| 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 | 30.6 | Very low | 28.9 | Very low | 219 Ų | 219 | 153.1 Ų | 153.1 | 100% | 1.079 | 82% | 0.82 | S | S | * | * | 0 | 71.3 | 0 | -60.1 | 177.6 | -174.2 | 0 | 0 | 107.7 | |||||
| 2 | D | 27.1 | Very low | 28.9 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 78% | 0.781 | 82% | 0.817 | S | S | * | * | cis | 98.8 | 127.3 | 40.4 | -55.7 | -23 | 0 | 0 | 0 | 110.2 | ||||
| 3 | V | 30.8 | Very low | 28.8 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | cis | -151.6 | 144.4 | -4.2 | 111.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 4 | Q | 30.4 | Very low | 28.7 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | 40.6 | 121.5 | 158.7 | -65.4 | 167.1 | -35.7 | 0 | 0 | 121.7 | ||||
| 5 | T | 29.4 | Very low | 28.7 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -71.8 | 154.4 | 145.6 | 43.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 6 | G | 33.1 | Very low | 29.1 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -128.6 | 131.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 7 | H | 30.9 | Very low | 29.3 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | trans | -82.5 | 149.2 | 179.9 | -90 | -106.7 | 0 | 0 | 0 | 112.8 | ||||
| 8 | C | 26.2 | Very low | 29.8 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -122.8 | 114.3 | 142.4 | -75.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 9 | E | 26.9 | Very low | 30.5 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | trans | -85.2 | 145.5 | 168.4 | -68.1 | -178.7 | 109.2 | 0 | 0 | 110.3 | ||||
| 10 | W | 25.9 | Very low | 31 | Very low | 253 Ų | 253 | 136.7 Ų | 136.7 | 96% | 0.958 | 78% | 0.777 | S | S | * | * | trans | -128 | 106 | 156.2 | -96.6 | 76.2 | 0 | 0 | 0 | 108.2 | A12 | W10-A12 PolarHBondContact O-N 3.38Š| ||
| 11 | V | 26.2 | Very low | 31.4 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -83.2 | 106 | 178.9 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 12 | A | 29.5 | Very low | 32.1 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | trans | -94 | 110.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | W10 S14 | W10-A12 PolarHBondContact O-N 3.38Å; A12-S14 PolarHBondContact O-N 3.31Å | ||
| 13 | S | 27.5 | Very low | 32.8 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | trans | -64.6 | 126.5 | -172 | -61.8 | 0 | 0 | 0 | 0 | 113.1 | N15 | S13-N15 PolarHBondContact O-N 2.8Š| ||
| 14 | S | 27.9 | Very low | 33.4 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -71.6 | 88.9 | 173.4 | 57 | 0 | 0 | 0 | 0 | 111.7 | A12 | A12-S14 PolarHBondContact O-N 3.31Š|
| 15 | N | 28.2 | Very low | 33.9 | Very low | 160 Ų | 160 | 120.6 Ų | 120.6 | 86% | 0.856 | 70% | 0.699 | S | S | * | * | trans | 176.9 | 73.9 | 147.9 | -91.4 | -23.7 | 0 | 0 | 0 | 112.4 | S13 | S13-N15 PolarHBondContact O-N 2.8Š| ||
| 16 | T | 34.9 | Very low | 34.6 | Very low | 113 Ų | 113 | 117.3 Ų | 117.3 | 69% | 0.693 | 68% | 0.682 | S | S | * | * | trans | -138.6 | 124.2 | 160 | 46.9 | 0 | 0 | 0 | 0 | 110.8 | L18 | T16-L18 PolarHBondContact O-N 3.35Š| ||
| 17 | N | 32.6 | Very low | 35.4 | Very low | 176 Ų | 176 | 118.5 Ų | 118.5 | 94% | 0.941 | 67% | 0.668 | S | S | * | * | trans | -79.2 | 83 | 172.4 | -73.4 | -34.6 | 0 | 0 | 0 | 109.5 | ||||
| 18 | L | 37.6 | Very low | 36.1 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 59% | 0.592 | 66% | 0.662 | S | S | * | * | trans | -66.9 | 132.5 | 164.8 | -92 | 72.2 | 0 | 0 | 0 | 109.1 | T16 | T16-L18 PolarHBondContact O-N 3.35Š| ||
| 19 | S | 44.5 | Very low | 37.2 | Very low | 67 Ų | 67 | 114.4 Ų | 114.4 | 47% | 0.469 | 65% | 0.654 | S | S | . | * | trans | -67.4 | 163.1 | 173 | 66.3 | 0 | 0 | 0 | 0 | 111.1 | E21 G22 L23 | S19-E21 PolarHBondContact O-N 3.44Å; S19-E21 VanDerWaalsContact O-N 3.17Å; S19-E21 PolarHBondContact OG-N 3.29Å; S19-G22 PolarHBondContact O-N 3.29Å; S19-G22 PolarHBondContact OG-N 3.2Å; S19-L23 PolarHBondContact O-N 3.25Å; S19-L23 VanDerWaalsContact O-N 3.1Å | ||
| 20 | T | 39.7 | Very low | 38.6 | Very low | 110 Ų | 110 | 110 Ų | 110 | 68% | 0.675 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -54.3 | -33.2 | 171.3 | -41.6 | 0 | 0 | 0 | 0 | 111.8 | L23 I24 | T20-L23 PolarHBondContact O-N 2.99Å; T20-I24 HydrophobicContact CG2-CD1 4.1Å; T20-I24 WeakPolarHBondContact O-CB 3.41Å; T20-I24 WeakPolarHBondContact O-CD1 3.48Å; T20-I24 WeakPolarHBondContact O-CG1 3.28Å; T20-I24 PolarHBondContact O-N 3.15Å |
| 21 | E | 39.9 | Very low | 40.3 | Very low | 157 Ų | 157 | 100.4 Ų | 100.4 | 73% | 0.734 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.3 | -40 | 175.1 | -61.3 | -176.4 | 140.8 | 0 | 0 | 112.4 | S19 L23 I24 S25 | S19-E21 PolarHBondContact O-N 3.44Å; S19-E21 VanDerWaalsContact O-N 3.17Å; S19-E21 PolarHBondContact OG-N 3.29Å; E21-L23 VanDerWaalsContact C-N 3.35Å; E21-I24 PolarHBondContact O-N 3.4Å; E21-S25 WeakPolarHBondContact O-CB 3.28Å; E21-S25 PolarHBondContact O-N 3.22Å |
| 22 | G | 45.9 | Very low | 41.4 | Very low | 23 Ų | 23 | 103.2 Ų | 103.2 | 24% | 0.237 | 61% | 0.61 | C | S | . | * | H | α-helix | trans | -61.4 | -43.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S19 S25 S26 | S19-G22 PolarHBondContact O-N 3.29Å; S19-G22 PolarHBondContact OG-N 3.2Å; G22-S25 PolarHBondContact O-N 3.01Å; G22-S26 PolarHBondContact O-N 3.06Å; G22-S26 PolarHBondContact O-OG 3.47Å |
| 23 | L | 40.7 | Very low | 42.4 | Very low | 104 Ų | 104 | 102.4 Ų | 102.4 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.5 | -40.5 | 178.4 | -142.5 | 166.6 | 0 | 0 | 0 | 111.7 | S19 T20 E21 S25 S26 I27 | S19-L23 PolarHBondContact O-N 3.25Å; S19-L23 VanDerWaalsContact O-N 3.1Å; T20-L23 PolarHBondContact O-N 2.99Å; E21-L23 VanDerWaalsContact C-N 3.35Å; L23-S25 VanDerWaalsContact C-N 3.34Å; L23-S26 PolarHBondContact O-N 3.38Å; L23-I27 HydrophobicContact CD2-CD1 3.71Å; L23-I27 HydrophobicContact CD2-CG1 4.28Å; L23-I27 WeakPolarHBondContact O-CG1 3.44Å; L23-I27 PolarHBondContact O-N 3.36Å; L23-I27 VanDerWaalsContact O-N 3.07Å |
| 24 | I | 42.6 | Very low | 43.9 | Very low | 107 Ų | 107 | 101.9 Ų | 101.9 | 55% | 0.549 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.3 | -42.1 | 171.1 | -72.2 | 165 | 0 | 0 | 0 | 111 | T20 E21 S26 I27 A28 | T20-I24 HydrophobicContact CG2-CD1 4.1Å; T20-I24 WeakPolarHBondContact O-CB 3.41Å; T20-I24 WeakPolarHBondContact O-CD1 3.48Å; T20-I24 WeakPolarHBondContact O-CG1 3.28Å; T20-I24 PolarHBondContact O-N 3.15Å; E21-I24 PolarHBondContact O-N 3.4Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 2.88Å; I24-I27 PolarHBondContact O-N 3.03Å; I24-A28 WeakPolarHBondContact O-CB 3.35Å; I24-A28 PolarHBondContact O-N 3.36Å |
| 25 | S | 41.5 | Very low | 45.3 | Very low | 67 Ų | 67 | 99.6 Ų | 99.6 | 47% | 0.469 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.8 | -30.1 | 178.9 | -165.6 | 0 | 0 | 0 | 0 | 113.1 | E21 G22 L23 N29 | E21-S25 WeakPolarHBondContact O-CB 3.28Å; E21-S25 PolarHBondContact O-N 3.22Å; G22-S25 PolarHBondContact O-N 3.01Å; L23-S25 VanDerWaalsContact C-N 3.34Å; S25-N29 PolarHBondContact O-ND2 2.93Å |
| 26 | S | 44.3 | Very low | 46.4 | Very low | 70 Ų | 70 | 97.9 Ų | 97.9 | 49% | 0.49 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69 | -41.3 | 169.7 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | G22 L23 I24 A28 N29 | G22-S26 PolarHBondContact O-N 3.06Å; G22-S26 PolarHBondContact O-OG 3.47Å; L23-S26 PolarHBondContact O-N 3.38Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 2.88Å; S26-A28 VanDerWaalsContact C-N 3.35Å; S26-N29 PolarHBondContact O-N 3.18Å |
| 27 | I | 49.3 | Very low | 47.2 | Very low | 101 Ų | 101 | 97.3 Ų | 97.3 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.7 | -36.6 | 177.1 | -68.5 | 167.4 | 0 | 0 | 0 | 111.4 | L23 I24 N29 L30 | L23-I27 HydrophobicContact CD2-CD1 3.71Å; L23-I27 HydrophobicContact CD2-CG1 4.28Å; L23-I27 WeakPolarHBondContact O-CG1 3.44Å; L23-I27 PolarHBondContact O-N 3.36Å; L23-I27 VanDerWaalsContact O-N 3.07Å; I24-I27 PolarHBondContact O-N 3.03Å; I27-N29 PolarHBondContact O-N 3.22Å; I27-L30 HydrophobicContact CB-CD1 4.48Å; I27-L30 HydrophobicContact CG2-CD1 4.33Å; I27-L30 WeakPolarHBondContact O-CG 3.46Å; I27-L30 PolarHBondContact O-N 3.02Å |
| 28 | A | 47 | Very low | 48 | Very low | 76 Ų | 76 | 94.9 Ų | 94.9 | 63% | 0.628 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I24 S26 | I24-A28 WeakPolarHBondContact O-CB 3.35Å; I24-A28 PolarHBondContact O-N 3.36Å; S26-A28 VanDerWaalsContact C-N 3.35Å |
| 29 | N | 48.5 | Very low | 48.1 | Very low | 131 Ų | 131 | 100.7 Ų | 100.7 | 70% | 0.701 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 3.8 | -179.6 | -70.8 | -9 | 0 | 0 | 0 | 113.6 | S25 S26 I27 | S25-N29 PolarHBondContact O-ND2 2.93Å; S26-N29 PolarHBondContact O-N 3.18Å; I27-N29 PolarHBondContact O-N 3.22Å |
| 30 | L | 57.5 | Low | 47.9 | Very low | 56 Ų | 56 | 100.1 Ų | 100.1 | 29% | 0.293 | 54% | 0.537 | S | S | . | . | trans | -69.9 | 133.3 | 177 | -65.6 | 171.7 | 0 | 0 | 0 | 110.9 | I27 E34 L38 | I27-L30 HydrophobicContact CB-CD1 4.48Å; I27-L30 HydrophobicContact CG2-CD1 4.33Å; I27-L30 WeakPolarHBondContact O-CG 3.46Å; I27-L30 PolarHBondContact O-N 3.02Å; L30-E34 HydrophobicContact CB-CB 4.35Å; L30-E34 HydrophobicContact CD2-CB 4.11Å; L30-L38 HydrophobicContact CD1-CD1 3.73Å | ||
| 31 | S | 59.9 | Low | 47.6 | Very low | 53 Ų | 53 | 101.6 Ų | 101.6 | 37% | 0.371 | 54% | 0.541 | S | S | . | . | trans | -64.8 | 164.2 | 170.7 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | E33 E34 T35 | S31-E33 PolarHBondContact O-N 3.15Å; S31-E34 WeakPolarHBondContact CB-OE2 3.32Å; S31-E34 PolarHBondContact N-OE2 2.7Å; S31-E34 PolarHBondContact O-N 2.77Å; S31-E34 WeakPolarHBondContact OG-CG 3.08Å; S31-E34 PolarHBondContact OG-N 3.23Å; S31-E34 VanDerWaalsContact OG-N 3.16Å; S31-E34 PolarHBondContact OG-OE2 3.32Å; S31-T35 WeakPolarHBondContact O-CB 3.28Å; S31-T35 PolarHBondContact O-N 3.21Å; S31-T35 PolarHBondContact O-OG1 3.38Å | ||
| 32 | F | 49.5 | Very low | 47.3 | Very low | 172 Ų | 172 | 100.3 Ų | 100.3 | 75% | 0.754 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -56.3 | -36.9 | 173 | 179.4 | -94.1 | 0 | 0 | 0 | 112.1 | R36 | F32-R36 WeakPolarHBondContact O-CB 3.25Å; F32-R36 PolarHBondContact O-N 3.37Å |
| 33 | E | 50.8 | Low | 46.6 | Very low | 79 Ų | 79 | 102.8 Ų | 102.8 | 37% | 0.369 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -78.6 | -35.5 | -177.9 | -163.5 | 61.2 | -158.4 | 0 | 0 | 112.2 | S31 T35 R36 L37 | S31-E33 PolarHBondContact O-N 3.15Å; E33-T35 VanDerWaalsContact C-N 3.34Å; E33-R36 WeakPolarHBondContact O-CB 3.42Å; E33-R36 PolarHBondContact O-N 3.31Å; E33-R36 IonicContact OE1-CZ 3.66Å; E33-R36 IonicContact OE1-NE 3.43Å; E33-R36 IonicContact OE1-NH1 3.35Å; E33-R36 PolarHBondContact OE1-NH1 3.38Å; E33-R36 WeakPolarHBondContact OE2-CD 3.44Å; E33-R36 IonicContact OE2-NH1 3.73Å; E33-R36 PolarHBondContact OE2-NH1 2.94Å; E33-L37 HydrophobicContact CG-CD1 4.39Å; E33-L37 WeakPolarHBondContact O-CB 3.2Å; E33-L37 VanDerWaalsContact O-CG 3.23Å; E33-L37 WeakPolarHBondContact O-CG 3.13Å; E33-L37 PolarHBondContact O-N 2.9Å |
| 34 | E | 60.2 | Low | 46.1 | Very low | 93 Ų | 93 | 109.1 Ų | 109.1 | 44% | 0.435 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.8 | -41 | 169.8 | -71.6 | 161.1 | 114.5 | 0 | 0 | 111.4 | L30 S31 R36 L37 L38 | L30-E34 HydrophobicContact CB-CB 4.35Å; L30-E34 HydrophobicContact CD2-CB 4.11Å; S31-E34 WeakPolarHBondContact CB-OE2 3.32Å; S31-E34 PolarHBondContact N-OE2 2.7Å; S31-E34 PolarHBondContact O-N 2.77Å; S31-E34 WeakPolarHBondContact OG-CG 3.08Å; S31-E34 PolarHBondContact OG-N 3.23Å; S31-E34 VanDerWaalsContact OG-N 3.16Å; S31-E34 PolarHBondContact OG-OE2 3.32Å; E34-R36 VanDerWaalsContact C-N 3.32Å; E34-R36 PolarHBondContact O-N 3.23Å; E34-L37 PolarHBondContact O-N 3.49Å; E34-L38 WeakPolarHBondContact O-CB 3.38Å; E34-L38 WeakPolarHBondContact O-CG 3.27Å; E34-L38 PolarHBondContact O-N 2.94Å |
| 35 | T | 55.6 | Low | 45.4 | Very low | 64 Ų | 64 | 108.1 Ų | 108.1 | 39% | 0.393 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.6 | -41.4 | 173.2 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | S31 E33 W39 | S31-T35 WeakPolarHBondContact O-CB 3.28Å; S31-T35 PolarHBondContact O-N 3.21Å; S31-T35 PolarHBondContact O-OG1 3.38Å; E33-T35 VanDerWaalsContact C-N 3.34Å; T35-W39 PolarHBondContact O-N 3.08Å |
| 36 | R | 51.2 | Low | 44.6 | Very low | 123 Ų | 123 | 111.4 Ų | 111.4 | 46% | 0.464 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.7 | -42.2 | 175.2 | -177.7 | -174.7 | 172.8 | -136.9 | -1.3 | 112.3 | F32 E33 E34 W39 G40 E1026 | F32-R36 WeakPolarHBondContact O-CB 3.25Å; F32-R36 PolarHBondContact O-N 3.37Å; E33-R36 WeakPolarHBondContact O-CB 3.42Å; E33-R36 PolarHBondContact O-N 3.31Å; E33-R36 IonicContact OE1-CZ 3.66Å; E33-R36 IonicContact OE1-NE 3.43Å; E33-R36 IonicContact OE1-NH1 3.35Å; E33-R36 PolarHBondContact OE1-NH1 3.38Å; E33-R36 WeakPolarHBondContact OE2-CD 3.44Å; E33-R36 IonicContact OE2-NH1 3.73Å; E33-R36 PolarHBondContact OE2-NH1 2.94Å; E34-R36 VanDerWaalsContact C-N 3.32Å; E34-R36 PolarHBondContact O-N 3.23Å; R36-W39 CarbonylContact O-C 3.41Å; R36-W39 PolarHBondContact O-N 2.98Å; R36-G40 PolarHBondContact O-N 3.25Å; R36-E1026 IonicContact NH2-OE1 3.65Å |
| 37 | L | 52.9 | Low | 43.9 | Very low | 102 Ų | 102 | 115.6 Ų | 115.6 | 53% | 0.534 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.6 | -39.6 | 179.2 | -75 | 166.3 | 0 | 0 | 0 | 111.8 | E33 E34 W39 G40 | E33-L37 HydrophobicContact CG-CD1 4.39Å; E33-L37 WeakPolarHBondContact O-CB 3.2Å; E33-L37 VanDerWaalsContact O-CG 3.23Å; E33-L37 WeakPolarHBondContact O-CG 3.13Å; E33-L37 PolarHBondContact O-N 2.9Å; E34-L37 PolarHBondContact O-N 3.49Å; L37-W39 PolarHBondContact O-N 3.5Å; L37-G40 PolarHBondContact O-N 2.95Å |
| 38 | L | 48.3 | Very low | 42.9 | Very low | 124 Ų | 124 | 115.1 Ų | 115.1 | 65% | 0.649 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -60.2 | -26.8 | 173 | -79.1 | 165.4 | 0 | 0 | 0 | 113.4 | L30 E34 | L30-L38 HydrophobicContact CD1-CD1 3.73Å; E34-L38 WeakPolarHBondContact O-CB 3.38Å; E34-L38 WeakPolarHBondContact O-CG 3.27Å; E34-L38 PolarHBondContact O-N 2.94Å |
| 39 | W | 40.9 | Very low | 42.1 | Very low | 235 Ų | 235 | 117.2 Ų | 117.2 | 89% | 0.89 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -100.6 | -8.7 | 177.2 | -75 | 19.3 | 0 | 0 | 0 | 113.7 | T35 R36 L37 | T35-W39 PolarHBondContact O-N 3.08Å; R36-W39 CarbonylContact O-C 3.41Å; R36-W39 PolarHBondContact O-N 2.98Å; L37-W39 PolarHBondContact O-N 3.5Å |
| 40 | G | 39.2 | Very low | 41.2 | Very low | 56 Ų | 56 | 118.8 Ų | 118.8 | 58% | 0.577 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -88 | -22.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | R36 L37 | R36-G40 PolarHBondContact O-N 3.25Å; L37-G40 PolarHBondContact O-N 2.95Å |
| 41 | N | 33.6 | Very low | 40 | Very low | 141 Ų | 141 | 122.6 Ų | 122.6 | 75% | 0.754 | 68% | 0.675 | S | S | * | * | trans | -117.4 | 83.6 | -168.5 | -90.3 | -20.7 | 0 | 0 | 0 | 113.6 | ||||
| 42 | S | 34.2 | Very low | 38.7 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 90% | 0.902 | 69% | 0.689 | S | S | * | * | trans | -164 | 118.8 | 161.4 | -83.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 43 | G | 31.5 | Very low | 37.8 | Very low | 75 Ų | 75 | 125 Ų | 125 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | trans | 172.1 | 55.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 44 | Y | 29 | Very low | 36.8 | Very low | 238 Ų | 238 | 124.2 Ų | 124.2 | 93% | 0.933 | 71% | 0.707 | S | S | * | * | trans | -140.5 | 153.1 | 168.6 | -93 | -82.6 | 0 | 0 | 0 | 111.1 | ||||
| 45 | A | 27.8 | Very low | 35.4 | Very low | 85 Ų | 85 | 127.2 Ų | 127.2 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | trans | 63.6 | 119.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 46 | T | 25.8 | Very low | 34.2 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | cis | 74.6 | 110.4 | 48.1 | 71.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 47 | V | 29.4 | Very low | 33.4 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 96% | 0.958 | 76% | 0.76 | S | S | * | * | trans | -137.3 | 149.7 | 160.5 | -180 | 0 | 0 | 0 | 0 | 108 | ||||
| 48 | S | 28.2 | Very low | 32.6 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | trans | -136 | 141.1 | -171.8 | 179.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 49 | T | 30.5 | Very low | 31.8 | Very low | 120 Ų | 120 | 138 Ų | 138 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | 62.5 | 156.5 | 155.9 | 40.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 50 | Q | 29.4 | Very low | 31.2 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | cis | -153.7 | -175.5 | 18.6 | -143.8 | 159.4 | -36.2 | 0 | 0 | 112.7 | ||||
| 51 | D | 32.2 | Very low | 30.9 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 74.2 | 140.6 | 159.6 | -66.7 | -3.5 | 0 | 0 | 0 | 120.2 | ||||
| 52 | V | 32.8 | Very low | 31 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 67% | 0.667 | 79% | 0.787 | S | S | * | * | cis | -158.5 | 142.8 | -10 | 113.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 53 | L | 29.8 | Very low | 31.2 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | 37.3 | 145.7 | 156.2 | -54.8 | 168.8 | 0 | 0 | 0 | 122.9 | ||||
| 54 | G | 30.5 | Very low | 31.4 | Very low | 61 Ų | 61 | 139.3 Ų | 139.3 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | cis | 164.7 | 157.5 | -7.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 55 | N | 30.3 | Very low | 31.5 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | 69.7 | 134 | 165.8 | -54.8 | -34 | 0 | 0 | 0 | 120.2 | ||||
| 56 | R | 31.9 | Very low | 31.7 | Very low | 232 Ų | 232 | 138.1 Ų | 138.1 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | cis | 86.7 | 155.2 | 31.3 | -90.6 | -167.8 | 170.8 | -139.2 | 0 | 116.3 | ||||
| 57 | P | 33.8 | Very low | 31.8 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | cis | -131.9 | -123.5 | -6.1 | 28.6 | -0.7 | 0 | 0 | 0 | 116.5 | ||||
| 58 | P | 35.6 | Very low | 31.9 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 59% | 0.591 | 75% | 0.748 | S | S | * | * | -135.3 | -152.7 | -113.9 | 47.2 | -26.9 | 0 | 0 | 0 | 118 | |||||
| 59 | F | 32 | Very low | 32 | Very low | 210 Ų | 210 | 134.8 Ų | 134.8 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | trans | 78.1 | 143.1 | -178.7 | -48.1 | -77.3 | 0 | 0 | 0 | 114.8 | ||||
| 60 | G | 28.8 | Very low | 32.1 | Very low | 78 Ų | 78 | 136.4 Ų | 136.4 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | cis | 165.1 | 160.9 | -4.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 61 | S | 32.9 | Very low | 31.9 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | cis | -162 | -175.5 | -5.3 | 60.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 62 | T | 35.4 | Very low | 31.6 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | trans | -90.2 | -174.9 | 176.8 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 63 | P | 38.4 | Very low | 31.3 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | cis | -147.5 | -144.6 | 18.5 | 47.7 | -25 | 0 | 0 | 0 | 117.2 | ||||
| 64 | W | 35.9 | Very low | 31.1 | Very low | 235 Ų | 235 | 131.6 Ų | 131.6 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | trans | 107.9 | 148 | 167 | -57.9 | 109.6 | 0 | 0 | 0 | 117.9 | ||||
| 65 | D | 30.7 | Very low | 30.8 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | -157 | 171.6 | -82.6 | -165.4 | 11.2 | 0 | 0 | 0 | 111.5 | |||||
| 66 | M | 31.8 | Very low | 30.9 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | trans | 75.7 | 148 | 163.3 | -50.5 | -156.2 | 84.2 | 0 | 0 | 119.9 | ||||
| 67 | S | 28.4 | Very low | 30.7 | Very low | 86 Ų | 86 | 127.7 Ų | 127.7 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | cis | -174.7 | 147.3 | -22.1 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 68 | S | 31.1 | Very low | 30.4 | Very low | 93 Ų | 93 | 129.5 Ų | 129.5 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | 56 | 147.4 | 149.1 | 52.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 69 | N | 30.5 | Very low | 30 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | cis | -162.5 | 163.3 | 3.4 | -108.1 | -2.9 | 0 | 0 | 0 | 112.7 | ||||
| 70 | H | 31.2 | Very low | 29.7 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 0.9 | 153.1 | 143.6 | -57.6 | -64.5 | 0 | 0 | 0 | 121.2 | ||||
| 71 | T | 26.8 | Very low | 29.6 | Very low | 111 Ų | 111 | 133 Ų | 133 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | cis | -169.3 | 167 | 4.5 | 13.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 72 | T | 25.7 | Very low | 29.2 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | trans | 59.5 | 117 | 149.6 | 50.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 73 | S | 26.6 | Very low | 28.7 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | 28.7 | 116.2 | 135 | -166.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 74 | S | 25.7 | Very low | 28.2 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | -167.7 | 159.5 | 115.3 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 75 | S | 23.5 | Very low | 27.7 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | -71.7 | 143.5 | -171.1 | -46.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 76 | I | 32.3 | Very low | 27.5 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | 57.9 | 130.2 | 143.2 | -56.2 | 159.4 | 0 | 0 | 0 | 118.1 | M78 | I76-M78 HydrophobicContact CG2-CB 4.34Š| ||
| 77 | P | 27.5 | Very low | 27.2 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | -131.1 | 113.7 | 127.6 | 34.5 | -25.5 | 0 | 0 | 0 | 113.5 | |||||
| 78 | M | 28.2 | Very low | 27.1 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | trans | -84.1 | 111.7 | 167.3 | 176.2 | -167.7 | 61.9 | 0 | 0 | 109.9 | I76 | I76-M78 HydrophobicContact CG2-CB 4.34Š| ||
| 79 | V | 26.3 | Very low | 26.9 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -128.4 | 94.2 | 173 | -175 | 0 | 0 | 0 | 0 | 108 | ||||
| 80 | R | 25.7 | Very low | 26.7 | Very low | 204 Ų | 204 | 141.2 Ų | 141.2 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | 63.4 | 109.7 | 76.4 | -77.4 | -170.5 | 160.9 | -178 | -2.6 | 115.6 | |||||
| 81 | S | 26.3 | Very low | 26.5 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | 73.1 | 143.8 | 150.9 | -107.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 82 | R | 25.7 | Very low | 26.5 | Very low | 205 Ų | 205 | 141.8 Ų | 141.8 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | cis | -143.3 | 161.6 | 11.1 | -60.8 | -179.4 | 166.1 | 170 | -3.6 | 111.8 | ||||
| 83 | R | 25.6 | Very low | 26.7 | Very low | 201 Ų | 201 | 140.8 Ų | 140.8 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | trans | 37.5 | 142.7 | 133.3 | -68.7 | -175.6 | -173.8 | 147.1 | 2.7 | 120.4 | ||||
| 84 | D | 26.5 | Very low | 26.7 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | cis | -160.9 | 149.8 | 8.2 | -102.7 | -33.7 | 0 | 0 | 0 | 110.1 | ||||
| 85 | K | 25.7 | Very low | 26.9 | Very low | 183 Ų | 183 | 145 Ų | 145 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | 59.8 | 150.7 | 152 | -66.7 | 173.5 | -176.2 | 175.3 | 0 | 118.2 | ||||
| 86 | L | 26.2 | Very low | 27.1 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | -156.1 | 162 | 6.5 | -125.5 | 164.6 | 0 | 0 | 0 | 110.2 | ||||
| 87 | N | 26.7 | Very low | 26.9 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -18.7 | 135.4 | 176.4 | -57.9 | -2.8 | 0 | 0 | 0 | 120.3 | ||||
| 88 | S | 25.9 | Very low | 26.9 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | -154.3 | 141.1 | 113.5 | 66 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 89 | T | 26.5 | Very low | 27 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | trans | -92.8 | 133.8 | -177.4 | -46.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 90 | I | 26.1 | Very low | 27.2 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | trans | -128.3 | 125.7 | 163.4 | -61.5 | -179.8 | 0 | 0 | 0 | 107.4 | ||||
| 91 | P | 26.2 | Very low | 27.6 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 116.9 | 172.6 | 31.8 | -30.1 | 0 | 0 | 0 | 110.1 | ||
| 92 | E | 27.7 | Very low | 27.9 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 148.6 | 160.4 | -80.8 | -66.5 | 125.1 | 0 | 0 | 109.6 | ||
| 93 | P | 29.7 | Very low | 28.5 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 133.8 | -162.7 | 29.2 | -34.5 | 0 | 0 | 0 | 112.7 | L95 | P93-L95 PolarHBondContact O-N 3.36Š|
| 94 | N | 26.2 | Very low | 29.2 | Very low | 159 Ų | 159 | 115.9 Ų | 115.9 | 85% | 0.85 | 66% | 0.66 | S | S | * | * | trans | -63.1 | 97.2 | 167.1 | -69.6 | -25.9 | 0 | 0 | 0 | 109.9 | S96 | N94-S96 VanDerWaalsContact C-N 3.29Å; N94-S96 PolarHBondContact O-N 3.35Å | ||
| 95 | L | 29.9 | Very low | 29.9 | Very low | 169 Ų | 169 | 113.7 Ų | 113.7 | 89% | 0.885 | 67% | 0.665 | S | S | * | * | trans | -61.8 | 98.1 | 151.3 | -82.4 | 162.4 | 0 | 0 | 0 | 106.4 | P93 D97 | P93-L95 PolarHBondContact O-N 3.36Å; L95-D97 PolarHBondContact O-N 3.29Å; L95-D97 VanDerWaalsContact O-N 3.13Å | ||
| 96 | S | 29.3 | Very low | 31 | Very low | 94 Ų | 94 | 106 Ų | 106 | 66% | 0.657 | 63% | 0.634 | S | S | * | * | trans | -68.5 | 110.7 | -172.9 | 53 | 0 | 0 | 0 | 0 | 110.5 | N94 G98 | N94-S96 VanDerWaalsContact C-N 3.29Å; N94-S96 PolarHBondContact O-N 3.35Å; S96-G98 PolarHBondContact O-N 3.25Å | ||
| 97 | D | 26.2 | Very low | 32.4 | Very low | 151 Ų | 151 | 107.4 Ų | 107.4 | 81% | 0.807 | 63% | 0.634 | S | S | * | * | trans | -50.3 | 122.6 | 179.8 | -88.2 | -58.3 | 0 | 0 | 0 | 112.5 | L95 | L95-D97 PolarHBondContact O-N 3.29Å; L95-D97 VanDerWaalsContact O-N 3.13Å | ||
| 98 | G | 28.8 | Very low | 33.3 | Very low | 61 Ų | 61 | 104.3 Ų | 104.3 | 63% | 0.629 | 62% | 0.618 | S | S | * | * | trans | -129.6 | 74.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | S96 I100 | S96-G98 PolarHBondContact O-N 3.25Å; G98-I100 VanDerWaalsContact C-N 3.28Å; G98-I100 PolarHBondContact O-N 2.82Å | ||
| 99 | S | 29.6 | Very low | 34.4 | Very low | 109 Ų | 109 | 102.2 Ų | 102.2 | 76% | 0.762 | 60% | 0.596 | S | S | * | * | trans | -71.4 | 81.2 | -179.5 | 41.2 | 0 | 0 | 0 | 0 | 110.9 | L101 | S99-L101 PolarHBondContact O-N 3.44Š| ||
| 100 | I | 30.2 | Very low | 35.6 | Very low | 115 Ų | 115 | 99.6 Ų | 99.6 | 59% | 0.59 | 58% | 0.58 | S | S | * | * | trans | -61.3 | 109.9 | -178 | -60.3 | 167.8 | 0 | 0 | 0 | 109.7 | G98 M102 | G98-I100 VanDerWaalsContact C-N 3.28Å; G98-I100 PolarHBondContact O-N 2.82Å; I100-M102 HydrophobicContact CB-CG 4.32Å; I100-M102 HydrophobicContact CG2-CG 3.74Å; I100-M102 PolarHBondContact O-N 3.49Å | ||
| 101 | L | 33.7 | Very low | 37 | Very low | 112 Ų | 112 | 95.4 Ų | 95.4 | 59% | 0.586 | 57% | 0.565 | S | S | * | * | trans | -64.4 | 84.6 | 161.2 | -102.5 | 160.7 | 0 | 0 | 0 | 108.6 | S99 S103 | S99-L101 PolarHBondContact O-N 3.44Å; L101-S103 PolarHBondContact O-N 3.5Å; L101-S103 VanDerWaalsContact O-N 3.1Å | ||
| 102 | M | 33.8 | Very low | 38.5 | Very low | 55 Ų | 55 | 92.6 Ų | 92.6 | 27% | 0.271 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 116 | -175.9 | -64.2 | -166.6 | 173.6 | 0 | 0 | 110.1 | I100 D108 M109 L112 | I100-M102 HydrophobicContact CB-CG 4.32Å; I100-M102 HydrophobicContact CG2-CG 3.74Å; I100-M102 PolarHBondContact O-N 3.49Å; M102-D108 HydrophobicContact CE-CB 3.76Å; M102-D108 HydrophobicContact CG-CB 4.38Å; M102-D108 VanDerWaalsContact SD-C 3.57Å; M102-D108 HydrophobicContact SD-CB 3.89Å; M102-D108 VanDerWaalsContact SD-O 3.38Å; M102-M109 HydrophobicContact CB-CB 4.23Å; M102-M109 HydrophobicContact CB-CG 3.63Å; M102-L112 HydrophobicContact SD-CB 3.8Å; M102-L112 HydrophobicContact SD-CD2 3.66Å; M102-L112 HydrophobicContact SD-CG 4.29Å |
| 103 | S | 37.9 | Very low | 40 | Very low | 21 Ų | 21 | 86.6 Ų | 86.6 | 15% | 0.147 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 142.4 | -178.2 | -62.3 | 0 | 0 | 0 | 0 | 110.3 | L101 G105 S106 M109 Y1163 | L101-S103 PolarHBondContact O-N 3.5Å; L101-S103 VanDerWaalsContact O-N 3.1Å; S103-G105 PolarHBondContact O-N 2.97Å; S103-S106 WeakPolarHBondContact O-CB 3.37Å; S103-S106 PolarHBondContact O-N 2.7Å; S103-M109 WeakPolarHBondContact O-CB 3.12Å; S103-Y1163 VanDerWaalsContact CB-CZ 3.41Å; S103-Y1163 VanDerWaalsContact CB-OH 3.23Å; S103-Y1163 WeakPolarHBondContact CB-OH 3.43Å; S103-Y1163 PolarHBondContact OG-OH 3.36Å |
| 104 | P | 39.7 | Very low | 41.4 | Very low | 39 Ų | 39 | 87.7 Ų | 87.7 | 25% | 0.253 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 134 | 172.9 | -25.2 | 34.8 | 0 | 0 | 0 | 111.2 | S106 R1127 | P104-S106 VanDerWaalsContact C-N 3.28Å; P104-S106 PolarHBondContact O-N 3.24Å; P104-R1127 HydrophobicContact CG-CG 4.19Å |
| 105 | G | 42.9 | Very low | 42.8 | Very low | 71 Ų | 71 | 86.3 Ų | 86.3 | 73% | 0.732 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | -1.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | S103 | S103-G105 PolarHBondContact O-N 2.97Š|
| 106 | S | 48.3 | Very low | 43.9 | Very low | 21 Ų | 21 | 83.8 Ų | 83.8 | 15% | 0.147 | 50% | 0.497 | C | S | . | . | trans | -65.7 | 149.7 | 169 | 103.5 | 0 | 0 | 0 | 0 | 110.3 | S103 P104 D108 M109 V110 | S103-S106 WeakPolarHBondContact O-CB 3.37Å; S103-S106 PolarHBondContact O-N 2.7Å; P104-S106 VanDerWaalsContact C-N 3.28Å; P104-S106 PolarHBondContact O-N 3.24Å; S106-D108 WeakPolarHBondContact CB-OD2 3.21Å; S106-D108 PolarHBondContact O-N 3.36Å; S106-D108 WeakPolarHBondContact OG-CB 3.5Å; S106-D108 PolarHBondContact OG-N 2.99Å; S106-D108 PolarHBondContact OG-OD2 2.81Å; S106-M109 PolarHBondContact O-N 3.28Å; S106-M109 PolarHBondContact OG-N 2.94Å; S106-M109 VanDerWaalsContact OG-N 3.08Å; S106-V110 PolarHBondContact O-N 3Å | ||
| 107 | K | 54.7 | Low | 45.1 | Very low | 172 Ų | 172 | 81.6 Ų | 81.6 | 75% | 0.748 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56.8 | -31.5 | 174.8 | -70.5 | -178.8 | 179.7 | 175.5 | 0 | 111.8 | A111 | K107-A111 VanDerWaalsContact O-CB 3.24Å; K107-A111 WeakPolarHBondContact O-CB 3.44Å; K107-A111 PolarHBondContact O-N 2.92Å |
| 108 | D | 46.2 | Very low | 46.4 | Very low | 79 Ų | 79 | 79.1 Ų | 79.1 | 42% | 0.422 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.2 | -36.3 | 178.4 | -24.9 | -82.2 | 0 | 0 | 0 | 111.1 | M102 S106 A111 L112 | M102-D108 HydrophobicContact CE-CB 3.76Å; M102-D108 HydrophobicContact CG-CB 4.38Å; M102-D108 VanDerWaalsContact SD-C 3.57Å; M102-D108 HydrophobicContact SD-CB 3.89Å; M102-D108 VanDerWaalsContact SD-O 3.38Å; S106-D108 WeakPolarHBondContact CB-OD2 3.21Å; S106-D108 PolarHBondContact O-N 3.36Å; S106-D108 WeakPolarHBondContact OG-CB 3.5Å; S106-D108 PolarHBondContact OG-N 2.99Å; S106-D108 PolarHBondContact OG-OD2 2.81Å; D108-A111 CarbonylContact O-C 3.1Å; D108-A111 PolarHBondContact O-N 2.94Å; D108-L112 WeakPolarHBondContact O-CB 3.33Å; D108-L112 PolarHBondContact O-N 3.27Å |
| 109 | M | 48.8 | Very low | 47.5 | Very low | 69 Ų | 69 | 82.1 Ų | 82.1 | 34% | 0.34 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.7 | -35.2 | 173.1 | -125.9 | -76.7 | -80.3 | 0 | 0 | 111.9 | M102 S103 S106 G113 | M102-M109 HydrophobicContact CB-CB 4.23Å; M102-M109 HydrophobicContact CB-CG 3.63Å; S103-M109 WeakPolarHBondContact O-CB 3.12Å; S106-M109 PolarHBondContact O-N 3.28Å; S106-M109 PolarHBondContact OG-N 2.94Å; S106-M109 VanDerWaalsContact OG-N 3.08Å; M109-G113 PolarHBondContact O-N 2.74Å |
| 110 | V | 52.7 | Low | 48.7 | Very low | 80 Ų | 80 | 81.2 Ų | 81.2 | 49% | 0.485 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.3 | -43.8 | 170.2 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | S106 L112 G113 M114 | S106-V110 PolarHBondContact O-N 3Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 3.28Å; V110-G113 PolarHBondContact O-N 2.89Å; V110-M114 HydrophobicContact CG1-SD 4.45Å; V110-M114 WeakPolarHBondContact O-CG 3.25Å; V110-M114 PolarHBondContact O-N 2.89Å |
| 111 | A | 55.3 | Low | 49.8 | Very low | 46 Ų | 46 | 78.8 Ų | 78.8 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.7 | -34.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K107 D108 Q115 | K107-A111 VanDerWaalsContact O-CB 3.24Å; K107-A111 WeakPolarHBondContact O-CB 3.44Å; K107-A111 PolarHBondContact O-N 2.92Å; D108-A111 CarbonylContact O-C 3.1Å; D108-A111 PolarHBondContact O-N 2.94Å; A111-Q115 WeakPolarHBondContact O-CB 3.48Å; A111-Q115 VanDerWaalsContact O-CG 3.32Å; A111-Q115 WeakPolarHBondContact O-CG 3.49Å; A111-Q115 PolarHBondContact O-N 2.99Å |
| 112 | L | 56.6 | Low | 50.8 | Low | 54 Ų | 54 | 76.7 Ų | 76.7 | 28% | 0.283 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | 173 | -176.4 | 66.3 | 0 | 0 | 0 | 111 | M102 D108 V110 Q115 M116 | M102-L112 HydrophobicContact SD-CB 3.8Å; M102-L112 HydrophobicContact SD-CD2 3.66Å; M102-L112 HydrophobicContact SD-CG 4.29Å; D108-L112 WeakPolarHBondContact O-CB 3.33Å; D108-L112 PolarHBondContact O-N 3.27Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 3.28Å; L112-Q115 PolarHBondContact O-N 3.02Å; L112-M116 HydrophobicContact CD1-CE 4.12Å; L112-M116 HydrophobicContact CD2-CE 4.09Å; L112-M116 HydrophobicContact CG-CE 4Å; L112-M116 HydrophobicContact CG-SD 4.43Å; L112-M116 VanDerWaalsContact O-CB 3.3Å; L112-M116 WeakPolarHBondContact O-CB 3.4Å; L112-M116 VanDerWaalsContact O-CG 3.26Å; L112-M116 WeakPolarHBondContact O-CG 2.91Å; L112-M116 PolarHBondContact O-N 3.49Å |
| 113 | G | 59.2 | Low | 51.6 | Low | 38 Ų | 38 | 78.9 Ų | 78.9 | 39% | 0.392 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M109 V110 M116 A117 | M109-G113 PolarHBondContact O-N 2.74Å; V110-G113 PolarHBondContact O-N 2.89Å; G113-M116 PolarHBondContact O-N 2.94Å; G113-A117 WeakPolarHBondContact O-CB 3.3Å; G113-A117 PolarHBondContact O-N 3.43Å |
| 114 | M | 59.6 | Low | 51.9 | Low | 126 Ų | 126 | 80 Ų | 80 | 62% | 0.621 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.6 | -45.2 | 172.4 | -74.5 | 179.1 | 162.5 | 0 | 0 | 112 | V110 M116 A117 D118 | V110-M114 HydrophobicContact CG1-SD 4.45Å; V110-M114 WeakPolarHBondContact O-CG 3.25Å; V110-M114 PolarHBondContact O-N 2.89Å; M114-M116 VanDerWaalsContact C-N 3.31Å; M114-M116 PolarHBondContact O-N 3.29Å; M114-A117 CarbonylContact O-C 3.36Å; M114-A117 WeakPolarHBondContact O-CB 3.47Å; M114-A117 PolarHBondContact O-N 3.43Å; M114-D118 WeakPolarHBondContact O-CB 3.42Å; M114-D118 PolarHBondContact O-N 3.11Å |
