.22Å |
| 194 | N | 72.6 | Confident | 64.6 | Low | 87 Ų | 87 | 98.8 Ų | 98.8 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 174.9 | -77.2 | -6.5 | 0 | 0 | 0 | 111.3 | K190 A191 R197 M198 | K190-N194 WeakPolarHBondContact O-CB 3.45Å; K190-N194 VanDerWaalsContact O-CG 3.24Å; K190-N194 PolarHBondContact O-N 2.76Å; A191-N194 PolarHBondContact O-N 3.27Å; N194-R197 PolarHBondContact O-N 2.99Å; N194-M198 WeakPolarHBondContact O-CB 3.45Å; N194-M198 VanDerWaalsContact O-CG 3.3Å; N194-M198 WeakPolarHBondContact O-CG 3.43Å; N194-M198 PolarHBondContact O-N 3.5Å |
| 195 | W | 70.8 | Confident | 63.9 | Low | 181 Ų | 181 | 105.1 Ų | 105.1 | 69% | 0.686 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.9 | -43.2 | 176 | -176.1 | 70.8 | 0 | 0 | 0 | 112.1 | A191 L192 R197 M198 A199 | A191-W195 WeakPolarHBondContact O-CB 3.48Å; A191-W195 PolarHBondContact O-N 2.92Å; L192-W195 PolarHBondContact O-N 2.87Å; W195-R197 VanDerWaalsContact C-N 3.33Å; W195-R197 PolarHBondContact O-N 3.23Å; W195-M198 PolarHBondContact O-N 2.86Å; W195-A199 VanDerWaalsContact O-CB 3.31Å; W195-A199 WeakPolarHBondContact O-CB 3.4Å; W195-A199 PolarHBondContact O-N 3.3Å |
| 196 | V | 70.9 | Confident | 63 | Low | 80 Ų | 80 | 107 Ų | 107 | 49% | 0.485 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63 | -38.1 | 174 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | L192 A200 | L192-V196 WeakPolarHBondContact O-CB 3.42Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.36Å; L192-V196 PolarHBondContact O-N 3.43Å; V196-A200 WeakPolarHBondContact O-CB 3.49Å; V196-A200 PolarHBondContact O-N 2.94Å |
| 197 | R | 67.9 | Low | 62.4 | Low | 194 Ų | 194 | 105 Ų | 105 | 73% | 0.732 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.2 | -41 | 174.3 | -76.6 | 179.6 | 87.1 | 157.5 | 5.2 | 112.3 | C193 N194 W195 A200 A201 | C193-R197 WeakPolarHBondContact O-CB 3.45Å; C193-R197 WeakPolarHBondContact O-CG 3.48Å; C193-R197 PolarHBondContact O-N 3.22Å; N194-R197 PolarHBondContact O-N 2.99Å; W195-R197 VanDerWaalsContact C-N 3.33Å; W195-R197 PolarHBondContact O-N 3.23Å; R197-A200 PolarHBondContact O-N 3.22Å; R197-A201 WeakPolarHBondContact O-CB 3.3Å; R197-A201 PolarHBondContact O-N 3.49Å |
| 198 | M | 65.4 | Low | 61.7 | Low | 124 Ų | 124 | 104.2 Ų | 104.2 | 61% | 0.611 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.2 | -47.4 | 176.6 | -73.5 | -59.9 | -61.7 | 0 | 0 | 111.1 | N194 W195 A200 A201 E202 | N194-M198 WeakPolarHBondContact O-CB 3.45Å; N194-M198 VanDerWaalsContact O-CG 3.3Å; N194-M198 WeakPolarHBondContact O-CG 3.43Å; N194-M198 PolarHBondContact O-N 3.5Å; W195-M198 PolarHBondContact O-N 2.86Å; M198-A200 VanDerWaalsContact C-N 3.3Å; M198-A200 PolarHBondContact O-N 3.45Å; M198-A201 CarbonylContact O-C 3.59Å; M198-A201 WeakPolarHBondContact O-CB 3.5Å; M198-A201 PolarHBondContact O-N 2.97Å; M198-A201 VanDerWaalsContact O-N 3.07Å; M198-E202 VanDerWaalsContact O-CB 3.31Å; M198-E202 WeakPolarHBondContact O-CB 3.37Å; M198-E202 PolarHBondContact O-N 2.84Å |