| 115 | Q | 55.4 | Low | 51.9 | Low | 130 Ų | 130 | 83.6 Ų | 83.6 | 61% | 0.607 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.1 | -33.4 | 174.7 | -79.9 | -176.4 | -5.9 | 0 | 0 | 112.7 | A111 L112 H119 | A111-Q115 WeakPolarHBondContact O-CB 3.48Å; A111-Q115 VanDerWaalsContact O-CG 3.32Å; A111-Q115 WeakPolarHBondContact O-CG 3.49Å; A111-Q115 PolarHBondContact O-N 2.99Å; L112-Q115 PolarHBondContact O-N 3.02Å; Q115-H119 WeakPolarHBondContact O-CB 3.38Å; Q115-H119 PolarHBondContact O-N 3.49Å |
| 116 | M | 53.7 | Low | 52.2 | Low | 116 Ų | 116 | 82.2 Ų | 82.2 | 57% | 0.571 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -70.3 | -38.9 | 173.1 | -77.4 | -177 | 176.7 | 0 | 0 | 111.1 | L112 G113 M114 H119 V120 | L112-M116 HydrophobicContact CD1-CE 4.12Å; L112-M116 HydrophobicContact CD2-CE 4.09Å; L112-M116 HydrophobicContact CG-CE 4Å; L112-M116 HydrophobicContact CG-SD 4.43Å; L112-M116 VanDerWaalsContact O-CB 3.3Å; L112-M116 WeakPolarHBondContact O-CB 3.4Å; L112-M116 VanDerWaalsContact O-CG 3.26Å; L112-M116 WeakPolarHBondContact O-CG 2.91Å; L112-M116 PolarHBondContact O-N 3.49Å; G113-M116 PolarHBondContact O-N 2.94Å; M114-M116 VanDerWaalsContact C-N 3.31Å; M114-M116 PolarHBondContact O-N 3.29Å; M116-H119 PolarHBondContact O-N 3.19Å; M116-V120 WeakPolarHBondContact O-CB 3.44Å; M116-V120 VanDerWaalsContact O-CG2 3.24Å; M116-V120 WeakPolarHBondContact O-CG2 3.48Å; M116-V120 PolarHBondContact O-N 2.7Å |
| 117 | A | 54.9 | Low | 51.9 | Low | 48 Ų | 48 | 85.7 Ų | 85.7 | 40% | 0.397 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -50.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G113 M114 H119 V120 L121 | G113-A117 WeakPolarHBondContact O-CB 3.3Å; G113-A117 PolarHBondContact O-N 3.43Å; M114-A117 CarbonylContact O-C 3.36Å; M114-A117 WeakPolarHBondContact O-CB 3.47Å; M114-A117 PolarHBondContact O-N 3.43Å; A117-H119 VanDerWaalsContact C-N 3.32Å; A117-H119 PolarHBondContact O-N 2.81Å; A117-V120 PolarHBondContact O-N 3.46Å; A117-L121 WeakPolarHBondContact O-CB 3.5Å; A117-L121 VanDerWaalsContact O-CG 3.25Å; A117-L121 WeakPolarHBondContact O-CG 3.08Å; A117-L121 PolarHBondContact O-N 3.14Å |
| 118 | D | 53 | Low | 51.3 | Low | 100 Ų | 100 | 83.2 Ų | 83.2 | 54% | 0.535 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60 | -39.4 | 175.2 | -75.9 | -21.2 | 0 | 0 | 0 | 112.1 | M114 L121 S122 | M114-D118 WeakPolarHBondContact O-CB 3.42Å; M114-D118 PolarHBondContact O-N 3.11Å; D118-L121 PolarHBondContact O-N 3.25Å; D118-S122 WeakPolarHBondContact O-CB 3.26Å; D118-S122 PolarHBondContact O-N 2.75Å; D118-S122 PolarHBondContact O-OG 3.42Å |
| 119 | H | 51.7 | Low | 51.6 | Low | 124 Ų | 124 | 79.9 Ų | 79.9 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -70.1 | -34.9 | 177.1 | -168 | -85.6 | 0 | 0 | 0 | 111.8 | Q115 M116 A117 S122 N123 | Q115-H119 WeakPolarHBondContact O-CB 3.38Å; Q115-H119 PolarHBondContact O-N 3.49Å; M116-H119 PolarHBondContact O-N 3.19Å; A117-H119 VanDerWaalsContact C-N 3.32Å; A117-H119 PolarHBondContact O-N 2.81Å; H119-S122 WeakPolarHBondContact CA-OG 3.14Å; H119-S122 PolarHBondContact O-OG 3.45Å; H119-N123 PolarHBondContact CE1-ND2 3.48Å; H119-N123 VanDerWaalsContact CE1-ND2 3.27Å; H119-N123 PolarHBondContact ND1-ND2 3.14Å; H119-N123 PolarHBondContact NE2-ND2 3.21Å; H119-N123 VanDerWaalsContact O-CB 3.29Å; H119-N123 WeakPolarHBondContact O-CB 3.33Å; H119-N123 PolarHBondContact O-N 2.91Å; H119-N123 VanDerWaalsContact O-N 3.15Å; H119-N123 PolarHBondContact O-ND2 3.08Å |
| 120 | V | 55.1 | Low | 51.7 | Low | 90 Ų | 90 | 80.2 Ų | 80.2 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.6 | -42.7 | 172.1 | 167.7 | 0 | 0 | 0 | 0 | 110.9 | M116 A117 N123 S124 | M116-V120 WeakPolarHBondContact O-CB 3.44Å; M116-V120 VanDerWaalsContact O-CG2 3.24Å; M116-V120 WeakPolarHBondContact O-CG2 3.48Å; M116-V120 PolarHBondContact O-N 2.7Å; A117-V120 PolarHBondContact O-N 3.46Å; V120-N123 CarbonylContact O-C 3.56Å; V120-N123 PolarHBondContact O-N 2.92Å; V120-S124 VanDerWaalsContact O-CB 3.25Å; V120-S124 WeakPolarHBondContact O-CB 3.38Å; V120-S124 PolarHBondContact O-N 3.39Å; V120-S124 PolarHBondContact O-OG 2.86Å |
| 121 | L | 52.9 | Low | 51.9 | Low | 63 Ų | 63 | 82.6 Ų | 82.6 | 33% | 0.33 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.8 | -39.2 | -179.7 | -70.2 | 169.3 | 0 | 0 | 0 | 112.3 | A117 D118 S124 L132 R133 | A117-L121 WeakPolarHBondContact O-CB 3.5Å; A117-L121 VanDerWaalsContact O-CG 3.25Å; A117-L121 WeakPolarHBondContact O-CG 3.08Å; A117-L121 PolarHBondContact O-N 3.14Å; D118-L121 PolarHBondContact O-N 3.25Å; L121-S124 PolarHBondContact O-N 3.34Å; L121-L132 HydrophobicContact CD2-CD1 3.91Å; L121-R133 PolarHBondContact O-NE 2.98Å; L121-R133 PolarHBondContact O-NH2 3.29Å |
| 122 | S | 53.8 | Low | 51.4 | Low | 69 Ų | 69 | 84.5 Ų | 84.5 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.4 | -36.1 | 174 | 55 | 0 | 0 | 0 | 0 | 112.7 | D118 H119 R133 | D118-S122 WeakPolarHBondContact O-CB 3.26Å; D118-S122 PolarHBondContact O-N 2.75Å; D118-S122 PolarHBondContact O-OG 3.42Å; H119-S122 WeakPolarHBondContact CA-OG 3.14Å; H119-S122 PolarHBondContact O-OG 3.45Å; S122-R133 PolarHBondContact O-NH2 3.1Å |
| 123 | N | 50.9 | Low | 51.1 | Low | 101 Ų | 101 | 84.9 Ų | 84.9 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 3.6 | 176.6 | -68.7 | -81.7 | 0 | 0 | 0 | 114.5 | H119 V120 P125 | H119-N123 PolarHBondContact CE1-ND2 3.48Å; H119-N123 VanDerWaalsContact CE1-ND2 3.27Å; H119-N123 PolarHBondContact ND1-ND2 3.14Å; H119-N123 PolarHBondContact NE2-ND2 3.21Å; H119-N123 VanDerWaalsContact O-CB 3.29Å; H119-N123 WeakPolarHBondContact O-CB 3.33Å; H119-N123 PolarHBondContact O-N 2.91Å; H119-N123 VanDerWaalsContact O-N 3.15Å; H119-N123 PolarHBondContact O-ND2 3.08Å; V120-N123 CarbonylContact O-C 3.56Å; V120-N123 PolarHBondContact O-N 2.92Å; N123-P125 WeakPolarHBondContact O-CD 3.49Å |
| 124 | S | 44.7 | Very low | 50.8 | Low | 43 Ų | 43 | 86.1 Ų | 86.1 | 30% | 0.301 | 48% | 0.477 | S | S | . | . | trans | -87.1 | 118.9 | 176.4 | -74.4 | 0 | 0 | 0 | 0 | 112 | V120 L121 G126 A129 R133 | V120-S124 VanDerWaalsContact O-CB 3.25Å; V120-S124 WeakPolarHBondContact O-CB 3.38Å; V120-S124 PolarHBondContact O-N 3.39Å; V120-S124 PolarHBondContact O-OG 2.86Å; L121-S124 PolarHBondContact O-N 3.34Å; S124-G126 PolarHBondContact O-N 2.88Å; S124-A129 WeakPolarHBondContact O-CB 3.15Å; S124-R133 PolarHBondContact O-NH2 2.92Å | ||
| 125 | P | 40.2 | Very low | 50.5 | Low | 116 Ų | 116 | 83.3 Ų | 83.3 | 75% | 0.753 | 46% | 0.464 | S | S | * | . | trans | -87.1 | 105.7 | 172.4 | 32.9 | -30.6 | 0 | 0 | 0 | 110.3 | N123 | N123-P125 WeakPolarHBondContact O-CD 3.49Š| ||
| 126 | G | 48.8 | Very low | 49.9 | Very low | 42 Ų | 42 | 80.6 Ų | 80.6 | 43% | 0.433 | 46% | 0.459 | S | S | . | . | S | Bend | trans | 179.2 | 156.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | S124 N128 A129 Q130 | S124-G126 PolarHBondContact O-N 2.88Å; G126-N128 PolarHBondContact O-N 2.99Å; G126-A129 PolarHBondContact O-N 3.45Å; G126-A129 VanDerWaalsContact O-N 3.16Å; G126-Q130 PolarHBondContact O-N 2.92Å |
| 127 | S | 41.1 | Very low | 49.4 | Very low | 93 Ų | 93 | 80.1 Ų | 80.1 | 65% | 0.65 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -52.8 | -39.3 | 178.6 | 47.2 | 0 | 0 | 0 | 0 | 112.7 | Q130 F131 | S127-Q130 PolarHBondContact O-N 3.12Å; S127-F131 WeakPolarHBondContact O-CB 3.43Å; S127-F131 PolarHBondContact O-N 2.81Å |
| 128 | N | 42.6 | Very low | 48.8 | Very low | 120 Ų | 120 | 82.9 Ų | 82.9 | 64% | 0.642 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -74.2 | -34 | -175.3 | -55.7 | 11.7 | 0 | 0 | 0 | 111.2 | G126 L132 | G126-N128 PolarHBondContact O-N 2.99Å; N128-L132 WeakPolarHBondContact O-CB 3.46Å; N128-L132 WeakPolarHBondContact O-CG 3.14Å; N128-L132 PolarHBondContact O-N 3.4Å |
| 129 | A | 52.2 | Low | 48.2 | Very low | 9 Ų | 9 | 84.9 Ų | 84.9 | 7% | 0.074 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -71.4 | -33.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S124 G126 R133 | S124-A129 WeakPolarHBondContact O-CB 3.15Å; G126-A129 PolarHBondContact O-N 3.45Å; G126-A129 VanDerWaalsContact O-N 3.16Å; A129-R133 WeakPolarHBondContact O-CG 3.46Å; A129-R133 PolarHBondContact O-N 2.77Å |
| 130 | Q | 52.4 | Low | 47.5 | Very low | 77 Ų | 77 | 82.9 Ų | 82.9 | 36% | 0.36 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.3 | -44.7 | 171.3 | -167.8 | 58.4 | 42.6 | 0 | 0 | 111.4 | G126 S127 L132 R133 D134 | G126-Q130 PolarHBondContact O-N 2.92Å; S127-Q130 PolarHBondContact O-N 3.12Å; Q130-L132 VanDerWaalsContact C-N 3.29Å; Q130-L132 PolarHBondContact O-N 3.34Å; Q130-R133 CarbonylContact O-C 3.42Å; Q130-R133 WeakPolarHBondContact O-CA 3.32Å; Q130-R133 WeakPolarHBondContact O-CB 3.5Å; Q130-R133 PolarHBondContact O-N 3.06Å; Q130-D134 PolarHBondContact NE2-OD1 3.31Å; Q130-D134 WeakPolarHBondContact O-CB 3.37Å; Q130-D134 PolarHBondContact O-N 3.32Å |
| 131 | F | 55 | Low | 46.6 | Very low | 129 Ų | 129 | 84.1 Ų | 84.1 | 57% | 0.566 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.3 | -38.4 | 175.2 | -179.9 | -113.2 | 0 | 0 | 0 | 112.8 | S127 D134 I135 | S127-F131 WeakPolarHBondContact O-CB 3.43Å; S127-F131 PolarHBondContact O-N 2.81Å; F131-D134 PolarHBondContact O-N 3.39Å; F131-I135 HydrophobicContact CD1-CD1 3.89Å; F131-I135 HydrophobicContact CD2-CD1 4.48Å; F131-I135 HydrophobicContact CE1-CD1 3.5Å; F131-I135 VanDerWaalsContact CE1-CD1 3.5Å; F131-I135 HydrophobicContact CE2-CD1 4.14Å; F131-I135 HydrophobicContact CG-CD1 4.38Å; F131-I135 HydrophobicContact CZ-CD1 3.65Å; F131-I135 WeakPolarHBondContact O-CB 3.38Å; F131-I135 WeakPolarHBondContact O-CG1 3.46Å; F131-I135 PolarHBondContact O-N 3.39Å |
| 132 | L | 45.8 | Very low | 45.6 | Very low | 86 Ų | 86 | 84.1 Ų | 84.1 | 45% | 0.45 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.8 | -33.2 | 174 | -71.2 | 171.4 | 0 | 0 | 0 | 113.1 | L121 N128 Q130 S136 | L121-L132 HydrophobicContact CD2-CD1 3.91Å; N128-L132 WeakPolarHBondContact O-CB 3.46Å; N128-L132 WeakPolarHBondContact O-CG 3.14Å; N128-L132 PolarHBondContact O-N 3.4Å; Q130-L132 VanDerWaalsContact C-N 3.29Å; Q130-L132 PolarHBondContact O-N 3.34Å; L132-S136 WeakPolarHBondContact O-CB 3.34Å; L132-S136 PolarHBondContact O-N 3.16Å |
| 133 | R | 50.8 | Low | 44.4 | Very low | 62 Ų | 62 | 90.4 Ų | 90.4 | 23% | 0.234 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 167.2 | -73.8 | 176.7 | -143.8 | 133.7 | 6.1 | 111.2 | L121 S122 S124 A129 Q130 I135 S136 E137 | L121-R133 PolarHBondContact O-NE 2.98Å; L121-R133 PolarHBondContact O-NH2 3.29Å; S122-R133 PolarHBondContact O-NH2 3.1Å; S124-R133 PolarHBondContact O-NH2 2.92Å; A129-R133 WeakPolarHBondContact O-CG 3.46Å; A129-R133 PolarHBondContact O-N 2.77Å; Q130-R133 CarbonylContact O-C 3.42Å; Q130-R133 WeakPolarHBondContact O-CA 3.32Å; Q130-R133 WeakPolarHBondContact O-CB 3.5Å; Q130-R133 PolarHBondContact O-N 3.06Å; R133-I135 VanDerWaalsContact C-N 3.26Å; R133-I135 PolarHBondContact O-N 3.36Å; R133-S136 CarbonylContact O-C 3.41Å; R133-S136 WeakPolarHBondContact O-CA 3.45Å; R133-S136 WeakPolarHBondContact O-CB 3.43Å; R133-S136 PolarHBondContact O-N 3.06Å; R133-E137 VanDerWaalsContact O-CB 3.31Å; R133-E137 WeakPolarHBondContact O-CB 3.36Å; R133-E137 WeakPolarHBondContact O-CG 3.41Å; R133-E137 PolarHBondContact O-N 3.43Å |
| 134 | D | 52.7 | Low | 43.8 | Very low | 64 Ų | 64 | 91.3 Ų | 91.3 | 34% | 0.342 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -37.7 | 178.8 | -59.6 | -19.8 | 0 | 0 | 0 | 110.4 | Q130 F131 N138 | Q130-D134 PolarHBondContact NE2-OD1 3.31Å; Q130-D134 WeakPolarHBondContact O-CB 3.37Å; Q130-D134 PolarHBondContact O-N 3.32Å; F131-D134 PolarHBondContact O-N 3.39Å; D134-N138 WeakPolarHBondContact O-CB 3.44Å; D134-N138 PolarHBondContact O-N 2.86Å; D134-N138 PolarHBondContact O-ND2 2.92Å |
| 135 | I | 53.4 | Low | 43.2 | Very low | 68 Ų | 68 | 97.6 Ų | 97.6 | 35% | 0.349 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 171.1 | -74.8 | 168.6 | 0 | 0 | 0 | 111.2 | F131 R133 E137 L139 | F131-I135 HydrophobicContact CD1-CD1 3.89Å; F131-I135 HydrophobicContact CD2-CD1 4.48Å; F131-I135 HydrophobicContact CE1-CD1 3.5Å; F131-I135 VanDerWaalsContact CE1-CD1 3.5Å; F131-I135 HydrophobicContact CE2-CD1 4.14Å; F131-I135 HydrophobicContact CG-CD1 4.38Å; F131-I135 HydrophobicContact CZ-CD1 3.65Å; F131-I135 WeakPolarHBondContact O-CB 3.38Å; F131-I135 WeakPolarHBondContact O-CG1 3.46Å; F131-I135 PolarHBondContact O-N 3.39Å; R133-I135 VanDerWaalsContact C-N 3.26Å; R133-I135 PolarHBondContact O-N 3.36Å; I135-E137 PolarHBondContact O-N 3.14Å; I135-L139 HydrophobicContact CG2-CD1 3.69Å; I135-L139 HydrophobicContact CG2-CG 4.36Å; I135-L139 VanDerWaalsContact O-CB 3.24Å; I135-L139 WeakPolarHBondContact O-CB 3.43Å; I135-L139 VanDerWaalsContact O-CG 3.24Å; I135-L139 WeakPolarHBondContact O-CG 3.3Å; I135-L139 PolarHBondContact O-N 3.07Å |
| 136 | S | 41.3 | Very low | 42.7 | Very low | 73 Ų | 73 | 103.5 Ų | 103.5 | 51% | 0.51 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 178.1 | -171.5 | 0 | 0 | 0 | 0 | 112.7 | L132 R133 S140 | L132-S136 WeakPolarHBondContact O-CB 3.34Å; L132-S136 PolarHBondContact O-N 3.16Å; R133-S136 CarbonylContact O-C 3.41Å; R133-S136 WeakPolarHBondContact O-CA 3.45Å; R133-S136 WeakPolarHBondContact O-CB 3.43Å; R133-S136 PolarHBondContact O-N 3.06Å; S136-S140 WeakPolarHBondContact O-CB 3.24Å; S136-S140 PolarHBondContact O-N 3.1Å; S136-S140 VanDerWaalsContact O-N 3.08Å; S136-S140 PolarHBondContact O-OG 2.98Å |
| 137 | E | 43.8 | Very low | 42.1 | Very low | 106 Ų | 106 | 107.2 Ų | 107.2 | 50% | 0.495 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -75.3 | -35.6 | -179.7 | -70.6 | 179.3 | -153.6 | 0 | 0 | 111.8 | R133 I135 S140 N141 | R133-E137 VanDerWaalsContact O-CB 3.31Å; R133-E137 WeakPolarHBondContact O-CB 3.36Å; R133-E137 WeakPolarHBondContact O-CG 3.41Å; R133-E137 PolarHBondContact O-N 3.43Å; I135-E137 PolarHBondContact O-N 3.14Å; E137-S140 WeakPolarHBondContact CA-OG 3.15Å; E137-S140 PolarHBondContact O-OG 3.22Å; E137-N141 WeakPolarHBondContact O-CB 3.46Å; E137-N141 PolarHBondContact O-N 3.49Å; E137-N141 VanDerWaalsContact O-N 3.14Å; E137-N141 PolarHBondContact O-ND2 2.79Å |
| 138 | N | 42.6 | Very low | 41.6 | Very low | 106 Ų | 106 | 107.3 Ų | 107.3 | 57% | 0.567 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73.5 | -40.2 | 172 | -77.2 | -73.4 | 0 | 0 | 0 | 112 | D134 S140 N141 A142 | D134-N138 WeakPolarHBondContact O-CB 3.44Å; D134-N138 PolarHBondContact O-N 2.86Å; D134-N138 PolarHBondContact O-ND2 2.92Å; N138-S140 PolarHBondContact O-N 3.17Å; N138-N141 PolarHBondContact O-N 3.2Å; N138-A142 WeakPolarHBondContact O-CB 3.35Å; N138-A142 PolarHBondContact O-N 2.75Å |
| 139 | L | 40.3 | Very low | 41.2 | Very low | 141 Ų | 141 | 107.6 Ų | 107.6 | 74% | 0.738 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.5 | -24.6 | 173.9 | -74.7 | 172 | 0 | 0 | 0 | 113 | I135 | I135-L139 HydrophobicContact CG2-CD1 3.69Å; I135-L139 HydrophobicContact CG2-CG 4.36Å; I135-L139 VanDerWaalsContact O-CB 3.24Å; I135-L139 WeakPolarHBondContact O-CB 3.43Å; I135-L139 VanDerWaalsContact O-CG 3.24Å; I135-L139 WeakPolarHBondContact O-CG 3.3Å; I135-L139 PolarHBondContact O-N 3.07Å |
| 140 | S | 37.9 | Very low | 40.3 | Very low | 83 Ų | 83 | 115.3 Ų | 115.3 | 58% | 0.58 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -93.1 | -8.4 | 175.6 | 52.5 | 0 | 0 | 0 | 0 | 115 | S136 E137 N138 | S136-S140 WeakPolarHBondContact O-CB 3.24Å; S136-S140 PolarHBondContact O-N 3.1Å; S136-S140 VanDerWaalsContact O-N 3.08Å; S136-S140 PolarHBondContact O-OG 2.98Å; E137-S140 WeakPolarHBondContact CA-OG 3.15Å; E137-S140 PolarHBondContact O-OG 3.22Å; N138-S140 PolarHBondContact O-N 3.17Å |
| 141 | N | 35.1 | Very low | 39.1 | Very low | 116 Ų | 116 | 116.5 Ų | 116.5 | 62% | 0.62 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -120 | -9.2 | 179.1 | -71.6 | -79.2 | 0 | 0 | 0 | 115.2 | E137 N138 F143 | E137-N141 WeakPolarHBondContact O-CB 3.46Å; E137-N141 PolarHBondContact O-N 3.49Å; E137-N141 VanDerWaalsContact O-N 3.14Å; E137-N141 PolarHBondContact O-ND2 2.79Å; N138-N141 PolarHBondContact O-N 3.2Å; N141-F143 PolarHBondContact O-N 3.41Å; N141-F143 VanDerWaalsContact O-N 3.12Å |
| 142 | A | 31.6 | Very low | 37.9 | Very low | 62 Ų | 62 | 117.5 Ų | 117.5 | 51% | 0.512 | 65% | 0.647 | S | S | . | * | trans | -87.6 | 55.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | N138 | N138-A142 WeakPolarHBondContact O-CB 3.35Å; N138-A142 PolarHBondContact O-N 2.75Å | ||
| 143 | F | 29.9 | Very low | 37.2 | Very low | 202 Ų | 202 | 120.4 Ų | 120.4 | 89% | 0.886 | 66% | 0.663 | S | S | * | * | trans | -137.6 | 93.5 | 163.2 | -90.6 | -71.7 | 0 | 0 | 0 | 112.7 | N141 | N141-F143 PolarHBondContact O-N 3.41Å; N141-F143 VanDerWaalsContact O-N 3.12Å | ||
| 144 | P | 37.2 | Very low | 36.3 | Very low | 120 Ų | 120 | 120.9 Ų | 120.9 | 78% | 0.779 | 69% | 0.686 | S | S | * | * | trans | -77.6 | 123.4 | 177.5 | 30 | -33 | 0 | 0 | 0 | 112 | R146 | P144-R146 PolarHBondContact O-N 3.22Å; P144-R146 VanDerWaalsContact O-N 3.15Å | ||
| 145 | H | 32.7 | Very low | 35.3 | Very low | 175 Ų | 175 | 122.8 Ų | 122.8 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | trans | -61.3 | 113.7 | 167.8 | -85.1 | -71.8 | 0 | 0 | 0 | 110.7 | ||||
| 146 | R | 30.5 | Very low | 34.3 | Very low | 240 Ų | 240 | 128.5 Ų | 128.5 | 91% | 0.906 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 122.6 | 170.4 | -154 | 178.2 | -162.5 | -161.6 | 5 | 109.8 | P144 | P144-R146 PolarHBondContact O-N 3.22Å; P144-R146 VanDerWaalsContact O-N 3.15Å |
| 147 | P | 34.4 | Very low | 33.7 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 148.7 | 179.5 | 29.2 | -34.4 | 0 | 0 | 0 | 111.5 | ||
| 148 | A | 31.4 | Very low | 33.1 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 140.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 149 | P | 34.4 | Very low | 32.5 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 129.3 | 178.5 | 31.6 | -33 | 0 | 0 | 0 | 111.2 | ||
| 150 | N | 32.7 | Very low | 32.1 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 140.8 | 166.9 | -99 | -24.4 | 0 | 0 | 0 | 111 | ||
| 151 | S | 27.9 | Very low | 31.7 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 147 | 176.8 | 179.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 152 | L | 30.5 | Very low | 31.5 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | -167.6 | 117.7 | 123.5 | -101.9 | 162.6 | 0 | 0 | 0 | 114.1 | |||||
| 153 | N | 31.1 | Very low | 31.3 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | 54.6 | 113.9 | 148 | -66.7 | -6.3 | 0 | 0 | 0 | 123.6 | ||||
| 154 | G | 31.5 | Very low | 31.3 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | 101.1 | 150.4 | 134.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 155 | S | 31.2 | Very low | 30.9 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -166.2 | 138.7 | -9.8 | -89.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 156 | Q | 31.4 | Very low | 30.8 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | 66.4 | 151.3 | 160.2 | -63.5 | 169.1 | 20.7 | 0 | 0 | 116.8 | ||||
| 157 | S | 29.5 | Very low | 30.8 | Very low | 94 Ų | 94 | 128 Ų | 128 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | cis | -170.1 | 171.8 | -16.5 | 56.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 158 | V | 30.9 | Very low | 30.6 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | 70.1 | 108 | 160.9 | 172.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 159 | A | 31.1 | Very low | 30.5 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | 81.3 | 149.5 | 69.8 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 160 | L | 30.8 | Very low | 30.2 | Very low | 143 Ų | 143 | 135 Ų | 135 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | cis | -163.5 | 144.5 | 1.6 | -117 | 165.8 | 0 | 0 | 0 | 111.8 | ||||
| 161 | N | 29 | Very low | 29.9 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | trans | 50.2 | 159.9 | 145.5 | -77 | 7.8 | 0 | 0 | 0 | 127 | ||||
| 162 | S | 30.8 | Very low | 30.1 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | 91.5 | 123.7 | 159.8 | 63.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 163 | Y | 29 | Very low | 29.9 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | cis | 78 | 137.5 | 44.9 | -66.6 | -58.7 | 0 | 0 | 0 | 113 | ||||
| 164 | Q | 28.2 | Very low | 30.2 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 62% | 0.621 | 74% | 0.736 | S | S | * | * | cis | -169.7 | 165.9 | -19.7 | -157 | 173.1 | -7.7 | 0 | 0 | 109.4 | ||||
| 165 | Y | 30.5 | Very low | 30.3 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | trans | 70.4 | 109.7 | 153.6 | -84.2 | -55 | 0 | 0 | 0 | 123.6 | ||||
| 166 | D | 29.5 | Very low | 30.2 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | 90.1 | 144.4 | 115.5 | -119.8 | -48.1 | 0 | 0 | 0 | 126 | |||||
| 167 | S | 31.5 | Very low | 30.3 | Very low | 81 Ų | 81 | 135 Ų | 135 | 57% | 0.566 | 73% | 0.73 | S | S | * | * | trans | 69.2 | 92.5 | 142.4 | -81.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 168 | N | 28.8 | Very low | 30.4 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | 79.7 | 148.9 | 117.6 | -68.3 | -50.5 | 0 | 0 | 0 | 123.1 | |||||
| 169 | V | 29.5 | Very low | 30.4 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | trans | 88.4 | 111.4 | 157.2 | -160.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 170 | R | 29.4 | Very low | 30.3 | Very low | 224 Ų | 224 | 139.1 Ų | 139.1 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | 65.4 | 104.5 | 150.8 | -74.1 | 175.5 | 176.9 | 163 | 0.3 | 122.1 | ||||
| 171 | S | 26.1 | Very low | 30.5 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | 30.1 | 126.8 | 115.7 | 63.8 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 172 | I | 30.7 | Very low | 30.5 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | -174.4 | 145.4 | 120.9 | -95.7 | 155.5 | 0 | 0 | 0 | 110.2 | |||||
| 173 | L | 28.1 | Very low | 30.6 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | -94.6 | -177.7 | 174 | -77.3 | 164 | 0 | 0 | 0 | 110.1 | ||||
| 174 | P | 36.5 | Very low | 30.6 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | cis | -137.9 | -166.5 | 2.4 | 37.6 | -15.3 | 0 | 0 | 0 | 115 | ||||
| 175 | N | 32.8 | Very low | 30.8 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | trans | 64.8 | 120.8 | 148.2 | -79.8 | 34.1 | 0 | 0 | 0 | 120.9 | ||||
| 176 | E | 30.1 | Very low | 30.8 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | 81.3 | 114.3 | 72 | -76.6 | -168.3 | 134.7 | 0 | 0 | 114.6 | |||||
| 177 | S | 33.8 | Very low | 30.7 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -180 | 124.8 | 134.3 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 178 | D | 31.9 | Very low | 30.4 | Very low | 165 Ų | 165 | 140 Ų | 140 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | trans | 46.6 | 136.9 | 142 | -62.4 | -53.8 | 0 | 0 | 0 | 125.8 | ||||
| 179 | A | 29.4 | Very low | 30.4 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | -63.9 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 180 | L | 30.3 | Very low | 30.2 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -173.5 | 152.7 | 132.1 | -102.4 | 173.1 | 0 | 0 | 0 | 113.2 | ||||
| 181 | H | 34.4 | Very low | 30 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | trans | 64.7 | 149.1 | 152.9 | -70.3 | -39 | 0 | 0 | 0 | 120.9 | ||||
| 182 | Q | 30.1 | Very low | 30 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 66% | 0.659 | 76% | 0.76 | S | S | * | * | cis | -169.4 | 171.3 | -25.7 | -143.6 | 175.3 | 19.9 | 0 | 0 | 111 | ||||
| 183 | N | 32.1 | Very low | 29.7 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | 77.3 | 117.2 | 156.3 | -55.8 | -33.7 | 0 | 0 | 0 | 120.8 | ||||
| 184 | Q | 28.7 | Very low | 29.5 | Very low | 179 Ų | 179 | 129.8 Ų | 129.8 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | -79.4 | 178.1 | 146.8 | -62.8 | -175.1 | -11.5 | 0 | 0 | 110.1 | ||||
| 185 | P | 33.5 | Very low | 28.9 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | -155.3 | 152.4 | 97.9 | 38.1 | -19.9 | 0 | 0 | 0 | 118.1 | |||||
| 186 | L | 29.6 | Very low | 28.7 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 62.1 | 168.3 | 142.5 | -63 | 167.4 | 0 | 0 | 0 | 120.2 | ||||
| 187 | Q | 26.9 | Very low | 28.5 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | cis | -170.3 | 144.8 | -47.2 | -153.4 | 178.7 | 42.8 | 0 | 0 | 111.3 | ||||
| 188 | S | 25.7 | Very low | 28.2 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | 66 | 163.9 | 152.4 | 75.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 189 | G | 28.9 | Very low | 28.2 | Very low | 71 Ų | 71 | 128.2 Ų | 128.2 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | trans | 91.1 | 101.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 190 | A | 25.9 | Very low | 28.4 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | cis | 97.5 | 121.5 | 27.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 191 | N | 24.7 | Very low | 28.3 | Very low | 173 Ų | 173 | 126 Ų | 126 | 93% | 0.925 | 73% | 0.733 | S | S | * | * | trans | 72.3 | 141.8 | 159.3 | -58.4 | -25.9 | 0 | 0 | 0 | 120.9 | ||||
| 192 | G | 25.7 | Very low | 28 | Very low | 69 Ų | 69 | 128.1 Ų | 128.1 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 101.8 | 138.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 193 | L | 24.2 | Very low | 27.8 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | cis | 167 | 156.9 | -21.5 | -111.6 | 171 | 0 | 0 | 0 | 105.5 | ||||
| 194 | I | 23.9 | Very low | 27.5 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | 66.3 | 91.2 | 159.8 | -60.2 | 156.4 | 0 | 0 | 0 | 115.5 | ||||
| 195 | S | 25 | Very low | 27.3 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | 88.4 | 157.5 | 79.9 | -161 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 196 | N | 27.8 | Very low | 26.9 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 89.9 | 139.1 | 160 | -59.1 | -11.1 | 0 | 0 | 0 | 119.9 | ||||
| 197 | C | 26.2 | Very low | 27 | Very low | 91 Ų | 91 | 138 Ų | 138 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | cis | -172.9 | 141.6 | -32.5 | -115.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 198 | F | 26.9 | Very low | 27.1 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | 69.5 | 141.3 | 152.7 | -76.5 | -131.4 | 0 | 0 | 0 | 117.4 | ||||
| 199 | N | 31.7 | Very low | 27.2 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | cis | 73.3 | 148.9 | 46.8 | -143 | 36.8 | 0 | 0 | 0 | 110.8 | ||||
| 200 | P | 34.7 | Very low | 27.1 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | cis | -141.9 | -175.2 | 26.8 | 43.7 | -22.8 | 0 | 0 | 0 | 118.8 | ||||
| 201 | A | 26.8 | Very low | 27.1 | Very low | 72 Ų | 72 | 136.6 Ų | 136.6 | 60% | 0.595 | 76% | 0.757 | S | S | * | * | trans | -83.2 | 169.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 202 | Q | 29.9 | Very low | 27.2 | Very low | 187 Ų | 187 | 133.9 Ų | 133.9 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -170.1 | 133.7 | 141.5 | -97.3 | 152.7 | 30.1 | 0 | 0 | 107.7 | ||||
| 203 | Y | 24.6 | Very low | 27.3 | Very low | 209 Ų | 209 | 138.3 Ų | 138.3 | 82% | 0.82 | 75% | 0.749 | S | S | * | * | 77.7 | 132.2 | 51.5 | -86.6 | -82.2 | 0 | 0 | 0 | 115.9 | |||||
| 204 | Y | 26.9 | Very low | 27.4 | Very low | 206 Ų | 206 | 135.3 Ų | 135.3 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | trans | 92.3 | 104.3 | 168.5 | -71.3 | -83.1 | 0 | 0 | 0 | 123 | ||||
| 205 | M | 23.3 | Very low | 27.5 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | 42.9 | 113.6 | 120.7 | -69.5 | -76 | 116.3 | 0 | 0 | 123.6 | |||||
| 206 | R | 25.6 | Very low | 27.6 | Very low | 232 Ų | 232 | 138.8 Ų | 138.8 | 88% | 0.875 | 75% | 0.747 | S | S | * | * | trans | 58.6 | 170.9 | 131.6 | -103.5 | -171.7 | 167.8 | -176.2 | -1.4 | 120 | ||||
| 207 | P | 31.8 | Very low | 27.6 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | cis | -121.9 | -114.3 | -16.1 | 30.2 | -4.8 | 0 | 0 | 0 | 113 | ||||
| 208 | P | 29.8 | Very low | 27.7 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | trans | -132.5 | -175.5 | -142.9 | 40.8 | -17.8 | 0 | 0 | 0 | 117.8 | ||||
| 209 | S | 26.3 | Very low | 27.9 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | 86.5 | 162.9 | 150.1 | -152.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 210 | A | 26.8 | Very low | 27.6 | Very low | 87 Ų | 87 | 137.9 Ų | 137.9 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | trans | 69.7 | 94.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 211 | A | 26.8 | Very low | 27.2 | Very low | 85 Ų | 85 | 134.2 Ų | 134.2 | 70% | 0.702 | 71% | 0.707 | S | S | * | * | 88.3 | 134.4 | 114.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 212 | T | 26.9 | Very low | 27.2 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | trans | 61.5 | 135.2 | 145.2 | 51.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 213 | Q | 27.1 | Very low | 27.1 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | cis | -152.7 | 131.6 | 2 | -101.6 | 148.6 | 12.2 | 0 | 0 | 106.1 | ||||
| 214 | S | 26.4 | Very low | 27.3 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | 50.6 | 132.7 | 85.7 | 80.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 215 | L | 26.7 | Very low | 27.3 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 72% | 0.723 | 70% | 0.702 | S | S | * | * | cis | -147.4 | 129.3 | 32.7 | -73 | 165.6 | 0 | 0 | 0 | 109.4 | ||||
| 216 | Q | 26.3 | Very low | 27.6 | Very low | 175 Ų | 175 | 131.7 Ų | 131.7 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | 94.3 | 127.2 | 83.8 | -77.8 | -175 | -17.2 | 0 | 0 | 116.5 | |||||
| 217 | Q | 28.2 | Very low | 27.5 | Very low | 171 Ų | 171 | 125.5 Ų | 125.5 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | trans | -70.7 | -174.3 | 176.4 | -51.5 | 150.4 | -33.5 | 0 | 0 | 113 | ||||
| 218 | L | 27.3 | Very low | 27.3 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 69% | 0.686 | 70% | 0.697 | S | S | * | * | 156.3 | 165.2 | 116.1 | -84.4 | -173.5 | 0 | 0 | 0 | 112.8 | |||||
| 219 | P | 31.5 | Very low | 27.1 | Very low | 56 Ų | 56 | 128.8 Ų | 128.8 | 36% | 0.364 | 71% | 0.705 | S | S | . | * | cis | -151 | 173.1 | -22.5 | 38.6 | -19.2 | 0 | 0 | 0 | 120.7 | V866 S867 | P219-V866 CarbonylContact O-C 3.59Å; P219-S867 CarbonylContact C-O 3.58Å; P219-S867 CarbonylContact O-C 3.53Å; P219-S867 PolarHBondContact O-N 3.07Å | ||
| 220 | Y | 26.3 | Very low | 27.2 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 64% | 0.643 | 70% | 0.697 | S | S | * | * | trans | 79.5 | 77 | 138.3 | -68.1 | -41.8 | 0 | 0 | 0 | 124.8 | V866 S867 V868 | Y220-V866 CarbonylContact O-C 3.51Å; Y220-V866 WeakPolarHBondContact O-CA 3.32Å; Y220-S867 VanDerWaalsContact C-CA 3.5Å; Y220-S867 CarbonylContact O-C 3.6Å; Y220-S867 WeakPolarHBondContact O-CA 3.46Å; Y220-S867 PolarHBondContact O-N 2.89Å; Y220-S867 VanDerWaalsContact O-N 3.16Å; Y220-V868 VanDerWaalsContact C-N 3.35Å | ||
| 221 | S | 26.6 | Very low | 27.2 | Very low | 37 Ų | 37 | 133.6 Ų | 133.6 | 26% | 0.259 | 70% | 0.703 | S | S | . | * | B | Isolated β-bridge | trans | -167.2 | 146.7 | 140.4 | -69.5 | 0 | 0 | 0 | 0 | 110.6 | V868 M869 | S221-V868 VanDerWaalsContact CB-N 3.26Å; S221-V868 CarbonylContact O-C 3.11Å; S221-M869 PolarHBondContact O-N 3.24Å |
| 222 | I | 25.4 | Very low | 27.2 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | cis | 81.7 | 99.3 | 34.5 | -54.2 | 167.8 | 0 | 0 | 0 | 113.6 | ||||
| 223 | I | 27.7 | Very low | 27.3 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | trans | -121 | 112.4 | 171.3 | -61.9 | 173.4 | 0 | 0 | 0 | 108.7 | M869 | I223-M869 HydrophobicContact CD1-CE 4.14Š| ||
| 224 | P | 28.8 | Very low | 27.2 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 69% | 0.688 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 130.3 | 153.2 | 32.4 | -28.3 | 0 | 0 | 0 | 108.5 | ||
| 225 | N | 28.1 | Very low | 27.2 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 87% | 0.866 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 139.3 | -174.4 | -155.7 | 4.1 | 0 | 0 | 0 | 111.4 | ||
| 226 | R | 28.5 | Very low | 27.2 | Very low | 231 Ų | 231 | 129 Ų | 129 | 87% | 0.872 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 134.2 | -167.3 | -74.6 | -175.7 | 176.6 | 176 | 1.3 | 112.4 | ||
| 227 | S | 24.3 | Very low | 27.3 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 162.5 | 152.8 | 33.3 | 0 | 0 | 0 | 0 | 110 | ||
| 228 | S | 27.1 | Very low | 27.3 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 67% | 0.671 | 65% | 0.647 | S | S | * | * | trans | 66.8 | 83.7 | -179.3 | 173 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 229 | E | 26.2 | Very low | 27.4 | Very low | 198 Ų | 198 | 125.6 Ų | 125.6 | 93% | 0.925 | 66% | 0.657 | S | S | * | * | trans | -76.2 | 134.4 | 142.7 | -73.3 | -150.3 | 120.7 | 0 | 0 | 109.6 | ||||
| 230 | Y | 28.4 | Very low | 27.2 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 66% | 0.663 | 67% | 0.67 | S | S | * | * | trans | -117.2 | 104.3 | -174.7 | -145.3 | -91.9 | 0 | 0 | 0 | 105.4 | H232 | Y230-H232 VanDerWaalsContact C-N 3.32Å; Y230-H232 HydrophobicContact CD1-CB 4.4Å; Y230-H232 PolarHBondContact O-N 3.36Å | ||
| 231 | V | 26 | Very low | 27.4 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 84% | 0.836 | 68% | 0.677 | S | S | * | * | trans | -70.3 | 97 | 172.3 | 177.3 | 0 | 0 | 0 | 0 | 107.4 | V233 | V231-V233 HydrophobicContact CG1-CG2 4.45Å; V231-V233 PolarHBondContact O-N 3.2Å | ||
| 232 | H | 28.5 | Very low | 27.5 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 49% | 0.486 | 70% | 0.698 | S | S | . | * | trans | -95.8 | 78.2 | -168.9 | -167.9 | -11.4 | 0 | 0 | 0 | 110.1 | Y230 K234 K1324 | Y230-H232 VanDerWaalsContact C-N 3.32Å; Y230-H232 HydrophobicContact CD1-CB 4.4Å; Y230-H232 PolarHBondContact O-N 3.36Å; H232-K234 WeakPolarHBondContact CE1-CB 3.22Å; H232-K234 WeakPolarHBondContact CE1-CD 3.03Å; H232-K234 WeakPolarHBondContact CE1-CG 3.42Å; H232-K234 PolarHBondContact O-N 3.36Å; H232-K1324 VanDerWaalsContact CE1-CE 3.48Å; H232-K1324 WeakPolarHBondContact CE1-CE 3.4Å; H232-K1324 PolarHBondContact CE1-NZ 3.4Å; H232-K1324 VanDerWaalsContact NE2-CD 3.3Å; H232-K1324 WeakPolarHBondContact NE2-CD 3.38Å; H232-K1324 WeakPolarHBondContact NE2-CE 3.41Å; H232-K1324 PolarHBondContact NE2-NZ 3.42Å; H232-K1324 VanDerWaalsContact NE2-NZ 3.11Å | ||
| 233 | V | 27.1 | Very low | 27.6 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 82% | 0.824 | 70% | 0.7 | S | S | * | * | trans | -64.8 | 118.4 | 168.5 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | V231 | V231-V233 HydrophobicContact CG1-CG2 4.45Å; V231-V233 PolarHBondContact O-N 3.2Å | ||
| 234 | K | 26.2 | Very low | 27.7 | Very low | 69 Ų | 69 | 129 Ų | 129 | 30% | 0.3 | 70% | 0.703 | S | S | . | * | trans | -149.4 | 136.2 | 179.6 | -158.6 | -158.7 | -177.5 | -164.2 | 0 | 110.3 | H232 | H232-K234 WeakPolarHBondContact CE1-CB 3.22Å; H232-K234 WeakPolarHBondContact CE1-CD 3.03Å; H232-K234 WeakPolarHBondContact CE1-CG 3.42Å; H232-K234 PolarHBondContact O-N 3.36Å | ||
| 235 | S | 25.2 | Very low | 27.8 | Very low | 61 Ų | 61 | 129.6 Ų | 129.6 | 43% | 0.427 | 71% | 0.707 | S | S | . | * | trans | 78.7 | 155.4 | 152.8 | -157.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 236 | F | 27.3 | Very low | 27.7 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 55% | 0.553 | 70% | 0.696 | S | S | * | * | trans | 72.6 | 125.7 | 172.5 | -46.4 | -67.1 | 0 | 0 | 0 | 114.7 | ||||
| 237 | T | 29.5 | Very low | 27.6 | Very low | 109 Ų | 109 | 122.4 Ų | 122.4 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | cis | -151.3 | 137.9 | -3.2 | 5.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 238 | S | 26.4 | Very low | 27.8 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | 62 | 145.4 | 90.6 | -60 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 239 | E | 29.4 | Very low | 27.8 | Very low | 194 Ų | 194 | 122.6 Ų | 122.6 | 91% | 0.907 | 69% | 0.689 | S | S | * | * | trans | 75 | 141.2 | 176 | -63.3 | 179.7 | -164.8 | 0 | 0 | 116 | ||||
| 240 | A | 28.8 | Very low | 27.8 | Very low | 76 Ų | 76 | 121 Ų | 121 | 63% | 0.628 | 68% | 0.682 | S | S | * | * | cis | -164.7 | 150.6 | -14.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 241 | I | 29.4 | Very low | 27.9 | Very low | 157 Ų | 157 | 116.3 Ų | 116.3 | 81% | 0.805 | 68% | 0.678 | S | S | * | * | trans | 68.2 | 146.6 | 145.1 | -68.5 | 163.9 | 0 | 0 | 0 | 119.5 | ||||
| 242 | S | 29 | Very low | 28.1 | Very low | 100 Ų | 100 | 117.3 Ų | 117.3 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | trans | 62.6 | 122.7 | 176 | 46.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 243 | C | 27.8 | Very low | 28.1 | Very low | 122 Ų | 122 | 119.4 Ų | 119.4 | 82% | 0.824 | 69% | 0.688 | S | S | * | * | cis | 71.6 | 107.2 | 45.1 | -54.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 244 | E | 29.1 | Very low | 28.3 | Very low | 150 Ų | 150 | 120.7 Ų | 120.7 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | -16.4 | 138.5 | 136.9 | -83.1 | -74 | 148.4 | 0 | 0 | 113.5 | C246 | E244-C246 PolarHBondContact OE2-N 2.87Å; E244-C246 PolarHBondContact OE2-SG 2.9Å | ||
| 245 | P | 32.2 | Very low | 28.3 | Very low | 118 Ų | 118 | 123 Ų | 123 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | -137.6 | 147.2 | 70.2 | 38.7 | -25.4 | 0 | 0 | 0 | 117 | N247 | P245-N247 PolarHBondContact O-N 3.01Š| |||
| 246 | C | 25.1 | Very low | 28.7 | Very low | 94 Ų | 94 | 125.9 Ų | 125.9 | 64% | 0.635 | 73% | 0.726 | S | S | * | * | trans | -39.8 | 122.5 | 145.2 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | E244 | E244-C246 PolarHBondContact OE2-N 2.87Å; E244-C246 PolarHBondContact OE2-SG 2.9Å | ||
| 247 | N | 27.4 | Very low | 28.7 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | -172.5 | 126.8 | 126.5 | -107.8 | -50.3 | 0 | 0 | 0 | 116.6 | P245 | P245-N247 PolarHBondContact O-N 3.01Š| |||
| 248 | S | 27.1 | Very low | 28.6 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | trans | 73.3 | 163.7 | 134.3 | 85.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 249 | V | 27.6 | Very low | 28.8 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 65% | 0.648 | 75% | 0.745 | S | S | * | * | trans | 63.7 | 104.1 | 152.7 | 172.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 250 | Q | 27 | Very low | 28.8 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | 61.8 | 136 | 103.8 | -59.5 | 167.4 | 24 | 0 | 0 | 114.3 | |||||
| 251 | A | 29 | Very low | 29 | Very low | 70 Ų | 70 | 134 Ų | 134 | 58% | 0.579 | 74% | 0.74 | S | S | * | * | cis | -161.1 | -170.9 | 1.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 252 | E | 30.4 | Very low | 29.2 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | 40.6 | 111.5 | 145.2 | -75.7 | 148.4 | -118.7 | 0 | 0 | 119.2 | ||||
| 253 | N | 28.4 | Very low | 29.3 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | 76.1 | 164.9 | 85.6 | -73.4 | -36.3 | 0 | 0 | 0 | 114.6 | |||||
| 254 | L | 31.2 | Very low | 29.6 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | trans | 77.9 | 82.6 | 168.1 | -50.5 | -175.9 | 0 | 0 | 0 | 117.8 | ||||
| 255 | V | 27.6 | Very low | 29.9 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | trans | -34.2 | 140.6 | 137.4 | 176.2 | 0 | 0 | 0 | 0 | 112.8 | Y257 | V255-Y257 HydrophobicContact CG1-CD2 3.89Š| ||
| 256 | P | 33.8 | Very low | 29.8 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | trans | -114.4 | 147.8 | 138.1 | -6.5 | 26.8 | 0 | 0 | 0 | 113.2 | ||||
| 257 | Y | 25.9 | Very low | 30.3 | Very low | 200 Ų | 200 | 131.3 Ų | 131.3 | 78% | 0.784 | 73% | 0.73 | S | S | * | * | trans | -98.4 | -158.9 | 179.6 | -120.7 | -100.9 | 0 | 0 | 0 | 111.2 | V255 | V255-Y257 HydrophobicContact CG1-CD2 3.89Š| ||
| 258 | F | 27.2 | Very low | 30.3 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 76% | 0.763 | 73% | 0.725 | S | S | * | * | trans | 80.9 | 137 | 170.8 | -42.5 | -69.5 | 0 | 0 | 0 | 113.5 | ||||
| 259 | I | 31.1 | Very low | 30.3 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | cis | -135.7 | 123.3 | 34.9 | -78.8 | 172.3 | 0 | 0 | 0 | 108.3 | ||||
| 260 | N | 30.6 | Very low | 30.4 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | 56.3 | 140.6 | 104.1 | -73.8 | -13.8 | 0 | 0 | 0 | 114.5 | |||||
| 261 | V | 32.5 | Very low | 30.7 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | cis | -176 | 170.4 | 22.1 | 101.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 262 | P | 32.7 | Very low | 30.8 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 66% | 0.662 | 73% | 0.733 | S | S | * | * | cis | -130.9 | -170.4 | -22.2 | 40.5 | -23.4 | 0 | 0 | 0 | 113.2 | ||||
| 263 | A | 32 | Very low | 30.8 | Very low | 82 Ų | 82 | 129 Ų | 129 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | trans | 55.3 | 137.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 264 | N | 33 | Very low | 30.9 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | cis | -157.2 | 147.1 | 9.5 | -120.7 | 0.2 | 0 | 0 | 0 | 112.3 | ||||
| 265 | T | 36.6 | Very low | 30.9 | Very low | 105 Ų | 105 | 122.1 Ų | 122.1 | 64% | 0.644 | 70% | 0.697 | S | S | * | * | trans | 48.3 | 116.2 | 152.6 | 55.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 266 | D | 29.4 | Very low | 30.9 | Very low | 146 Ų | 146 | 120 Ų | 120 | 78% | 0.781 | 69% | 0.688 | S | S | * | * | 73.5 | 147.1 | 62.1 | -72.7 | -43.3 | 0 | 0 | 0 | 114.7 | |||||
| 267 | P | 35.4 | Very low | 30.7 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 70% | 0.695 | 69% | 0.689 | S | S | * | * | cis | -142.4 | -151.9 | -37.4 | 39.4 | -20.1 | 0 | 0 | 0 | 111.3 | ||||
| 268 | S | 26.9 | Very low | 30.7 | Very low | 99 Ų | 99 | 117.6 Ų | 117.6 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | trans | -57.4 | 168.2 | 159.8 | 49.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 269 | V | 29.1 | Very low | 30.6 | Very low | 119 Ų | 119 | 116.9 Ų | 116.9 | 72% | 0.721 | 68% | 0.681 | S | S | * | * | trans | 147 | 111.1 | 130.7 | 168.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 270 | S | 29.4 | Very low | 30.4 | Very low | 97 Ų | 97 | 117.8 Ų | 117.8 | 68% | 0.678 | 68% | 0.679 | S | S | * | * | trans | 69.8 | 170.6 | 154.4 | 87.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 271 | N | 33.1 | Very low | 30.3 | Very low | 138 Ų | 138 | 118 Ų | 118 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | cis | -147.1 | 171.2 | 6.6 | -135.5 | -30.6 | 0 | 0 | 0 | 114.3 | ||||
| 272 | L | 30.7 | Very low | 30.1 | Very low | 129 Ų | 129 | 115 Ų | 115 | 68% | 0.675 | 68% | 0.679 | S | S | * | * | trans | -48 | 165 | 169.5 | -87.1 | 163.1 | 0 | 0 | 0 | 114.9 | ||||
| 273 | P | 31 | Very low | 30 | Very low | 114 Ų | 114 | 115.6 Ų | 115.6 | 74% | 0.74 | 69% | 0.686 | S | S | * | * | cis | -142.4 | 163.9 | 41.7 | 44.6 | -26.6 | 0 | 0 | 0 | 120.5 | ||||
| 274 | A | 29.8 | Very low | 29.9 | Very low | 35 Ų | 35 | 119.4 Ų | 119.4 | 29% | 0.289 | 69% | 0.689 | S | S | . | * | trans | -72.4 | 163.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T311 | A274-T311 VanDerWaalsContact CA-OG1 3.22Å; A274-T311 WeakPolarHBondContact CA-OG1 3.33Å; A274-T311 HydrophobicContact CB-CG2 4.47Å; A274-T311 WeakPolarHBondContact CB-OG1 3.28Å | ||
| 275 | E | 31.2 | Very low | 29.8 | Very low | 132 Ų | 132 | 119 Ų | 119 | 62% | 0.617 | 69% | 0.686 | S | S | * | * | trans | -141 | -179.3 | 145.3 | -111.4 | -170.9 | 177.4 | 0 | 0 | 107.9 | R310 | E275-R310 VanDerWaalsContact CB-CZ 3.41Å; E275-R310 WeakPolarHBondContact O-CD 3.47Å; E275-R310 VanDerWaalsContact O-CG 3.28Å; E275-R310 WeakPolarHBondContact O-CG 2.9Å; E275-R310 PolarHBondContact O-NE 2.91Å; E275-R310 IonicContact OE2-NH2 2.67Å; E275-R310 PolarHBondContact OE2-NH2 3.48Å; E275-R310 VanDerWaalsContact OE2-NH2 3.09Å | ||
| 276 | S | 27.9 | Very low | 29.6 | Very low | 74 Ų | 74 | 120 Ų | 120 | 52% | 0.517 | 68% | 0.684 | S | S | . | * | trans | -150 | -170.7 | 173.1 | -74.1 | 0 | 0 | 0 | 0 | 108 | R310 | S276-R310 PolarHBondContact O-NH1 2.81Š| ||
| 277 | F | 29.2 | Very low | 29.6 | Very low | 186 Ų | 186 | 121.5 Ų | 121.5 | 82% | 0.816 | 68% | 0.678 | S | S | * | * | trans | 63.3 | 171 | 174.7 | -59.7 | -87.1 | 0 | 0 | 0 | 114.5 | ||||
| 278 | S | 26 | Very low | 29.5 | Very low | 84 Ų | 84 | 120.9 Ų | 120.9 | 59% | 0.587 | 67% | 0.669 | S | S | * | * | 170.9 | 157.7 | -56.3 | 64.1 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 279 | M | 25.8 | Very low | 29.8 | Very low | 159 Ų | 159 | 122.9 Ų | 122.9 | 78% | 0.783 | 67% | 0.668 | S | S | * | * | trans | 69.3 | 121.9 | 151.7 | -72.9 | -166.8 | 175.3 | 0 | 0 | 120 | ||||
| 280 | F | 26.3 | Very low | 30 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | trans | 72.2 | 119.9 | 139.1 | -81.8 | -107.9 | 0 | 0 | 0 | 120.7 | ||||
| 281 | T | 27.9 | Very low | 30.4 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | trans | 57.7 | 123.8 | 143.5 | 55.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 282 | G | 29.5 | Very low | 30.4 | Very low | 59 Ų | 59 | 124.1 Ų | 124.1 | 61% | 0.608 | 68% | 0.675 | S | S | * | * | cis | 145.2 | -173.7 | 3.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 283 | S | 30 | Very low | 30.5 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 81% | 0.811 | 68% | 0.675 | S | S | * | * | trans | 62.1 | 143.7 | 176.3 | 31 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 284 | H | 30.6 | Very low | 30.7 | Very low | 161 Ų | 161 | 125.3 Ų | 125.3 | 75% | 0.745 | 68% | 0.678 | S | S | * | * | cis | -162.9 | 159.9 | -8.8 | -132.9 | -59.6 | 0 | 0 | 0 | 108.6 | ||||
| 285 | L | 29.2 | Very low | 31 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | trans | 70 | 140.1 | 156.5 | -60.7 | 168.9 | 0 | 0 | 0 | 116.1 | ||||
| 286 | H | 32.7 | Very low | 31.3 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 59% | 0.593 | 68% | 0.68 | S | S | * | * | cis | -165.3 | 149.6 | -14.4 | -137.6 | 7.4 | 0 | 0 | 0 | 109.7 | ||||
| 287 | R | 30 | Very low | 31.8 | Very low | 177 Ų | 177 | 125.4 Ų | 125.4 | 67% | 0.668 | 68% | 0.678 | S | S | * | * | trans | 63.8 | 146.5 | 144.4 | -71.5 | -176.7 | 128.2 | 108.6 | -1 | 118.9 | ||||
| 288 | D | 32.5 | Very low | 32.1 | Very low | 94 Ų | 94 | 121.3 Ų | 121.3 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | cis | -157.8 | 151.1 | -4.9 | -122 | -23.4 | 0 | 0 | 0 | 111.3 | ||||
| 289 | Q | 33.3 | Very low | 32.6 | Very low | 141 Ų | 141 | 122.6 Ų | 122.6 | 66% | 0.659 | 67% | 0.673 | S | S | * | * | trans | 53.8 | 145.5 | 138.7 | -73 | 166 | 54.1 | 0 | 0 | 122.1 | ||||
| 290 | H | 33.6 | Very low | 33.1 | Very low | 176 Ų | 176 | 121.7 Ų | 121.7 | 82% | 0.815 | 67% | 0.666 | S | S | * | * | cis | -163.2 | 176.4 | -25 | -126.7 | -138.8 | 0 | 0 | 0 | 107.7 | ||||
| 291 | P | 38.3 | Very low | 33.4 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 72% | 0.721 | 67% | 0.672 | S | S | * | * | trans | -116.4 | -134.4 | -149 | 45.5 | -37.7 | 0 | 0 | 0 | 112.9 | ||||
| 292 | A | 32.2 | Very low | 33.6 | Very low | 93 Ų | 93 | 119.5 Ų | 119.5 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | trans | 83.7 | 136 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 293 | S | 34.4 | Very low | 33.9 | Very low | 94 Ų | 94 | 121.8 Ų | 121.8 | 66% | 0.657 | 66% | 0.664 | S | S | * | * | cis | -164 | 141 | -4.6 | 42 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 294 | Q | 34.1 | Very low | 34 | Very low | 173 Ų | 173 | 123.5 Ų | 123.5 | 81% | 0.808 | 66% | 0.662 | S | S | * | * | trans | 60.8 | 123.5 | 144.1 | -74.3 | 159.5 | -31.5 | 0 | 0 | 118.2 | ||||
| 295 | S | 36.9 | Very low | 34.1 | Very low | 75 Ų | 75 | 123.2 Ų | 123.2 | 52% | 0.524 | 67% | 0.665 | S | S | . | * | 72.2 | 138.7 | 71.8 | 102.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 296 | D | 37.5 | Very low | 34.3 | Very low | 80 Ų | 80 | 121.8 Ų | 121.8 | 43% | 0.428 | 66% | 0.663 | S | S | . | * | cis | -144.7 | 170 | 12.8 | -80.4 | -58 | 0 | 0 | 0 | 110.8 | A680 | D296-A680 PolarHBondContact OD2-N 3.38Š| ||
| 297 | N | 36.7 | Very low | 34.1 | Very low | 88 Ų | 88 | 123.6 Ų | 123.6 | 47% | 0.471 | 67% | 0.672 | S | S | . | * | cis | -158.1 | 167.5 | 11.8 | -137.5 | -18.8 | 0 | 0 | 0 | 115.3 | R679 | N297-R679 PolarHBondContact ND2-O 2.78Š| ||
| 298 | T | 36.1 | Very low | 34.1 | Very low | 101 Ų | 101 | 120.3 Ų | 120.3 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | trans | 10.6 | 121.2 | 150.9 | 52.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 299 | T | 37.6 | Very low | 34 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | cis | 69.3 | 150.6 | 8.9 | -34.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 300 | H | 36.1 | Very low | 33.9 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 65% | 0.653 | 68% | 0.676 | S | S | * | * | trans | 87.9 | 151.4 | 170.8 | -49.7 | -64.4 | 0 | 0 | 0 | 115.9 | ||||
| 301 | L | 31.5 | Very low | 33.7 | Very low | 166 Ų | 166 | 117.5 Ų | 117.5 | 87% | 0.869 | 66% | 0.66 | S | S | * | * | cis | -142.3 | 156.8 | 28.9 | -73.2 | 157.5 | 0 | 0 | 0 | 112.3 | ||||
| 302 | V | 33.2 | Very low | 33.3 | Very low | 94 Ų | 94 | 116.9 Ų | 116.9 | 57% | 0.57 | 66% | 0.659 | S | S | * | * | cis | -157.4 | 144.7 | -26.2 | 91.4 | 0 | 0 | 0 | 0 | 109.7 | I304 | V302-I304 HydrophobicContact CG1-CG1 4.42Š| ||
| 303 | P | 34.9 | Very low | 33.1 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | trans | -99.3 | 149.8 | 165.2 | 36.2 | -31.3 | 0 | 0 | 0 | 111.7 | ||||
| 304 | I | 31.8 | Very low | 33 | Very low | 152 Ų | 152 | 120.1 Ų | 120.1 | 78% | 0.779 | 66% | 0.663 | S | S | * | * | trans | -135.3 | 118.2 | 165.8 | -60.2 | -176.3 | 0 | 0 | 0 | 111.1 | V302 | V302-I304 HydrophobicContact CG1-CG1 4.42Š| ||
| 305 | I | 32.8 | Very low | 32.8 | Very low | 154 Ų | 154 | 119.8 Ų | 119.8 | 79% | 0.79 | 66% | 0.662 | S | S | * | * | trans | -99.8 | 139.6 | 162.6 | -52.6 | 157.2 | 0 | 0 | 0 | 103.1 | ||||
| 306 | P | 33.4 | Very low | 32.5 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 66% | 0.662 | 68% | 0.676 | S | S | * | * | -162.3 | 167.1 | 66.8 | 45.4 | -23.1 | 0 | 0 | 0 | 121.1 | |||||
| 307 | Q | 30.1 | Very low | 32.1 | Very low | 166 Ų | 166 | 123.8 Ų | 123.8 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | trans | 45.9 | 136.1 | 133.3 | -64.9 | -178.4 | -8.3 | 0 | 0 | 125.2 | ||||
| 308 | T | 29.8 | Very low | 31.6 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | trans | 75.7 | 113.7 | 135.4 | 51.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 309 | N | 29.6 | Very low | 31.3 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | 46.2 | 114 | 121.8 | -58.1 | -5.7 | 0 | 0 | 0 | 121.2 | |||||
| 310 | R | 30.6 | Very low | 30.8 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 50% | 0.502 | 72% | 0.719 | S | S | . | * | 162.8 | 91.6 | 120.1 | -86.7 | 150.8 | 170.9 | -152.2 | -4.2 | 109.7 | E275 S276 | E275-R310 VanDerWaalsContact CB-CZ 3.41Å; E275-R310 WeakPolarHBondContact O-CD 3.47Å; E275-R310 VanDerWaalsContact O-CG 3.28Å; E275-R310 WeakPolarHBondContact O-CG 2.9Å; E275-R310 PolarHBondContact O-NE 2.91Å; E275-R310 IonicContact OE2-NH2 2.67Å; E275-R310 PolarHBondContact OE2-NH2 3.48Å; E275-R310 VanDerWaalsContact OE2-NH2 3.09Å; S276-R310 PolarHBondContact O-NH1 2.81Å | |||
| 311 | T | 30.2 | Very low | 30.4 | Very low | 79 Ų | 79 | 132.5 Ų | 132.5 | 49% | 0.485 | 71% | 0.714 | S | S | . | * | 62.3 | 116 | 95.6 | 55.9 | 0 | 0 | 0 | 0 | 116.8 | A274 | A274-T311 VanDerWaalsContact CA-OG1 3.22Å; A274-T311 WeakPolarHBondContact CA-OG1 3.33Å; A274-T311 HydrophobicContact CB-CG2 4.47Å; A274-T311 WeakPolarHBondContact CB-OG1 3.28Å | |||
| 312 | S | 30.5 | Very low | 30.3 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | 175.5 | 126.1 | 120.8 | 54.7 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 313 | S | 28.4 | Very low | 30.1 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | trans | 73.4 | 164.9 | 144.3 | 78.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 314 | L | 31.7 | Very low | 29.9 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 78% | 0.78 | 72% | 0.715 | S | S | * | * | trans | 63.6 | 92.6 | 176.6 | -54.2 | -179.5 | 0 | 0 | 0 | 115.3 | ||||
| 315 | Q | 29.1 | Very low | 30 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 77% | 0.771 | 71% | 0.711 | S | S | * | * | 98.6 | 131.9 | 56.2 | -87 | -161.4 | -13.1 | 0 | 0 | 112.7 | |||||
| 316 | P | 30.6 | Very low | 29.8 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 83% | 0.831 | 71% | 0.708 | S | S | * | * | trans | -89.3 | 131.3 | 172.9 | 34.6 | -31.1 | 0 | 0 | 0 | 111.4 | ||||
| 317 | V | 29.9 | Very low | 29.5 | Very low | 111 Ų | 111 | 133 Ų | 133 | 67% | 0.673 | 71% | 0.711 | S | S | * | * | trans | -135.5 | 124.6 | 171.6 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | Y319 | V317-Y319 HydrophobicContact CG1-CD2 3.9Å; V317-Y319 HydrophobicContact CG1-CE2 4.45Å; V317-Y319 PolarHBondContact O-N 2.92Å | ||
| 318 | K | 25.4 | Very low | 29.7 | Very low | 201 Ų | 201 | 131 Ų | 131 | 87% | 0.874 | 70% | 0.702 | S | S | * | * | trans | -76.3 | 113.1 | 164.2 | -59.7 | 171.9 | -179.7 | 177.9 | 0 | 109 | ||||
| 319 | Y | 30.3 | Very low | 29.8 | Very low | 205 Ų | 205 | 132.9 Ų | 132.9 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -143.6 | 108.3 | 143.6 | -87.8 | -80.4 | 0 | 0 | 0 | 105.9 | V317 | V317-Y319 HydrophobicContact CG1-CD2 3.9Å; V317-Y319 HydrophobicContact CG1-CE2 4.45Å; V317-Y319 PolarHBondContact O-N 2.92Å | ||
| 320 | N | 27.2 | Very low | 29.7 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | 73.2 | 130.3 | 59.1 | -152.7 | 41.2 | 0 | 0 | 0 | 112.2 | |||||
| 321 | S | 27.5 | Very low | 29.5 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 57% | 0.566 | 72% | 0.717 | S | S | * | * | trans | 76.9 | 110 | 157.8 | -58.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 322 | T | 28.3 | Very low | 29.4 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | 77.2 | 148.1 | 124.4 | 59.3 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 323 | N | 29.5 | Very low | 29.6 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | trans | 74 | 144.3 | 159.5 | -60.3 | -15.2 | 0 | 0 | 0 | 116.4 | ||||
| 324 | A | 31.8 | Very low | 29.8 | Very low | 73 Ų | 73 | 142.1 Ų | 142.1 | 60% | 0.603 | 73% | 0.732 | S | S | * | * | cis | -168.1 | 164.8 | -19 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 325 | N | 32.9 | Very low | 30.1 | Very low | 130 Ų | 130 | 139 Ų | 139 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | trans | 66.9 | 117 | 158.5 | -67.6 | 21.6 | 0 | 0 | 0 | 114.5 | ||||
| 326 | E | 28.7 | Very low | 30.3 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | 66.6 | 139.9 | 77.9 | -68.8 | 177.7 | 148.1 | 0 | 0 | 112.8 | |||||
| 327 | E | 27.3 | Very low | 30.4 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | trans | 7.9 | 130.5 | 150.3 | -29.9 | -171.4 | 140.2 | 0 | 0 | 118 | ||||
| 328 | H | 35.1 | Very low | 30.5 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 58% | 0.579 | 73% | 0.731 | S | S | * | * | -165.8 | 146 | 75.2 | -102.4 | -4.1 | 0 | 0 | 0 | 113.3 | |||||
| 329 | K | 30.4 | Very low | 30.7 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | trans | 39.2 | 119 | 131.2 | -57.6 | 162.7 | -173.3 | 157.4 | 0 | 118.4 | ||||
| 330 | N | 27.4 | Very low | 30.6 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | 32 | 120 | 114.8 | -43.7 | -15.3 | 0 | 0 | 0 | 117.1 | |||||
| 331 | Q | 27.9 | Very low | 30.6 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 84% | 0.841 | 72% | 0.718 | S | S | * | * | -173.5 | 156.2 | 97.4 | -99.3 | 166 | 7.2 | 0 | 0 | 112.7 | |||||
| 332 | S | 27 | Very low | 30.7 | Very low | 84 Ų | 84 | 129.5 Ų | 129.5 | 59% | 0.587 | 71% | 0.709 | S | S | * | * | trans | 22 | 132.8 | 154.3 | 58.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 333 | F | 35.5 | Very low | 30.7 | Very low | 199 Ų | 199 | 126.9 Ų | 126.9 | 87% | 0.873 | 71% | 0.705 | S | S | * | * | -155.6 | 133.2 | 68.9 | -98.7 | -82.3 | 0 | 0 | 0 | 112.9 | |||||
| 334 | N | 32.8 | Very low | 30.6 | Very low | 145 Ų | 145 | 125 Ų | 125 | 78% | 0.775 | 70% | 0.699 | S | S | * | * | trans | -125.4 | 144.7 | 167.7 | -171.2 | 8.4 | 0 | 0 | 0 | 106.7 | ||||
| 335 | P | 38.5 | Very low | 30.4 | Very low | 84 Ų | 84 | 127.1 Ų | 127.1 | 55% | 0.545 | 70% | 0.7 | S | S | . | * | trans | -150.6 | 158.1 | 132.6 | 39.7 | -24.6 | 0 | 0 | 0 | 116.6 | ||||
| 336 | Y | 32.9 | Very low | 30.1 | Very low | 209 Ų | 209 | 127.7 Ų | 127.7 | 82% | 0.82 | 70% | 0.699 | S | S | * | * | trans | 70 | 134.7 | 162.8 | -46.2 | -52.9 | 0 | 0 | 0 | 116.3 | ||||
| 337 | L | 32.5 | Very low | 30 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 86% | 0.864 | 70% | 0.698 | S | S | * | * | S | Bend | cis | -152.9 | 141.1 | -0.2 | -155.4 | 78.4 | 0 | 0 | 0 | 106.7 | ||
| 338 | G | 31.5 | Very low | 30 | Very low | 77 Ų | 77 | 125.4 Ų | 125.4 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | cis | 156.6 | 143.8 | -2.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 339 | G | 30.4 | Very low | 29.6 | Very low | 76 Ų | 76 | 124.6 Ų | 124.6 | 78% | 0.784 | 70% | 0.699 | S | S | * | * | cis | -142.6 | -147 | -8.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 340 | A | 28.3 | Very low | 29.5 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 59% | 0.587 | 70% | 0.703 | S | S | * | * | cis | 156.9 | 144.5 | 9.8 | 0 | 0 | 0 | 0 | 0 | 104.5 | Y1533 | A340-Y1533 PolarHBondContact O-OH 3.41Š| ||
| 341 | F | 27.3 | Very low | 29.7 | Very low | 177 Ų | 177 | 122.2 Ų | 122.2 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | cis | 179.8 | 103.7 | -7.8 | -125.7 | -61.7 | 0 | 0 | 0 | 109.2 | Y1533 E1534 | F341-Y1533 VanDerWaalsContact C-CE1 3.47Å; F341-Y1533 PolarHBondContact N-OH 3.09Å; F341-Y1533 WeakPolarHBondContact O-CE1 3.21Å; F341-Y1533 PolarHBondContact O-OH 2.84Å; F341-E1534 PolarHBondContact N-OE1 3.37Å | ||
| 342 | S | 29.2 | Very low | 29.6 | Very low | 53 Ų | 53 | 119.1 Ų | 119.1 | 37% | 0.371 | 69% | 0.69 | S | S | . | * | trans | 154.7 | 111.4 | 146.5 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | Y1533 E1534 | S342-Y1533 WeakPolarHBondContact O-CD1 3.35Å; S342-E1534 PolarHBondContact N-OE2 3.37Å; S342-E1534 VanDerWaalsContact N-OE2 3.17Å | ||
| 343 | G | 27.8 | Very low | 29.8 | Very low | 61 Ų | 61 | 123.3 Ų | 123.3 | 63% | 0.629 | 70% | 0.697 | S | S | * | * | cis | 83 | 167.7 | 35.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 344 | V | 27.1 | Very low | 29.4 | Very low | 116 Ų | 116 | 121 Ų | 121 | 70% | 0.703 | 69% | 0.694 | S | S | * | * | trans | 34.3 | 114.8 | 164.1 | -82.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 345 | N | 27.9 | Very low | 29.4 | Very low | 116 Ų | 116 | 117.6 Ų | 117.6 | 62% | 0.62 | 69% | 0.693 | S | S | * | * | -171.5 | 143.7 | 65 | -111.1 | -18.9 | 0 | 0 | 0 | 111.7 | |||||
| 346 | Q | 27.4 | Very low | 28.8 | Very low | 143 Ų | 143 | 122.3 Ų | 122.3 | 67% | 0.668 | 71% | 0.708 | S | S | * | * | 54.7 | 124 | 100.8 | -77.4 | -175.5 | 64.3 | 0 | 0 | 116.3 | |||||
| 347 | L | 26.6 | Very low | 28.6 | Very low | 136 Ų | 136 | 118.9 Ų | 118.9 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | trans | 69.5 | 150.8 | 149.4 | -54 | 164.5 | 0 | 0 | 0 | 115.1 | ||||
| 348 | N | 27 | Very low | 28.3 | Very low | 128 Ų | 128 | 117.8 Ų | 117.8 | 68% | 0.684 | 70% | 0.697 | S | S | * | * | cis | -152.5 | 174.8 | -5 | -129 | -3 | 0 | 0 | 0 | 112.2 | ||||
| 349 | T | 27.4 | Very low | 28.3 | Very low | 107 Ų | 107 | 119.2 Ų | 119.2 | 66% | 0.656 | 69% | 0.691 | S | S | * | * | trans | -8.1 | 131.7 | 144 | -13 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 350 | C | 26.9 | Very low | 28.2 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 72% | 0.716 | 69% | 0.691 | S | S | * | * | 177 | 147.6 | 88.1 | -92.1 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 351 | L | 31.2 | Very low | 28.7 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 70% | 0.702 | 70% | 0.695 | S | S | * | * | cis | -143.6 | 152.5 | 0.2 | -89.3 | 143 | 0 | 0 | 0 | 106.5 | ||||
| 352 | D | 26.9 | Very low | 28.7 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 62% | 0.615 | 69% | 0.69 | S | S | * | * | 54.4 | 130.2 | 79.3 | -100.9 | -15.8 | 0 | 0 | 0 | 112.4 | |||||
| 353 | F | 31.3 | Very low | 28.5 | Very low | 171 Ų | 171 | 127 Ų | 127 | 75% | 0.75 | 71% | 0.713 | S | S | * | * | cis | -150 | 179.5 | 30 | -109.3 | -71.1 | 0 | 0 | 0 | 114.9 | ||||
| 354 | N | 27.6 | Very low | 28.6 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | -71.3 | 170.5 | 173.5 | -49.3 | -66.7 | 0 | 0 | 0 | 114.7 | ||||
| 355 | G | 31.3 | Very low | 28.7 | Very low | 72 Ų | 72 | 129.6 Ų | 129.6 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | trans | 121.4 | 106 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 356 | E | 26.3 | Very low | 28.7 | Very low | 184 Ų | 184 | 132.1 Ų | 132.1 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | cis | 75 | 143.3 | 44.3 | -141.3 | -173.9 | -132.9 | 0 | 0 | 114 | ||||
| 357 | L | 29 | Very low | 28.6 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | trans | 74.4 | 107.6 | -177.7 | -84.8 | 69 | 0 | 0 | 0 | 120.4 | ||||
| 358 | L | 27 | Very low | 28.7 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | 64.2 | 137.5 | 120.4 | -63.6 | 175 | 0 | 0 | 0 | 124.2 | |||||
| 359 | T | 31.5 | Very low | 28.7 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | trans | 65.7 | 111.9 | 144.7 | 50.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 360 | N | 28.4 | Very low | 28.8 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | 12 | 156.7 | 115.6 | -85.3 | -22.1 | 0 | 0 | 0 | 120.1 | |||||
| 361 | P | 37.5 | Very low | 28.8 | Very low | 102 Ų | 102 | 132 Ų | 132 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | cis | -144.1 | -171.2 | -27.7 | 38.5 | -18.4 | 0 | 0 | 0 | 114.6 | ||||
| 362 | S | 27.6 | Very low | 28.7 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | 74.9 | 130.6 | 143 | 64 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 363 | F | 26.1 | Very low | 28.9 | Very low | 192 Ų | 192 | 132.9 Ų | 132.9 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | trans | 85.5 | 143.5 | 138.7 | -93.1 | -124.7 | 0 | 0 | 0 | 122.7 | ||||
| 364 | I | 28.5 | Very low | 29 | Very low | 142 Ų | 142 | 128.3 Ų | 128.3 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | 83.7 | 89 | 152.4 | -69.4 | 165.3 | 0 | 0 | 0 | 119.5 | ||||
| 365 | S | 28.7 | Very low | 29.1 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | 85.1 | 118.6 | 116.7 | 84.6 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 366 | H | 27.7 | Very low | 29.1 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | 72.2 | 132.6 | 122.5 | -86.1 | -95.6 | 0 | 0 | 0 | 123.4 | |||||
| 367 | V | 26.9 | Very low | 29.4 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | trans | 83.8 | 109.3 | 144 | 174.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 368 | S | 27.2 | Very low | 29.5 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -47.2 | 156.2 | 160.1 | -32.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 369 | L | 27.4 | Very low | 29.5 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | -148.8 | 162.9 | 118 | -112.1 | 161.3 | 0 | 0 | 0 | 110.7 | |||||
| 370 | A | 29 | Very low | 29.4 | Very low | 85 Ų | 85 | 133.5 Ų | 133.5 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | trans | -100.5 | 163.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 371 | C | 28.6 | Very low | 29.4 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | trans | -178.6 | 150 | 141.8 | -97.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 372 | S | 29.1 | Very low | 29.1 | Very low | 87 Ų | 87 | 134.3 Ų | 134.3 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | cis | -174.8 | 147.6 | -17.9 | 44.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 373 | E | 29.9 | Very low | 29 | Very low | 180 Ų | 180 | 137.5 Ų | 137.5 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | 66.3 | 147.8 | 155.1 | -67.3 | 169.4 | -165.7 | 0 | 0 | 120.1 | ||||
| 374 | G | 33.3 | Very low | 29.1 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 171.9 | 43.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 375 | Y | 30.7 | Very low | 29.2 | Very low | 198 Ų | 198 | 130.3 Ų | 130.3 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -28.8 | 129.6 | 178.1 | -79.9 | -102.5 | 0 | 0 | 0 | 118.3 | ||||
| 376 | L | 30.7 | Very low | 29.3 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | 178.5 | 124.5 | 106.6 | -100.6 | 167.5 | 0 | 0 | 0 | 114 | |||||
| 377 | P | 33.1 | Very low | 29.5 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | trans | -114 | 139.5 | 170 | 37.1 | -27.5 | 0 | 0 | 0 | 113.9 | ||||
| 378 | T | 31.6 | Very low | 29.6 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -146.9 | 101 | 167.6 | -48.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 379 | F | 26.3 | Very low | 29.6 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | 58.9 | 114.4 | 88.1 | -87.1 | -79.8 | 0 | 0 | 0 | 116.1 | |||||
| 380 | I | 30.2 | Very low | 29.6 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | trans | 173.7 | 101.9 | 130.5 | -91.5 | 159.6 | 0 | 0 | 0 | 105.6 | ||||
| 381 | Q | 27.6 | Very low | 29.5 | Very low | 167 Ų | 167 | 128.9 Ų | 128.9 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | 66.8 | 138.9 | 100.9 | -68.7 | 172.4 | -9.8 | 0 | 0 | 113.7 | |||||
| 382 | S | 30.3 | Very low | 29.6 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | cis | -152.5 | 134.7 | 4.3 | 44.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 383 | N | 26.8 | Very low | 29.5 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 88% | 0.882 | 74% | 0.735 | S | S | * | * | 47.1 | 104.6 | 85.9 | -71.1 | -8.1 | 0 | 0 | 0 | 114 | |||||
| 384 | G | 28.5 | Very low | 29.6 | Very low | 71 Ų | 71 | 127.7 Ų | 127.7 | 73% | 0.732 | 72% | 0.724 | S | S | * | * | trans | -147.1 | 139.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 385 | P | 29.6 | Very low | 29.6 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | trans | -93.3 | 162.8 | -157.9 | 36.2 | -37.9 | 0 | 0 | 0 | 115 | P387 | P385-P387 WeakPolarHBondContact O-CD 3.38Š| ||
| 386 | P | 31.5 | Very low | 29.7 | Very low | 130 Ų | 130 | 117.2 Ų | 117.2 | 84% | 0.844 | 67% | 0.672 | S | S | * | * | trans | -83.7 | 121.9 | 166.2 | 32.6 | -31.2 | 0 | 0 | 0 | 112 | ||||
| 387 | P | 30.8 | Very low | 29.9 | Very low | 119 Ų | 119 | 112.6 Ų | 112.6 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | trans | -112.8 | 135.1 | 174 | 12.9 | 9.9 | 0 | 0 | 0 | 112.7 | P385 | P385-P387 WeakPolarHBondContact O-CD 3.38Š| ||
| 388 | Q | 28.6 | Very low | 29.9 | Very low | 164 Ų | 164 | 113.1 Ų | 113.1 | 77% | 0.766 | 65% | 0.65 | S | S | * | * | trans | -91.9 | 149.4 | 176 | -66.7 | 174.1 | -39.9 | 0 | 0 | 112.6 | ||||
| 389 | D | 27.3 | Very low | 30.1 | Very low | 86 Ų | 86 | 116.8 Ų | 116.8 | 46% | 0.46 | 65% | 0.651 | S | S | . | * | trans | 48.9 | 134.7 | 163.6 | -24.6 | -49.3 | 0 | 0 | 0 | 118.5 | R418 | D389-R418 IonicContact OD2-CZ 2.62Å; D389-R418 VanDerWaalsContact OD2-CZ 3.29Å; D389-R418 IonicContact OD2-NE 3.09Å; D389-R418 PolarHBondContact OD2-NE 3.31Å; D389-R418 IonicContact OD2-NH2 2.67Å; D389-R418 PolarHBondContact OD2-NH2 3.39Å | ||
| 390 | I | 27.6 | Very low | 30.6 | Very low | 123 Ų | 123 | 113.8 Ų | 113.8 | 63% | 0.631 | 65% | 0.649 | S | S | * | * | -160.8 | 128.5 | 66.8 | -83.3 | 179.4 | 0 | 0 | 0 | 111.3 | |||||
| 391 | N | 28 | Very low | 30.5 | Very low | 98 Ų | 98 | 112.4 Ų | 112.4 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | trans | 25.1 | 126.1 | 145.3 | -56.8 | -13.2 | 0 | 0 | 0 | 123.7 | N417 | N391-N417 PolarHBondContact ND2-ND2 3.44Š| ||
| 392 | N | 29.8 | Very low | 30.6 | Very low | 117 Ų | 117 | 112.7 Ų | 112.7 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | 70.4 | 149.1 | 129.4 | -65.6 | -16.7 | 0 | 0 | 0 | 121 | |||||
| 393 | F | 28.1 | Very low | 30.6 | Very low | 192 Ų | 192 | 114.9 Ų | 114.9 | 84% | 0.842 | 65% | 0.653 | S | S | * | * | cis | -153.5 | 169.3 | -3.8 | -104.8 | -35.2 | 0 | 0 | 0 | 109.1 | ||||
| 394 | G | 32.3 | Very low | 30.9 | Very low | 59 Ų | 59 | 115.1 Ų | 115.1 | 61% | 0.608 | 65% | 0.654 | S | S | * | * | cis | 178.7 | -59.2 | -2.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | R706 | G394-R706 PolarHBondContact O-NH1 2.85Š| ||