| 199 | A | 61.8 | Low | 60.9 | Low | 33 Ų | 33 | 108.9 Ų | 108.9 | 27% | 0.273 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W195 E202 H203 | W195-A199 VanDerWaalsContact O-CB 3.31Å; W195-A199 WeakPolarHBondContact O-CB 3.4Å; W195-A199 PolarHBondContact O-N 3.3Å; A199-E202 PolarHBondContact O-N 3.06Å; A199-H203 WeakPolarHBondContact O-CB 3.35Å; A199-H203 PolarHBondContact O-N 3.46Å |
| 200 | A | 59.4 | Low | 59.8 | Low | 46 Ų | 46 | 109.6 Ų | 109.6 | 38% | 0.38 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.9 | -31.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V196 R197 M198 R204 | V196-A200 WeakPolarHBondContact O-CB 3.49Å; V196-A200 PolarHBondContact O-N 2.94Å; R197-A200 PolarHBondContact O-N 3.22Å; M198-A200 VanDerWaalsContact C-N 3.3Å; M198-A200 PolarHBondContact O-N 3.45Å; A200-R204 WeakPolarHBondContact O-CB 3.33Å; A200-R204 WeakPolarHBondContact O-CD 3.31Å; A200-R204 VanDerWaalsContact O-CG 3.23Å; A200-R204 WeakPolarHBondContact O-CG 3.4Å; A200-R204 PolarHBondContact O-N 3.44Å |
| 201 | A | 59.7 | Low | 58.7 | Low | 37 Ų | 37 | 111.9 Ų | 111.9 | 31% | 0.306 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.6 | -43.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | R197 M198 R204 H205 | R197-A201 WeakPolarHBondContact O-CB 3.3Å; R197-A201 PolarHBondContact O-N 3.49Å; M198-A201 CarbonylContact O-C 3.59Å; M198-A201 WeakPolarHBondContact O-CB 3.5Å; M198-A201 PolarHBondContact O-N 2.97Å; M198-A201 VanDerWaalsContact O-N 3.07Å; A201-R204 WeakPolarHBondContact O-CB 3.42Å; A201-R204 PolarHBondContact O-N 3.12Å; A201-R204 VanDerWaalsContact O-N 3.08Å; A201-H205 PolarHBondContact O-CD2 2.85Å; A201-H205 PolarHBondContact O-N 3.44Å |
| 202 | E | 56.3 | Low | 57.5 | Low | 142 Ų | 142 | 119.8 Ų | 119.8 | 66% | 0.664 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.8 | -42.5 | 179.8 | -165.3 | 168.5 | -167.2 | 0 | 0 | 111.9 | M198 A199 R204 H205 S206 | M198-E202 VanDerWaalsContact O-CB 3.31Å; M198-E202 WeakPolarHBondContact O-CB 3.37Å; M198-E202 PolarHBondContact O-N 2.84Å; A199-E202 PolarHBondContact O-N 3.06Å; E202-R204 PolarHBondContact O-N 3.47Å; E202-H205 PolarHBondContact O-N 3.05Å; E202-S206 PolarHBondContact O-N 2.95Å |
| 203 | H | 51 | Low | 56.6 | Low | 153 Ų | 153 | 118.2 Ų | 118.2 | 71% | 0.708 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62 | -26 | 171.7 | -119 | -73.4 | 0 | 0 | 0 | 113.3 | A199 | A199-H203 WeakPolarHBondContact O-CB 3.35Å; A199-H203 PolarHBondContact O-N 3.46Å |
| 204 | R | 49.2 | Very low | 55.5 | Low | 189 Ų | 189 | 125 Ų | 125 | 71% | 0.713 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -88.6 | -25.3 | -179.3 | -78.8 | 178.7 | 176.3 | 175 | -0.6 | 113.9 | A200 A201 E202 S206 S207 | A200-R204 WeakPolarHBondContact O-CB 3.33Å; A200-R204 WeakPolarHBondContact O-CD 3.31Å; A200-R204 VanDerWaalsContact O-CG 3.23Å; A200-R204 WeakPolarHBondContact O-CG 3.4Å; A200-R204 PolarHBondContact O-N 3.44Å; A201-R204 WeakPolarHBondContact O-CB 3.42Å; A201-R204 PolarHBondContact O-N 3.12Å; A201-R204 VanDerWaalsContact O-N 3.08Å; E202-R204 PolarHBondContact O-N 3.47Å; R204-S206 VanDerWaalsContact C-N 3.32Å; R204-S207 WeakPolarHBondContact CA-OG 3.36Å; R204-S207 PolarHBondContact O-N 2.77Å; R204-S207 PolarHBondContact O-OG 3.27Å |