| 395 | G | 32.7 | Very low | 30.9 | Very low | 23 Ų | 23 | 120.5 Ų | 120.5 | 24% | 0.237 | 66% | 0.658 | C | S | . | * | trans | -140 | -179.1 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R706 | G395-R706 CarbonylContact C-O 3.58Š| ||
| 396 | C | 32.2 | Very low | 30.9 | Very low | 31 Ų | 31 | 122.2 Ų | 122.2 | 21% | 0.209 | 65% | 0.651 | C | S | . | * | cis | -163.5 | 174.3 | -20.5 | -101 | 0 | 0 | 0 | 0 | 107.3 | R706 P707 T708 | C396-R706 VanDerWaalsContact CA-CZ 3.49Å; C396-R706 VanDerWaalsContact CA-NE 3.33Å; C396-R706 PolarHBondContact N-O 3.05Å; C396-R706 CarbonylContact O-C 3.6Å; C396-R706 WeakPolarHBondContact O-CG 3.36Å; C396-P707 CarbonylContact C-O 3.34Å; C396-P707 CarbonylContact O-C 3.56Å; C396-P707 WeakPolarHBondContact O-CA 3.06Å; C396-P707 WeakPolarHBondContact O-CD 3.31Å; C396-T708 HydrophobicContact CB-CG2 4.22Å | ||
| 397 | S | 35.9 | Very low | 30.8 | Very low | 61 Ų | 61 | 122.5 Ų | 122.5 | 43% | 0.427 | 64% | 0.643 | S | S | . | * | cis | 176.8 | -167.2 | -21.4 | -85.9 | 0 | 0 | 0 | 0 | 106.7 | R706 | S397-R706 PolarHBondContact OG-NH2 2.9Š| ||
| 398 | N | 33.3 | Very low | 30.7 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | trans | 81.3 | 154.2 | 175.9 | -51.1 | -10.4 | 0 | 0 | 0 | 114.1 | ||||
| 399 | Y | 34.7 | Very low | 30.7 | Very low | 203 Ų | 203 | 120.4 Ų | 120.4 | 80% | 0.796 | 64% | 0.642 | S | S | * | * | cis | -170.4 | 164.8 | -19.9 | -95.1 | -27 | 0 | 0 | 0 | 107.5 | ||||
| 400 | P | 36.4 | Very low | 30.9 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 75% | 0.747 | 66% | 0.659 | S | S | * | * | cis | -127.8 | 171.4 | -27.1 | 38.9 | -24.2 | 0 | 0 | 0 | 112.7 | ||||
| 401 | V | 27.9 | Very low | 30.9 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | trans | -136.6 | 142.6 | 171.8 | 174.2 | 0 | 0 | 0 | 0 | 108.9 | Q403 | V401-Q403 HydrophobicContact CG1-CG 4Š| ||
| 402 | N | 29.6 | Very low | 31.2 | Very low | 172 Ų | 172 | 129.1 Ų | 129.1 | 92% | 0.92 | 68% | 0.681 | S | S | * | * | trans | -79.2 | 115.3 | 165.9 | -93.3 | -4.6 | 0 | 0 | 0 | 109.3 | ||||
| 403 | Q | 30.6 | Very low | 31.2 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | trans | -143.8 | 118.1 | 179.5 | -102.2 | 179.6 | -16.9 | 0 | 0 | 110.5 | V401 F405 | V401-Q403 HydrophobicContact CG1-CG 4Å; Q403-F405 WeakPolarHBondContact O-CD2 3.45Å | ||
| 404 | D | 32.7 | Very low | 31.3 | Very low | 169 Ų | 169 | 128.7 Ų | 128.7 | 90% | 0.904 | 69% | 0.687 | S | S | * | * | trans | -134.8 | 140.7 | 164.7 | -76.7 | -53.9 | 0 | 0 | 0 | 109.1 | ||||
| 405 | F | 30.5 | Very low | 31.2 | Very low | 184 Ų | 184 | 130 Ų | 130 | 81% | 0.807 | 70% | 0.7 | S | S | * | * | -143.3 | 142.6 | -59.6 | -135.7 | -77.9 | 0 | 0 | 0 | 106.4 | Q403 | Q403-F405 WeakPolarHBondContact O-CD2 3.45Š| |||
| 406 | Y | 28.2 | Very low | 31.1 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 58% | 0.58 | 73% | 0.727 | S | S | * | * | trans | -127.4 | 158.6 | -175.9 | -125.8 | -87 | 0 | 0 | 0 | 109.5 | K1082 | Y406-K1082 WeakPolarHBondContact OH-CD 3.39Å; Y406-K1082 WeakPolarHBondContact OH-CE 3.41Å; Y406-K1082 PolarHBondContact OH-NZ 2.92Å | ||
| 407 | M | 29 | Very low | 31.1 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | trans | 75.5 | 139.6 | 158.4 | -67.9 | -45.8 | -152.2 | 0 | 0 | 123 | ||||
| 408 | H | 30.1 | Very low | 30.9 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | 52.2 | 113.4 | 138.3 | -59.9 | -47.9 | 0 | 0 | 0 | 123.5 | ||||
| 409 | G | 28.2 | Very low | 30.7 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | 94.4 | 141 | 112.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 410 | P | 31.7 | Very low | 30.3 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -116.3 | 117 | 163.8 | 35 | -22.4 | 0 | 0 | 0 | 112.6 | ||||
| 411 | Y | 27 | Very low | 29.9 | Very low | 225 Ų | 225 | 138 Ų | 138 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | trans | -149.9 | 143.7 | 169.2 | -111.6 | -73.2 | 0 | 0 | 0 | 111.9 | ||||
| 412 | N | 35.4 | Very low | 29.9 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -139 | 150.1 | 164.7 | -78.8 | -70.7 | 0 | 0 | 0 | 108.9 | ||||
| 413 | N | 28.8 | Very low | 29.9 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | cis | 87.4 | 148.2 | 17.1 | -157.2 | 11.7 | 0 | 0 | 0 | 115.5 | ||||
| 414 | L | 30.9 | Very low | 29.7 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | 63.3 | 125.6 | -164.3 | -52.5 | 176.5 | 0 | 0 | 0 | 114.1 | ||||
| 415 | G | 29.7 | Very low | 29.4 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 88% | 0.876 | 73% | 0.734 | S | S | * | * | cis | 139.1 | 113.9 | -12.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 416 | G | 31.2 | Very low | 29.3 | Very low | 77 Ų | 77 | 130.2 Ų | 130.2 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | trans | -178.9 | 149.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 417 | N | 31.5 | Very low | 29.4 | Very low | 90 Ų | 90 | 130.6 Ų | 130.6 | 48% | 0.481 | 74% | 0.74 | S | S | . | * | trans | -110.1 | 149.9 | -162.4 | -83.3 | 1.5 | 0 | 0 | 0 | 116.7 | N391 | N391-N417 PolarHBondContact ND2-ND2 3.44Š| ||
| 418 | R | 31.2 | Very low | 29.4 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 51% | 0.509 | 74% | 0.741 | S | S | . | * | trans | 35.5 | 127.6 | 140.8 | -65.6 | -175 | 170.8 | -159.5 | -3.7 | 122.4 | D389 | D389-R418 IonicContact OD2-CZ 2.62Å; D389-R418 VanDerWaalsContact OD2-CZ 3.29Å; D389-R418 IonicContact OD2-NE 3.09Å; D389-R418 PolarHBondContact OD2-NE 3.31Å; D389-R418 IonicContact OD2-NH2 2.67Å; D389-R418 PolarHBondContact OD2-NH2 3.39Å | ||
| 419 | T | 28.6 | Very low | 29.4 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | -154.1 | 132.4 | 104.4 | 32.6 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 420 | V | 28 | Very low | 29.4 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | 60 | 109.9 | 69.8 | -178.7 | 0 | 0 | 0 | 0 | 109 | |||||
| 421 | E | 26.7 | Very low | 29.2 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | -148 | 171.8 | 53.8 | -72.3 | -170.5 | 152.2 | 0 | 0 | 116.4 | |||||
| 422 | H | 28.7 | Very low | 29.2 | Very low | 170 Ų | 170 | 123.8 Ų | 123.8 | 79% | 0.787 | 73% | 0.725 | S | S | * | * | trans | 24.9 | 145.6 | 143.4 | -64.5 | -59 | 0 | 0 | 0 | 123.2 | ||||
| 423 | A | 28.4 | Very low | 28.8 | Very low | 78 Ų | 78 | 122.8 Ų | 122.8 | 65% | 0.645 | 72% | 0.724 | S | S | * | * | cis | -169.9 | 161.6 | -9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 424 | S | 26.2 | Very low | 28.7 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | 51.5 | 134.4 | 148.2 | -53.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 425 | S | 27.5 | Very low | 28.4 | Very low | 99 Ų | 99 | 120.7 Ų | 120.7 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | trans | 58.8 | 140.8 | 135.4 | 61 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 426 | E | 28.3 | Very low | 28.6 | Very low | 171 Ų | 171 | 121.9 Ų | 121.9 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | cis | -162.8 | -173 | 5.8 | -121.9 | 164.4 | -146.5 | 0 | 0 | 112.4 | ||||
| 427 | H | 30.6 | Very low | 28.6 | Very low | 156 Ų | 156 | 122.9 Ų | 122.9 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | trans | -21.8 | 156.4 | 159.7 | -64.2 | -58.4 | 0 | 0 | 0 | 119 | ||||
| 428 | T | 27.9 | Very low | 28.5 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 69% | 0.693 | 72% | 0.724 | S | S | * | * | cis | -164.6 | 141.5 | 2.5 | 8.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 429 | T | 30 | Very low | 28.2 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | trans | 32.5 | 133.7 | 139.9 | 59.2 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 430 | N | 28.9 | Very low | 28.2 | Very low | 148 Ų | 148 | 125.2 Ų | 125.2 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | trans | 86.9 | 141.1 | 136.9 | -64.4 | -9.9 | 0 | 0 | 0 | 122.4 | ||||
| 431 | G | 28.2 | Very low | 28 | Very low | 60 Ų | 60 | 125.2 Ų | 125.2 | 62% | 0.619 | 73% | 0.729 | S | S | * | * | trans | 84.7 | 144.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 432 | L | 26.6 | Very low | 28.1 | Very low | 153 Ų | 153 | 125 Ų | 125 | 80% | 0.801 | 73% | 0.728 | S | S | * | * | cis | -149.3 | 162.6 | -11.4 | -101.2 | 173.6 | 0 | 0 | 0 | 110.5 | ||||
| 433 | V | 26.8 | Very low | 27.9 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | trans | -27.5 | 130.4 | 171.6 | -171.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 434 | T | 25.9 | Very low | 27.8 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | 177.4 | 148.5 | 117 | 28.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 435 | N | 26.1 | Very low | 28.3 | Very low | 142 Ų | 142 | 123.8 Ų | 123.8 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | 44.7 | 105.2 | 155 | -53.4 | -28.6 | 0 | 0 | 0 | 118.4 | ||||
| 436 | S | 33.9 | Very low | 28.1 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | 54.6 | 116.6 | 72.7 | -163.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 437 | P | 30.6 | Very low | 28 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 63% | 0.63 | 72% | 0.717 | S | S | * | * | -139.2 | -176.7 | 75.4 | 24.6 | -1.7 | 0 | 0 | 0 | 115.5 | |||||
| 438 | Y | 29.9 | Very low | 27.8 | Very low | 224 Ų | 224 | 127.9 Ų | 127.9 | 88% | 0.878 | 72% | 0.716 | S | S | * | * | trans | 67.8 | 99.1 | 174.2 | -50.8 | -71.4 | 0 | 0 | 0 | 115.1 | ||||
| 439 | G | 25.5 | Very low | 27.6 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | cis | 109.4 | 122.7 | 12.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 440 | P | 26.7 | Very low | 27.5 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | -76.1 | 135 | -177.9 | 31.6 | -33.9 | 0 | 0 | 0 | 110.8 | Q442 | P440-Q442 VanDerWaalsContact C-N 3.29Å; P440-Q442 PolarHBondContact O-N 3.2Å | ||
| 441 | V | 25.3 | Very low | 27.4 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | trans | -82.9 | 77.6 | 175.5 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | Y443 Y822 | V441-Y443 HydrophobicContact CG1-CD2 4.48Å; V441-Y822 HydrophobicContact CG1-CE2 4.13Å | ||
| 442 | Q | 27.7 | Very low | 27.3 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | -72.3 | 115 | 153.3 | -79.7 | -179.9 | -59.2 | 0 | 0 | 109.1 | P440 | P440-Q442 VanDerWaalsContact C-N 3.29Å; P440-Q442 PolarHBondContact O-N 3.2Å | ||
| 443 | Y | 25.7 | Very low | 27.4 | Very low | 175 Ų | 175 | 137 Ų | 137 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | trans | -155.3 | 149.2 | 149.7 | -83.2 | -71.8 | 0 | 0 | 0 | 106.8 | V441 H820 | V441-Y443 HydrophobicContact CG1-CD2 4.48Å; Y443-H820 PolarHBondContact O-CD2 3.41Å | ||
| 444 | G | 26.3 | Very low | 27.8 | Very low | 41 Ų | 41 | 136.1 Ų | 136.1 | 42% | 0.423 | 72% | 0.719 | S | S | . | * | cis | 148.1 | 122.1 | 0.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | H820 | G444-H820 PolarHBondContact N-NE2 3.22Š| ||
| 445 | P | 35.2 | Very low | 28 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 74% | 0.74 | 73% | 0.726 | S | S | * | * | trans | -91.7 | 145.2 | -159.5 | 34 | -36.8 | 0 | 0 | 0 | 115.8 | ||||
| 446 | Q | 25.2 | Very low | 28.1 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -165.4 | 130.6 | 153 | -104.6 | 142.5 | 92.9 | 0 | 0 | 107.7 | ||||
| 447 | K | 25.2 | Very low | 27.8 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 77% | 0.774 | 70% | 0.702 | S | S | * | * | 53.1 | 124.4 | 71.6 | -56.3 | -180 | -179.4 | 175 | 0 | 110.4 | |||||
| 448 | F | 25.7 | Very low | 28.3 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 69% | 0.693 | 71% | 0.709 | S | S | * | * | cis | -138.7 | 152.2 | 35.4 | -90 | -105 | 0 | 0 | 0 | 111.9 | ||||
| 449 | Q | 25.3 | Very low | 28.4 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | 37.8 | 129.8 | 100 | -43.9 | -178.1 | -11.4 | 0 | 0 | 114.2 | |||||
| 450 | H | 27.4 | Very low | 28.7 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | cis | -141.2 | 148.6 | 30.6 | -77.4 | -102.6 | 0 | 0 | 0 | 110.4 | ||||
| 451 | T | 26.1 | Very low | 29.5 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | 64.7 | 97.3 | 57.3 | -37.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 452 | L | 26.7 | Very low | 29.6 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | 177.6 | 150.1 | 122.1 | -92.7 | 164.9 | 0 | 0 | 0 | 113.9 | |||||
| 453 | Y | 28.5 | Very low | 29.7 | Very low | 208 Ų | 208 | 132 Ų | 132 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | trans | -87.7 | -168.4 | 171.4 | -79.6 | -92.6 | 0 | 0 | 0 | 110.8 | ||||
| 454 | P | 35.9 | Very low | 29.8 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | cis | -137.9 | 171 | -5.6 | 21.6 | 4.1 | 0 | 0 | 0 | 117.9 | ||||
| 455 | R | 28.9 | Very low | 29.9 | Very low | 224 Ų | 224 | 138 Ų | 138 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | 60.2 | 168.7 | 151.5 | -75 | 174.3 | 170.5 | 157.1 | -2 | 118 | N891 | R455-N891 VanDerWaalsContact C-ND2 3.31Å; R455-N891 WeakPolarHBondContact CB-OD1 3.46Å; R455-N891 PolarHBondContact O-ND2 2.81Å; R455-N891 PolarHBondContact O-OD1 2.68Å; R455-N891 VanDerWaalsContact O-OD1 3.13Å | ||
| 456 | G | 29 | Very low | 29.4 | Very low | 53 Ų | 53 | 139.2 Ų | 139.2 | 55% | 0.546 | 75% | 0.751 | S | S | . | * | cis | 120.9 | 86.5 | -7.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | N891 | G456-N891 PolarHBondContact N-ND2 2.75Å; G456-N891 PolarHBondContact N-OD1 3.26Å; G456-N891 VanDerWaalsContact N-OD1 3.07Å | ||
| 457 | V | 28 | Very low | 29.5 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 49% | 0.485 | 75% | 0.75 | S | S | . | * | trans | -157.3 | 142.3 | 156.6 | 157.5 | 0 | 0 | 0 | 0 | 110.6 | N891 | V457-N891 HydrophobicContact CB-CB 3.8Å; V457-N891 HydrophobicContact CG2-CB 3.89Å | ||
| 458 | S | 39.3 | Very low | 29.5 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -115.4 | 160.1 | 167.5 | -52.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 459 | P | 33.4 | Very low | 29.8 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | -128.2 | 148.5 | 121.4 | 5.4 | 16.6 | 0 | 0 | 0 | 111 | |||||
| 460 | A | 32.3 | Very low | 30 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | cis | 91.6 | 145.5 | 49.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 461 | P | 41.6 | Very low | 30.1 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | trans | -105 | 167.1 | -150.6 | 40.1 | -36.2 | 0 | 0 | 0 | 115.4 | ||||
| 462 | G | 27.8 | Very low | 30.3 | Very low | 67 Ų | 67 | 134.5 Ų | 134.5 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | -173.1 | 148.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 463 | D | 30.9 | Very low | 30.4 | Very low | 173 Ų | 173 | 131 Ų | 131 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | trans | 67.1 | 145.8 | 153.1 | -60.3 | -24.2 | 0 | 0 | 0 | 124.4 | ||||
| 464 | Q | 26.5 | Very low | 30.4 | Very low | 182 Ų | 182 | 124.5 Ų | 124.5 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | trans | -94.5 | 159.7 | -177.2 | -51.5 | 163.4 | 21 | 0 | 0 | 109.9 | ||||
| 465 | L | 29.5 | Very low | 30.2 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 159.5 | 101.8 | 147.8 | -87.7 | 159.7 | 0 | 0 | 0 | 105.8 | ||||
| 466 | N | 24.6 | Very low | 30.2 | Very low | 141 Ų | 141 | 120.5 Ų | 120.5 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | 55.7 | 100.7 | 64.4 | -168.7 | 38.7 | 0 | 0 | 0 | 113.3 | |||||
| 467 | I | 26.8 | Very low | 30.3 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -168.9 | 161 | 150.2 | -100.5 | 150.7 | 0 | 0 | 0 | 110 | ||||
| 468 | Q | 25.6 | Very low | 30.4 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | trans | -70.3 | 153.2 | -149.8 | -76.9 | 90.4 | -40.1 | 0 | 0 | 121 | ||||
| 469 | V | 31 | Very low | 30.2 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -17.4 | 153.7 | 132.5 | -99 | 0 | 0 | 0 | 0 | 117 | N471 | V469-N471 HydrophobicContact CG1-CB 4.15Š| ||
| 470 | P | 31.2 | Very low | 29.9 | Very low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | -129.8 | 160.3 | 50.9 | 38.1 | -22.2 | 0 | 0 | 0 | 115.3 | |||||
| 471 | N | 29.1 | Very low | 30.1 | Very low | 139 Ų | 139 | 135 Ų | 135 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | cis | 81.9 | 93.1 | 28.7 | -164.6 | 39.3 | 0 | 0 | 0 | 115.9 | V469 | V469-N471 HydrophobicContact CG1-CB 4.15Š| ||
| 472 | C | 29.2 | Very low | 30 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | 179 | 152.3 | 158 | -101.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 473 | A | 29.3 | Very low | 30.2 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | cis | -168.3 | 133.6 | -27.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 474 | G | 28.9 | Very low | 30.1 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | 75 | 169.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 475 | V | 31.4 | Very low | 30.4 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | cis | -142.5 | 125.2 | -3 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 476 | N | 29.4 | Very low | 30.3 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | trans | 17.3 | 137.9 | 147.5 | -40.1 | -19.2 | 0 | 0 | 0 | 119.9 | ||||
| 477 | N | 30.7 | Very low | 30.6 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | -162.8 | 137.1 | 69 | -93.6 | -48.9 | 0 | 0 | 0 | 117.2 | |||||
| 478 | Y | 29.8 | Very low | 30.7 | Very low | 193 Ų | 193 | 129 Ų | 129 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | trans | -39.8 | 176.6 | 160.7 | -72.8 | -84.1 | 0 | 0 | 0 | 119.2 | ||||
| 479 | P | 34.4 | Very low | 30.9 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | cis | -131 | -177.1 | 12.6 | 22 | 4.2 | 0 | 0 | 0 | 118.4 | ||||
| 480 | M | 28.6 | Very low | 30.8 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 78% | 0.778 | 74% | 0.741 | S | S | * | * | trans | -135.3 | 161.3 | -174 | -102.3 | -81.2 | -155.8 | 0 | 0 | 111.5 | ||||
| 481 | H | 36.7 | Very low | 30.7 | Very low | 139 Ų | 139 | 129 Ų | 129 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | trans | 66.1 | 163.4 | 156.7 | -86.2 | -53 | 0 | 0 | 0 | 118.5 | V483 | H481-V483 HydrophobicContact CB-CG2 3.8Å; H481-V483 PolarHBondContact ND1-N 2.84Å | ||
| 482 | P | 38.5 | Very low | 31 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | cis | -87.8 | 166.9 | 47.2 | -17.4 | 36.1 | 0 | 0 | 0 | 117 | ||||
| 483 | V | 31.9 | Very low | 31.4 | Very low | 99 Ų | 99 | 125 Ų | 125 | 60% | 0.6 | 73% | 0.734 | S | S | * | * | cis | 80.6 | 135.6 | 13.6 | -176 | 0 | 0 | 0 | 0 | 111.7 | H481 | H481-V483 HydrophobicContact CB-CG2 3.8Å; H481-V483 PolarHBondContact ND1-N 2.84Å | ||
| 484 | D | 29.5 | Very low | 31.4 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 67% | 0.674 | 73% | 0.734 | S | S | * | * | cis | -161.6 | 178.7 | 35.2 | -146.7 | -26.5 | 0 | 0 | 0 | 114.7 | ||||
| 485 | T | 32.4 | Very low | 31.5 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 74 | 145.8 | 148.8 | -61.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 486 | M | 27.1 | Very low | 31.2 | Very low | 162 Ų | 162 | 135 Ų | 135 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | cis | 173.3 | -177.1 | -43.2 | -105.6 | -158.7 | -166 | 0 | 0 | 108.3 | ||||
| 487 | V | 30.5 | Very low | 31.4 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | 75.3 | 102.8 | 167.7 | -167.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 488 | N | 29.4 | Very low | 31.6 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | cis | 80.3 | 117.7 | 20.5 | -152.9 | 20.4 | 0 | 0 | 0 | 116.2 | ||||
| 489 | T | 30.4 | Very low | 31.6 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | 174.3 | 105 | 157.6 | -75.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 490 | L | 28.8 | Very low | 31.3 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | 64.9 | 125.8 | 79.7 | -75.8 | 150.1 | 0 | 0 | 0 | 112.6 | |||||
| 491 | V | 28.7 | Very low | 31.1 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | -165 | 160.6 | 66.3 | 165.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 492 | G | 35.6 | Very low | 30.6 | Very low | 66 Ų | 66 | 124.3 Ų | 124.3 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | -82.2 | -137.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 493 | P | 37.7 | Very low | 30.1 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | cis | -108.9 | 162.2 | 1.6 | 11.1 | 14.3 | 0 | 0 | 0 | 112.8 | ||||
| 494 | Q | 29.2 | Very low | 29.8 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | 64.7 | 97.8 | 59.1 | -70.9 | -95.1 | 27.8 | 0 | 0 | 115.9 | |||||
| 495 | F | 30.4 | Very low | 29.7 | Very low | 192 Ų | 192 | 129.2 Ų | 129.2 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | -156.8 | 104 | 146.1 | -100.7 | -85.3 | 0 | 0 | 0 | 106.2 | ||||
| 496 | L | 26.6 | Very low | 29.5 | Very low | 142 Ų | 142 | 128.3 Ų | 128.3 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | 71.3 | 124.6 | 84.8 | -73.6 | 166.6 | 0 | 0 | 0 | 114.2 | |||||
| 497 | G | 33 | Very low | 29.6 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | -81.7 | -161.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 498 | P | 34.8 | Very low | 29.5 | Very low | 135 Ų | 135 | 118.1 Ų | 118.1 | 88% | 0.877 | 72% | 0.721 | S | S | * | * | -144.2 | -178.1 | 68.8 | 41.3 | -25.2 | 0 | 0 | 0 | 116.1 | |||||
| 499 | S | 28.6 | Very low | 29.4 | Very low | 115 Ų | 115 | 114.4 Ų | 114.4 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | -65.2 | 154.3 | 175.2 | -40.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 500 | A | 28.4 | Very low | 29.1 | Very low | 102 Ų | 102 | 117.4 Ų | 117.4 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | trans | -148.2 | 136.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 501 | N | 25.7 | Very low | 29 | Very low | 167 Ų | 167 | 118 Ų | 118 | 89% | 0.893 | 72% | 0.717 | S | S | * | * | trans | -67.8 | 160.1 | -172.3 | -56.2 | -42.4 | 0 | 0 | 0 | 115.5 | ||||
| 502 | G | 26.6 | Very low | 28.8 | Very low | 66 Ų | 66 | 117 Ų | 117 | 68% | 0.68 | 71% | 0.708 | S | S | * | * | trans | 151.2 | 88.6 | 164 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 503 | H | 26.7 | Very low | 28.7 | Very low | 196 Ų | 196 | 121 Ų | 121 | 91% | 0.907 | 71% | 0.713 | S | S | * | * | 60 | 130.4 | 88.7 | -80.1 | 17.8 | 0 | 0 | 0 | 115 | |||||
| 504 | A | 26.9 | Very low | 28.3 | Very low | 74 Ų | 74 | 120.7 Ų | 120.7 | 61% | 0.612 | 71% | 0.711 | S | S | * | * | cis | -168 | 164.2 | -13.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 505 | Q | 26.6 | Very low | 28.1 | Very low | 175 Ų | 175 | 117.8 Ų | 117.8 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | 65.7 | 129.3 | 164.5 | -50.2 | 177.8 | 18.5 | 0 | 0 | 116 | ||||
| 506 | N | 28 | Very low | 27.9 | Very low | 96 Ų | 96 | 114.3 Ų | 114.3 | 51% | 0.513 | 70% | 0.703 | S | S | . | * | cis | -164 | -167.9 | -8 | -111.7 | -60.3 | 0 | 0 | 0 | 105.4 | I883 N884 | N506-I883 HydrophobicContact CB-CB 4.05Å; N506-I883 HydrophobicContact CB-CD1 3.71Å; N506-I883 HydrophobicContact CB-CG1 3.54Å; N506-I883 HydrophobicContact CB-CG2 3.57Å; N506-N884 HydrophobicContact CB-CB 4.49Å; N506-N884 PolarHBondContact OD1-ND2 3.47Å | ||
| 507 | G | 28.7 | Very low | 27.8 | Very low | 36 Ų | 36 | 110.9 Ų | 110.9 | 37% | 0.371 | 70% | 0.703 | S | S | . | * | cis | 150.1 | 165 | 2.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I883 N884 | G507-I883 WeakPolarHBondContact O-CA 3.49Å; G507-I883 PolarHBondContact O-N 2.87Å; G507-N884 VanDerWaalsContact CA-CG 3.49Å; G507-N884 VanDerWaalsContact CA-ND2 3.28Å; G507-N884 WeakPolarHBondContact CA-ND2 3.4Å | ||
| 508 | A | 28.5 | Very low | 27.4 | Very low | 38 Ų | 38 | 115.6 Ų | 115.6 | 31% | 0.314 | 71% | 0.711 | S | S | . | * | trans | 38.2 | 137.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | G882 I883 N884 | A508-G882 WeakPolarHBondContact O-CA 3.38Å; A508-I883 PolarHBondContact O-N 3.13Å; A508-N884 WeakPolarHBondContact CA-OD1 3.14Å; A508-N884 VanDerWaalsContact CB-CA 3.5Å; A508-N884 HydrophobicContact CB-CB 4.06Å; A508-N884 WeakPolarHBondContact CB-OD1 3.24Å; A508-N884 PolarHBondContact N-OD1 2.84Å | ||
| 509 | G | 27 | Very low | 26.9 | Very low | 59 Ų | 59 | 117.6 Ų | 117.6 | 61% | 0.608 | 70% | 0.702 | S | S | * | * | cis | 80 | 148.2 | -3.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 510 | F | 25.5 | Very low | 26.8 | Very low | 183 Ų | 183 | 117.2 Ų | 117.2 | 80% | 0.803 | 69% | 0.688 | S | S | * | * | cis | -166.4 | 135.5 | -6.1 | -129.2 | -89.6 | 0 | 0 | 0 | 109.1 | ||||
| 511 | Q | 26.9 | Very low | 26.7 | Very low | 149 Ų | 149 | 115.4 Ų | 115.4 | 70% | 0.696 | 67% | 0.669 | S | S | * | * | trans | 59.8 | 149.8 | 148.9 | -91.2 | -179.6 | 4.7 | 0 | 0 | 125.4 | ||||
| 512 | N | 24.4 | Very low | 26.7 | Very low | 113 Ų | 113 | 114 Ų | 114 | 60% | 0.604 | 66% | 0.66 | S | S | * | * | trans | 81.3 | 105.4 | 144.9 | -62.1 | -18.8 | 0 | 0 | 0 | 123.7 | ||||
| 513 | L | 33 | Very low | 26.7 | Very low | 151 Ų | 151 | 117.1 Ų | 117.1 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | 65.7 | 160.9 | 129.9 | -68.1 | 163.5 | 0 | 0 | 0 | 118.8 | |||||
| 514 | P | 28.9 | Very low | 26.8 | Very low | 111 Ų | 111 | 116 Ų | 116 | 72% | 0.721 | 66% | 0.655 | S | S | * | * | cis | -141.2 | 166.3 | 18.7 | 45.3 | -27.4 | 0 | 0 | 0 | 119 | ||||
| 515 | V | 25.7 | Very low | 27.3 | Very low | 105 Ų | 105 | 117 Ų | 117 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | 25.7 | 121.6 | 127.7 | -169.4 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 516 | S | 24.7 | Very low | 27.4 | Very low | 118 Ų | 118 | 118.2 Ų | 118.2 | 83% | 0.825 | 66% | 0.658 | S | S | * | * | trans | 65 | 134 | 147.3 | -62 | 0 | 0 | 0 | 0 | 123 | ||||
| 517 | G | 24.7 | Very low | 27.7 | Very low | 71 Ų | 71 | 120.3 Ų | 120.3 | 73% | 0.732 | 67% | 0.669 | S | S | * | * | trans | 90 | 157.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 518 | L | 25.6 | Very low | 28 | Very low | 168 Ų | 168 | 124.1 Ų | 124.1 | 88% | 0.88 | 69% | 0.687 | S | S | * | * | cis | -144 | 156.3 | 0.9 | -86.5 | 171.2 | 0 | 0 | 0 | 111.6 | ||||
| 519 | Y | 24 | Very low | 27.9 | Very low | 176 Ų | 176 | 127 Ų | 127 | 69% | 0.69 | 71% | 0.705 | S | S | * | * | trans | -7.2 | 140.9 | 140.8 | -99.2 | -115.8 | 0 | 0 | 0 | 118.3 | H860 | Y519-H860 WeakPolarHBondContact CE1-O 3.49Š| ||
| 520 | Q | 26 | Very low | 28.1 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 51% | 0.505 | 72% | 0.715 | S | S | . | * | trans | 56.3 | 148.9 | 130.4 | -118.3 | 63.4 | 14.9 | 0 | 0 | 119.5 | H860 Q861 | Q520-H860 HydrophobicContact CG-CB 3.55Å; Q520-Q861 PolarHBondContact NE2-O 3.12Å | ||
| 521 | S | 25.9 | Very low | 28.2 | Very low | 63 Ų | 63 | 130 Ų | 130 | 44% | 0.441 | 71% | 0.709 | S | S | . | * | cis | -177.4 | 175.6 | 27.4 | -165.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 522 | L | 26 | Very low | 28.3 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | trans | 69.8 | 150.1 | 162.4 | -43.3 | -179 | 0 | 0 | 0 | 117.6 | ||||
| 523 | I | 27.7 | Very low | 28.5 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 68% | 0.677 | 72% | 0.718 | S | S | * | * | cis | -161.7 | 124.8 | -26 | -112.2 | 169.4 | 0 | 0 | 0 | 105.2 | ||||
| 524 | Q | 28.8 | Very low | 28.3 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 81% | 0.808 | 71% | 0.714 | S | S | * | * | 80.1 | 166.6 | 91 | -116.1 | -161.2 | 58.9 | 0 | 0 | 115.1 | |||||
| 525 | P | 36.9 | Very low | 28.3 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 61% | 0.61 | 73% | 0.726 | S | S | * | * | -134.3 | -177.9 | -109.1 | 43.1 | -26 | 0 | 0 | 0 | 116.4 | |||||
| 526 | K | 28.8 | Very low | 28.4 | Very low | 202 Ų | 202 | 133.2 Ų | 133.2 | 88% | 0.878 | 74% | 0.735 | S | S | * | * | 175.7 | 146.4 | 125.5 | -97 | 162.6 | -175.9 | 179.3 | 0 | 117.9 | |||||
| 527 | D | 33.1 | Very low | 28.7 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -57.6 | 172.2 | 163.8 | -95.9 | -69 | 0 | 0 | 0 | 115.8 | ||||
| 528 | P | 35.5 | Very low | 29.1 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | cis | -153 | 157.6 | 40.7 | 42.3 | -20.3 | 0 | 0 | 0 | 123.1 | ||||
| 529 | S | 27.8 | Very low | 29.5 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | trans | 19.6 | 141.4 | 134.7 | -50.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 530 | I | 29.5 | Very low | 29.9 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 82% | 0.815 | 74% | 0.738 | S | S | * | * | 176.8 | 112.4 | 127 | -92 | 154.3 | 0 | 0 | 0 | 109.5 | |||||
| 531 | H | 28.5 | Very low | 30.3 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 68% | 0.676 | 75% | 0.749 | S | S | * | * | 67.2 | 115.1 | 92.2 | -123.9 | -77.8 | 0 | 0 | 0 | 115.7 | |||||
| 532 | I | 29.9 | Very low | 30.9 | Very low | 146 Ų | 146 | 136 Ų | 136 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | 177.4 | 123.7 | 97.7 | -85.8 | 155.1 | 0 | 0 | 0 | 105.8 | |||||
| 533 | Q | 28.1 | Very low | 31.4 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 73% | 0.729 | 76% | 0.756 | S | S | * | * | 69.5 | 130.1 | 64.3 | -159.9 | 175.5 | 12.2 | 0 | 0 | 113.7 | |||||
| 534 | A | 28.4 | Very low | 32 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | cis | 171 | 138.5 | -25.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 535 | Q | 28.5 | Very low | 32.4 | Very low | 209 Ų | 209 | 134.9 Ų | 134.9 | 98% | 0.977 | 75% | 0.747 | S | S | * | * | trans | -164.9 | 157.1 | 158.4 | -112.8 | 167.2 | 23.5 | 0 | 0 | 110.1 | ||||
| 536 | A | 27.8 | Very low | 32.4 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -127.2 | 149.6 | -159.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 537 | V | 32 | Very low | 32.7 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | -137.2 | 140.5 | 164.1 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 538 | Q | 32.1 | Very low | 33 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 77% | 0.771 | 72% | 0.717 | S | S | * | * | trans | -26.3 | 139.8 | 176.5 | -59.7 | -72 | 1.3 | 0 | 0 | 117.6 | ||||
| 539 | P | 35 | Very low | 33.5 | Very low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 70% | 0.704 | S | S | * | * | trans | -81.3 | 144.1 | 168.6 | 34.5 | -33.2 | 0 | 0 | 0 | 112.2 | ||||
| 540 | V | 32.4 | Very low | 34.1 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | trans | -128.7 | 113.8 | 166.3 | -177.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 541 | S | 34.2 | Very low | 34.5 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | trans | -90.3 | 114.2 | -172.8 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 542 | N | 37.1 | Very low | 35.4 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 54% | 0.54 | 68% | 0.682 | S | S | . | * | trans | -118.6 | 4.5 | 176.4 | -92 | -8.5 | 0 | 0 | 0 | 114.3 | Q544 Q545 | N542-Q544 PolarHBondContact O-N 2.82Å; N542-Q545 PolarHBondContact O-N 3.22Å | ||
| 543 | D | 37.2 | Very low | 36.3 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 75% | 0.749 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 0.3 | -171.9 | -60.5 | -46.4 | 0 | 0 | 0 | 115.1 | ||
| 544 | Q | 39.6 | Very low | 37.4 | Very low | 138 Ų | 138 | 115.9 Ų | 115.9 | 65% | 0.645 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -3.9 | 175.9 | -155.2 | 159.7 | -7 | 0 | 0 | 113.4 | N542 | N542-Q544 PolarHBondContact O-N 2.82Š|
| 545 | Q | 38.3 | Very low | 38.5 | Very low | 140 Ų | 140 | 117 Ų | 117 | 65% | 0.654 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -28.4 | 173.1 | -81.1 | -173.9 | -21.9 | 0 | 0 | 114.1 | N542 A548 A549 | N542-Q545 PolarHBondContact O-N 3.22Å; Q545-A548 PolarHBondContact O-N 3.44Å; Q545-A549 WeakPolarHBondContact O-CB 3.3Å; Q545-A549 PolarHBondContact O-N 3.38Å |
| 546 | Q | 37 | Very low | 39.4 | Very low | 136 Ų | 136 | 114 Ų | 114 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.1 | -35.1 | -177.7 | -66.3 | -167.5 | 5.4 | 0 | 0 | 113.5 | A549 L550 | Q546-A549 PolarHBondContact O-N 2.82Å; Q546-L550 PolarHBondContact O-N 3.3Å |
| 547 | S | 35.8 | Very low | 40.4 | Very low | 75 Ų | 75 | 114.7 Ų | 114.7 | 52% | 0.524 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.1 | -43.6 | 172.3 | 48.6 | 0 | 0 | 0 | 0 | 111.8 | L550 F551 | S547-L550 PolarHBondContact O-N 3.15Å; S547-F551 WeakPolarHBondContact O-CB 3.47Å; S547-F551 PolarHBondContact O-N 3.1Å |
| 548 | A | 39.7 | Very low | 40.9 | Very low | 55 Ų | 55 | 115.5 Ų | 115.5 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.1 | -41 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q545 F551 A552 | Q545-A548 PolarHBondContact O-N 3.44Å; A548-F551 PolarHBondContact O-N 2.78Å; A548-A552 WeakPolarHBondContact O-CB 3.39Å; A548-A552 PolarHBondContact O-N 3.49Å |
| 549 | A | 44.3 | Very low | 41.5 | Very low | 57 Ų | 57 | 110.2 Ų | 110.2 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68 | -40.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q545 Q546 H553 | Q545-A549 WeakPolarHBondContact O-CB 3.3Å; Q545-A549 PolarHBondContact O-N 3.38Å; Q546-A549 PolarHBondContact O-N 2.82Å; A549-H553 WeakPolarHBondContact O-CB 3.33Å; A549-H553 PolarHBondContact O-N 2.88Å |
| 550 | L | 41.5 | Very low | 41.7 | Very low | 125 Ų | 125 | 106.1 Ų | 106.1 | 65% | 0.654 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.7 | -40.6 | 173.8 | -109.4 | 98.5 | 0 | 0 | 0 | 112 | Q546 S547 T554 | Q546-L550 PolarHBondContact O-N 3.3Å; S547-L550 PolarHBondContact O-N 3.15Å; L550-T554 VanDerWaalsContact O-CB 3.3Å; L550-T554 WeakPolarHBondContact O-CB 2.99Å; L550-T554 PolarHBondContact O-N 2.72Å; L550-T554 PolarHBondContact O-OG1 3.35Å |
| 551 | F | 38.1 | Very low | 42 | Very low | 146 Ų | 146 | 103 Ų | 103 | 64% | 0.64 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.3 | -44.8 | 177.8 | -161.6 | -97.4 | 0 | 0 | 0 | 111.2 | S547 A548 T554 L555 | S547-F551 WeakPolarHBondContact O-CB 3.47Å; S547-F551 PolarHBondContact O-N 3.1Å; A548-F551 PolarHBondContact O-N 2.78Å; F551-T554 PolarHBondContact O-N 3.07Å; F551-L555 VanDerWaalsContact O-CB 3.31Å; F551-L555 WeakPolarHBondContact O-CB 3.38Å; F551-L555 PolarHBondContact O-N 3.43Å |
| 552 | A | 47.6 | Very low | 42.2 | Very low | 52 Ų | 52 | 101.5 Ų | 101.5 | 43% | 0.43 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.8 | -42.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A548 T554 L555 Q556 | A548-A552 WeakPolarHBondContact O-CB 3.39Å; A548-A552 PolarHBondContact O-N 3.49Å; A552-T554 VanDerWaalsContact C-N 3.35Å; A552-T554 PolarHBondContact O-N 3.19Å; A552-L555 PolarHBondContact O-N 3.32Å; A552-Q556 WeakPolarHBondContact O-CA 3.48Å; A552-Q556 WeakPolarHBondContact O-CB 3.43Å; A552-Q556 PolarHBondContact O-N 2.85Å |
| 553 | H | 49 | Very low | 42.4 | Very low | 126 Ų | 126 | 100.2 Ų | 100.2 | 58% | 0.583 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.9 | -34 | 176.4 | -169.4 | -79.8 | 0 | 0 | 0 | 111.9 | A549 M557 | A549-H553 WeakPolarHBondContact O-CB 3.33Å; A549-H553 PolarHBondContact O-N 2.88Å; H553-M557 VanDerWaalsContact O-CB 3.24Å; H553-M557 WeakPolarHBondContact O-CB 3.11Å; H553-M557 WeakPolarHBondContact O-CG 3.48Å; H553-M557 PolarHBondContact O-N 3.15Å |
| 554 | T | 50.8 | Low | 42.3 | Very low | 86 Ų | 86 | 103.2 Ų | 103.2 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.5 | -46.6 | 173.9 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | L550 F551 A552 Q556 M557 F558 | L550-T554 VanDerWaalsContact O-CB 3.3Å; L550-T554 WeakPolarHBondContact O-CB 2.99Å; L550-T554 PolarHBondContact O-N 2.72Å; L550-T554 PolarHBondContact O-OG1 3.35Å; F551-T554 PolarHBondContact O-N 3.07Å; A552-T554 VanDerWaalsContact C-N 3.35Å; A552-T554 PolarHBondContact O-N 3.19Å; T554-Q556 VanDerWaalsContact C-N 3.32Å; T554-Q556 PolarHBondContact O-N 2.99Å; T554-M557 PolarHBondContact O-N 3.11Å; T554-F558 WeakPolarHBondContact O-CB 3.36Å; T554-F558 PolarHBondContact O-N 3.23Å |
| 555 | L | 51.1 | Low | 42.2 | Very low | 111 Ų | 111 | 104 Ų | 104 | 58% | 0.581 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.3 | -33.7 | 177.6 | -155.3 | 77.6 | 0 | 0 | 0 | 111.9 | F551 A552 F558 A559 | F551-L555 VanDerWaalsContact O-CB 3.31Å; F551-L555 WeakPolarHBondContact O-CB 3.38Å; F551-L555 PolarHBondContact O-N 3.43Å; A552-L555 PolarHBondContact O-N 3.32Å; L555-F558 PolarHBondContact O-N 3.01Å; L555-A559 VanDerWaalsContact O-CB 3.28Å; L555-A559 WeakPolarHBondContact O-CB 3.15Å; L555-A559 PolarHBondContact O-N 3.45Å |
| 556 | Q | 46.1 | Very low | 42.1 | Very low | 145 Ų | 145 | 105.9 Ų | 105.9 | 68% | 0.678 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -80.5 | -27.2 | 176.6 | -166.8 | 158.6 | 17.8 | 0 | 0 | 112.6 | A552 T554 A560 | A552-Q556 WeakPolarHBondContact O-CA 3.48Å; A552-Q556 WeakPolarHBondContact O-CB 3.43Å; A552-Q556 PolarHBondContact O-N 2.85Å; T554-Q556 VanDerWaalsContact C-N 3.32Å; T554-Q556 PolarHBondContact O-N 2.99Å; Q556-A560 WeakPolarHBondContact O-CB 3.14Å; Q556-A560 PolarHBondContact O-N 3.35Å |
| 557 | M | 49.4 | Very low | 41.9 | Very low | 113 Ų | 113 | 103 Ų | 103 | 56% | 0.557 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.4 | -37.9 | 163.7 | -78 | -73.1 | -71.1 | 0 | 0 | 111.4 | H553 T554 A560 A561 | H553-M557 VanDerWaalsContact O-CB 3.24Å; H553-M557 WeakPolarHBondContact O-CB 3.11Å; H553-M557 WeakPolarHBondContact O-CG 3.48Å; H553-M557 PolarHBondContact O-N 3.15Å; T554-M557 PolarHBondContact O-N 3.11Å; M557-A560 PolarHBondContact O-N 2.97Å; M557-A561 WeakPolarHBondContact O-CB 3.29Å; M557-A561 PolarHBondContact O-N 3.15Å |
| 558 | F | 42.7 | Very low | 41.7 | Very low | 159 Ų | 159 | 105.7 Ų | 105.7 | 70% | 0.697 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.8 | -41.9 | 176 | -142.1 | -92.1 | 0 | 0 | 0 | 111.9 | T554 L555 A561 A562 | T554-F558 WeakPolarHBondContact O-CB 3.36Å; T554-F558 PolarHBondContact O-N 3.23Å; L555-F558 PolarHBondContact O-N 3.01Å; F558-A561 WeakPolarHBondContact O-CB 3.26Å; F558-A561 PolarHBondContact O-N 2.99Å; F558-A562 PolarHBondContact O-N 2.59Å |
| 559 | A | 43.9 | Very low | 41.4 | Very low | 55 Ų | 55 | 106.9 Ų | 106.9 | 46% | 0.455 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.3 | -37.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L555 A561 A562 A563 | L555-A559 VanDerWaalsContact O-CB 3.28Å; L555-A559 WeakPolarHBondContact O-CB 3.15Å; L555-A559 PolarHBondContact O-N 3.45Å; A559-A561 VanDerWaalsContact C-N 3.33Å; A559-A562 PolarHBondContact O-N 2.8Å; A559-A563 WeakPolarHBondContact O-CB 3.08Å; A559-A563 PolarHBondContact O-N 2.59Å |
| 560 | A | 39.9 | Very low | 40.8 | Very low | 31 Ų | 31 | 110 Ų | 110 | 26% | 0.256 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -70.9 | -26.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q556 M557 R564 | Q556-A560 WeakPolarHBondContact O-CB 3.14Å; Q556-A560 PolarHBondContact O-N 3.35Å; M557-A560 PolarHBondContact O-N 2.97Å; A560-R564 WeakPolarHBondContact O-CB 3.4Å; A560-R564 VanDerWaalsContact O-CD 3.27Å; A560-R564 WeakPolarHBondContact O-CD 3.47Å; A560-R564 WeakPolarHBondContact O-CG 3.42Å; A560-R564 PolarHBondContact O-N 2.73Å |
| 561 | A | 38.2 | Very low | 40.5 | Very low | 64 Ų | 64 | 113.1 Ų | 113.1 | 53% | 0.529 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -71.9 | -46.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | M557 F558 A559 R564 | M557-A561 WeakPolarHBondContact O-CB 3.29Å; M557-A561 PolarHBondContact O-N 3.15Å; F558-A561 WeakPolarHBondContact O-CB 3.26Å; F558-A561 PolarHBondContact O-N 2.99Å; A559-A561 VanDerWaalsContact C-N 3.33Å; A561-R564 PolarHBondContact O-N 2.69Å |
| 562 | A | 39.8 | Very low | 40.2 | Very low | 77 Ų | 77 | 112.8 Ų | 112.8 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -63.5 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F558 A559 R564 | F558-A562 PolarHBondContact O-N 2.59Å; A559-A562 PolarHBondContact O-N 2.8Å; A562-R564 VanDerWaalsContact C-N 3.3Å; A562-R564 PolarHBondContact O-N 3.43Å |
| 563 | A | 40.3 | Very low | 39.4 | Very low | 73 Ų | 73 | 118.8 Ų | 118.8 | 60% | 0.603 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -78.4 | -6.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A559 | A559-A563 WeakPolarHBondContact O-CB 3.08Å; A559-A563 PolarHBondContact O-N 2.59Å |
| 564 | R | 36.3 | Very low | 38.5 | Very low | 204 Ų | 204 | 120.7 Ų | 120.7 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -92.4 | 1.3 | -179.3 | -88.4 | 176.2 | 174.4 | 158.9 | -1 | 115.4 | A560 A561 A562 | A560-R564 WeakPolarHBondContact O-CB 3.4Å; A560-R564 VanDerWaalsContact O-CD 3.27Å; A560-R564 WeakPolarHBondContact O-CD 3.47Å; A560-R564 WeakPolarHBondContact O-CG 3.42Å; A560-R564 PolarHBondContact O-N 2.73Å; A561-R564 PolarHBondContact O-N 2.69Å; A562-R564 VanDerWaalsContact C-N 3.3Å; A562-R564 PolarHBondContact O-N 3.43Å |
| 565 | N | 36.9 | Very low | 37.6 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -104.6 | 14.7 | 177.4 | -117.1 | -5 | 0 | 0 | 0 | 114.6 | ||
| 566 | M | 35.9 | Very low | 36.7 | Very low | 180 Ų | 180 | 122.9 Ų | 122.9 | 89% | 0.887 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -137 | 108.9 | 163.4 | -72.4 | -164 | -78.5 | 0 | 0 | 109.7 | ||
| 567 | G | 31.7 | Very low | 36 | Very low | 75 Ų | 75 | 119.3 Ų | 119.3 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 144.1 | 99.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 568 | S | 32.4 | Very low | 35.2 | Very low | 132 Ų | 132 | 121 Ų | 121 | 92% | 0.923 | 73% | 0.731 | S | S | * | * | trans | -19.9 | 135.3 | 162.7 | 52.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 569 | G | 32.6 | Very low | 34.8 | Very low | 79 Ų | 79 | 116.8 Ų | 116.8 | 81% | 0.814 | 73% | 0.733 | S | S | * | * | trans | -161.7 | 91.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 570 | T | 32.6 | Very low | 34.3 | Very low | 124 Ų | 124 | 119.3 Ų | 119.3 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | trans | -74.6 | 145.1 | 174.6 | 47.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 571 | H | 35.7 | Very low | 34.1 | Very low | 189 Ų | 189 | 123.3 Ų | 123.3 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | trans | -167.5 | 134.7 | 135.5 | -104.9 | -63 | 0 | 0 | 0 | 112.5 | ||||
| 572 | D | 30.6 | Very low | 33.9 | Very low | 140 Ų | 140 | 125 Ų | 125 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -79 | 156.1 | 178.6 | -59.1 | -91.1 | 0 | 0 | 0 | 114.3 | ||||
| 573 | L | 30.6 | Very low | 33.6 | Very low | 178 Ų | 178 | 127.5 Ų | 127.5 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | -123 | 91.6 | 150 | -96.6 | 172 | 0 | 0 | 0 | 109.6 | ||||
| 574 | H | 31.2 | Very low | 33.3 | Very low | 165 Ų | 165 | 127.5 Ų | 127.5 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -101.5 | 121.3 | -176.2 | -179.4 | -86.5 | 0 | 0 | 0 | 111.1 | ||||
| 575 | V | 31.5 | Very low | 33 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | trans | -123.4 | 99.5 | 180 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 576 | T | 33.2 | Very low | 32.6 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | 25.9 | 129.6 | 148.4 | 63 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 577 | G | 31.4 | Very low | 32.1 | Very low | 70 Ų | 70 | 120.3 Ų | 120.3 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | cis | -164.9 | -159.9 | 4.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 578 | V | 32.4 | Very low | 32.1 | Very low | 148 Ų | 148 | 123.9 Ų | 123.9 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | cis | -156.2 | 131.7 | 22 | 173.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 579 | G | 33.1 | Very low | 31.8 | Very low | 71 Ų | 71 | 122.2 Ų | 122.2 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 70.7 | 165 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 580 | S | 34.5 | Very low | 31.7 | Very low | 108 Ų | 108 | 124 Ų | 124 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | cis | -173.4 | 136.6 | -17.3 | 43.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 581 | S | 34.4 | Very low | 31.6 | Very low | 115 Ų | 115 | 124 Ų | 124 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 59.8 | 152.8 | 170.4 | 45 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 582 | S | 34.1 | Very low | 31.4 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | cis | -174.9 | 137.9 | -20.3 | 50.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 583 | S | 34.7 | Very low | 31.5 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | 61 | 161.8 | 158.9 | -51.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 584 | G | 33.3 | Very low | 31.5 | Very low | 73 Ų | 73 | 120.4 Ų | 120.4 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | cis | -166.8 | 145.9 | -4.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 585 | S | 29.5 | Very low | 31.5 | Very low | 108 Ų | 108 | 119.2 Ų | 119.2 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -52.2 | 151 | 171 | 51.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 586 | V | 28.6 | Very low | 31.5 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | 78 | 124.9 | 135 | 166.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 587 | L | 26.5 | Very low | 31.6 | Very low | 153 Ų | 153 | 123.7 Ų | 123.7 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | trans | 38.4 | 119.2 | 151 | -63.1 | 171 | 0 | 0 | 0 | 121 | ||||
| 588 | N | 30.4 | Very low | 31.9 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | -161.6 | 149.7 | 124.7 | -95.8 | -54.7 | 0 | 0 | 0 | 107.6 | |||||
| 589 | S | 27.7 | Very low | 31.7 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | 49.4 | 120.4 | 80.6 | -129.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 590 | V | 29.6 | Very low | 31.5 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | cis | -144.6 | -168 | 17.3 | -129.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 591 | D | 31.5 | Very low | 31.3 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 66% | 0.658 | 76% | 0.76 | S | S | * | * | cis | -160.9 | -159 | 13.4 | -132.5 | -34.9 | 0 | 0 | 0 | 112.4 | ||||
| 592 | F | 31.5 | Very low | 31.2 | Very low | 172 Ų | 172 | 124.5 Ų | 124.5 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -8.4 | 136.6 | 157.2 | -66.4 | -111.9 | 0 | 0 | 0 | 116.8 | ||||
| 593 | E | 31.5 | Very low | 30.9 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | cis | -162.2 | 177.7 | 3 | -120.6 | -165.7 | 111.6 | 0 | 0 | 107.8 | ||||
| 594 | C | 31.1 | Very low | 30.9 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | cis | -147.6 | -153.2 | 16.9 | -163.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 595 | L | 31.2 | Very low | 30.8 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -85.1 | 153.3 | -169.6 | -72.2 | 162.3 | 0 | 0 | 0 | 117.5 | ||||
| 596 | R | 31.9 | Very low | 31.1 | Very low | 225 Ų | 225 | 131.9 Ų | 131.9 | 85% | 0.849 | 76% | 0.764 | S | S | * | * | trans | 79.7 | 121.5 | 143.7 | -84.1 | -178.2 | -173.3 | 168.8 | 3.9 | 122.7 | ||||
| 597 | P | 34.7 | Very low | 31.3 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -88.5 | -168.8 | 133.7 | 42.3 | -35.9 | 0 | 0 | 0 | 110 | ||||
| 598 | P | 38.1 | Very low | 31.4 | Very low | 114 Ų | 114 | 130 Ų | 130 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -128.5 | 159.7 | -13.8 | 37.8 | -22.4 | 0 | 0 | 0 | 115.6 | ||||
| 599 | G | 28.1 | Very low | 31.8 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 71.4 | -163.5 | 146.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 600 | V | 29.7 | Very low | 31.9 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | 81.8 | 89.1 | 173.3 | -164.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 601 | S | 28.3 | Very low | 32.1 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 80.4 | 163.8 | 134.9 | -56 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 602 | A | 32.1 | Very low | 32.5 | Very low | 91 Ų | 91 | 131.7 Ų | 131.7 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | 74.8 | 111 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 603 | E | 28.1 | Very low | 32.4 | Very low | 199 Ų | 199 | 129.1 Ų | 129.1 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | cis | 59.9 | 76.6 | 30.9 | -66.6 | -160.8 | 135.7 | 0 | 0 | 115.6 | ||||
| 604 | V | 34.4 | Very low | 32.4 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -142.9 | 135.9 | 147.8 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 605 | P | 31.4 | Very low | 32.6 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | trans | -95.2 | -175.2 | -174.5 | 41.6 | -38.9 | 0 | 0 | 0 | 112.7 | ||||
| 606 | P | 36.4 | Very low | 32.6 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -90.1 | 140.6 | -162 | 34.6 | -33.9 | 0 | 0 | 0 | 115.3 | ||||
| 607 | T | 31.9 | Very low | 32.4 | Very low | 146 Ų | 146 | 125.5 Ų | 125.5 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | trans | -153.9 | 158.6 | 161.3 | 19.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 608 | A | 29.9 | Very low | 32.4 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -111.6 | -169.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 609 | P | 38.6 | Very low | 32 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | -102.4 | -165.5 | -54.2 | 39.9 | -29 | 0 | 0 | 0 | 109.5 | |||||
| 610 | I | 29.6 | Very low | 32.4 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | trans | 177.8 | 152.3 | 137.9 | -96.8 | 156.5 | 0 | 0 | 0 | 111.8 | ||||
| 611 | L | 33 | Very low | 32.6 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 64% | 0.644 | 78% | 0.779 | S | S | * | * | trans | -78.7 | 159.4 | 174.4 | -115.9 | 71.3 | 0 | 0 | 0 | 112.5 | D613 | L611-D613 HydrophobicContact CB-CB 4.44Å; L611-D613 HydrophobicContact CD2-CB 4.28Å | ||
| 612 | P | 41.7 | Very low | 32.9 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | -121.7 | 136.5 | 111.5 | -1.1 | 21.3 | 0 | 0 | 0 | 109.6 | |||||
| 613 | D | 29.5 | Very low | 33 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | cis | 49.7 | 90 | 28.4 | -89.5 | -14.8 | 0 | 0 | 0 | 113.9 | L611 | L611-D613 HydrophobicContact CB-CB 4.44Å; L611-D613 HydrophobicContact CD2-CB 4.28Å | ||
| 614 | H | 31.4 | Very low | 33.5 | Very low | 165 Ų | 165 | 129.3 Ų | 129.3 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | 173.8 | 150.6 | 114 | -106 | -78.1 | 0 | 0 | 0 | 114.3 | |||||
| 615 | L | 33.8 | Very low | 33.9 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | 69.1 | 144.8 | 155.5 | -62.6 | 160.4 | 0 | 0 | 0 | 117 | ||||
| 616 | Q | 31.6 | Very low | 34.1 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | cis | -150.8 | 157.7 | -11.8 | -170.4 | 65.4 | -36.6 | 0 | 0 | 110 | ||||
| 617 | A | 27.8 | Very low | 34.1 | Very low | 78 Ų | 78 | 130 Ų | 130 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | trans | -64.6 | 156 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 618 | Y | 34.7 | Very low | 34.3 | Very low | 240 Ų | 240 | 126.8 Ų | 126.8 | 94% | 0.941 | 76% | 0.758 | S | S | * | * | trans | -145.1 | 140.5 | 139.6 | -111.4 | -78.2 | 0 | 0 | 0 | 111.1 | ||||
| 619 | A | 29.7 | Very low | 34.7 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | -105 | 154.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 620 | G | 35.9 | Very low | 34.6 | Very low | 78 Ų | 78 | 131.3 Ų | 131.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -160.2 | 95.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 621 | N | 33.9 | Very low | 35 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -67.3 | 149.5 | -172.4 | -53.9 | -24.5 | 0 | 0 | 0 | 115.3 | ||||
| 622 | S | 35.7 | Very low | 35.5 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | 167.5 | 118.2 | 118.4 | -75.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 623 | C | 33.8 | Very low | 35.3 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | 75.3 | 136.8 | 89.8 | -62.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 624 | V | 38.5 | Very low | 35.9 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | cis | -155.5 | 163.9 | 9 | 110.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 625 | P | 42.6 | Very low | 36.1 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -122.7 | -132.1 | -161 | 45.2 | -31.6 | 0 | 0 | 0 | 116 | ||||
| 626 | V | 36.5 | Very low | 36.4 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | 92.7 | 134.4 | 179.8 | 178.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 627 | N | 36.4 | Very low | 36.8 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | cis | -150.4 | 158 | -5.4 | -120.6 | 14.5 | 0 | 0 | 0 | 110.4 | ||||
| 628 | A | 36.7 | Very low | 37 | Very low | 80 Ų | 80 | 132.6 Ų | 132.6 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | 69.6 | 143.2 | 82.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 629 | V | 36.7 | Very low | 37 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | cis | -140.8 | 163.4 | 33.3 | 175 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 630 | E | 36.8 | Very low | 37.1 | Very low | 171 Ų | 171 | 127.4 Ų | 127.4 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | trans | -77.7 | 174.8 | -168.5 | -52.8 | 150.1 | 121.5 | 0 | 0 | 116.1 | ||||
| 631 | S | 38.4 | Very low | 36.9 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | -171.2 | 168.3 | 70.7 | -96.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 632 | P | 44.1 | Very low | 36.7 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | -138.9 | 167.1 | -141.8 | 43.5 | -27.4 | 0 | 0 | 0 | 121.3 | ||||
| 633 | G | 37.2 | Very low | 36.4 | Very low | 74 Ų | 74 | 134.1 Ų | 134.1 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | trans | 95.3 | 170.2 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 634 | P | 42.5 | Very low | 36.2 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | cis | -136.1 | 147.2 | -4 | 40 | -22.1 | 0 | 0 | 0 | 118.6 | ||||
| 635 | R | 34.9 | Very low | 35.7 | Very low | 226 Ų | 226 | 136.2 Ų | 136.2 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | 17.1 | 142.1 | 144.7 | -56.6 | 178.3 | 178.1 | -173.5 | -2.1 | 123 | ||||
| 636 | H | 40.2 | Very low | 35 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | -169.4 | 165.3 | 107.3 | -105.7 | -76.2 | 0 | 0 | 0 | 111.2 | |||||
| 637 | P | 39.2 | Very low | 34.5 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 61% | 0.61 | 77% | 0.766 | S | S | * | * | -138.9 | 167 | -113.8 | 44 | -26.3 | 0 | 0 | 0 | 120.9 | |||||
| 638 | H | 33.7 | Very low | 34.1 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | 38.3 | 129 | 143.1 | -63.7 | -59 | 0 | 0 | 0 | 123.9 | ||||
| 639 | S | 34.4 | Very low | 33.6 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | 154.9 | 146.5 | 117.2 | 59.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 640 | T | 31.3 | Very low | 33.5 | Very low | 114 Ų | 114 | 138 Ų | 138 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | cis | 168.3 | 128 | -36.3 | 26.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 641 | L | 30.6 | Very low | 33.2 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | 65.3 | 163.8 | 156.9 | -57.2 | 169.4 | 0 | 0 | 0 | 116.6 | ||||
| 642 | D | 31.3 | Very low | 32.7 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -151.5 | -171.2 | 3 | -139.6 | -43.9 | 0 | 0 | 0 | 113.4 | ||||
| 643 | F | 28.5 | Very low | 32.3 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -70.9 | 164.3 | -176.2 | -93.5 | -105.7 | 0 | 0 | 0 | 118.2 | ||||
| 644 | K | 29.7 | Very low | 32.1 | Very low | 202 Ų | 202 | 139.7 Ų | 139.7 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | trans | 102.8 | 155.6 | 159.9 | -66.2 | -179.7 | 178.4 | 174 | 0 | 117.1 | ||||
| 645 | S | 28.9 | Very low | 31.8 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | cis | -178.8 | 117.6 | -27.9 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 646 | M | 27.1 | Very low | 31.8 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 82% | 0.823 | 76% | 0.756 | S | S | * | * | trans | 60.5 | 150.9 | 153 | -62.3 | -158.8 | 80 | 0 | 0 | 123.1 | ||||
| 647 | C | 25.9 | Very low | 31.2 | Very low | 99 Ų | 99 | 132 Ų | 132 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | trans | 71.9 | 114.2 | 149.9 | -73.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 648 | S | 27.2 | Very low | 30.7 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | 45.8 | 131.5 | 117 | -45.3 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 649 | T | 27.1 | Very low | 30.6 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | -165.1 | 161.7 | 67.2 | -62.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 650 | V | 34.5 | Very low | 30.3 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | -60 | 151.8 | 172.8 | -177 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 651 | P | 30.3 | Very low | 30.4 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | trans | -129.4 | 136.1 | 133 | 36.1 | -28.5 | 0 | 0 | 0 | 113.5 | ||||
| 652 | A | 28.8 | Very low | 30.4 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | trans | -94.3 | -178.6 | 153.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 653 | P | 34.3 | Very low | 30.4 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | cis | -128.6 | -158.6 | -5.6 | 34 | -11.9 | 0 | 0 | 0 | 112.5 | ||||
| 654 | F | 33.2 | Very low | 30.6 | Very low | 192 Ų | 192 | 124.8 Ų | 124.8 | 84% | 0.842 | 73% | 0.732 | S | S | * | * | trans | -49.1 | 166.4 | 156.1 | -69.7 | -85.4 | 0 | 0 | 0 | 112.6 | ||||
| 655 | P | 36.3 | Very low | 30.7 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | cis | -133.4 | -130.2 | 21.7 | 30 | -2.1 | 0 | 0 | 0 | 114.1 | ||||
| 656 | P | 35.3 | Very low | 30.8 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | -135.7 | -161.2 | -99.2 | 45.7 | -28.6 | 0 | 0 | 0 | 115.8 | |||||
| 657 | I | 27.4 | Very low | 31 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | trans | 81.9 | 104.9 | 152.7 | -74.5 | 171.1 | 0 | 0 | 0 | 118.2 | ||||
| 658 | S | 29.6 | Very low | 31.7 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | 47.3 | 130.7 | 124 | -43.7 | 0 | 0 | 0 | 0 | 122 | |||||
| 659 | S | 30.1 | Very low | 32 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | -167.8 | 152 | 94.8 | 54.4 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 660 | S | 29.8 | Very low | 32.4 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | cis | -153.6 | 168.9 | 27 | -63.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 661 | I | 31.7 | Very low | 32.4 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | cis | -166.9 | 152.5 | -0.5 | -119.8 | 169.6 | 0 | 0 | 0 | 103.9 | ||||
| 662 | H | 31.3 | Very low | 32.7 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 68% | 0.681 | 72% | 0.72 | S | S | * | * | cis | -156.2 | 179.8 | 5.7 | -107.5 | -38.6 | 0 | 0 | 0 | 104.9 | ||||
| 663 | S | 31.6 | Very low | 32.8 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 57% | 0.566 | 72% | 0.72 | S | S | * | * | cis | -172.7 | 162.9 | -3.3 | -104.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 664 | Q | 32.2 | Very low | 32.6 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 64% | 0.64 | 71% | 0.711 | S | S | * | * | cis | -168.1 | 135 | -17.6 | -115.8 | 169.6 | -42.3 | 0 | 0 | 109.3 | ||||
| 665 | N | 32 | Very low | 32.4 | Very low | 135 Ų | 135 | 127 Ų | 127 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | trans | 70.6 | 164.2 | 152 | -43.9 | -20.3 | 0 | 0 | 0 | 116.9 | ||||
| 666 | I | 31.6 | Very low | 32.2 | Very low | 166 Ų | 166 | 127.4 Ų | 127.4 | 85% | 0.851 | 70% | 0.698 | S | S | * | * | cis | -129.9 | 153.6 | 13.9 | -65.1 | 169.5 | 0 | 0 | 0 | 111.9 | ||||
| 667 | F | 31.5 | Very low | 31.9 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 80% | 0.798 | 70% | 0.699 | S | S | * | * | trans | -98.7 | 170.5 | -177.6 | -110.2 | -86.7 | 0 | 0 | 0 | 111.9 | ||||
| 668 | P | 39.2 | Very low | 32 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | -150.7 | 141.1 | 80 | 39 | -17.8 | 0 | 0 | 0 | 116.6 | |||||
| 669 | Q | 34 | Very low | 32.1 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | 75.7 | 149.7 | 91.1 | -61.3 | -171.1 | -81.1 | 0 | 0 | 116.6 | |||||
| 670 | T | 35.9 | Very low | 32.1 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 65% | 0.65 | 67% | 0.673 | S | S | * | * | cis | -155.4 | -149.9 | -18.2 | 32.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 671 | D | 35 | Very low | 32.2 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 67% | 0.668 | 66% | 0.658 | S | S | * | * | cis | -166.2 | 176.6 | 5.5 | -135.9 | -49.2 | 0 | 0 | 0 | 113.9 | ||||
| 672 | V | 35 | Very low | 32.3 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 71% | 0.709 | 66% | 0.661 | S | S | * | * | trans | 71.9 | 138 | 147.7 | 155.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 673 | I | 32.2 | Very low | 32.3 | Very low | 132 Ų | 132 | 123 Ų | 123 | 68% | 0.677 | 66% | 0.66 | S | S | * | * | cis | -167.6 | 155.6 | -28 | -135.7 | 179.8 | 0 | 0 | 0 | 113.7 | ||||
| 674 | T | 30.1 | Very low | 32.4 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 60% | 0.601 | 67% | 0.669 | S | S | * | * | trans | 66.8 | 132.5 | 151.4 | 52.7 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 675 | Q | 29.3 | Very low | 32.5 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 73% | 0.729 | 67% | 0.672 | S | S | * | * | 73.9 | 151.7 | 128.9 | -67 | -178 | -69.5 | 0 | 0 | 121.4 | |||||
| 676 | E | 31 | Very low | 32.5 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 58% | 0.584 | 67% | 0.67 | S | S | * | * | cis | -152.9 | 151.5 | -7.7 | -125.3 | -163.2 | -147.5 | 0 | 0 | 114.6 | ||||
| 677 | F | 29.8 | Very low | 32.7 | Very low | 151 Ų | 151 | 123 Ų | 123 | 66% | 0.662 | 67% | 0.666 | S | S | * | * | trans | 42 | 155.1 | 132.5 | -80.8 | -145.1 | 0 | 0 | 0 | 122.3 | ||||
| 678 | Q | 29.8 | Very low | 32.7 | Very low | 106 Ų | 106 | 119.2 Ų | 119.2 | 50% | 0.495 | 66% | 0.662 | S | S | . | * | cis | -173 | 163.9 | -15.7 | -120.2 | -171.9 | 19.6 | 0 | 0 | 110.7 | ||||
| 679 | R | 30.9 | Very low | 32.7 | Very low | 186 Ų | 186 | 119.2 Ų | 119.2 | 70% | 0.702 | 66% | 0.662 | S | S | * | * | trans | 67.9 | 161.3 | 153.6 | -73.3 | 172.6 | 172.7 | 127.2 | -8.3 | 120.6 | N297 | N297-R679 PolarHBondContact ND2-O 2.78Š| ||
| 680 | A | 30.7 | Very low | 32.6 | Very low | 64 Ų | 64 | 118.3 Ų | 118.3 | 53% | 0.529 | 66% | 0.662 | S | S | . | * | cis | -176.3 | 135 | -38.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D296 | D296-A680 PolarHBondContact OD2-N 3.38Š| ||
| 681 | G | 31.9 | Very low | 32.4 | Very low | 41 Ų | 41 | 119.9 Ų | 119.9 | 42% | 0.423 | 67% | 0.667 | S | S | . | * | trans | 91.8 | 172.9 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 682 | L | 32.4 | Very low | 32.2 | Very low | 142 Ų | 142 | 118.2 Ų | 118.2 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | cis | -162.4 | 130.4 | -6.1 | -119.9 | 177.5 | 0 | 0 | 0 | 113.6 | Y684 | L682-Y684 HydrophobicContact CD2-CE2 4.21Š| ||
| 683 | G | 32.7 | Very low | 31.9 | Very low | 65 Ų | 65 | 121.7 Ų | 121.7 | 67% | 0.67 | 68% | 0.676 | S | S | * | * | trans | 73.3 | -178.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 684 | Y | 33.9 | Very low | 32 | Very low | 192 Ų | 192 | 118.5 Ų | 118.5 | 75% | 0.753 | 68% | 0.675 | S | S | * | * | cis | -168.1 | 147 | 0.5 | -92.4 | -55.6 | 0 | 0 | 0 | 108.1 | L682 | L682-Y684 HydrophobicContact CD2-CE2 4.21Š| ||
| 685 | T | 33.5 | Very low | 32 | Very low | 113 Ų | 113 | 120 Ų | 120 | 69% | 0.693 | 68% | 0.679 | S | S | * | * | cis | -159.2 | 155.2 | -11.2 | -32 | 0 | 0 | 0 | 0 | 109 | L687 | T685-L687 HydrophobicContact CG2-CD1 4.21Å; T685-L687 HydrophobicContact CG2-CG 4.17Å | ||
| 686 | G | 33 | Very low | 32 | Very low | 66 Ų | 66 | 121.7 Ų | 121.7 | 68% | 0.68 | 68% | 0.679 | S | S | * | * | trans | 153.7 | 76.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 687 | L | 34.2 | Very low | 31.9 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 78% | 0.775 | 69% | 0.686 | S | S | * | * | 62.6 | 131.6 | 75.9 | -54.2 | 174.2 | 0 | 0 | 0 | 113.5 | T685 | T685-L687 HydrophobicContact CG2-CD1 4.21Å; T685-L687 HydrophobicContact CG2-CG 4.17Å | |||
| 688 | S | 31.6 | Very low | 32 | Very low | 103 Ų | 103 | 121.2 Ų | 121.2 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | cis | -163.3 | 170.3 | -5.9 | -107.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 689 | P | 40.7 | Very low | 32 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | trans | -126.3 | -141.9 | -154.4 | 35.4 | -14 | 0 | 0 | 0 | 113.7 | ||||
| 690 | L | 30.4 | Very low | 32.2 | Very low | 139 Ų | 139 | 116.9 Ų | 116.9 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | trans | 77.7 | 101.9 | 160.4 | -70.3 | 157.5 | 0 | 0 | 0 | 119.5 | ||||
| 691 | N | 32.3 | Very low | 32.3 | Very low | 140 Ų | 140 | 115.9 Ų | 115.9 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | 165.8 | 142.7 | 98.1 | -84 | -46.3 | 0 | 0 | 0 | 110.1 | |||||
| 692 | S | 30.1 | Very low | 32.2 | Very low | 90 Ų | 90 | 120 Ų | 120 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | cis | 100.1 | 136.1 | 28.6 | -168.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 693 | M | 30 | Very low | 32.1 | Very low | 190 Ų | 190 | 118.6 Ų | 118.6 | 94% | 0.936 | 68% | 0.676 | S | S | * | * | trans | 66.2 | 147.9 | -177.1 | -46.4 | -174.7 | -170.2 | 0 | 0 | 115.1 | ||||
| 694 | G | 33.1 | Very low | 31.9 | Very low | 64 Ų | 64 | 125.4 Ų | 125.4 | 66% | 0.66 | 69% | 0.688 | S | S | * | * | cis | -150.1 | 142.7 | -9.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 695 | D | 30.8 | Very low | 31.6 | Very low | 129 Ų | 129 | 120.1 Ų | 120.1 | 69% | 0.69 | 68% | 0.684 | S | S | * | * | 84 | 146.6 | 75.5 | -172.4 | 32.2 | 0 | 0 | 0 | 112.4 | |||||
| 696 | R | 29.5 | Very low | 31.8 | Very low | 193 Ų | 193 | 121.5 Ų | 121.5 | 73% | 0.728 | 68% | 0.676 | S | S | * | * | trans | 86 | 111.4 | 167.7 | -48.1 | -157.9 | 174.3 | -141.2 | -14.7 | 118.2 | ||||
| 697 | L | 29.3 | Very low | 31.8 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 73% | 0.728 | 68% | 0.678 | S | S | * | * | 89.2 | 136.9 | 91.2 | -69.2 | -171.4 | 0 | 0 | 0 | 111.5 | |||||
| 698 | L | 31.2 | Very low | 31.7 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 66% | 0.66 | 67% | 0.672 | S | S | * | * | cis | -156.8 | 137.1 | 12.6 | -116.3 | 159.1 | 0 | 0 | 0 | 114.2 | ||||
| 699 | R | 29.3 | Very low | 31.7 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 40% | 0.4 | 66% | 0.661 | S | S | . | * | trans | 56.3 | 126.8 | 146.7 | -104.5 | 175.3 | -179.7 | -169.1 | 5.6 | 123.1 | K1511 N1512 D1514 | R699-K1511 WeakPolarHBondContact O-CE 3.5Å; R699-K1511 PolarHBondContact O-NZ 3.42Å; R699-N1512 VanDerWaalsContact CD-OD1 3.28Å; R699-N1512 WeakPolarHBondContact CD-OD1 3.48Å; R699-N1512 WeakPolarHBondContact CG-OD1 3.45Å; R699-N1512 PolarHBondContact NE-OD1 2.77Å; R699-D1514 IonicContact CZ-OD1 3.7Å; R699-D1514 IonicContact CZ-OD2 3.22Å; R699-D1514 IonicContact NH1-OD1 3.89Å; R699-D1514 IonicContact NH1-OD2 2.71Å; R699-D1514 PolarHBondContact NH1-OD2 3.38Å; R699-D1514 IonicContact NH2-OD1 2.71Å; R699-D1514 PolarHBondContact NH2-OD1 3.14Å; R699-D1514 IonicContact NH2-OD2 2.83Å; R699-D1514 PolarHBondContact NH2-OD2 2.78Å | ||
| 700 | P | 35.5 | Very low | 31.5 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 62% | 0.623 | 67% | 0.668 | S | S | * | * | trans | -88.7 | -179.7 | 173.7 | 40.3 | -38 | 0 | 0 | 0 | 113 | K1511 N1512 | P700-K1511 WeakPolarHBondContact O-CG 3.45Å; P700-N1512 PolarHBondContact O-ND2 2.87Å | ||
| 701 | S | 32.7 | Very low | 31.5 | Very low | 43 Ų | 43 | 122.2 Ų | 122.2 | 30% | 0.301 | 67% | 0.673 | S | S | . | * | trans | 170 | 157.7 | 134.8 | -75.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 702 | N | 30.4 | Very low | 31.4 | Very low | 127 Ų | 127 | 121.1 Ų | 121.1 | 68% | 0.679 | 68% | 0.676 | S | S | * | * | trans | -4.1 | 146.6 | 154.1 | -45.1 | -5.4 | 0 | 0 | 0 | 118 | N1510 | N702-N1510 WeakPolarHBondContact O-CA 3.34Å; N702-N1510 PolarHBondContact O-N 2.78Å; N702-N1510 VanDerWaalsContact O-N 3.14Å | ||
| 703 | T | 29.1 | Very low | 31.3 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 69% | 0.693 | 68% | 0.676 | S | S | * | * | cis | -153 | 170.9 | 31.9 | -42.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 704 | F | 29.2 | Very low | 31.2 | Very low | 207 Ų | 207 | 119 Ų | 119 | 91% | 0.908 | 67% | 0.668 | S | S | * | * | trans | -30.5 | 136.2 | 174.2 | -80.7 | -104.2 | 0 | 0 | 0 | 118.2 | ||||