| 205 | H | 50.2 | Low | 54.3 | Low | 163 Ų | 163 | 125.1 Ų | 125.1 | 76% | 0.755 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72 | -29 | 170.4 | -72.4 | -61.8 | 0 | 0 | 0 | 112 | A201 E202 S207 | A201-H205 PolarHBondContact O-CD2 2.85Å; A201-H205 PolarHBondContact O-N 3.44Å; E202-H205 PolarHBondContact O-N 3.05Å; H205-S207 VanDerWaalsContact C-N 3.35Å |
| 206 | S | 53.1 | Low | 53.6 | Low | 110 Ų | 110 | 120.7 Ų | 120.7 | 77% | 0.769 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -16.7 | 174.5 | -157.4 | 0 | 0 | 0 | 0 | 113.6 | E202 R204 | E202-S206 PolarHBondContact O-N 2.95Å; R204-S206 VanDerWaalsContact C-N 3.32Å |
| 207 | S | 54 | Low | 52.6 | Low | 61 Ų | 61 | 120.8 Ų | 120.8 | 43% | 0.427 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91 | -0.3 | -176.8 | 67.3 | 0 | 0 | 0 | 0 | 115.2 | R204 H205 L209 | R204-S207 WeakPolarHBondContact CA-OG 3.36Å; R204-S207 PolarHBondContact O-N 2.77Å; R204-S207 PolarHBondContact O-OG 3.27Å; H205-S207 VanDerWaalsContact C-N 3.35Å; S207-L209 PolarHBondContact O-N 3.16Å |
| 208 | G | 50.5 | Low | 51.9 | Low | 74 Ų | 74 | 117.7 Ų | 117.7 | 76% | 0.763 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.6 | 16.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 209 | L | 49.3 | Very low | 51.2 | Low | 135 Ų | 135 | 114.4 Ų | 114.4 | 71% | 0.707 | 61% | 0.605 | S | S | * | * | trans | -88.7 | 133.3 | -177.1 | -80.9 | 165.1 | 0 | 0 | 0 | 111.2 | S207 Y211 | S207-L209 PolarHBondContact O-N 3.16Å; L209-Y211 PolarHBondContact O-N 3.12Å | ||
| 210 | P | 43.7 | Very low | 50.8 | Low | 107 Ų | 107 | 117.1 Ų | 117.1 | 70% | 0.695 | 61% | 0.614 | S | S | * | * | trans | -64.1 | 134.8 | -178.8 | 23.5 | -30.8 | 0 | 0 | 0 | 111.7 | W212 | P210-W212 PolarHBondContact O-N 3.33Š| ||
| 211 | Y | 43.5 | Very low | 50.6 | Low | 197 Ų | 197 | 121.9 Ų | 121.9 | 77% | 0.773 | 63% | 0.626 | S | S | * | * | trans | -64.4 | 108.9 | 179.3 | 175 | -106.7 | 0 | 0 | 0 | 111 | L209 P213 | L209-Y211 PolarHBondContact O-N 3.12Å; Y211-P213 HydrophobicContact CD1-CB 4.41Å; Y211-P213 HydrophobicContact CD1-CG 4.1Å; Y211-P213 HydrophobicContact CE1-CB 3.55Å; Y211-P213 HydrophobicContact CE1-CG 3.55Å; Y211-P213 HydrophobicContact CE2-CB 4.47Å; Y211-P213 WeakPolarHBondContact O-CD 3.22Å | ||
| 212 | W | 43.8 | Very low | 50.5 | Low | 228 Ų | 228 | 125.4 Ų | 125.4 | 86% | 0.864 | 64% | 0.64 | S | S | * | * | trans | -95.8 | 105.4 | 157.7 | -88.2 | 89.6 | 0 | 0 | 0 | 108.1 | P210 Y214 | P210-W212 PolarHBondContact O-N 3.33Å; W212-Y214 PolarHBondContact O-N 3.26Å; W212-Y214 VanDerWaalsContact O-N 3.16Å | ||
| 213 | P | 48.7 | Very low | 50.4 | Low | 63 Ų | 63 | 128 Ų | 128 | 41% | 0.409 | 64% | 0.644 | S | S | . | * | trans | -59.3 | 125.7 | 171.4 | 15.8 | -17.2 | 0 | 0 | 0 | 107.5 | Y211 L215 | Y211-P213 HydrophobicContact CD1-CB 4.41Å; Y211-P213 HydrophobicContact CD1-CG 4.1Å; Y211-P213 HydrophobicContact CE1-CB 3.55Å; Y211-P213 HydrophobicContact CE1-CG 3.55Å; Y211-P213 HydrophobicContact CE2-CB 4.47Å; Y211-P213 WeakPolarHBondContact O-CD 3.22Å; P213-L215 PolarHBondContact O-N 2.97Å | ||