| 705 | A | 27 | Very low | 31 | Very low | 82 Ų | 82 | 127 Ų | 127 | 68% | 0.678 | 68% | 0.679 | S | S | * | * | trans | -154.6 | 156.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 706 | R | 38.6 | Very low | 30.9 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 53% | 0.532 | 69% | 0.687 | S | S | . | * | trans | -144.9 | 112.8 | -172.7 | -165.7 | -165.1 | 163.2 | -151.5 | -6.2 | 108.5 | G394 G395 C396 S397 | G394-R706 PolarHBondContact O-NH1 2.85Å; G395-R706 CarbonylContact C-O 3.58Å; C396-R706 VanDerWaalsContact CA-CZ 3.49Å; C396-R706 VanDerWaalsContact CA-NE 3.33Å; C396-R706 PolarHBondContact N-O 3.05Å; C396-R706 CarbonylContact O-C 3.6Å; C396-R706 WeakPolarHBondContact O-CG 3.36Å; S397-R706 PolarHBondContact OG-NH2 2.9Å | ||
| 707 | P | 33.3 | Very low | 31.2 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 71% | 0.714 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -92 | 117.5 | -167.5 | 34.2 | -34.3 | 0 | 0 | 0 | 117.1 | C396 | C396-P707 CarbonylContact C-O 3.34Å; C396-P707 CarbonylContact O-C 3.56Å; C396-P707 WeakPolarHBondContact O-CA 3.06Å; C396-P707 WeakPolarHBondContact O-CD 3.31Å |
| 708 | T | 31.8 | Very low | 31 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 64% | 0.644 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 158.6 | -172.5 | 37.8 | 0 | 0 | 0 | 0 | 119.2 | C396 | C396-T708 HydrophobicContact CB-CG2 4.22Š|
| 709 | P | 32 | Very low | 30.9 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 50% | 0.5 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -82.4 | 150.8 | 174.5 | 36.2 | -36.3 | 0 | 0 | 0 | 112.5 | ||
| 710 | P | 36.5 | Very low | 31.1 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 84% | 0.844 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 142.8 | 169.4 | 34.3 | -31.9 | 0 | 0 | 0 | 112.6 | ||
| 711 | L | 30 | Very low | 30.8 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | trans | -125.1 | 142.8 | 178.3 | -96.8 | 169.4 | 0 | 0 | 0 | 111.4 | ||||
| 712 | S | 30.2 | Very low | 30.5 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | 65.1 | 159.5 | 170.8 | 80.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 713 | S | 28.4 | Very low | 30.7 | Very low | 90 Ų | 90 | 135 Ų | 135 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | cis | -159.8 | 147 | 19.5 | -163.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 714 | N | 27.3 | Very low | 30.7 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | 63.2 | 134.8 | 150.2 | -74.9 | -27.2 | 0 | 0 | 0 | 124.6 | ||||
| 715 | R | 29.4 | Very low | 30.8 | Very low | 232 Ų | 232 | 132.7 Ų | 132.7 | 88% | 0.875 | 74% | 0.743 | S | S | * | * | trans | 72.9 | 108.9 | 152 | -73.1 | -177.7 | 169.9 | -173.1 | -3.1 | 121.4 | ||||
| 716 | M | 28.8 | Very low | 30.9 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | 33.4 | 151.2 | 120.2 | -74.8 | -178.5 | 77.5 | 0 | 0 | 122 | |||||
| 717 | P | 35.5 | Very low | 30.5 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | cis | -135.1 | -167.4 | -3.6 | 41.1 | -22.2 | 0 | 0 | 0 | 114.5 | ||||
| 718 | Y | 25.2 | Very low | 30.4 | Very low | 213 Ų | 213 | 134.1 Ų | 134.1 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | 11.2 | 122.5 | 147.9 | -92.5 | -96.1 | 0 | 0 | 0 | 119.6 | ||||
| 719 | I | 29 | Very low | 31.1 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | 170.9 | 139.5 | 118 | -90.8 | 156.9 | 0 | 0 | 0 | 110.6 | V721 | I719-V721 HydrophobicContact CG2-CG2 3.57Š| |||
| 720 | P | 33.3 | Very low | 31.5 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -90.2 | 134.9 | 167.7 | 34.6 | -30.6 | 0 | 0 | 0 | 111.7 | ||||
| 721 | V | 28.3 | Very low | 31.4 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -142.9 | 130.7 | 168.2 | -147.6 | 0 | 0 | 0 | 0 | 112.1 | I719 | I719-V721 HydrophobicContact CG2-CG2 3.57Š| ||
| 722 | S | 28.4 | Very low | 31.7 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | trans | -76.6 | 147 | 163.1 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 723 | V | 33.1 | Very low | 32.1 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | trans | -76 | 133.3 | 166.3 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 724 | T | 29.3 | Very low | 32.4 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | trans | -118.4 | 139.9 | -171.1 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 725 | D | 32.2 | Very low | 32.6 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -157.9 | 139.6 | 164.8 | -147.9 | -11.5 | 0 | 0 | 0 | 109.9 | ||||
| 726 | S | 28.7 | Very low | 32.8 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 57% | 0.573 | 76% | 0.762 | S | S | * | * | -148.6 | 170.8 | -53.5 | 53.1 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 727 | Q | 30.2 | Very low | 32.9 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 80.9 | 120.4 | 162.4 | -55.7 | 178.2 | 58 | 0 | 0 | 121.3 | ||||
| 728 | S | 31.8 | Very low | 32.8 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 66.5 | 126.3 | 143.5 | 59.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 729 | P | 45.3 | Very low | 33.9 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -95.3 | 168 | 160.8 | 39.1 | -33.9 | 0 | 0 | 0 | 112.4 | ||||
| 730 | P | 39.9 | Very low | 34.1 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | -154.7 | 150 | 108.8 | 37 | -18.5 | 0 | 0 | 0 | 119 | |||||
| 731 | R | 34.3 | Very low | 34.2 | Very low | 229 Ų | 229 | 134.2 Ų | 134.2 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | 63.4 | 104.7 | 136.9 | -65.9 | 171.9 | -175.3 | -107.3 | -0.3 | 122.3 | ||||
| 732 | T | 37.9 | Very low | 34.4 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | -15 | 155.9 | 121.4 | 34.4 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 733 | P | 38.1 | Very low | 34.7 | Very low | 107 Ų | 107 | 136 Ų | 136 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | -159.8 | 171 | 63.2 | 43.9 | -22.2 | 0 | 0 | 0 | 122.2 | |||||
| 734 | T | 34.6 | Very low | 35 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | 63 | 120 | 151.8 | 43.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 735 | T | 31.6 | Very low | 35.6 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | 80.7 | 122 | 52.1 | -56.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 736 | I | 33.1 | Very low | 35.9 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | -179.7 | 114.8 | 125.6 | -92.4 | 165.8 | 0 | 0 | 0 | 111.9 | |||||
| 737 | I | 32 | Very low | 36.4 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | 26.6 | 133 | 135 | -46.9 | 165.6 | 0 | 0 | 0 | 119.8 | ||||
| 738 | G | 33 | Very low | 36.9 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | 166.2 | 112.6 | 145.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 739 | P | 47 | Very low | 37 | Very low | 109 Ų | 109 | 138 Ų | 138 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -129.5 | 162.9 | -162.1 | 42.7 | -30.2 | 0 | 0 | 0 | 118.1 | ||||
| 740 | R | 33.3 | Very low | 36.7 | Very low | 233 Ų | 233 | 137.2 Ų | 137.2 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | 66 | 142.2 | 162.8 | -66.4 | 175.6 | 173.4 | -179.3 | -2.6 | 115.5 | ||||
| 741 | I | 36.3 | Very low | 36.2 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 80% | 0.795 | 77% | 0.768 | S | S | * | * | -160.9 | 122.5 | 77.7 | -87.2 | 164.2 | 0 | 0 | 0 | 111.6 | |||||
| 742 | S | 32 | Very low | 36 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | trans | 38 | 153.2 | 131.1 | -41.4 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 743 | M | 35.6 | Very low | 35.6 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 82% | 0.823 | 76% | 0.757 | S | S | * | * | trans | 103.3 | 142.1 | 153.5 | -63.5 | -61.2 | 123.3 | 0 | 0 | 118.1 | ||||
| 744 | P | 38.4 | Very low | 35.4 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | trans | -137.2 | -141.4 | -130.4 | 47.8 | -26 | 0 | 0 | 0 | 113.2 | ||||
| 745 | P | 41.2 | Very low | 35.2 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | trans | -112.2 | 152.6 | -137.4 | 32.8 | -12.1 | 0 | 0 | 0 | 116.5 | ||||
| 746 | V | 39.6 | Very low | 35.5 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -143.5 | 131 | 173.6 | -175.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 747 | P | 40 | Very low | 35.3 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -109.7 | -172.2 | 171.2 | 41.9 | -34.2 | 0 | 0 | 0 | 112 | ||||
| 748 | P | 40.7 | Very low | 35.5 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | cis | -127.7 | -153 | -36.4 | 35.9 | -16.4 | 0 | 0 | 0 | 111.9 | ||||
| 749 | R | 32.2 | Very low | 35.5 | Very low | 235 Ų | 235 | 137.7 Ų | 137.7 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | 87 | 166.8 | 160.2 | -102.3 | -160 | 169.8 | -164.4 | -0.9 | 117.5 | ||||
| 750 | P | 39.1 | Very low | 34.8 | Very low | 104 Ų | 104 | 138 Ų | 138 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | trans | -132.9 | -152.5 | -130.4 | 41.9 | -19.9 | 0 | 0 | 0 | 114.6 | ||||
| 751 | Q | 30.8 | Very low | 34.9 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | 82.5 | 155.8 | 177.4 | -56.9 | -168.1 | -10.6 | 0 | 0 | 114.7 | ||||
| 752 | I | 29.5 | Very low | 35 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | cis | -160.6 | 143.3 | -15.2 | -110.8 | 168.3 | 0 | 0 | 0 | 109 | ||||
| 753 | A | 29.8 | Very low | 35.3 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 46.2 | -173.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 754 | T | 32.8 | Very low | 35.3 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | cis | -159.4 | 148.3 | 9.6 | -19.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 755 | S | 31.3 | Very low | 35.5 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | 58.1 | 166.3 | 152.7 | -53.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 756 | T | 37.9 | Very low | 35.3 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | cis | -153.3 | 124.6 | 18.4 | -41.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 757 | M | 28.1 | Very low | 35.5 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | 67.8 | 111.8 | 71 | -88.7 | -74.1 | -74.8 | 0 | 0 | 117.3 | |||||
| 758 | Y | 36.5 | Very low | 35.2 | Very low | 218 Ų | 218 | 135.8 Ų | 135.8 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | 177.7 | 111.5 | 150.9 | -79.9 | -59.2 | 0 | 0 | 0 | 106.9 | ||||
| 759 | T | 34.1 | Very low | 34.7 | Very low | 100 Ų | 100 | 135 Ų | 135 | 61% | 0.613 | 75% | 0.748 | S | S | * | * | 64 | 134.2 | 68.1 | 65.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 760 | C | 30.7 | Very low | 34.8 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | cis | -161.7 | -159.5 | -6 | -97.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 761 | Q | 36.5 | Very low | 34.3 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | cis | -166.2 | -178.7 | 11 | -147.2 | 177.4 | -18.7 | 0 | 0 | 111.7 | ||||
| 762 | N | 37.7 | Very low | 34.4 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 59% | 0.588 | 76% | 0.76 | S | S | * | * | trans | 79 | 101.5 | 152.4 | -69.5 | -3.5 | 0 | 0 | 0 | 124.2 | ||||
| 763 | N | 37.8 | Very low | 34.6 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | 78.7 | 132 | 126.5 | -53.5 | -12.1 | 0 | 0 | 0 | 122.3 | |||||
| 764 | G | 36.7 | Very low | 34.8 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -121.6 | -134 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 765 | P | 43.4 | Very low | 34.6 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | cis | -148.3 | -176.4 | 5.4 | 45.4 | -25.9 | 0 | 0 | 0 | 118.3 | ||||
| 766 | L | 37 | Very low | 34.7 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | 75.3 | 162 | 160.4 | -56.7 | -177 | 0 | 0 | 0 | 119 | ||||
| 767 | P | 42.8 | Very low | 34.5 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | -141.6 | 163.6 | -70.6 | 40.1 | -22.5 | 0 | 0 | 0 | 115.9 | |||||
| 768 | F | 33 | Very low | 34.6 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | 175.5 | 156.6 | 124.7 | -111.6 | -82.8 | 0 | 0 | 0 | 113.7 | |||||
| 769 | S | 31 | Very low | 34.2 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 60.9 | 78.5 | 156.7 | -60.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 770 | S | 34.1 | Very low | 34.1 | Very low | 128 Ų | 128 | 144 Ų | 144 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -166.8 | 142.6 | 135.3 | -85.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 771 | M | 30 | Very low | 34.6 | Very low | 185 Ų | 185 | 143.8 Ų | 143.8 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -114 | 129 | -174.6 | -93 | -71.1 | 177.5 | 0 | 0 | 112.6 | ||||
| 772 | H | 30.9 | Very low | 34.4 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | -155.8 | 101.3 | 174.5 | -119.2 | 57.1 | 0 | 0 | 0 | 114.8 | ||||
| 773 | T | 35.7 | Very low | 34 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | 66.7 | 160.4 | 160.1 | 77.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 774 | P | 33 | Very low | 33.5 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | -142.1 | 171.5 | 84.6 | 38.3 | -21.6 | 0 | 0 | 0 | 116.8 | |||||
| 775 | R | 29.3 | Very low | 33.5 | Very low | 227 Ų | 227 | 146.4 Ų | 146.4 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -58 | 158.4 | -178.2 | -55.2 | 159.7 | 173.6 | 162.5 | -3.9 | 115.8 | ||||
| 776 | F | 31.7 | Very low | 32.8 | Very low | 207 Ų | 207 | 148.1 Ų | 148.1 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | -161.6 | 174.6 | 124.3 | -98.3 | -52.1 | 0 | 0 | 0 | 110.8 | |||||
| 777 | P | 35 | Very low | 32.6 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | -106.5 | 174.1 | -127 | 42 | -38.2 | 0 | 0 | 0 | 118.5 | |||||
| 778 | S | 29.4 | Very low | 31.9 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -86.6 | 147.3 | -168.2 | -18.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 779 | R | 28.7 | Very low | 31.6 | Very low | 254 Ų | 254 | 147.1 Ų | 147.1 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | -177.5 | 141.5 | 126.4 | -103 | 173.6 | 176.5 | -165.2 | -2.3 | 112.2 | |||||
| 780 | G | 32.6 | Very low | 31.4 | Very low | 69 Ų | 69 | 148.1 Ų | 148.1 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -106.4 | -142.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 781 | P | 40.9 | Very low | 31.2 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | cis | -142.1 | -171.5 | -5.8 | 44.3 | -26.6 | 0 | 0 | 0 | 115 | ||||
| 782 | T | 31.8 | Very low | 31.5 | Very low | 137 Ų | 137 | 149 Ų | 149 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | 64.6 | 165.1 | 160.5 | 60.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 783 | S | 29.6 | Very low | 31.6 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | cis | -146.4 | 155.8 | 6.3 | 53.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 784 | F | 27.9 | Very low | 31.5 | Very low | 194 Ų | 194 | 145.4 Ų | 145.4 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 159.2 | 162.9 | -70.8 | -111.5 | 0 | 0 | 0 | 112 | ||
| 785 | P | 35.1 | Very low | 31.6 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 134.3 | 145.5 | 33.6 | -28.1 | 0 | 0 | 0 | 110.3 | ||
| 786 | Q | 29.5 | Very low | 31.9 | Very low | 152 Ų | 152 | 141 Ų | 141 | 71% | 0.71 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 144.6 | 163.4 | -71 | -174.2 | -85 | 0 | 0 | 110.2 | ||
| 787 | L | 33.2 | Very low | 32 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 95% | 0.953 | 77% | 0.771 | S | S | * | * | trans | -110.9 | 148.2 | 138.2 | -72.3 | 177 | 0 | 0 | 0 | 108 | ||||
| 788 | N | 27.1 | Very low | 32 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | trans | -141.1 | 133.5 | -148 | -164.6 | 30.1 | 0 | 0 | 0 | 111.4 | ||||
| 789 | L | 27.8 | Very low | 32.3 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 53.7 | 122.2 | 165.7 | -62 | 162.1 | 0 | 0 | 0 | 116.7 | ||||
| 790 | T | 27 | Very low | 32.5 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | -168.9 | 148.1 | 86.3 | 18.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 791 | L | 28.2 | Very low | 32.5 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | 44.5 | 95.3 | 161.8 | -76.7 | 74.2 | 0 | 0 | 0 | 118.2 | ||||
| 792 | M | 36.3 | Very low | 31.9 | Very low | 172 Ų | 172 | 139 Ų | 139 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 150.7 | 138.4 | -70.2 | -163.6 | 78 | 0 | 0 | 109.4 | ||
| 793 | P | 33.2 | Very low | 31.7 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 152.5 | 172.7 | 28.6 | -35.1 | 0 | 0 | 0 | 111.1 | ||
| 794 | P | 33.3 | Very low | 31.6 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 148.3 | 173.7 | 28.8 | -34.9 | 0 | 0 | 0 | 110.4 | L796 | P794-L796 PolarHBondContact O-N 2.73Š|
| 795 | P | 35.1 | Very low | 31.6 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 128.2 | 172.8 | 26.9 | -33.6 | 0 | 0 | 0 | 109.3 | ||
| 796 | L | 37.2 | Very low | 31.4 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 133.4 | 170 | -70.7 | 172.9 | 0 | 0 | 0 | 108.6 | P794 | P794-L796 PolarHBondContact O-N 2.73Š|
| 797 | P | 32.5 | Very low | 31.4 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 59% | 0.591 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 150.7 | 176.1 | 28.5 | -34.8 | 0 | 0 | 0 | 109.7 | Y799 | P797-Y799 PolarHBondContact O-N 3.07Š|
| 798 | P | 36.6 | Very low | 31.4 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -60.5 | 113 | 167.7 | 26.9 | -32.6 | 0 | 0 | 0 | 107.9 | ||||
| 799 | Y | 34.7 | Very low | 31.9 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | -58.8 | 126.6 | 177.1 | -90.9 | -98.7 | 0 | 0 | 0 | 108.9 | P797 H801 | P797-Y799 PolarHBondContact O-N 3.07Å; Y799-H801 PolarHBondContact O-N 3.29Å | ||
| 800 | P | 32.2 | Very low | 32.1 | Very low | 99 Ų | 99 | 137 Ų | 137 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | trans | -61.8 | 133.1 | 173.8 | 26.7 | -33.2 | 0 | 0 | 0 | 108.8 | H802 | P800-H802 VanDerWaalsContact C-N 3.32Å; P800-H802 PolarHBondContact O-N 2.94Å | ||
| 801 | H | 32.8 | Very low | 32.5 | Very low | 179 Ų | 179 | 136 Ų | 136 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | trans | -67 | 85 | -175 | -72.8 | -71.9 | 0 | 0 | 0 | 112.2 | Y799 | Y799-H801 PolarHBondContact O-N 3.29Š| ||
| 802 | H | 28.4 | Very low | 32.8 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | -77.7 | 134.3 | 155.8 | -75.4 | -67.4 | 0 | 0 | 0 | 109.4 | P800 H804 | P800-H802 VanDerWaalsContact C-N 3.32Å; P800-H802 PolarHBondContact O-N 2.94Å; H802-H804 VanDerWaalsContact C-N 3.26Å; H802-H804 PolarHBondContact O-N 3.18Å | ||
| 803 | I | 28.5 | Very low | 32.5 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | -74.6 | 81.6 | -178.1 | -55.1 | 171.1 | 0 | 0 | 0 | 108.4 | Q805 | I803-Q805 VanDerWaalsContact C-N 3.31Å; I803-Q805 PolarHBondContact O-N 3.29Å | ||
| 804 | H | 27.8 | Very low | 32.5 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | trans | -74.1 | 90.6 | 167.5 | -84.8 | -59.7 | 0 | 0 | 0 | 109.6 | H802 | H802-H804 VanDerWaalsContact C-N 3.26Å; H802-H804 PolarHBondContact O-N 3.18Å | ||
| 805 | Q | 28 | Very low | 32.7 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 141 | 138.1 | -67.8 | 178 | -25.7 | 0 | 0 | 108 | I803 | I803-Q805 VanDerWaalsContact C-N 3.31Å; I803-Q805 PolarHBondContact O-N 3.29Å |
| 806 | P | 29.3 | Very low | 32.6 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 137.2 | 167 | 26.1 | -33.3 | 0 | 0 | 0 | 108.1 | ||
| 807 | P | 31 | Very low | 32.4 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 147.7 | 175.8 | 25.8 | -34 | 0 | 0 | 0 | 109.3 | V809 | P807-V809 PolarHBondContact O-N 3.43Š|
| 808 | P | 33.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 128.2 | 174.8 | 24.6 | -33.8 | 0 | 0 | 0 | 108.5 | L810 | P808-L810 PolarHBondContact O-N 2.94Š|
| 809 | V | 36.1 | Very low | 31.9 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | trans | -66.5 | 95.7 | -172.1 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | P807 | P807-V809 PolarHBondContact O-N 3.43Š| ||
| 810 | L | 32.4 | Very low | 31.9 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 138.9 | 171.1 | -68.2 | 171.9 | 0 | 0 | 0 | 108.8 | P808 | P808-L810 PolarHBondContact O-N 2.94Š|
| 811 | P | 36.4 | Very low | 31.7 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 148.9 | 174.9 | 27.4 | -34.4 | 0 | 0 | 0 | 110.5 | ||
| 812 | P | 34 | Very low | 31.5 | Very low | 101 Ų | 101 | 130 Ų | 130 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 142.8 | -174.8 | 25.1 | -34.6 | 0 | 0 | 0 | 111.9 | G814 | P812-G814 PolarHBondContact O-N 3.48Š|
| 813 | P | 29.5 | Very low | 31.6 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 102.3 | -179.8 | 26.5 | -33.9 | 0 | 0 | 0 | 110.6 | ||
| 814 | G | 34.3 | Very low | 31.8 | Very low | 71 Ų | 71 | 130.9 Ų | 130.9 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.6 | -28.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P812 | P812-G814 PolarHBondContact O-N 3.48Š|
| 815 | F | 36.2 | Very low | 32.1 | Very low | 194 Ų | 194 | 128.3 Ų | 128.3 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | trans | -102 | 94.1 | 169.4 | -80.3 | -98.6 | 0 | 0 | 0 | 110.8 | ||||
| 816 | L | 33.9 | Very low | 32.3 | Very low | 164 Ų | 164 | 124.4 Ų | 124.4 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | trans | -119 | 118.9 | 163.4 | -76.7 | 176.4 | 0 | 0 | 0 | 109.1 | ||||
| 817 | P | 31.5 | Very low | 32.3 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -71.3 | 138.8 | 169 | 30.2 | -32.9 | 0 | 0 | 0 | 110 | A819 | P817-A819 PolarHBondContact O-N 3.35Å; P817-A819 VanDerWaalsContact O-N 3.16Å | ||
| 818 | S | 31.1 | Very low | 32.5 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -64.7 | 113.8 | 175.9 | -71.1 | 0 | 0 | 0 | 0 | 111.3 | H820 | S818-H820 PolarHBondContact O-N 3.24Š| ||
| 819 | A | 29.3 | Very low | 32.4 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | -72.4 | 86.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P817 S821 | P817-A819 PolarHBondContact O-N 3.35Å; P817-A819 VanDerWaalsContact O-N 3.16Å; A819-S821 PolarHBondContact O-N 2.92Å | ||
| 820 | H | 33.5 | Very low | 32.4 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 52% | 0.519 | 76% | 0.763 | S | S | . | * | trans | -78.5 | 108.1 | 171.4 | -91.6 | -57.9 | 0 | 0 | 0 | 110.9 | Y443 G444 S818 Y822 | Y443-H820 PolarHBondContact O-CD2 3.41Å; G444-H820 PolarHBondContact N-NE2 3.22Å; S818-H820 PolarHBondContact O-N 3.24Å; H820-Y822 PolarHBondContact O-N 2.83Å; H820-Y822 VanDerWaalsContact O-N 3.14Å | ||
| 821 | S | 28.4 | Very low | 32.6 | Very low | 122 Ų | 122 | 124 Ų | 124 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -65.2 | 106.5 | 178 | -55.6 | 0 | 0 | 0 | 0 | 112.6 | A819 | A819-S821 PolarHBondContact O-N 2.92Š| ||
| 822 | Y | 28.5 | Very low | 32.5 | Very low | 166 Ų | 166 | 122.8 Ų | 122.8 | 65% | 0.651 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 120.8 | 161.5 | -98.7 | -88.8 | 0 | 0 | 0 | 111.4 | V441 H820 | V441-Y822 HydrophobicContact CG1-CE2 4.13Å; H820-Y822 PolarHBondContact O-N 2.83Å; H820-Y822 VanDerWaalsContact O-N 3.14Å |
| 823 | R | 30.2 | Very low | 32.8 | Very low | 231 Ų | 231 | 124 Ų | 124 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 121.1 | 179.9 | 177 | -169.6 | -172.6 | -161.5 | 5.3 | 109.7 | ||
| 824 | P | 33.5 | Very low | 33 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 132 | 172.3 | 27.2 | -32.9 | 0 | 0 | 0 | 110.1 | ||
| 825 | P | 34.1 | Very low | 32.9 | Very low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 129.6 | 169.2 | -15.6 | 30.4 | 0 | 0 | 0 | 110 | T827 | P825-T827 PolarHBondContact O-N 3.22Š|
| 826 | G | 31.4 | Very low | 32.7 | Very low | 78 Ų | 78 | 125.3 Ų | 125.3 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 121.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S828 | G826-S828 PolarHBondContact O-N 3.4Š|
| 827 | T | 30.1 | Very low | 32.8 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | trans | -92 | 88.6 | 173.7 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | P825 | P825-T827 PolarHBondContact O-N 3.22Š| ||
| 828 | S | 34.8 | Very low | 32.8 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -73.5 | 125.4 | 162.2 | 54.5 | 0 | 0 | 0 | 0 | 109.9 | G826 | G826-S828 PolarHBondContact O-N 3.4Š| ||
| 829 | S | 31.4 | Very low | 33.2 | Very low | 119 Ų | 119 | 124 Ų | 124 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 126.7 | -176.7 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 830 | S | 35.7 | Very low | 33.3 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -158.5 | 114.2 | 145.9 | 62.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 831 | S | 37.2 | Very low | 33.1 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | 33 | 124.6 | 141.8 | 60.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 832 | G | 33.1 | Very low | 33.3 | Very low | 74 Ų | 74 | 125 Ų | 125 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | 100.3 | 121.7 | 126.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 833 | P | 40.6 | Very low | 33.5 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -97.2 | 170.9 | -179.7 | 39.1 | -35.8 | 0 | 0 | 0 | 113.2 | ||||
| 834 | L | 33.6 | Very low | 33.9 | Very low | 150 Ų | 150 | 120.8 Ų | 120.8 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -169.5 | 124 | 134.3 | -105 | 166.6 | 0 | 0 | 0 | 113.3 | ||||
| 835 | N | 33.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 121 Ų | 121 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | trans | 44.7 | 135.5 | 145.7 | -67.8 | -0.2 | 0 | 0 | 0 | 124.2 | ||||
| 836 | N | 30.8 | Very low | 33.4 | Very low | 137 Ų | 137 | 124.2 Ų | 124.2 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | 39.2 | 137.3 | 125.8 | -44.3 | -17.9 | 0 | 0 | 0 | 119.2 | |||||
| 837 | T | 36.6 | Very low | 33.5 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | cis | -166.3 | 146.5 | 48.7 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 838 | S | 31.1 | Very low | 33.3 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 60.6 | 162.5 | 134.4 | -59.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 839 | P | 41.1 | Very low | 33.3 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -120.3 | -169.5 | -154.6 | 44.8 | -34.2 | 0 | 0 | 0 | 115.7 | ||||
| 840 | S | 30.3 | Very low | 33.3 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | 94.7 | 140.6 | 165.8 | -158.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 841 | G | 29.2 | Very low | 33.2 | Very low | 59 Ų | 59 | 136.1 Ų | 136.1 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | 139.1 | 108.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 842 | N | 33.3 | Very low | 32.9 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | 61.9 | 98.4 | 143.5 | -56.8 | -14.5 | 0 | 0 | 0 | 121 | ||||
| 843 | K | 33.1 | Very low | 32.8 | Very low | 198 Ų | 198 | 140 Ų | 140 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -51.8 | 173.9 | 131 | -66.7 | -177.1 | 179.7 | -179.7 | 0 | 111.5 | ||||
| 844 | P | 36.6 | Very low | 32.3 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | cis | -137.5 | -156 | -21.2 | 24.2 | 2.6 | 0 | 0 | 0 | 112.3 | ||||
| 845 | V | 28.5 | Very low | 32.1 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 66% | 0.655 | 77% | 0.766 | S | S | * | * | trans | 96.2 | 132.8 | 144 | 169.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 846 | H | 29.6 | Very low | 31.8 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | 67.4 | 150.7 | 165.3 | -67.6 | -25.5 | 0 | 0 | 0 | 118.4 | ||||
| 847 | S | 32.6 | Very low | 31.6 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | cis | -133.2 | 178.8 | 7.9 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 848 | R | 26.7 | Very low | 31.2 | Very low | 225 Ų | 225 | 138.3 Ų | 138.3 | 85% | 0.849 | 76% | 0.76 | S | S | * | * | trans | -114 | 141 | -169.5 | -70.7 | 179.7 | 176.8 | 167.3 | -2.3 | 112.6 | ||||
| 849 | F | 34.3 | Very low | 30.9 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | 53.5 | 163.8 | 134.8 | -78.2 | -65.4 | 0 | 0 | 0 | 120.2 | ||||
| 850 | P | 32.6 | Very low | 30.3 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | cis | -138.7 | 176.6 | 34.6 | 41.4 | -20.9 | 0 | 0 | 0 | 119.1 | ||||
| 851 | K | 34 | Very low | 30 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 73% | 0.73 | 71% | 0.714 | S | S | * | * | trans | -90.6 | 147.8 | 165.6 | -67.5 | 177.4 | 175 | 178.1 | 0 | 110.4 | ||||
| 852 | D | 29.1 | Very low | 30.1 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | trans | -150.1 | 112.3 | 149.6 | -92.3 | -35.2 | 0 | 0 | 0 | 105.8 | ||||
| 853 | H | 32.4 | Very low | 29.9 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 65% | 0.653 | 72% | 0.716 | S | S | * | * | 59.9 | 103.2 | 77.8 | -86.1 | 94.4 | 0 | 0 | 0 | 116 | |||||
| 854 | N | 29.3 | Very low | 30 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | -174.6 | 123.6 | 111 | -96.6 | -59.5 | 0 | 0 | 0 | 112.9 | |||||
| 855 | H | 30.7 | Very low | 29.9 | Very low | 159 Ų | 159 | 134 Ų | 134 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | trans | 27.7 | 150.7 | 131 | -68.5 | -30.8 | 0 | 0 | 0 | 122.5 | ||||
| 856 | C | 25.1 | Very low | 30.1 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | cis | -160.7 | 145.2 | 22.1 | -134.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 857 | T | 28.4 | Very low | 30.2 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | 47.1 | 146.4 | 135.1 | 58 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 858 | T | 27.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | cis | -163.4 | 147 | 13.7 | -2.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 859 | L | 25.1 | Very low | 30.4 | Very low | 135 Ų | 135 | 121.6 Ų | 121.6 | 71% | 0.707 | 67% | 0.665 | S | S | * | * | trans | 27.4 | 129.8 | 138.7 | -70.2 | 168.8 | 0 | 0 | 0 | 122.9 | ||||
| 860 | H | 27.4 | Very low | 30.1 | Very low | 69 Ų | 69 | 117.7 Ų | 117.7 | 32% | 0.319 | 66% | 0.656 | S | S | . | * | -176.6 | 152.2 | 91.4 | -112.9 | 89.1 | 0 | 0 | 0 | 116.3 | Y519 Q520 | Y519-H860 WeakPolarHBondContact CE1-O 3.49Å; Q520-H860 HydrophobicContact CG-CB 3.55Å | |||
| 861 | Q | 25.9 | Very low | 30 | Very low | 108 Ų | 108 | 118.5 Ų | 118.5 | 51% | 0.505 | 65% | 0.653 | S | S | . | * | trans | -27.6 | 153.7 | 171 | -58.6 | 160.2 | -3.1 | 0 | 0 | 121.9 | Q520 N863 | Q520-Q861 PolarHBondContact NE2-O 3.12Å; Q861-N863 PolarHBondContact OE1-ND2 2.76Å | ||
| 862 | P | 30.2 | Very low | 29.8 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 83% | 0.831 | 65% | 0.65 | S | S | * | * | trans | -100.1 | 127 | 150 | 34.6 | -25.8 | 0 | 0 | 0 | 112.5 | ||||
| 863 | N | 29.1 | Very low | 29.8 | Very low | 135 Ų | 135 | 117.8 Ų | 117.8 | 72% | 0.722 | 65% | 0.653 | S | S | * | * | trans | -128 | 148.1 | 175.5 | -86.8 | -39.9 | 0 | 0 | 0 | 111.9 | Q861 | Q861-N863 PolarHBondContact OE1-ND2 2.76Š| ||
| 864 | T | 35.1 | Very low | 29.5 | Very low | 129 Ų | 129 | 115.5 Ų | 115.5 | 79% | 0.791 | 66% | 0.659 | S | S | * | * | trans | -80.6 | 157.7 | 170.2 | 54 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 865 | P | 34.8 | Very low | 29.4 | Very low | 107 Ų | 107 | 113.1 Ų | 113.1 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | -157.7 | -130.3 | 78.6 | 43.5 | -19.4 | 0 | 0 | 0 | 115.6 | |||||
| 866 | V | 31.8 | Very low | 29.2 | Very low | 94 Ų | 94 | 109.8 Ų | 109.8 | 57% | 0.57 | 66% | 0.659 | S | S | * | * | trans | -146.3 | -175.5 | -168 | -74.2 | 0 | 0 | 0 | 0 | 109.7 | P219 Y220 | P219-V866 CarbonylContact O-C 3.59Å; Y220-V866 CarbonylContact O-C 3.51Å; Y220-V866 WeakPolarHBondContact O-CA 3.32Å | ||
| 867 | S | 31.7 | Very low | 29.3 | Very low | 67 Ų | 67 | 113.6 Ų | 113.6 | 47% | 0.469 | 67% | 0.667 | S | S | . | * | cis | -157.9 | 148.3 | 19.3 | -150.2 | 0 | 0 | 0 | 0 | 115.8 | P219 Y220 | P219-S867 CarbonylContact C-O 3.58Å; P219-S867 CarbonylContact O-C 3.53Å; P219-S867 PolarHBondContact O-N 3.07Å; Y220-S867 VanDerWaalsContact C-CA 3.5Å; Y220-S867 CarbonylContact O-C 3.6Å; Y220-S867 WeakPolarHBondContact O-CA 3.46Å; Y220-S867 PolarHBondContact O-N 2.89Å; Y220-S867 VanDerWaalsContact O-N 3.16Å | ||
| 868 | V | 31.8 | Very low | 29.2 | Very low | 80 Ų | 80 | 115.1 Ų | 115.1 | 49% | 0.485 | 67% | 0.667 | S | S | . | * | B | Isolated β-bridge | trans | 59.8 | 140.7 | 165.1 | -106.6 | 0 | 0 | 0 | 0 | 124.3 | Y220 S221 | Y220-V868 VanDerWaalsContact C-N 3.35Å; S221-V868 VanDerWaalsContact CB-N 3.26Å; S221-V868 CarbonylContact O-C 3.11Å |
| 869 | M | 31.7 | Very low | 29.3 | Very low | 135 Ų | 135 | 117.4 Ų | 117.4 | 67% | 0.665 | 67% | 0.669 | S | S | * | * | trans | 57.5 | 159.6 | 136.7 | -82.5 | 169.1 | -179.2 | 0 | 0 | 121.8 | S221 I223 | S221-M869 PolarHBondContact O-N 3.24Å; I223-M869 HydrophobicContact CD1-CE 4.14Å | ||
| 870 | T | 29.8 | Very low | 29.4 | Very low | 102 Ų | 102 | 115.3 Ų | 115.3 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | cis | -149 | 176.5 | 3.6 | -126.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 871 | L | 30 | Very low | 29.3 | Very low | 136 Ų | 136 | 117.9 Ų | 117.9 | 71% | 0.712 | 69% | 0.692 | S | S | * | * | trans | -45.6 | 173.2 | 173.3 | -63.6 | 148.5 | 0 | 0 | 0 | 115.6 | ||||
| 872 | T | 30 | Very low | 29.5 | Very low | 109 Ų | 109 | 115.1 Ų | 115.1 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | cis | -171 | 137.8 | 47.6 | -44.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 873 | F | 28 | Very low | 29.4 | Very low | 175 Ų | 175 | 113.9 Ų | 113.9 | 77% | 0.768 | 68% | 0.678 | S | S | * | * | trans | 57.2 | 126.9 | 150.4 | -81.8 | -131.9 | 0 | 0 | 0 | 124.8 | ||||
| 874 | A | 27.2 | Very low | 29.4 | Very low | 93 Ų | 93 | 111.2 Ų | 111.2 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | 64.8 | 155.6 | 124.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 875 | A | 26.2 | Very low | 29.5 | Very low | 92 Ų | 92 | 109.3 Ų | 109.3 | 76% | 0.76 | 65% | 0.653 | S | S | * | * | cis | -151.5 | 169.7 | 3.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 876 | A | 26.5 | Very low | 29.3 | Very low | 90 Ų | 90 | 110 Ų | 110 | 74% | 0.744 | 66% | 0.655 | S | S | * | * | trans | 63.6 | 125.2 | 147.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 877 | Q | 27 | Very low | 29.2 | Very low | 171 Ų | 171 | 113.6 Ų | 113.6 | 80% | 0.799 | 67% | 0.67 | S | S | * | * | trans | 68.5 | 106.1 | 133.8 | -67.9 | -177.2 | -13 | 0 | 0 | 123.2 | ||||
| 878 | Q | 27.7 | Very low | 29.1 | Very low | 148 Ų | 148 | 113.4 Ų | 113.4 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | 70.8 | 138.2 | 119.2 | -68.7 | -166.1 | 13.8 | 0 | 0 | 123.2 | |||||