| 214 | Y | 44.6 | Very low | 50.5 | Low | 222 Ų | 222 | 127.6 Ų | 127.6 | 87% | 0.871 | 64% | 0.644 | S | S | * | * | trans | -43.8 | 114.6 | 160.4 | -130.8 | -98.3 | 0 | 0 | 0 | 106.7 | W212 T216 | W212-Y214 PolarHBondContact O-N 3.26Å; W212-Y214 VanDerWaalsContact O-N 3.16Å; Y214-T216 PolarHBondContact O-N 3.5Å | ||
| 215 | L | 47.3 | Very low | 50.5 | Low | 88 Ų | 88 | 121.5 Ų | 121.5 | 46% | 0.461 | 64% | 0.639 | S | S | . | * | trans | -52 | 108 | 171.6 | -81.9 | 156.1 | 0 | 0 | 0 | 106.4 | P213 T219 | P213-L215 PolarHBondContact O-N 2.97Å; L215-T219 HydrophobicContact CD2-CG2 3.78Å | ||
| 216 | T | 54.8 | Low | 50.6 | Low | 89 Ų | 89 | 121.5 Ų | 121.5 | 55% | 0.546 | 64% | 0.639 | S | S | . | * | trans | -53.8 | 143.2 | 173.9 | -21.1 | 0 | 0 | 0 | 0 | 107 | Y214 E218 T219 L220 | Y214-T216 PolarHBondContact O-N 3.5Å; T216-E218 PolarHBondContact O-N 3.49Å; T216-T219 PolarHBondContact O-N 3.45Å; T216-T219 PolarHBondContact O-OG1 3.05Å; T216-L220 PolarHBondContact O-N 3.32Å | ||
| 217 | A | 51.1 | Low | 50.7 | Low | 82 Ų | 82 | 125 Ų | 125 | 68% | 0.678 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -52.9 | -27.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L220 K221 | A217-L220 PolarHBondContact O-N 3.02Å; A217-K221 WeakPolarHBondContact O-CB 3.38Å; A217-K221 PolarHBondContact O-N 3.34Å |
| 218 | E | 51.6 | Low | 50.9 | Low | 128 Ų | 128 | 127.4 Ų | 127.4 | 60% | 0.598 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -52.3 | -47.6 | 167.8 | -126.9 | 84.5 | -141.8 | 0 | 0 | 113.7 | T216 L220 K221 N222 | T216-E218 PolarHBondContact O-N 3.49Å; E218-L220 PolarHBondContact O-N 3.38Å; E218-K221 PolarHBondContact O-N 3.45Å; E218-N222 PolarHBondContact O-N 3.44Å; E218-N222 PolarHBondContact O-ND2 3.15Å |
| 219 | T | 51.3 | Low | 51.3 | Low | 55 Ų | 55 | 129.5 Ų | 129.5 | 34% | 0.337 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -72.7 | -31 | -175.1 | -23.3 | 0 | 0 | 0 | 0 | 111.9 | L215 T216 R223 | L215-T219 HydrophobicContact CD2-CG2 3.78Å; T216-T219 PolarHBondContact O-N 3.45Å; T216-T219 PolarHBondContact O-OG1 3.05Å; T219-R223 PolarHBondContact O-N 2.8Å |
| 220 | L | 53.8 | Low | 51.7 | Low | 91 Ų | 91 | 128.1 Ų | 128.1 | 48% | 0.476 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -73.6 | -37.2 | 173.5 | -117.4 | 155.5 | 0 | 0 | 0 | 111.5 | T216 A217 E218 R223 M224 | T216-L220 PolarHBondContact O-N 3.32Å; A217-L220 PolarHBondContact O-N 3.02Å; E218-L220 PolarHBondContact O-N 3.38Å; L220-R223 PolarHBondContact O-N 3.34Å; L220-M224 HydrophobicContact CB-CE 4.41Å; L220-M224 HydrophobicContact CD2-CE 3.82Å; L220-M224 WeakPolarHBondContact O-CE 3.3Å; L220-M224 PolarHBondContact O-N 3.24Å |
| 221 | K | 54.9 | Low | 52 | Low | 146 Ų | 146 | 128.8 Ų | 128.8 | 64% | 0.635 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -65.4 | -41 | 175.4 | -171.6 | -177.8 | 170.4 | -171.7 | 0 | 112.2 | A217 E218 R223 M224 G225 | A217-K221 WeakPolarHBondContact O-CB 3.38Å; A217-K221 PolarHBondContact O-N 3.34Å; E218-K221 PolarHBondContact O-N 3.45Å; K221-R223 VanDerWaalsContact C-N 3.29Å; K221-R223 PolarHBondContact O-N 3.36Å; K221-M224 PolarHBondContact O-N 3.27Å; K221-G225 PolarHBondContact O-N 3.39Å |
| 222 | N | 57.1 | Low | 52.3 | Low | 110 Ų | 110 | 127.6 Ų | 127.6 | 59% | 0.588 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.4 | -26.1 | 178 | -68.3 | -16.1 | 0 | 0 | 0 | 113.2 | E218 | E218-N222 PolarHBondContact O-N 3.44Å; E218-N222 PolarHBondContact O-ND2 3.15Å |
| 223 | R | 55.3 | Low | 52.8 | Low | 197 Ų | 197 | 128 Ų | 128 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -80.4 | -25.2 | 173.9 | -75.9 | -172.8 | 177.7 | -169.6 | 0 | 114.1 | T219 L220 K221 | T219-R223 PolarHBondContact O-N 2.8Å; L220-R223 PolarHBondContact O-N 3.34Å; K221-R223 VanDerWaalsContact C-N 3.29Å; K221-R223 PolarHBondContact O-N 3.36Å |
| 224 | M | 52.3 | Low | 53 | Low | 145 Ų | 145 | 131.2 Ų | 131.2 | 71% | 0.714 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -83.1 | -11.2 | 176.1 | -78.2 | -176.8 | -82.8 | 0 | 0 | 113.6 | L220 K221 | L220-M224 HydrophobicContact CB-CE 4.41Å; L220-M224 HydrophobicContact CD2-CE 3.82Å; L220-M224 WeakPolarHBondContact O-CE 3.3Å; L220-M224 PolarHBondContact O-N 3.24Å; K221-M224 PolarHBondContact O-N 3.27Å |
| 225 | G | 49.5 | Very low | 53.5 | Low | 60 Ų | 60 | 126.4 Ų | 126.4 | 62% | 0.619 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 2.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | K221 | K221-G225 PolarHBondContact O-N 3.39Š|
| 226 | H | 52.2 | Low | 53.8 | Low | 163 Ų | 163 | 128.6 Ų | 128.6 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | trans | -102.5 | 108.9 | 175.9 | -75.5 | -3.1 | 0 | 0 | 0 | 110.1 | ||||
| 227 | Q | 55.8 | Low | 53.8 | Low | 184 Ų | 184 | 130.9 Ų | 130.9 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 138.6 | 161.8 | -79.5 | -167.8 | -4 | 0 | 0 | 108.9 | ||
| 228 | P | 57 | Low | 53.9 | Low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 145.2 | 169.6 | 26.7 | -31.3 | 0 | 0 | 0 | 109.8 | ||
| 229 | P | 59.5 | Low | 54.1 | Low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 146.8 | 179.1 | 25.8 | -32.7 | 0 | 0 | 0 | 110.5 | ||
| 230 | P | 57.3 | Low | 54.3 | Low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 145.3 | 179.6 | 26.1 | -32.7 | 0 | 0 | 0 | 110.5 | L232 | P230-L232 PolarHBondContact O-N 3.35Š|
| 231 | P | 50 | Low | 54.3 | Low | 120 Ų | 120 | 143.8 Ų | 143.8 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 130.1 | 178.3 | 25 | -31.5 | 0 | 0 | 0 | 109.7 | ||
| 232 | L | 50.7 | Low | 54.3 | Low | 172 Ų | 172 | 143.6 Ų | 143.6 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 132.7 | 166.6 | -91.1 | 81.4 | 0 | 0 | 0 | 108.4 | P230 | P230-L232 PolarHBondContact O-N 3.35Š|
| 233 | N | 54.9 | Low | 54 | Low | 236 Ų | 236 | 146.6 Ų | 146.6 | 100% | 1.262 | 80% | 0.801 | S | S | * | * | trans | -59.4 | 0 | 173.2 | -69.6 | -27 | 0 | 0 | 0 | 112.3 |
Retrieved 233 of 233 residues in 175.1 ms
(Link to these results)