| 879 | Q | 27.5 | Very low | 28.9 | Very low | 162 Ų | 162 | 116.2 Ų | 116.2 | 76% | 0.757 | 69% | 0.69 | S | S | * | * | trans | 66.5 | 148.7 | 150.7 | -69.9 | 174.6 | 57 | 0 | 0 | 118.6 | ||||
| 880 | S | 27.4 | Very low | 28.7 | Very low | 91 Ų | 91 | 120.2 Ų | 120.2 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | cis | 179.3 | 163.9 | -37.3 | 46.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 881 | S | 27.1 | Very low | 28.9 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 87% | 0.867 | 68% | 0.682 | S | S | * | * | trans | 76.5 | 139.4 | -173.2 | -30.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 882 | G | 28.9 | Very low | 28.9 | Very low | 49 Ų | 49 | 116.2 Ų | 116.2 | 51% | 0.505 | 68% | 0.681 | S | S | . | * | cis | 143.7 | 176.9 | 0.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A508 | A508-G882 WeakPolarHBondContact O-CA 3.38Š| ||
| 883 | I | 28 | Very low | 28.9 | Very low | 103 Ų | 103 | 115.5 Ų | 115.5 | 53% | 0.528 | 68% | 0.681 | S | S | . | * | trans | 81.8 | 141.4 | 164.7 | -47.8 | 177.7 | 0 | 0 | 0 | 117 | N506 G507 A508 | N506-I883 HydrophobicContact CB-CB 4.05Å; N506-I883 HydrophobicContact CB-CD1 3.71Å; N506-I883 HydrophobicContact CB-CG1 3.54Å; N506-I883 HydrophobicContact CB-CG2 3.57Å; G507-I883 WeakPolarHBondContact O-CA 3.49Å; G507-I883 PolarHBondContact O-N 2.87Å; A508-I883 PolarHBondContact O-N 3.13Å | ||
| 884 | N | 29.2 | Very low | 28.9 | Very low | 79 Ų | 79 | 113.7 Ų | 113.7 | 42% | 0.422 | 68% | 0.679 | S | S | . | * | cis | -159.2 | 179.1 | -48.3 | -137.7 | 7.9 | 0 | 0 | 0 | 108.5 | N506 G507 A508 | N506-N884 HydrophobicContact CB-CB 4.49Å; N506-N884 PolarHBondContact OD1-ND2 3.47Å; G507-N884 VanDerWaalsContact CA-CG 3.49Å; G507-N884 VanDerWaalsContact CA-ND2 3.28Å; G507-N884 WeakPolarHBondContact CA-ND2 3.4Å; A508-N884 WeakPolarHBondContact CA-OD1 3.14Å; A508-N884 VanDerWaalsContact CB-CA 3.5Å; A508-N884 HydrophobicContact CB-CB 4.06Å; A508-N884 WeakPolarHBondContact CB-OD1 3.24Å; A508-N884 PolarHBondContact N-OD1 2.84Å | ||
| 885 | P | 37.8 | Very low | 28.9 | Very low | 88 Ų | 88 | 117 Ų | 117 | 57% | 0.571 | 68% | 0.679 | S | S | * | * | -134.5 | -152.5 | -123.1 | 43.5 | -21.4 | 0 | 0 | 0 | 115.9 | |||||
| 886 | T | 30.7 | Very low | 28.9 | Very low | 122 Ų | 122 | 117 Ų | 117 | 75% | 0.748 | 68% | 0.678 | S | S | * | * | trans | 73.4 | 120.3 | 155.7 | 40 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 887 | L | 28.8 | Very low | 29 | Very low | 169 Ų | 169 | 118.5 Ų | 118.5 | 89% | 0.885 | 68% | 0.683 | S | S | * | * | 175.8 | 153 | 110.4 | -96.6 | 158.7 | 0 | 0 | 0 | 114.1 | |||||
| 888 | G | 29.4 | Very low | 28.9 | Very low | 64 Ų | 64 | 118.9 Ų | 118.9 | 66% | 0.66 | 69% | 0.685 | S | S | * | * | trans | 91.3 | 115.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 889 | I | 28.2 | Very low | 28.8 | Very low | 138 Ų | 138 | 121.7 Ų | 121.7 | 71% | 0.708 | 70% | 0.695 | S | S | * | * | cis | 73.4 | 127.8 | 25 | -47.2 | 179 | 0 | 0 | 0 | 111.4 | ||||
| 890 | R | 27.5 | Very low | 28.8 | Very low | 219 Ų | 219 | 122.3 Ų | 122.3 | 83% | 0.826 | 70% | 0.698 | S | S | * | * | cis | -144 | -175.9 | 24.3 | -143.1 | 157.9 | -157.4 | 175.9 | 5 | 114.3 | ||||
| 891 | N | 32.9 | Very low | 29.2 | Very low | 54 Ų | 54 | 123.3 Ų | 123.3 | 29% | 0.289 | 70% | 0.702 | S | S | . | * | trans | -132.9 | 167.8 | 176.2 | -149.7 | 71.4 | 0 | 0 | 0 | 111.3 | R455 G456 V457 | R455-N891 VanDerWaalsContact C-ND2 3.31Å; R455-N891 WeakPolarHBondContact CB-OD1 3.46Å; R455-N891 PolarHBondContact O-ND2 2.81Å; R455-N891 PolarHBondContact O-OD1 2.68Å; R455-N891 VanDerWaalsContact O-OD1 3.13Å; G456-N891 PolarHBondContact N-ND2 2.75Å; G456-N891 PolarHBondContact N-OD1 3.26Å; G456-N891 VanDerWaalsContact N-OD1 3.07Å; V457-N891 HydrophobicContact CB-CB 3.8Å; V457-N891 HydrophobicContact CG2-CB 3.89Å | ||
| 892 | S | 30.6 | Very low | 29.5 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -174.6 | 137 | 151 | -124.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 893 | S | 30.3 | Very low | 29.4 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | trans | 55.3 | 143.1 | 132.9 | 70.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 894 | D | 29 | Very low | 29.4 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | cis | -167.6 | 178.6 | -0 | -131.7 | -45.6 | 0 | 0 | 0 | 114.6 | ||||
| 895 | Q | 26.6 | Very low | 29.5 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | trans | 67.6 | 103.7 | 148.3 | -76.6 | 170.8 | 54.5 | 0 | 0 | 122.4 | ||||
| 896 | A | 25.7 | Very low | 29.2 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | 59.5 | 112.2 | 114.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 897 | S | 28.5 | Very low | 29.1 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | -163.7 | 142.9 | 113.7 | 22.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 898 | H | 24.7 | Very low | 29.2 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 83% | 0.833 | 75% | 0.747 | S | S | * | * | trans | -65.6 | 146.1 | 167.8 | -72.6 | -27.6 | 0 | 0 | 0 | 111.5 | ||||
| 899 | F | 26.8 | Very low | 29.3 | Very low | 207 Ų | 207 | 141.6 Ų | 141.6 | 91% | 0.908 | 75% | 0.747 | S | S | * | * | -166 | 144.2 | 121.3 | -103.5 | -70.6 | 0 | 0 | 0 | 111 | |||||
| 900 | Q | 27.6 | Very low | 29.4 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -105.3 | -173.9 | 163.4 | -57.7 | -173 | -26.6 | 0 | 0 | 108 | ||||
| 901 | P | 36 | Very low | 29.6 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | cis | -121.4 | -135.3 | -8.7 | 39.1 | -17.4 | 0 | 0 | 0 | 109.6 | ||||
| 902 | P | 31.7 | Very low | 29.5 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | cis | -112.8 | 155.5 | 22.8 | 40.6 | -30.3 | 0 | 0 | 0 | 116.1 | ||||
| 903 | Y | 27.1 | Very low | 29.6 | Very low | 228 Ų | 228 | 137.2 Ų | 137.2 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | trans | -85.6 | 147.5 | 156.5 | -129.2 | -108.2 | 0 | 0 | 0 | 108.1 | ||||
| 904 | Y | 28.9 | Very low | 30 | Very low | 218 Ų | 218 | 138 Ų | 138 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -116.1 | 108.4 | 164.6 | -105 | -79.9 | 0 | 0 | 0 | 109.6 | ||||
| 905 | G | 29.8 | Very low | 30.1 | Very low | 59 Ų | 59 | 137.2 Ų | 137.2 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | trans | -109.1 | 166.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 906 | F | 32.6 | Very low | 30.4 | Very low | 204 Ų | 204 | 136.2 Ų | 136.2 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | trans | -72.6 | 153.1 | 166.3 | -75.1 | -90.1 | 0 | 0 | 0 | 110.2 | ||||
| 907 | P | 28.3 | Very low | 30.8 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -74.4 | 142.3 | -161.6 | 28.4 | -35.8 | 0 | 0 | 0 | 114 | ||||
| 908 | T | 30.9 | Very low | 31.4 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -124.2 | 95.4 | 161.7 | 55 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 909 | D | 30.6 | Very low | 31.8 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 66% | 0.658 | 76% | 0.759 | S | S | * | * | trans | -69.8 | 144.5 | 164.7 | -89 | -21.1 | 0 | 0 | 0 | 109.2 | ||||
| 910 | S | 31.3 | Very low | 32.2 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | -159.3 | 132.9 | 172.7 | 50.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 911 | T | 32 | Very low | 32.4 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 61% | 0.613 | 74% | 0.736 | S | S | * | * | trans | -126.5 | 110.1 | -177.6 | 3.4 | 0 | 0 | 0 | 0 | 111.9 | E1494 | T911-E1494 PolarHBondContact N-OE1 2.71Å; T911-E1494 PolarHBondContact OG1-OE1 3Å | ||
| 912 | T | 30.6 | Very low | 32.3 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | 31.4 | 131.4 | 140.8 | 55.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 913 | A | 33 | Very low | 32.3 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | cis | -179.6 | -159.6 | 6.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 914 | P | 38.3 | Very low | 32.3 | Very low | 109 Ų | 109 | 129 Ų | 129 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | -125.3 | 179.9 | -68.2 | 32 | -15.6 | 0 | 0 | 0 | 113.6 | |||||
| 915 | T | 30.4 | Very low | 32.4 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | 65.2 | 120.5 | 153.3 | 23 | 0 | 0 | 0 | 0 | 118 | ||||
| 916 | L | 33.7 | Very low | 32.4 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | -173.1 | 119.8 | 63.3 | -110.2 | 157.4 | 0 | 0 | 0 | 112.8 | |||||
| 917 | Q | 34.2 | Very low | 32.3 | Very low | 181 Ų | 181 | 126.4 Ų | 126.4 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | 56 | 162.2 | 135.6 | -77.7 | -163.7 | 3.8 | 0 | 0 | 123 | ||||
| 918 | P | 41 | Very low | 32.4 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | trans | -117.7 | 179.7 | -148.5 | 44.2 | -35.7 | 0 | 0 | 0 | 114.4 | ||||
| 919 | N | 32.7 | Very low | 32.4 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | -164.6 | 166 | 116.1 | -114.3 | -43.9 | 0 | 0 | 0 | 116.5 | |||||
| 920 | S | 35.5 | Very low | 32.5 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | trans | 72.8 | 86.4 | 152.1 | -64 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 921 | S | 32.3 | Very low | 32.3 | Very low | 84 Ų | 84 | 129.1 Ų | 129.1 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | 104.3 | 123.4 | 101.1 | -71 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 922 | Y | 32.9 | Very low | 32.4 | Very low | 204 Ų | 204 | 131.1 Ų | 131.1 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | 81.6 | 104.4 | 147.1 | -54.1 | -44.1 | 0 | 0 | 0 | 121.9 | ||||
| 923 | L | 31.6 | Very low | 32.4 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | 76.4 | 84.8 | 132.5 | -76 | 159.1 | 0 | 0 | 0 | 118 | H925 | L923-H925 PolarHBondContact O-N 3.08Š| ||
| 924 | S | 27.7 | Very low | 32.4 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | -29.3 | 124.7 | 140.2 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 925 | H | 31 | Very low | 32.2 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | -117.7 | 114.8 | 136.5 | -95.3 | 45 | 0 | 0 | 0 | 107.5 | L923 N927 | L923-H925 PolarHBondContact O-N 3.08Å; H925-N927 PolarHBondContact O-N 3.38Å; H925-N927 VanDerWaalsContact O-N 3.12Å | ||
| 926 | S | 30.2 | Very low | 32.7 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -66.7 | 106 | 171 | 49.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 927 | N | 29.7 | Very low | 32.8 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -59.9 | 147.3 | -178.5 | -77 | -43.8 | 0 | 0 | 0 | 111.7 | H925 | H925-N927 PolarHBondContact O-N 3.38Å; H925-N927 VanDerWaalsContact O-N 3.12Å | ||
| 928 | P | 29.9 | Very low | 32.8 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 58% | 0.584 | 75% | 0.752 | S | S | * | * | trans | -66.3 | 163.2 | 179.2 | 29.9 | -36.5 | 0 | 0 | 0 | 111.7 | L930 | P928-L930 PolarHBondContact O-N 3.29Š| ||
| 929 | P | 32.3 | Very low | 32.9 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | trans | -57.7 | 113.3 | 172 | 25.1 | -34.5 | 0 | 0 | 0 | 110.1 | H931 | P929-H931 PolarHBondContact O-N 3.45Š| ||
| 930 | L | 31.5 | Very low | 33 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -70.8 | 102.8 | -173.5 | -68.7 | 177.6 | 0 | 0 | 0 | 111.2 | P928 I932 | P928-L930 PolarHBondContact O-N 3.29Å; L930-I932 PolarHBondContact O-N 2.91Å | ||
| 931 | H | 28.4 | Very low | 33.3 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -60 | 111.2 | 153.9 | -85.4 | 44.2 | 0 | 0 | 0 | 108.5 | P929 N933 | P929-H931 PolarHBondContact O-N 3.45Å; H931-N933 VanDerWaalsContact C-N 3.34Å; H931-N933 PolarHBondContact O-N 2.8Å; H931-N933 VanDerWaalsContact O-N 3.09Å | ||
| 932 | I | 33.1 | Very low | 33.7 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | -83.3 | 84.3 | 171.9 | -59.3 | -179 | 0 | 0 | 0 | 108.6 | L930 | L930-I932 PolarHBondContact O-N 2.91Š| ||
| 933 | N | 30 | Very low | 34.1 | Very low | 126 Ų | 126 | 142 Ų | 142 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | trans | -90.8 | 99.4 | 159.5 | -83.4 | -5.3 | 0 | 0 | 0 | 108.5 | H931 M935 | H931-N933 VanDerWaalsContact C-N 3.34Å; H931-N933 PolarHBondContact O-N 2.8Å; H931-N933 VanDerWaalsContact O-N 3.09Å; N933-M935 WeakPolarHBondContact O-CG 3.25Å | ||
| 934 | N | 35 | Very low | 35 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | -114.8 | 98.6 | 164.2 | -82.9 | 1.3 | 0 | 0 | 0 | 107.8 | ||||
| 935 | M | 33.7 | Very low | 36.1 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | 82.1 | 81.8 | 67.5 | -68 | -71.9 | 178.6 | 0 | 0 | 113.7 | N933 | N933-M935 WeakPolarHBondContact O-CG 3.25Š| |||
| 936 | L | 39.8 | Very low | 37.6 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -109.5 | 151.9 | 144.7 | -80 | 171.8 | 0 | 0 | 0 | 108.3 | L938 | L936-L938 PolarHBondContact O-N 3.2Š| ||
| 937 | P | 35.4 | Very low | 39.9 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | -75.6 | 116.4 | -156.5 | 27.4 | -35.2 | 0 | 0 | 0 | 114.1 | R939 | P937-R939 PolarHBondContact O-N 3.09Š| ||
| 938 | L | 34.8 | Very low | 42.9 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 75% | 0.751 | S | S | * | * | trans | -67 | 111.5 | 170.9 | -78.2 | 164.1 | 0 | 0 | 0 | 111.5 | L936 | L936-L938 PolarHBondContact O-N 3.2Š| ||
| 939 | R | 42.6 | Very low | 46 | Very low | 218 Ų | 218 | 135.9 Ų | 135.9 | 82% | 0.823 | 73% | 0.731 | S | S | * | * | trans | -72.7 | 135.3 | 151.1 | -96.6 | -177.3 | 168 | -178.9 | -3.1 | 108.5 | P937 T941 | P937-R939 PolarHBondContact O-N 3.09Å; R939-T941 PolarHBondContact O-N 2.98Å; R939-T941 VanDerWaalsContact O-N 3.1Å | ||
| 940 | P | 36.4 | Very low | 49 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | trans | -80.8 | 89.2 | 173.2 | 31.9 | -33 | 0 | 0 | 0 | 110.7 | ||||
| 941 | T | 41.2 | Very low | 52 | Low | 95 Ų | 95 | 134 Ų | 134 | 58% | 0.583 | 70% | 0.701 | S | S | * | * | trans | -115.3 | 148 | 158.1 | 45.5 | 0 | 0 | 0 | 0 | 109.3 | R939 D943 | R939-T941 PolarHBondContact O-N 2.98Å; R939-T941 VanDerWaalsContact O-N 3.1Å; T941-D943 VanDerWaalsContact C-N 3.3Å; T941-D943 PolarHBondContact O-N 3.01Å | ||
| 942 | N | 40.8 | Very low | 55.3 | Low | 159 Ų | 159 | 126 Ų | 126 | 85% | 0.85 | 66% | 0.664 | S | S | * | * | trans | -79.1 | 78 | -173.8 | -66.4 | -36.5 | 0 | 0 | 0 | 110.8 | V944 | N942-V944 PolarHBondContact O-N 3.07Š| ||
| 943 | D | 40.2 | Very low | 58.2 | Low | 143 Ų | 143 | 122.8 Ų | 122.8 | 77% | 0.765 | 65% | 0.646 | S | S | * | * | trans | -74.4 | 71.3 | 176.5 | -65.9 | -7.1 | 0 | 0 | 0 | 110.4 | T941 A945 | T941-D943 VanDerWaalsContact C-N 3.3Å; T941-D943 PolarHBondContact O-N 3.01Å; D943-A945 PolarHBondContact O-N 3.23Å | ||
| 944 | V | 50.6 | Low | 61.3 | Low | 115 Ų | 115 | 118.8 Ų | 118.8 | 70% | 0.697 | 62% | 0.623 | S | S | * | * | trans | -59.7 | 121.4 | 157.7 | -178.7 | 0 | 0 | 0 | 0 | 106.2 | N942 | N942-V944 PolarHBondContact O-N 3.07Š| ||
| 945 | A | 52.7 | Low | 64.2 | Low | 81 Ų | 81 | 113.6 Ų | 113.6 | 67% | 0.669 | 59% | 0.594 | S | S | * | * | trans | -51.6 | 129.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | D943 E947 | D943-A945 PolarHBondContact O-N 3.23Å; A945-E947 PolarHBondContact O-N 2.9Å | ||
| 946 | P | 61.5 | Low | 67 | Low | 130 Ų | 130 | 109.6 Ų | 109.6 | 84% | 0.844 | 57% | 0.57 | S | S | * | * | trans | -55.1 | 112.8 | -164.3 | 19 | -32.1 | 0 | 0 | 0 | 110.4 | R948 | P946-R948 PolarHBondContact O-N 3.36Š| ||
| 947 | E | 79.5 | Confident | 69.6 | Low | 178 Ų | 178 | 105.8 Ų | 105.8 | 83% | 0.832 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -65 | 131.5 | -177.5 | -169.9 | 170.3 | -164.5 | 0 | 0 | 108.4 | A945 S949 | A945-E947 PolarHBondContact O-N 2.9Å; E947-S949 PolarHBondContact O-N 3.39Å |
| 948 | R | 91.4 | Very high | 72.2 | Confident | 113 Ų | 113 | 104.8 Ų | 104.8 | 43% | 0.426 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 138.6 | 178.6 | -73.5 | -176.7 | 171.6 | 75.5 | 7.2 | 109.3 | P946 L952 E953 D978 | P946-R948 PolarHBondContact O-N 3.36Å; R948-L952 HydrophobicContact CB-CB 4.48Å; R948-L952 HydrophobicContact CB-CD2 4.21Å; R948-L952 HydrophobicContact CB-CG 4.47Å; R948-L952 HydrophobicContact CG-CD2 3.84Å; R948-L952 HydrophobicContact CG-CG 4.41Å; R948-E953 HydrophobicContact CB-CB 4.36Å; R948-E953 WeakPolarHBondContact CD-OE2 3.43Å; R948-D978 IonicContact CZ-OD1 3.72Å; R948-D978 VanDerWaalsContact CZ-OD1 3.31Å; R948-D978 IonicContact NE-OD1 2.75Å; R948-D978 PolarHBondContact NE-OD1 2.91Å; R948-D978 IonicContact NH2-OD1 3.21Å; R948-D978 PolarHBondContact NH2-OD1 3.31Å |
| 949 | S | 95.2 | Very high | 74.9 | Confident | 23 Ų | 23 | 104.6 Ų | 104.6 | 16% | 0.161 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 148.3 | 172.3 | 71.1 | 0 | 0 | 0 | 0 | 109.8 | E947 L951 L952 E953 H971 E974 | E947-S949 PolarHBondContact O-N 3.39Å; S949-L951 PolarHBondContact O-N 3.04Å; S949-L951 VanDerWaalsContact O-N 3.09Å; S949-L952 PolarHBondContact O-N 3.48Å; S949-L952 PolarHBondContact OG-N 3.15Å; S949-E953 PolarHBondContact O-N 3.33Å; S949-H971 VanDerWaalsContact CB-CE1 3.43Å; S949-H971 WeakPolarHBondContact CB-CE1 3.43Å; S949-H971 PolarHBondContact OG-ND1 3.27Å; S949-E974 WeakPolarHBondContact CB-OE1 3.09Å; S949-E974 WeakPolarHBondContact CB-OE2 3.27Å; S949-E974 PolarHBondContact N-OE1 2.9Å; S949-E974 VanDerWaalsContact OG-CD 3.23Å; S949-E974 PolarHBondContact OG-OE1 2.98Å; S949-E974 VanDerWaalsContact OG-OE1 3.08Å; S949-E974 PolarHBondContact OG-OE2 3.13Å |
| 950 | R | 94.5 | Very high | 77.1 | Confident | 186 Ų | 186 | 96.4 Ų | 96.4 | 70% | 0.702 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -54.8 | -31.5 | 176.7 | -177.3 | 175.2 | 170.4 | -146.1 | -19.1 | 111.9 | E954 | R950-E954 HydrophobicContact CG-CG 4.19Å; R950-E954 IonicContact CZ-OE1 3.78Å; R950-E954 IonicContact NE-OE1 2.84Å; R950-E954 PolarHBondContact NE-OE1 2.82Å; R950-E954 IonicContact NH2-OE1 3.81Å; R950-E954 PolarHBondContact NH2-OE1 3.44Å; R950-E954 IonicContact NH2-OE2 2.77Å; R950-E954 VanDerWaalsContact O-CB 3.24Å; R950-E954 WeakPolarHBondContact O-CB 3.42Å; R950-E954 VanDerWaalsContact O-CG 3.26Å; R950-E954 WeakPolarHBondContact O-CG 3.38Å; R950-E954 PolarHBondContact O-N 3.36Å |
| 951 | L | 96.1 | Very high | 79.5 | Confident | 40 Ų | 40 | 95.6 Ų | 95.6 | 21% | 0.209 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -64.8 | -50 | 175.5 | -174.9 | 68.2 | 0 | 0 | 0 | 111.7 | S949 F955 L960 L963 D967 L968 H971 F975 | S949-L951 PolarHBondContact O-N 3.04Å; S949-L951 VanDerWaalsContact O-N 3.09Å; L951-F955 WeakPolarHBondContact O-CB 3.41Å; L951-F955 PolarHBondContact O-N 3.3Å; L951-L960 HydrophobicContact CD1-CD1 3.79Å; L951-L963 HydrophobicContact CD1-CD1 4.37Å; L951-D967 WeakPolarHBondContact CD2-O 2.8Å; L951-L968 HydrophobicContact CD2-CD2 3.96Å; L951-L968 HydrophobicContact CG-CD2 4.45Å; L951-H971 HydrophobicContact CD2-CB 3.91Å; L951-F975 HydrophobicContact CB-CE2 4.43Å; L951-F975 HydrophobicContact CD2-CE2 4.06Å; L951-F975 HydrophobicContact CD2-CZ 4.39Å; L951-F975 HydrophobicContact CG-CE2 4Å; L951-F975 HydrophobicContact CG-CZ 4.02Å |
| 952 | L | 96.1 | Very high | 81.8 | Confident | 3 Ų | 3 | 96.5 Ų | 96.5 | 2% | 0.016 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 178.3 | 179.7 | 59 | 0 | 0 | 0 | 111.9 | R948 S949 F955 R956 E974 F975 D978 | R948-L952 HydrophobicContact CB-CB 4.48Å; R948-L952 HydrophobicContact CB-CD2 4.21Å; R948-L952 HydrophobicContact CB-CG 4.47Å; R948-L952 HydrophobicContact CG-CD2 3.84Å; R948-L952 HydrophobicContact CG-CG 4.41Å; S949-L952 PolarHBondContact O-N 3.48Å; S949-L952 PolarHBondContact OG-N 3.15Å; L952-F955 HydrophobicContact CD1-CD1 4.44Å; L952-F955 PolarHBondContact O-N 3.09Å; L952-R956 HydrophobicContact CD1-CG 4.17Å; L952-R956 HydrophobicContact CG-CG 4.48Å; L952-R956 WeakPolarHBondContact O-CB 3.43Å; L952-R956 VanDerWaalsContact O-CG 3.23Å; L952-R956 WeakPolarHBondContact O-CG 3.34Å; L952-R956 PolarHBondContact O-N 2.97Å; L952-E974 HydrophobicContact CD2-CG 4.01Å; L952-E974 WeakPolarHBondContact CD2-OE1 3.2Å; L952-F975 VanDerWaalsContact CA-CE2 3.5Å; L952-F975 VanDerWaalsContact CA-CZ 3.5Å; L952-F975 HydrophobicContact CB-CD2 4.09Å; L952-F975 HydrophobicContact CB-CE2 3.54Å; L952-F975 HydrophobicContact CB-CZ 4.01Å; L952-F975 HydrophobicContact CD1-CD1 4.08Å; L952-F975 HydrophobicContact CD1-CD2 3.93Å; L952-F975 HydrophobicContact CD1-CE1 3.98Å; L952-F975 HydrophobicContact CD1-CE2 3.87Å; L952-F975 HydrophobicContact CD1-CG 4.04Å; L952-F975 HydrophobicContact CD1-CZ 3.88Å; L952-F975 HydrophobicContact CG-CD2 4.47Å; L952-F975 HydrophobicContact CG-CE2 4.26Å; L952-D978 HydrophobicContact CD1-CB 3.91Å; L952-D978 HydrophobicContact CD2-CB 3.74Å; L952-D978 HydrophobicContact CG-CB 4.43Å |
| 953 | E | 94.7 | Very high | 84.3 | Confident | 76 Ų | 76 | 89.4 Ų | 89.4 | 36% | 0.355 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.5 | -38.1 | 179.8 | -167.3 | 56 | -151.2 | 0 | 0 | 112 | R948 S949 R956 N957 | R948-E953 HydrophobicContact CB-CB 4.36Å; R948-E953 WeakPolarHBondContact CD-OE2 3.43Å; S949-E953 PolarHBondContact O-N 3.33Å; E953-R956 PolarHBondContact O-N 3.22Å; E953-R956 IonicContact OE2-NE 2.67Å; E953-N957 WeakPolarHBondContact O-CB 3.4Å; E953-N957 PolarHBondContact O-N 2.86Å; E953-N957 PolarHBondContact O-ND2 3.32Å; E953-N957 PolarHBondContact OE1-ND2 3.49Å |
| 954 | E | 94.9 | Very high | 86.9 | Confident | 43 Ų | 43 | 85.3 Ų | 85.3 | 20% | 0.201 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.7 | -35.4 | 172 | -73.4 | -175.5 | 174.9 | 0 | 0 | 112.2 | R950 S958 R959 L960 | R950-E954 HydrophobicContact CG-CG 4.19Å; R950-E954 IonicContact CZ-OE1 3.78Å; R950-E954 IonicContact NE-OE1 2.84Å; R950-E954 PolarHBondContact NE-OE1 2.82Å; R950-E954 IonicContact NH2-OE1 3.81Å; R950-E954 PolarHBondContact NH2-OE1 3.44Å; R950-E954 IonicContact NH2-OE2 2.77Å; R950-E954 VanDerWaalsContact O-CB 3.24Å; R950-E954 WeakPolarHBondContact O-CB 3.42Å; R950-E954 VanDerWaalsContact O-CG 3.26Å; R950-E954 WeakPolarHBondContact O-CG 3.38Å; R950-E954 PolarHBondContact O-N 3.36Å; E954-S958 PolarHBondContact O-N 2.88Å; E954-R959 HydrophobicContact CB-CB 4.28Å; E954-R959 WeakPolarHBondContact O-CB 3.25Å; E954-R959 PolarHBondContact O-N 3.42Å; E954-L960 HydrophobicContact CB-CD1 3.9Å; E954-L960 HydrophobicContact CB-CG 4.07Å |
| 955 | F | 95.8 | Very high | 89 | Confident | 37 Ų | 37 | 80.2 Ų | 80.2 | 16% | 0.162 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.7 | -51 | 171.5 | 172.8 | -109.9 | 0 | 0 | 0 | 112.1 | L951 L952 N957 S958 L960 L963 F975 F984 | L951-F955 WeakPolarHBondContact O-CB 3.41Å; L951-F955 PolarHBondContact O-N 3.3Å; L952-F955 HydrophobicContact CD1-CD1 4.44Å; L952-F955 PolarHBondContact O-N 3.09Å; F955-N957 VanDerWaalsContact C-N 3.27Å; F955-N957 PolarHBondContact O-N 2.9Å; F955-S958 WeakPolarHBondContact O-CA 3.41Å; F955-S958 PolarHBondContact O-N 3.07Å; F955-L960 HydrophobicContact CB-CD1 4.33Å; F955-L963 HydrophobicContact CB-CD2 4.11Å; F955-L963 HydrophobicContact CD2-CD2 3.61Å; F955-L963 HydrophobicContact CE2-CD2 4.34Å; F955-L963 HydrophobicContact CG-CD2 3.99Å; F955-F975 HydrophobicContact CB-CE1 4.04Å; F955-F975 HydrophobicContact CB-CZ 3.98Å; F955-F975 HydrophobicContact CD1-CD1 4.34Å; F955-F975 AromaticContact CD1-CE1 3.56Å; F955-F975 HydrophobicContact CD1-CE1 3.56Å; F955-F975 HydrophobicContact CD1-CZ 4.27Å; F955-F975 HydrophobicContact CE1-CE1 4.22Å; F955-F975 AromaticContact CG-CE1 3.81Å; F955-F975 HydrophobicContact CG-CE1 3.81Å; F955-F975 HydrophobicContact CG-CZ 4.28Å; F955-F984 HydrophobicContact CE1-CB 4.11Å; F955-F984 HydrophobicContact CE1-CG 4.48Å; F955-F984 HydrophobicContact CE2-CB 4.49Å; F955-F984 AromaticContact CE2-CD2 3.67Å; F955-F984 HydrophobicContact CE2-CD2 3.67Å; F955-F984 HydrophobicContact CE2-CE2 4.11Å; F955-F984 HydrophobicContact CE2-CG 4.19Å; F955-F984 HydrophobicContact CZ-CB 3.67Å; F955-F984 AromaticContact CZ-CD2 3.69Å; F955-F984 HydrophobicContact CZ-CD2 3.69Å; F955-F984 AromaticContact CZ-CG 3.82Å; F955-F984 HydrophobicContact CZ-CG 3.82Å |
| 956 | R | 93.8 | Very high | 91 | Very high | 76 Ų | 76 | 82.4 Ų | 82.4 | 29% | 0.287 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.1 | -36.8 | 177.8 | -74.2 | 166.2 | 58 | 82.2 | 15.5 | 112.5 | L952 E953 S958 D978 Y980 | L952-R956 HydrophobicContact CD1-CG 4.17Å; L952-R956 HydrophobicContact CG-CG 4.48Å; L952-R956 WeakPolarHBondContact O-CB 3.43Å; L952-R956 VanDerWaalsContact O-CG 3.23Å; L952-R956 WeakPolarHBondContact O-CG 3.34Å; L952-R956 PolarHBondContact O-N 2.97Å; E953-R956 PolarHBondContact O-N 3.22Å; E953-R956 IonicContact OE2-NE 2.67Å; R956-S958 PolarHBondContact O-N 3.49Å; R956-D978 IonicContact CZ-OD1 2.88Å; R956-D978 IonicContact NE-OD1 3.58Å; R956-D978 VanDerWaalsContact NH1-CG 3.32Å; R956-D978 IonicContact NH1-OD1 2.85Å; R956-D978 PolarHBondContact NH1-OD1 2.83Å; R956-D978 IonicContact NH1-OD2 3.31Å; R956-D978 PolarHBondContact NH1-OD2 3.49Å; R956-Y980 HydrophobicContact CG-CD2 4.39Å; R956-Y980 HydrophobicContact CG-CG 4.48Å |
| 957 | N | 93.1 | Very high | 92.5 | Very high | 80 Ų | 80 | 80 Ų | 80 | 43% | 0.428 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 14.8 | 173 | -73.4 | -79.7 | 0 | 0 | 0 | 113.9 | E953 F955 R959 | E953-N957 WeakPolarHBondContact O-CB 3.4Å; E953-N957 PolarHBondContact O-N 2.86Å; E953-N957 PolarHBondContact O-ND2 3.32Å; E953-N957 PolarHBondContact OE1-ND2 3.49Å; F955-N957 VanDerWaalsContact C-N 3.27Å; F955-N957 PolarHBondContact O-N 2.9Å; N957-R959 HydrophobicContact CB-CG 4.14Å; N957-R959 PolarHBondContact O-N 3.04Å; N957-R959 VanDerWaalsContact O-N 3.14Å |
| 958 | S | 90.8 | Very high | 93.3 | Very high | 103 Ų | 103 | 71.5 Ų | 71.5 | 72% | 0.72 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 24.4 | 177.8 | -57 | 0 | 0 | 0 | 0 | 115 | E954 F955 R956 | E954-S958 PolarHBondContact O-N 2.88Å; F955-S958 WeakPolarHBondContact O-CA 3.41Å; F955-S958 PolarHBondContact O-N 3.07Å; R956-S958 PolarHBondContact O-N 3.49Å |
| 959 | R | 91 | Very high | 93.5 | Very high | 165 Ų | 165 | 68.4 Ų | 68.4 | 62% | 0.623 | 35% | 0.349 | S | S | * | . | trans | -83.8 | -13.4 | -179.6 | -55.4 | -176.3 | -178.3 | 171.2 | 2.8 | 113.2 | E954 N957 P961 | E954-R959 HydrophobicContact CB-CB 4.28Å; E954-R959 WeakPolarHBondContact O-CB 3.25Å; E954-R959 PolarHBondContact O-N 3.42Å; N957-R959 HydrophobicContact CB-CG 4.14Å; N957-R959 PolarHBondContact O-N 3.04Å; N957-R959 VanDerWaalsContact O-N 3.14Å; R959-P961 VanDerWaalsContact O-CD 3.29Å; R959-P961 WeakPolarHBondContact O-CD 3.33Å | ||
| 960 | L | 89.4 | Confident | 93.5 | Very high | 46 Ų | 46 | 74 Ų | 74 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | trans | -119.6 | 65.6 | -176.2 | -56.9 | 177.1 | 0 | 0 | 0 | 111.3 | L951 E954 F955 C962 L963 | L951-L960 HydrophobicContact CD1-CD1 3.79Å; E954-L960 HydrophobicContact CB-CD1 3.9Å; E954-L960 HydrophobicContact CB-CG 4.07Å; F955-L960 HydrophobicContact CB-CD1 4.33Å; L960-C962 VanDerWaalsContact C-N 3.31Å; L960-C962 PolarHBondContact O-N 3.11Å; L960-L963 HydrophobicContact CB-CB 4.41Å; L960-L963 HydrophobicContact CB-CD1 4.37Å; L960-L963 HydrophobicContact CB-CD2 4.41Å; L960-L963 HydrophobicContact CD1-CD1 4.3Å; L960-L963 HydrophobicContact CD1-CD2 4.5Å | ||
| 961 | P | 86.2 | Confident | 93.6 | Very high | 115 Ų | 115 | 68.1 Ų | 68.1 | 75% | 0.747 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -23.9 | -173.1 | 28.6 | -36.5 | 0 | 0 | 0 | 114.2 | R959 | R959-P961 VanDerWaalsContact O-CD 3.29Å; R959-P961 WeakPolarHBondContact O-CD 3.33Å |
| 962 | C | 89.7 | Confident | 93.7 | Very high | 114 Ų | 114 | 66.2 Ų | 66.2 | 77% | 0.77 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 15.6 | -176 | -59.5 | 0 | 0 | 0 | 0 | 113.8 | L960 | L960-C962 VanDerWaalsContact C-N 3.31Å; L960-C962 PolarHBondContact O-N 3.11Å |
| 963 | L | 92.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | trans | -59.7 | 144.4 | -174.4 | -159 | 64.6 | 0 | 0 | 0 | 112 | L951 F955 L960 D967 L968 F975 F984 K988 | L951-L963 HydrophobicContact CD1-CD1 4.37Å; F955-L963 HydrophobicContact CB-CD2 4.11Å; F955-L963 HydrophobicContact CD2-CD2 3.61Å; F955-L963 HydrophobicContact CE2-CD2 4.34Å; F955-L963 HydrophobicContact CG-CD2 3.99Å; L960-L963 HydrophobicContact CB-CB 4.41Å; L960-L963 HydrophobicContact CB-CD1 4.37Å; L960-L963 HydrophobicContact CB-CD2 4.41Å; L960-L963 HydrophobicContact CD1-CD1 4.3Å; L960-L963 HydrophobicContact CD1-CD2 4.5Å; L963-D967 HydrophobicContact CD1-CB 3.44Å; L963-D967 VanDerWaalsContact CD1-CB 3.44Å; L963-D967 HydrophobicContact CG-CB 4.25Å; L963-L968 HydrophobicContact CD2-CD2 3.7Å; L963-L968 HydrophobicContact CG-CD2 4.16Å; L963-F975 HydrophobicContact CD2-CE1 4.12Å; L963-F975 HydrophobicContact CD2-CZ 4.35Å; L963-F984 HydrophobicContact CB-CE2 3.98Å; L963-F984 HydrophobicContact CB-CZ 3.75Å; L963-F984 HydrophobicContact CD2-CE1 4.47Å; L963-F984 HydrophobicContact CD2-CZ 4.15Å; L963-F984 HydrophobicContact CG-CE1 4.49Å; L963-F984 HydrophobicContact CG-CZ 3.92Å; L963-F984 VanDerWaalsContact O-CZ 3.3Å; L963-F984 WeakPolarHBondContact O-CZ 3.43Å; L963-K988 WeakPolarHBondContact O-CE 3.49Å; L963-K988 PolarHBondContact O-NZ 3.03Å | ||
| 964 | T | 94.4 | Very high | 93.9 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 36% | 0.356 | 35% | 0.346 | S | S | . | . | trans | -118.6 | 176 | 177 | 74 | 0 | 0 | 0 | 0 | 111.3 | H966 D967 | T964-H966 VanDerWaalsContact C-N 3.31Å; T964-H966 PolarHBondContact OG1-N 3.26Å; T964-D967 WeakPolarHBondContact CA-OD2 3.49Å; T964-D967 VanDerWaalsContact CB-OD2 3.27Å; T964-D967 WeakPolarHBondContact CB-OD2 3.44Å; T964-D967 WeakPolarHBondContact CG2-OD2 3.48Å; T964-D967 PolarHBondContact N-OD2 2.87Å; T964-D967 VanDerWaalsContact OG1-CG 3.26Å; T964-D967 PolarHBondContact OG1-N 3.21Å; T964-D967 PolarHBondContact OG1-OD2 3.14Å | ||
| 965 | L | 95.7 | Very high | 94.1 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -70.2 | -28.5 | 172.4 | -69.6 | 171.8 | 0 | 0 | 0 | 112.5 | L968 M969 I985 K988 L989 A992 D996 V1000 | L965-L968 PolarHBondContact O-N 3.47Å; L965-M969 WeakPolarHBondContact O-CE 3.14Å; L965-I985 HydrophobicContact CD2-CB 4.5Å; L965-I985 HydrophobicContact CD2-CG1 4.2Å; L965-I985 HydrophobicContact CD2-CG2 4.44Å; L965-K988 HydrophobicContact CD1-CB 3.83Å; L965-K988 HydrophobicContact CD2-CB 3.8Å; L965-K988 HydrophobicContact CD2-CG 4.48Å; L965-K988 HydrophobicContact CG-CB 3.63Å; L965-K988 HydrophobicContact CG-CG 4.37Å; L965-L989 HydrophobicContact CD1-CD2 4.22Å; L965-A992 HydrophobicContact CD1-CB 3.66Å; L965-D996 HydrophobicContact CD1-CB 4.3Å; L965-V1000 HydrophobicContact CB-CG2 4.01Å; L965-V1000 HydrophobicContact CD1-CG2 4.1Å; L965-V1000 HydrophobicContact CD2-CG2 4.05Å; L965-V1000 HydrophobicContact CG-CG2 4.26Å |
| 966 | H | 93.5 | Very high | 94.2 | Very high | 126 Ų | 126 | 62 Ų | 62 | 58% | 0.583 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -70.8 | -33.7 | 178.8 | -169 | 79.3 | 0 | 0 | 0 | 111.9 | T964 L968 M969 | T964-H966 VanDerWaalsContact C-N 3.31Å; T964-H966 PolarHBondContact OG1-N 3.26Å; H966-L968 PolarHBondContact O-N 3.12Å; H966-M969 VanDerWaalsContact O-CG 3.24Å; H966-M969 WeakPolarHBondContact O-CG 3.45Å; H966-M969 PolarHBondContact O-N 2.71Å |
| 967 | D | 94.8 | Very high | 94.4 | Very high | 79 Ų | 79 | 62.8 Ų | 62.8 | 42% | 0.422 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -68 | -14.9 | 175.3 | -54 | -57.1 | 0 | 0 | 0 | 113.2 | L951 L963 T964 | L951-D967 WeakPolarHBondContact CD2-O 2.8Å; L963-D967 HydrophobicContact CD1-CB 3.44Å; L963-D967 VanDerWaalsContact CD1-CB 3.44Å; L963-D967 HydrophobicContact CG-CB 4.25Å; T964-D967 WeakPolarHBondContact CA-OD2 3.49Å; T964-D967 VanDerWaalsContact CB-OD2 3.27Å; T964-D967 WeakPolarHBondContact CB-OD2 3.44Å; T964-D967 WeakPolarHBondContact CG2-OD2 3.48Å; T964-D967 PolarHBondContact N-OD2 2.87Å; T964-D967 VanDerWaalsContact OG1-CG 3.26Å; T964-D967 PolarHBondContact OG1-N 3.21Å; T964-D967 PolarHBondContact OG1-OD2 3.14Å |
| 968 | L | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -93.3 | 2.1 | 179.1 | -63.4 | -167.5 | 0 | 0 | 0 | 114.3 | L951 L963 L965 H966 N970 H971 I972 F975 F984 I985 | L951-L968 HydrophobicContact CD2-CD2 3.96Å; L951-L968 HydrophobicContact CG-CD2 4.45Å; L963-L968 HydrophobicContact CD2-CD2 3.7Å; L963-L968 HydrophobicContact CG-CD2 4.16Å; L965-L968 PolarHBondContact O-N 3.47Å; H966-L968 PolarHBondContact O-N 3.12Å; L968-N970 PolarHBondContact O-N 3.24Å; L968-H971 CarbonylContact O-C 3.16Å; L968-H971 VanDerWaalsContact O-CA 3.31Å; L968-H971 WeakPolarHBondContact O-CA 3.48Å; L968-H971 WeakPolarHBondContact O-CB 3.25Å; L968-H971 PolarHBondContact O-N 3.42Å; L968-I972 HydrophobicContact CB-CD1 3.45Å; L968-I972 VanDerWaalsContact CB-CD1 3.45Å; L968-I972 HydrophobicContact CB-CG1 4.23Å; L968-I972 HydrophobicContact CD1-CD1 4.07Å; L968-I972 HydrophobicContact CG-CD1 4.39Å; L968-I972 PolarHBondContact O-N 3.41Å; L968-I972 VanDerWaalsContact O-N 3.07Å; L968-F975 HydrophobicContact CD1-CB 4.21Å; L968-F975 HydrophobicContact CD1-CD1 3.55Å; L968-F975 HydrophobicContact CD1-CE1 4.05Å; L968-F975 HydrophobicContact CD1-CG 3.89Å; L968-F975 HydrophobicContact CD2-CD1 3.7Å; L968-F975 HydrophobicContact CD2-CD2 4.06Å; L968-F975 HydrophobicContact CD2-CE1 3.37Å; L968-F975 HydrophobicContact CD2-CE2 3.73Å; L968-F975 HydrophobicContact CD2-CG 4.05Å; L968-F975 HydrophobicContact CD2-CZ 3.38Å; L968-F975 HydrophobicContact CG-CD1 4.29Å; L968-F975 HydrophobicContact CG-CE1 4.37Å; L968-F984 HydrophobicContact CD1-CD1 3.78Å; L968-F984 HydrophobicContact CD1-CE1 3.56Å; L968-F984 HydrophobicContact CG-CE1 4.13Å; L968-I985 HydrophobicContact CD1-CD1 4.32Å; L968-I985 HydrophobicContact CD1-CG1 3.95Å |
| 969 | M | 94.3 | Very high | 95 | Very high | 49 Ų | 49 | 58.6 Ų | 58.6 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 134.3 | -177.3 | -67.5 | -69.4 | 99.6 | 0 | 0 | 111.8 | L965 H966 H971 I972 V1000 | L965-M969 WeakPolarHBondContact O-CE 3.14Å; H966-M969 VanDerWaalsContact O-CG 3.24Å; H966-M969 WeakPolarHBondContact O-CG 3.45Å; H966-M969 PolarHBondContact O-N 2.71Å; M969-H971 PolarHBondContact O-N 2.92Å; M969-I972 HydrophobicContact CE-CD1 3.89Å; M969-I972 HydrophobicContact CE-CG1 3.67Å; M969-V1000 HydrophobicContact CE-CG2 4.17Å |
| 970 | N | 95.2 | Very high | 95.2 | Very high | 141 Ų | 141 | 56.2 Ų | 56.2 | 75% | 0.754 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 1.9 | -168.4 | -39.6 | -88.3 | 0 | 0 | 0 | 115.4 | L968 E1003 | L968-N970 PolarHBondContact O-N 3.24Å; N970-E1003 WeakPolarHBondContact CA-OE1 3.09Å; N970-E1003 WeakPolarHBondContact CA-OE2 3.39Å; N970-E1003 PolarHBondContact N-OE2 2.7Å |
| 971 | H | 97.1 | Very high | 95.6 | Very high | 62 Ų | 62 | 54 Ų | 54 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 4.1 | 175.8 | -70 | -82.7 | 0 | 0 | 0 | 113.1 | S949 L951 L968 M969 V973 E974 F975 E1003 | S949-H971 VanDerWaalsContact CB-CE1 3.43Å; S949-H971 WeakPolarHBondContact CB-CE1 3.43Å; S949-H971 PolarHBondContact OG-ND1 3.27Å; L951-H971 HydrophobicContact CD2-CB 3.91Å; L968-H971 CarbonylContact O-C 3.16Å; L968-H971 VanDerWaalsContact O-CA 3.31Å; L968-H971 WeakPolarHBondContact O-CA 3.48Å; L968-H971 WeakPolarHBondContact O-CB 3.25Å; L968-H971 PolarHBondContact O-N 3.42Å; M969-H971 PolarHBondContact O-N 2.92Å; H971-V973 VanDerWaalsContact C-N 3.29Å; H971-V973 PolarHBondContact O-N 2.74Å; H971-E974 IonicContact CE1-OE2 3.29Å; H971-E974 IonicContact CG-OE2 2.71Å; H971-E974 IonicContact ND1-OE2 3.01Å; H971-E974 PolarHBondContact ND1-OE2 3.15Å; H971-E974 PolarHBondContact O-N 2.79Å; H971-F975 HydrophobicContact CB-CD2 4.09Å; H971-F975 HydrophobicContact CB-CE2 4.29Å; H971-F975 WeakPolarHBondContact O-CB 3.48Å; H971-F975 WeakPolarHBondContact O-CD2 3.48Å; H971-F975 PolarHBondContact O-N 3.46Å; H971-E1003 PolarHBondContact N-OE1 3.48Å; H971-E1003 VanDerWaalsContact N-OE1 3.15Å |
| 972 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.7 | -42.1 | -179.5 | -66.7 | -68 | 0 | 0 | 0 | 110.7 | L968 M969 F975 A976 I985 V1000 E1003 I1004 | L968-I972 HydrophobicContact CB-CD1 3.45Å; L968-I972 VanDerWaalsContact CB-CD1 3.45Å; L968-I972 HydrophobicContact CB-CG1 4.23Å; L968-I972 HydrophobicContact CD1-CD1 4.07Å; L968-I972 HydrophobicContact CG-CD1 4.39Å; L968-I972 PolarHBondContact O-N 3.41Å; L968-I972 VanDerWaalsContact O-N 3.07Å; M969-I972 HydrophobicContact CE-CD1 3.89Å; M969-I972 HydrophobicContact CE-CG1 3.67Å; I972-F975 PolarHBondContact O-N 3.37Å; I972-A976 VanDerWaalsContact O-CB 3.23Å; I972-A976 WeakPolarHBondContact O-CB 3.41Å; I972-A976 PolarHBondContact O-N 2.92Å; I972-I985 HydrophobicContact CD1-CD1 4.46Å; I972-I985 HydrophobicContact CG2-CD1 4.2Å; I972-I985 WeakPolarHBondContact O-CD1 3.03Å; I972-V1000 HydrophobicContact CD1-CG1 4.33Å; I972-V1000 HydrophobicContact CD1-CG2 3.81Å; I972-V1000 HydrophobicContact CG1-CG2 4.43Å; I972-V1000 HydrophobicContact CG2-CG1 3.75Å; I972-E1003 HydrophobicContact CB-CB 4.27Å; I972-E1003 HydrophobicContact CB-CG 4.35Å; I972-E1003 WeakPolarHBondContact CB-OE1 3.36Å; I972-E1003 WeakPolarHBondContact CG1-OE2 3.38Å; I972-E1003 PolarHBondContact N-OE1 3.21Å; I972-I1004 HydrophobicContact CG2-CG2 3.47Å; I972-I1004 VanDerWaalsContact CG2-CG2 3.47Å |
| 973 | V | 98.1 | Very high | 96.5 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 12% | 0.121 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -44.2 | -178.8 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | H971 A976 Q977 E1003 H1007 | H971-V973 VanDerWaalsContact C-N 3.29Å; H971-V973 PolarHBondContact O-N 2.74Å; V973-A976 PolarHBondContact O-N 3.16Å; V973-Q977 WeakPolarHBondContact O-CG 3.41Å; V973-Q977 PolarHBondContact O-N 3.14Å; V973-Q977 VanDerWaalsContact O-N 3.12Å; V973-E1003 HydrophobicContact CG2-CG 4.19Å; V973-E1003 WeakPolarHBondContact CG2-O 3.24Å; V973-H1007 HydrophobicContact CG1-CB 4.05Å; V973-H1007 HydrophobicContact CG2-CB 4.41Å; V973-H1007 WeakPolarHBondContact CG2-ND1 3.23Å |
| 974 | E | 97.8 | Very high | 96.8 | Very high | 51 Ų | 51 | 51 Ų | 51 | 24% | 0.238 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 176.1 | -170.3 | -158.6 | 170.3 | 0 | 0 | 111.4 | S949 L952 H971 A976 Q977 D978 | S949-E974 WeakPolarHBondContact CB-OE1 3.09Å; S949-E974 WeakPolarHBondContact CB-OE2 3.27Å; S949-E974 PolarHBondContact N-OE1 2.9Å; S949-E974 VanDerWaalsContact OG-CD 3.23Å; S949-E974 PolarHBondContact OG-OE1 2.98Å; S949-E974 VanDerWaalsContact OG-OE1 3.08Å; S949-E974 PolarHBondContact OG-OE2 3.13Å; L952-E974 HydrophobicContact CD2-CG 4.01Å; L952-E974 WeakPolarHBondContact CD2-OE1 3.2Å; H971-E974 IonicContact CE1-OE2 3.29Å; H971-E974 IonicContact CG-OE2 2.71Å; H971-E974 IonicContact ND1-OE2 3.01Å; H971-E974 PolarHBondContact ND1-OE2 3.15Å; H971-E974 PolarHBondContact O-N 2.79Å; E974-A976 VanDerWaalsContact C-N 3.35Å; E974-A976 PolarHBondContact O-N 2.9Å; E974-Q977 CarbonylContact O-C 3.07Å; E974-Q977 PolarHBondContact O-N 3.5Å; E974-D978 PolarHBondContact O-N 3.25Å |
| 975 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 175.9 | -90 | -117.8 | 0 | 0 | 0 | 111.3 | L951 L952 F955 L963 L968 H971 I972 Q977 D978 G981 S982 I985 | L951-F975 HydrophobicContact CB-CE2 4.43Å; L951-F975 HydrophobicContact CD2-CE2 4.06Å; L951-F975 HydrophobicContact CD2-CZ 4.39Å; L951-F975 HydrophobicContact CG-CE2 4Å; L951-F975 HydrophobicContact CG-CZ 4.02Å; L952-F975 VanDerWaalsContact CA-CE2 3.5Å; L952-F975 VanDerWaalsContact CA-CZ 3.5Å; L952-F975 HydrophobicContact CB-CD2 4.09Å; L952-F975 HydrophobicContact CB-CE2 3.54Å; L952-F975 HydrophobicContact CB-CZ 4.01Å; L952-F975 HydrophobicContact CD1-CD1 4.08Å; L952-F975 HydrophobicContact CD1-CD2 3.93Å; L952-F975 HydrophobicContact CD1-CE1 3.98Å; L952-F975 HydrophobicContact CD1-CE2 3.87Å; L952-F975 HydrophobicContact CD1-CG 4.04Å; L952-F975 HydrophobicContact CD1-CZ 3.88Å; L952-F975 HydrophobicContact CG-CD2 4.47Å; L952-F975 HydrophobicContact CG-CE2 4.26Å; F955-F975 HydrophobicContact CB-CE1 4.04Å; F955-F975 HydrophobicContact CB-CZ 3.98Å; F955-F975 HydrophobicContact CD1-CD1 4.34Å; F955-F975 AromaticContact CD1-CE1 3.56Å; F955-F975 HydrophobicContact CD1-CE1 3.56Å; F955-F975 HydrophobicContact CD1-CZ 4.27Å; F955-F975 HydrophobicContact CE1-CE1 4.22Å; F955-F975 AromaticContact CG-CE1 3.81Å; F955-F975 HydrophobicContact CG-CE1 3.81Å; F955-F975 HydrophobicContact CG-CZ 4.28Å; L963-F975 HydrophobicContact CD2-CE1 4.12Å; L963-F975 HydrophobicContact CD2-CZ 4.35Å; L968-F975 HydrophobicContact CD1-CB 4.21Å; L968-F975 HydrophobicContact CD1-CD1 3.55Å; L968-F975 HydrophobicContact CD1-CE1 4.05Å; L968-F975 HydrophobicContact CD1-CG 3.89Å; L968-F975 HydrophobicContact CD2-CD1 3.7Å; L968-F975 HydrophobicContact CD2-CD2 4.06Å; L968-F975 HydrophobicContact CD2-CE1 3.37Å; L968-F975 HydrophobicContact CD2-CE2 3.73Å; L968-F975 HydrophobicContact CD2-CG 4.05Å; L968-F975 HydrophobicContact CD2-CZ 3.38Å; L968-F975 HydrophobicContact CG-CD1 4.29Å; L968-F975 HydrophobicContact CG-CE1 4.37Å; H971-F975 HydrophobicContact CB-CD2 4.09Å; H971-F975 HydrophobicContact CB-CE2 4.29Å; H971-F975 WeakPolarHBondContact O-CB 3.48Å; H971-F975 WeakPolarHBondContact O-CD2 3.48Å; H971-F975 PolarHBondContact O-N 3.46Å; I972-F975 PolarHBondContact O-N 3.37Å; F975-Q977 PolarHBondContact O-N 3.31Å; F975-D978 PolarHBondContact O-N 2.86Å; F975-D978 VanDerWaalsContact O-O 3.14Å; F975-G981 CarbonylContact O-C 2.97Å; F975-G981 VanDerWaalsContact O-CA 3.24Å; F975-G981 WeakPolarHBondContact O-CA 3.37Å; F975-S982 PolarHBondContact O-N 2.94Å; F975-I985 HydrophobicContact CB-CD1 3.63Å |
| 976 | A | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -24.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I972 V973 E974 S982 I985 L1011 F1016 G1017 V1020 | I972-A976 VanDerWaalsContact O-CB 3.23Å; I972-A976 WeakPolarHBondContact O-CB 3.41Å; I972-A976 PolarHBondContact O-N 2.92Å; V973-A976 PolarHBondContact O-N 3.16Å; E974-A976 VanDerWaalsContact C-N 3.35Å; E974-A976 PolarHBondContact O-N 2.9Å; A976-S982 WeakPolarHBondContact O-CB 3.44Å; A976-I985 HydrophobicContact CB-CD1 4.22Å; A976-L1011 HydrophobicContact CB-CD2 3.9Å; A976-F1016 CarbonylContact O-C 3.52Å; A976-F1016 VanDerWaalsContact O-C 3.22Å; A976-F1016 WeakPolarHBondContact O-CB 3.39Å; A976-G1017 VanDerWaalsContact O-CA 3.25Å; A976-G1017 WeakPolarHBondContact O-CA 3.48Å; A976-G1017 PolarHBondContact O-N 3.34Å; A976-V1020 HydrophobicContact CB-CB 4.45Å; A976-V1020 HydrophobicContact CB-CG2 3.92Å |
| 977 | Q | 98.1 | Very high | 97.2 | Very high | 92 Ų | 92 | 48.7 Ų | 48.7 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 5 | 173.9 | -62.4 | -170.8 | -80.3 | 0 | 0 | 113.8 | V973 E974 F975 L1011 D1014 F1016 | V973-Q977 WeakPolarHBondContact O-CG 3.41Å; V973-Q977 PolarHBondContact O-N 3.14Å; V973-Q977 VanDerWaalsContact O-N 3.12Å; E974-Q977 CarbonylContact O-C 3.07Å; E974-Q977 PolarHBondContact O-N 3.5Å; F975-Q977 PolarHBondContact O-N 3.31Å; Q977-L1011 HydrophobicContact CG-CD2 3.7Å; Q977-D1014 PolarHBondContact NE2-OD1 2.84Å; Q977-F1016 WeakPolarHBondContact O-CD2 3.31Å |
| 978 | D | 97.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -109.3 | 142 | 170 | -169.9 | 94 | 0 | 0 | 0 | 111.5 | R948 L952 R956 E974 F975 Y980 G981 S982 | R948-D978 IonicContact CZ-OD1 3.72Å; R948-D978 VanDerWaalsContact CZ-OD1 3.31Å; R948-D978 IonicContact NE-OD1 2.75Å; R948-D978 PolarHBondContact NE-OD1 2.91Å; R948-D978 IonicContact NH2-OD1 3.21Å; R948-D978 PolarHBondContact NH2-OD1 3.31Å; L952-D978 HydrophobicContact CD1-CB 3.91Å; L952-D978 HydrophobicContact CD2-CB 3.74Å; L952-D978 HydrophobicContact CG-CB 4.43Å; R956-D978 IonicContact CZ-OD1 2.88Å; R956-D978 IonicContact NE-OD1 3.58Å; R956-D978 VanDerWaalsContact NH1-CG 3.32Å; R956-D978 IonicContact NH1-OD1 2.85Å; R956-D978 PolarHBondContact NH1-OD1 2.83Å; R956-D978 IonicContact NH1-OD2 3.31Å; R956-D978 PolarHBondContact NH1-OD2 3.49Å; E974-D978 PolarHBondContact O-N 3.25Å; F975-D978 PolarHBondContact O-N 2.86Å; F975-D978 VanDerWaalsContact O-O 3.14Å; D978-Y980 PolarHBondContact O-N 3.11Å; D978-Y980 PolarHBondContact OD2-N 3.29Å; D978-G981 PolarHBondContact O-N 3.3Å; D978-S982 VanDerWaalsContact O-CB 3.25Å; D978-S982 WeakPolarHBondContact O-CB 3.49Å; D978-S982 PolarHBondContact O-N 2.92Å |
| 979 | Q | 97.5 | Very high | 97.4 | Very high | 89 Ų | 89 | 48.6 Ų | 48.6 | 42% | 0.416 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.3 | -37.2 | -179.3 | -170 | -176.8 | 24 | 0 | 0 | 113.6 | R983 F1016 | Q979-R983 WeakPolarHBondContact O-CD 3.1Å; Q979-R983 VanDerWaalsContact O-CG 3.3Å; Q979-R983 WeakPolarHBondContact O-CG 2.99Å; Q979-F1016 HydrophobicContact CB-CD1 4.17Å; Q979-F1016 HydrophobicContact CB-CD2 4.37Å; Q979-F1016 HydrophobicContact CB-CE1 3.77Å; Q979-F1016 HydrophobicContact CB-CE2 3.98Å; Q979-F1016 HydrophobicContact CB-CG 4.46Å; Q979-F1016 HydrophobicContact CB-CZ 3.67Å; Q979-F1016 HydrophobicContact CG-CD1 4.28Å; Q979-F1016 HydrophobicContact CG-CE1 3.74Å; Q979-F1016 HydrophobicContact CG-CZ 4.03Å |
| 980 | Y | 96.1 | Very high | 97.5 | Very high | 116 Ų | 116 | 51.4 Ų | 51.4 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -87.1 | -41.8 | -179.7 | -64.7 | -98.4 | 0 | 0 | 0 | 110.7 | R956 D978 S982 R983 F984 | R956-Y980 HydrophobicContact CG-CD2 4.39Å; R956-Y980 HydrophobicContact CG-CG 4.48Å; D978-Y980 PolarHBondContact O-N 3.11Å; D978-Y980 PolarHBondContact OD2-N 3.29Å; Y980-S982 PolarHBondContact O-N 2.92Å; Y980-R983 PolarHBondContact O-N 2.63Å; Y980-F984 WeakPolarHBondContact O-CB 3.28Å; Y980-F984 PolarHBondContact O-N 3.42Å |
| 981 | G | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F975 D978 F984 I985 | F975-G981 CarbonylContact O-C 2.97Å; F975-G981 VanDerWaalsContact O-CA 3.24Å; F975-G981 WeakPolarHBondContact O-CA 3.37Å; D978-G981 PolarHBondContact O-N 3.3Å; G981-F984 WeakPolarHBondContact O-CB 3.34Å; G981-F984 PolarHBondContact O-N 3.46Å; G981-I985 WeakPolarHBondContact O-CG1 3.38Å; G981-I985 PolarHBondContact O-N 3.4Å |
| 982 | S | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 177.7 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | F975 A976 D978 Y980 F984 I985 Q986 F1016 | F975-S982 PolarHBondContact O-N 2.94Å; A976-S982 WeakPolarHBondContact O-CB 3.44Å; D978-S982 VanDerWaalsContact O-CB 3.25Å; D978-S982 WeakPolarHBondContact O-CB 3.49Å; D978-S982 PolarHBondContact O-N 2.92Å; Y980-S982 PolarHBondContact O-N 2.92Å; S982-F984 VanDerWaalsContact C-N 3.32Å; S982-F984 PolarHBondContact O-N 3.3Å; S982-I985 PolarHBondContact O-N 3.25Å; S982-Q986 WeakPolarHBondContact O-CG 3.35Å; S982-Q986 PolarHBondContact O-N 2.87Å; S982-Q986 PolarHBondContact O-NE2 3.12Å; S982-Q986 PolarHBondContact OG-NE2 2.82Å; S982-F1016 PolarHBondContact OG-O 3.44Å |
| 983 | R | 97.6 | Very high | 97.2 | Very high | 155 Ų | 155 | 53.7 Ų | 53.7 | 59% | 0.585 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.1 | -41.8 | 176.2 | -75.1 | 179.4 | 176.4 | -78.4 | 1.5 | 112 | Q979 Y980 Q986 Q987 | Q979-R983 WeakPolarHBondContact O-CD 3.1Å; Q979-R983 VanDerWaalsContact O-CG 3.3Å; Q979-R983 WeakPolarHBondContact O-CG 2.99Å; Y980-R983 PolarHBondContact O-N 2.63Å; R983-Q986 PolarHBondContact O-N 3.41Å; R983-Q987 WeakPolarHBondContact O-CB 3.31Å; R983-Q987 WeakPolarHBondContact O-CG 3.49Å; R983-Q987 PolarHBondContact O-N 2.84Å |
| 984 | F | 97.4 | Very high | 97 | Very high | 20 Ų | 20 | 57.2 Ų | 57.2 | 9% | 0.088 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 174.7 | 172.3 | -87.7 | 0 | 0 | 0 | 112.1 | F955 L963 L968 Y980 G981 S982 Q986 Q987 K988 | F955-F984 HydrophobicContact CE1-CB 4.11Å; F955-F984 HydrophobicContact CE1-CG 4.48Å; F955-F984 HydrophobicContact CE2-CB 4.49Å; F955-F984 AromaticContact CE2-CD2 3.67Å; F955-F984 HydrophobicContact CE2-CD2 3.67Å; F955-F984 HydrophobicContact CE2-CE2 4.11Å; F955-F984 HydrophobicContact CE2-CG 4.19Å; F955-F984 HydrophobicContact CZ-CB 3.67Å; F955-F984 AromaticContact CZ-CD2 3.69Å; F955-F984 HydrophobicContact CZ-CD2 3.69Å; F955-F984 AromaticContact CZ-CG 3.82Å; F955-F984 HydrophobicContact CZ-CG 3.82Å; L963-F984 HydrophobicContact CB-CE2 3.98Å; L963-F984 HydrophobicContact CB-CZ 3.75Å; L963-F984 HydrophobicContact CD2-CE1 4.47Å; L963-F984 HydrophobicContact CD2-CZ 4.15Å; L963-F984 HydrophobicContact CG-CE1 4.49Å; L963-F984 HydrophobicContact CG-CZ 3.92Å; L963-F984 VanDerWaalsContact O-CZ 3.3Å; L963-F984 WeakPolarHBondContact O-CZ 3.43Å; L968-F984 HydrophobicContact CD1-CD1 3.78Å; L968-F984 HydrophobicContact CD1-CE1 3.56Å; L968-F984 HydrophobicContact CG-CE1 4.13Å; Y980-F984 WeakPolarHBondContact O-CB 3.28Å; Y980-F984 PolarHBondContact O-N 3.42Å; G981-F984 WeakPolarHBondContact O-CB 3.34Å; G981-F984 PolarHBondContact O-N 3.46Å; S982-F984 VanDerWaalsContact C-N 3.32Å; S982-F984 PolarHBondContact O-N 3.3Å; F984-Q986 PolarHBondContact O-N 3.01Å; F984-Q987 PolarHBondContact O-N 3.14Å; F984-K988 HydrophobicContact CD1-CG 4.25Å; F984-K988 HydrophobicContact CD2-CG 4.37Å; F984-K988 HydrophobicContact CE1-CG 3.94Å; F984-K988 HydrophobicContact CE2-CD 4.39Å; F984-K988 HydrophobicContact CE2-CG 4.09Å; F984-K988 HydrophobicContact CG-CG 4.46Å; F984-K988 HydrophobicContact CZ-CD 4.31Å; F984-K988 VanDerWaalsContact CZ-CE 3.48Å; F984-K988 HydrophobicContact CZ-CG 3.87Å; F984-K988 WeakPolarHBondContact O-CB 3.38Å; F984-K988 VanDerWaalsContact O-CG 3.28Å; F984-K988 WeakPolarHBondContact O-CG 3.5Å; F984-K988 PolarHBondContact O-N 2.81Å |
| 985 | I | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 176.6 | -70.9 | 165.7 | 0 | 0 | 0 | 110.4 | L965 L968 I972 F975 A976 G981 S982 Q987 K988 L989 V1000 V1020 | L965-I985 HydrophobicContact CD2-CB 4.5Å; L965-I985 HydrophobicContact CD2-CG1 4.2Å; L965-I985 HydrophobicContact CD2-CG2 4.44Å; L968-I985 HydrophobicContact CD1-CD1 4.32Å; L968-I985 HydrophobicContact CD1-CG1 3.95Å; I972-I985 HydrophobicContact CD1-CD1 4.46Å; I972-I985 HydrophobicContact CG2-CD1 4.2Å; I972-I985 WeakPolarHBondContact O-CD1 3.03Å; F975-I985 HydrophobicContact CB-CD1 3.63Å; A976-I985 HydrophobicContact CB-CD1 4.22Å; G981-I985 WeakPolarHBondContact O-CG1 3.38Å; G981-I985 PolarHBondContact O-N 3.4Å; S982-I985 PolarHBondContact O-N 3.25Å; I985-Q987 PolarHBondContact O-N 3.01Å; I985-K988 PolarHBondContact O-N 3.45Å; I985-L989 HydrophobicContact CG2-CD1 3.67Å; I985-L989 HydrophobicContact CG2-CG 4.13Å; I985-L989 WeakPolarHBondContact O-CB 3.46Å; I985-L989 VanDerWaalsContact O-CG 3.24Å; I985-L989 WeakPolarHBondContact O-CG 3.44Å; I985-L989 PolarHBondContact O-N 3.05Å; I985-V1000 HydrophobicContact CG2-CG1 4.42Å; I985-V1020 HydrophobicContact CB-CG2 4.37Å; I985-V1020 HydrophobicContact CG2-CG1 3.8Å; I985-V1020 HydrophobicContact CG2-CG2 4.04Å |
| 986 | Q | 98.3 | Very high | 96.8 | Very high | 34 Ų | 34 | 62.2 Ų | 62.2 | 16% | 0.159 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56 | -50.3 | 177.7 | -67.9 | 164.8 | 54.8 | 0 | 0 | 111.9 | S982 R983 F984 L989 Y1019 V1020 K1023 | S982-Q986 WeakPolarHBondContact O-CG 3.35Å; S982-Q986 PolarHBondContact O-N 2.87Å; S982-Q986 PolarHBondContact O-NE2 3.12Å; S982-Q986 PolarHBondContact OG-NE2 2.82Å; R983-Q986 PolarHBondContact O-N 3.41Å; F984-Q986 PolarHBondContact O-N 3.01Å; Q986-L989 PolarHBondContact O-N 3.15Å; Q986-Y1019 VanDerWaalsContact CD-CB 3.48Å; Q986-Y1019 VanDerWaalsContact NE2-CB 3.29Å; Q986-V1020 HydrophobicContact CG-CG2 4.47Å; Q986-K1023 HydrophobicContact CB-CG 4.14Å; Q986-K1023 HydrophobicContact CG-CG 4Å |
| 987 | Q | 96.9 | Very high | 96.7 | Very high | 109 Ų | 109 | 63.8 Ų | 63.8 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 179 | -73.8 | 175.3 | -30.4 | 0 | 0 | 112.5 | R983 F984 I985 | R983-Q987 WeakPolarHBondContact O-CB 3.31Å; R983-Q987 WeakPolarHBondContact O-CG 3.49Å; R983-Q987 PolarHBondContact O-N 2.84Å; F984-Q987 PolarHBondContact O-N 3.14Å; I985-Q987 PolarHBondContact O-N 3.01Å |
| 988 | K | 96.5 | Very high | 96.7 | Very high | 75 Ų | 75 | 62.5 Ų | 62.5 | 33% | 0.326 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.7 | -35.5 | 178.7 | -67.8 | -70 | -169.6 | 170.2 | 0 | 112.1 | L963 L965 F984 I985 E990 Q991 A992 | L963-K988 WeakPolarHBondContact O-CE 3.49Å; L963-K988 PolarHBondContact O-NZ 3.03Å; L965-K988 HydrophobicContact CD1-CB 3.83Å; L965-K988 HydrophobicContact CD2-CB 3.8Å; L965-K988 HydrophobicContact CD2-CG 4.48Å; L965-K988 HydrophobicContact CG-CB 3.63Å; L965-K988 HydrophobicContact CG-CG 4.37Å; F984-K988 HydrophobicContact CD1-CG 4.25Å; F984-K988 HydrophobicContact CD2-CG 4.37Å; F984-K988 HydrophobicContact CE1-CG 3.94Å; F984-K988 HydrophobicContact CE2-CD 4.39Å; F984-K988 HydrophobicContact CE2-CG 4.09Å; F984-K988 HydrophobicContact CG-CG 4.46Å; F984-K988 HydrophobicContact CZ-CD 4.31Å; F984-K988 VanDerWaalsContact CZ-CE 3.48Å; F984-K988 HydrophobicContact CZ-CG 3.87Å; F984-K988 WeakPolarHBondContact O-CB 3.38Å; F984-K988 VanDerWaalsContact O-CG 3.28Å; F984-K988 WeakPolarHBondContact O-CG 3.5Å; F984-K988 PolarHBondContact O-N 2.81Å; I985-K988 PolarHBondContact O-N 3.45Å; K988-E990 PolarHBondContact O-N 3.42Å; K988-Q991 CarbonylContact O-C 3.22Å; K988-Q991 PolarHBondContact O-N 3.26Å; K988-Q991 VanDerWaalsContact O-N 3.09Å; K988-A992 VanDerWaalsContact O-CB 3.27Å; K988-A992 WeakPolarHBondContact O-CB 3.19Å; K988-A992 PolarHBondContact O-N 3.08Å |
| 989 | L | 97.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -24 | 178.8 | -77.8 | 171.1 | 0 | 0 | 0 | 113.6 | L965 I985 Q986 Q991 K997 V1000 V1020 K1023 F1024 | L965-L989 HydrophobicContact CD1-CD2 4.22Å; I985-L989 HydrophobicContact CG2-CD1 3.67Å; I985-L989 HydrophobicContact CG2-CG 4.13Å; I985-L989 WeakPolarHBondContact O-CB 3.46Å; I985-L989 VanDerWaalsContact O-CG 3.24Å; I985-L989 WeakPolarHBondContact O-CG 3.44Å; I985-L989 PolarHBondContact O-N 3.05Å; Q986-L989 PolarHBondContact O-N 3.15Å; L989-Q991 VanDerWaalsContact C-N 3.33Å; L989-K997 HydrophobicContact CD2-CG 3.93Å; L989-K997 WeakPolarHBondContact O-CE 3.25Å; L989-K997 PolarHBondContact O-NZ 3.3Å; L989-V1000 HydrophobicContact CD2-CG1 4.37Å; L989-V1020 HydrophobicContact CD1-CG1 4.4Å; L989-K1023 HydrophobicContact CD1-CB 4.17Å; L989-F1024 HydrophobicContact CD1-CD2 4.14Å; L989-F1024 HydrophobicContact CD1-CE2 3.66Å; L989-F1024 HydrophobicContact CD1-CZ 4.21Å; L989-F1024 HydrophobicContact CD2-CE1 4.33Å; L989-F1024 HydrophobicContact CD2-CE2 3.96Å; L989-F1024 HydrophobicContact CD2-CZ 3.63Å |
| 990 | E | 96.2 | Very high | 96.6 | Very high | 108 Ų | 108 | 60 Ų | 60 | 51% | 0.505 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68 | -31.5 | 174.9 | -71.1 | 169.4 | 176.8 | 0 | 0 | 112.7 | K988 K1023 L1027 | K988-E990 PolarHBondContact O-N 3.42Å; E990-K1023 WeakPolarHBondContact OE1-CE 3.43Å; E990-K1023 IonicContact OE1-NZ 2.68Å; E990-K1023 PolarHBondContact OE1-NZ 3.2Å; E990-L1027 HydrophobicContact CB-CD1 4.43Å; E990-L1027 HydrophobicContact CG-CD1 3.66Å |
| 991 | Q | 94.1 | Very high | 96.8 | Very high | 179 Ų | 179 | 55 Ų | 55 | 84% | 0.836 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -112.2 | 0.2 | -177.5 | -59.5 | 176.8 | 8 | 0 | 0 | 113 | K988 L989 | K988-Q991 CarbonylContact O-C 3.22Å; K988-Q991 PolarHBondContact O-N 3.26Å; K988-Q991 VanDerWaalsContact O-N 3.09Å; L989-Q991 VanDerWaalsContact C-N 3.33Å |
| 992 | A | 94.4 | Very high | 96.8 | Very high | 18 Ų | 18 | 64.9 Ų | 64.9 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | trans | -71.5 | 142.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | L965 K988 D996 K997 | L965-A992 HydrophobicContact CD1-CB 3.66Å; K988-A992 VanDerWaalsContact O-CB 3.27Å; K988-A992 WeakPolarHBondContact O-CB 3.19Å; K988-A992 PolarHBondContact O-N 3.08Å; A992-D996 HydrophobicContact CB-CB 4.03Å; A992-K997 HydrophobicContact CB-CG 3.86Å; A992-K997 WeakPolarHBondContact O-CE 3.31Å | ||
| 993 | S | 95.3 | Very high | 96.7 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | trans | -65.9 | 162.5 | 170.8 | 78.8 | 0 | 0 | 0 | 0 | 111.3 | V995 D996 K997 | S993-V995 PolarHBondContact O-N 2.79Å; S993-V995 PolarHBondContact OG-N 2.93Å; S993-D996 VanDerWaalsContact CB-OD2 3.25Å; S993-D996 WeakPolarHBondContact CB-OD2 3.47Å; S993-D996 PolarHBondContact N-OD2 2.87Å; S993-D996 VanDerWaalsContact N-OD2 3.15Å; S993-D996 PolarHBondContact O-N 3.18Å; S993-D996 VanDerWaalsContact OG-CG 3.27Å; S993-D996 PolarHBondContact OG-N 2.87Å; S993-D996 VanDerWaalsContact OG-N 3.12Å; S993-D996 PolarHBondContact OG-OD2 3.5Å; S993-K997 WeakPolarHBondContact O-CB 3.31Å; S993-K997 WeakPolarHBondContact O-CG 3.43Å; S993-K997 PolarHBondContact O-N 3.17Å | ||
| 994 | V | 95.4 | Very high | 96.8 | Very high | 94 Ų | 94 | 59.2 Ų | 59.2 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59.3 | -30.3 | 173.9 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | T998 T1029 | V994-T998 VanDerWaalsContact O-CB 3.26Å; V994-T998 WeakPolarHBondContact O-CB 3.44Å; V994-T998 PolarHBondContact O-N 2.7Å; V994-T998 PolarHBondContact O-OG1 3.21Å; V994-T1029 HydrophobicContact CG1-CG2 4.08Å |
| 995 | V | 95.6 | Very high | 96.8 | Very high | 106 Ų | 106 | 59.7 Ų | 59.7 | 64% | 0.642 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -70.7 | -44.7 | 177.4 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | S993 T998 S999 | S993-V995 PolarHBondContact O-N 2.79Å; S993-V995 PolarHBondContact OG-N 2.93Å; V995-T998 PolarHBondContact O-N 3.05Å; V995-S999 WeakPolarHBondContact O-CB 3.48Å; V995-S999 PolarHBondContact O-N 3.09Å; V995-S999 PolarHBondContact O-OG 2.77Å |
| 996 | D | 95.6 | Very high | 96.8 | Very high | 51 Ų | 51 | 64 Ų | 64 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63 | -50.1 | 175.5 | -59.5 | -61 | 0 | 0 | 0 | 110.6 | L965 A992 S993 T998 S999 V1000 | L965-D996 HydrophobicContact CD1-CB 4.3Å; A992-D996 HydrophobicContact CB-CB 4.03Å; S993-D996 VanDerWaalsContact CB-OD2 3.25Å; S993-D996 WeakPolarHBondContact CB-OD2 3.47Å; S993-D996 PolarHBondContact N-OD2 2.87Å; S993-D996 VanDerWaalsContact N-OD2 3.15Å; S993-D996 PolarHBondContact O-N 3.18Å; S993-D996 VanDerWaalsContact OG-CG 3.27Å; S993-D996 PolarHBondContact OG-N 2.87Å; S993-D996 VanDerWaalsContact OG-N 3.12Å; S993-D996 PolarHBondContact OG-OD2 3.5Å; D996-T998 VanDerWaalsContact C-N 3.28Å; D996-T998 PolarHBondContact O-N 2.97Å; D996-S999 WeakPolarHBondContact O-CB 3.33Å; D996-S999 PolarHBondContact O-N 3.2Å; D996-S999 VanDerWaalsContact O-N 3.08Å; D996-V1000 WeakPolarHBondContact O-CG2 3.44Å; D996-V1000 PolarHBondContact O-N 3.14Å |
| 997 | K | 96.8 | Very high | 96.7 | Very high | 33 Ų | 33 | 66.2 Ų | 66.2 | 14% | 0.143 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -53.2 | -45.6 | 175.5 | -72.8 | -179.9 | 175.2 | -173.9 | 0 | 111.5 | L989 A992 S993 F1001 F1024 L1027 | L989-K997 HydrophobicContact CD2-CG 3.93Å; L989-K997 WeakPolarHBondContact O-CE 3.25Å; L989-K997 PolarHBondContact O-NZ 3.3Å; A992-K997 HydrophobicContact CB-CG 3.86Å; A992-K997 WeakPolarHBondContact O-CE 3.31Å; S993-K997 WeakPolarHBondContact O-CB 3.31Å; S993-K997 WeakPolarHBondContact O-CG 3.43Å; S993-K997 PolarHBondContact O-N 3.17Å; K997-F1001 WeakPolarHBondContact O-CB 3.35Å; K997-F1001 PolarHBondContact O-N 3.45Å; K997-F1024 HydrophobicContact CB-CE1 4.27Å; K997-F1024 WeakPolarHBondContact O-CE1 3.48Å; K997-F1024 WeakPolarHBondContact O-CZ 3.21Å; K997-L1027 PolarHBondContact NZ-O 2.59Å |
| 998 | T | 97.2 | Very high | 96.8 | Very high | 65 Ų | 65 | 61 Ų | 61 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 179.6 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | V994 V995 D996 F1001 R1002 Q1032 | V994-T998 VanDerWaalsContact O-CB 3.26Å; V994-T998 WeakPolarHBondContact O-CB 3.44Å; V994-T998 PolarHBondContact O-N 2.7Å; V994-T998 PolarHBondContact O-OG1 3.21Å; V995-T998 PolarHBondContact O-N 3.05Å; D996-T998 VanDerWaalsContact C-N 3.28Å; D996-T998 PolarHBondContact O-N 2.97Å; T998-F1001 PolarHBondContact O-N 2.74Å; T998-R1002 WeakPolarHBondContact O-CB 3.47Å; T998-R1002 PolarHBondContact O-N 3.19Å; T998-Q1032 PolarHBondContact OG1-NE2 3.44Å |
| 999 | S | 96.7 | Very high | 96.9 | Very high | 41 Ų | 41 | 61.2 Ų | 61.2 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.2 | -48.4 | 176.9 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | V995 D996 F1001 R1002 E1003 | V995-S999 WeakPolarHBondContact O-CB 3.48Å; V995-S999 PolarHBondContact O-N 3.09Å; V995-S999 PolarHBondContact O-OG 2.77Å; D996-S999 WeakPolarHBondContact O-CB 3.33Å; D996-S999 PolarHBondContact O-N 3.2Å; D996-S999 VanDerWaalsContact O-N 3.08Å; S999-F1001 PolarHBondContact O-N 3.35Å; S999-R1002 PolarHBondContact O-N 3.14Å; S999-E1003 PolarHBondContact O-N 3.39Å |
| 1000 | V | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 172.9 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | L965 M969 I972 I985 L989 D996 R1002 E1003 I1004 F1024 | L965-V1000 HydrophobicContact CB-CG2 4.01Å; L965-V1000 HydrophobicContact CD1-CG2 4.1Å; L965-V1000 HydrophobicContact CD2-CG2 4.05Å; L965-V1000 HydrophobicContact CG-CG2 4.26Å; M969-V1000 HydrophobicContact CE-CG2 4.17Å; I972-V1000 HydrophobicContact CD1-CG1 4.33Å; I972-V1000 HydrophobicContact CD1-CG2 3.81Å; I972-V1000 HydrophobicContact CG1-CG2 4.43Å; I972-V1000 HydrophobicContact CG2-CG1 3.75Å; I985-V1000 HydrophobicContact CG2-CG1 4.42Å; L989-V1000 HydrophobicContact CD2-CG1 4.37Å; D996-V1000 WeakPolarHBondContact O-CG2 3.44Å; D996-V1000 PolarHBondContact O-N 3.14Å; V1000-R1002 VanDerWaalsContact C-N 3.34Å; V1000-R1002 PolarHBondContact O-N 2.9Å; V1000-E1003 PolarHBondContact O-N 3.23Å; V1000-I1004 PolarHBondContact O-N 3.4Å; V1000-F1024 HydrophobicContact CB-CZ 4.04Å; V1000-F1024 HydrophobicContact CG1-CE2 3.74Å; V1000-F1024 HydrophobicContact CG1-CZ 3.77Å |
| 1001 | F | 98.2 | Very high | 97 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 5% | 0.048 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 179.5 | -171.2 | -103 | 0 | 0 | 0 | 112.5 | K997 T998 S999 E1003 I1004 L1005 F1024 Q1032 I1035 L1036 | K997-F1001 WeakPolarHBondContact O-CB 3.35Å; K997-F1001 PolarHBondContact O-N 3.45Å; T998-F1001 PolarHBondContact O-N 2.74Å; S999-F1001 PolarHBondContact O-N 3.35Å; F1001-E1003 PolarHBondContact O-N 3.32Å; F1001-I1004 WeakPolarHBondContact O-CG1 3.24Å; F1001-I1004 PolarHBondContact O-N 3.27Å; F1001-L1005 HydrophobicContact CE1-CD1 4.48Å; F1001-L1005 HydrophobicContact CE1-CD2 3.98Å; F1001-L1005 HydrophobicContact CZ-CD1 4.36Å; F1001-L1005 WeakPolarHBondContact O-CB 3.01Å; F1001-L1005 PolarHBondContact O-N 2.68Å; F1001-F1024 HydrophobicContact CB-CD1 4.41Å; F1001-F1024 HydrophobicContact CB-CE1 3.76Å; F1001-F1024 HydrophobicContact CB-CZ 3.99Å; F1001-F1024 AromaticContact CD2-CD1 3.55Å; F1001-F1024 HydrophobicContact CD2-CD1 3.55Å; F1001-F1024 AromaticContact CD2-CE1 3.78Å; F1001-F1024 HydrophobicContact CD2-CE1 3.78Å; F1001-F1024 AromaticContact CD2-CG 3.95Å; F1001-F1024 HydrophobicContact CD2-CG 3.95Å; F1001-F1024 HydrophobicContact CD2-CZ 4.36Å; F1001-F1024 HydrophobicContact CE2-CD1 4.27Å; F1001-F1024 HydrophobicContact CE2-CG 4.49Å; F1001-F1024 HydrophobicContact CG-CD1 4.41Å; F1001-F1024 HydrophobicContact CG-CE1 4.23Å; F1001-Q1032 HydrophobicContact CD1-CG 3.84Å; F1001-Q1032 HydrophobicContact CD2-CB 4.08Å; F1001-Q1032 HydrophobicContact CD2-CG 4.02Å; F1001-Q1032 HydrophobicContact CE1-CB 4.19Å; F1001-Q1032 HydrophobicContact CE1-CG 3.88Å; F1001-Q1032 HydrophobicContact CE2-CB 3.71Å; F1001-Q1032 HydrophobicContact CE2-CG 4.04Å; F1001-Q1032 HydrophobicContact CG-CB 4.46Å; F1001-Q1032 HydrophobicContact CG-CG 3.9Å; F1001-Q1032 HydrophobicContact CZ-CB 3.77Å; F1001-Q1032 HydrophobicContact CZ-CG 3.98Å; F1001-Q1032 WeakPolarHBondContact CZ-O 3.24Å; F1001-I1035 HydrophobicContact CE1-CB 4.32Å; F1001-I1035 HydrophobicContact CE1-CD1 4.32Å; F1001-I1035 HydrophobicContact CE1-CG2 3.99Å; F1001-I1035 HydrophobicContact CZ-CB 4.08Å; F1001-I1035 HydrophobicContact CZ-CG2 3.89Å; F1001-L1036 HydrophobicContact CE2-CD1 3.89Å; F1001-L1036 HydrophobicContact CE2-CD2 4.11Å; F1001-L1036 HydrophobicContact CE2-CG 3.7Å; F1001-L1036 HydrophobicContact CZ-CD2 4.44Å; F1001-L1036 HydrophobicContact CZ-CG 4.03Å |
| 1002 | R | 97.8 | Very high | 97.2 | Very high | 208 Ų | 208 | 52 Ų | 52 | 79% | 0.785 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.7 | -33 | 179.8 | -176.6 | 176.4 | 178.2 | 169.3 | 0 | 112.8 | T998 S999 V1000 P1006 | T998-R1002 WeakPolarHBondContact O-CB 3.47Å; T998-R1002 PolarHBondContact O-N 3.19Å; S999-R1002 PolarHBondContact O-N 3.14Å; V1000-R1002 VanDerWaalsContact C-N 3.34Å; V1000-R1002 PolarHBondContact O-N 2.9Å; R1002-P1006 WeakPolarHBondContact O-CD 3.21Å |
| 1003 | E | 98.1 | Very high | 97.4 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -82.7 | -37.6 | -178.8 | -156.2 | -175.2 | 128.5 | 0 | 0 | 113 | N970 H971 I972 V973 S999 V1000 F1001 P1006 H1007 | N970-E1003 WeakPolarHBondContact CA-OE1 3.09Å; N970-E1003 WeakPolarHBondContact CA-OE2 3.39Å; N970-E1003 PolarHBondContact N-OE2 2.7Å; H971-E1003 PolarHBondContact N-OE1 3.48Å; H971-E1003 VanDerWaalsContact N-OE1 3.15Å; I972-E1003 HydrophobicContact CB-CB 4.27Å; I972-E1003 HydrophobicContact CB-CG 4.35Å; I972-E1003 WeakPolarHBondContact CB-OE1 3.36Å; I972-E1003 WeakPolarHBondContact CG1-OE2 3.38Å; I972-E1003 PolarHBondContact N-OE1 3.21Å; V973-E1003 HydrophobicContact CG2-CG 4.19Å; V973-E1003 WeakPolarHBondContact CG2-O 3.24Å; S999-E1003 PolarHBondContact O-N 3.39Å; V1000-E1003 PolarHBondContact O-N 3.23Å; F1001-E1003 PolarHBondContact O-N 3.32Å; E1003-P1006 WeakPolarHBondContact O-CD 3.32Å; E1003-H1007 PolarHBondContact O-ND1 3Å |
| 1004 | I | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -76.9 | -27.9 | 176.4 | 65.9 | 178.8 | 0 | 0 | 0 | 113.2 | I972 V1000 F1001 H1007 A1008 L1011 V1020 I1021 F1024 | I972-I1004 HydrophobicContact CG2-CG2 3.47Å; I972-I1004 VanDerWaalsContact CG2-CG2 3.47Å; V1000-I1004 PolarHBondContact O-N 3.4Å; F1001-I1004 WeakPolarHBondContact O-CG1 3.24Å; F1001-I1004 PolarHBondContact O-N 3.27Å; I1004-H1007 CarbonylContact O-C 3.54Å; I1004-H1007 WeakPolarHBondContact O-CA 3.19Å; I1004-H1007 PolarHBondContact O-N 2.98Å; I1004-A1008 PolarHBondContact O-N 3.33Å; I1004-L1011 HydrophobicContact CB-CD1 3.67Å; I1004-L1011 HydrophobicContact CG2-CD1 3.84Å; I1004-V1020 HydrophobicContact CD1-CG1 4.19Å; I1004-I1021 HydrophobicContact CD1-CD1 4.18Å; I1004-F1024 HydrophobicContact CD1-CD2 3.43Å; I1004-F1024 VanDerWaalsContact CD1-CD2 3.43Å; I1004-F1024 HydrophobicContact CD1-CE2 3.44Å; I1004-F1024 VanDerWaalsContact CD1-CE2 3.44Å; I1004-F1024 HydrophobicContact CD1-CG 4.32Å; I1004-F1024 HydrophobicContact CD1-CZ 4.34Å |
| 1005 | L | 98 | Very high | 97.7 | Very high | 31 Ų | 31 | 50.8 Ų | 50.8 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -58.8 | -40.7 | -172 | 177.7 | 62.7 | 0 | 0 | 0 | 114.5 | F1001 H1007 A1008 I1035 R1039 | F1001-L1005 HydrophobicContact CE1-CD1 4.48Å; F1001-L1005 HydrophobicContact CE1-CD2 3.98Å; F1001-L1005 HydrophobicContact CZ-CD1 4.36Å; F1001-L1005 WeakPolarHBondContact O-CB 3.01Å; F1001-L1005 PolarHBondContact O-N 2.68Å; L1005-H1007 PolarHBondContact O-N 2.67Å; L1005-A1008 PolarHBondContact O-N 3.09Å; L1005-I1035 HydrophobicContact CD1-CG2 3.57Å; L1005-I1035 HydrophobicContact CD2-CG2 3.73Å; L1005-I1035 HydrophobicContact CG-CG2 4.32Å; L1005-R1039 HydrophobicContact CD1-CG 4.03Å; L1005-R1039 PolarHBondContact O-NH1 3.11Å |
| 1006 | P | 97.4 | Very high | 97.8 | Very high | 89 Ų | 89 | 48.5 Ų | 48.5 | 58% | 0.578 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -60.2 | -31.7 | 171.5 | -23.8 | 34.7 | 0 | 0 | 0 | 113.2 | R1002 E1003 | R1002-P1006 WeakPolarHBondContact O-CD 3.21Å; E1003-P1006 WeakPolarHBondContact O-CD 3.32Å |
| 1007 | H | 97.8 | Very high | 98 | Very high | 82 Ų | 82 | 46.1 Ų | 46.1 | 38% | 0.38 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -99 | 3.7 | -173.6 | -52.6 | 100.3 | 0 | 0 | 0 | 113.5 | V973 E1003 I1004 L1005 Y1009 N1010 L1011 | V973-H1007 HydrophobicContact CG1-CB 4.05Å; V973-H1007 HydrophobicContact CG2-CB 4.41Å; V973-H1007 WeakPolarHBondContact CG2-ND1 3.23Å; E1003-H1007 PolarHBondContact O-ND1 3Å; I1004-H1007 CarbonylContact O-C 3.54Å; I1004-H1007 WeakPolarHBondContact O-CA 3.19Å; I1004-H1007 PolarHBondContact O-N 2.98Å; L1005-H1007 PolarHBondContact O-N 2.67Å; H1007-Y1009 PolarHBondContact O-N 3.46Å; H1007-N1010 WeakPolarHBondContact O-CB 3.48Å; H1007-N1010 PolarHBondContact O-N 3.04Å; H1007-L1011 HydrophobicContact CB-CD1 4.25Å; H1007-L1011 HydrophobicContact CB-CG 4.5Å; H1007-L1011 PolarHBondContact O-N 2.87Å; H1007-L1011 VanDerWaalsContact O-N 3.09Å |
| 1008 | A | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.8 | -45.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1004 L1005 N1010 L1011 M1012 I1021 L1036 | I1004-A1008 PolarHBondContact O-N 3.33Å; L1005-A1008 PolarHBondContact O-N 3.09Å; A1008-N1010 PolarHBondContact O-N 3.19Å; A1008-L1011 PolarHBondContact O-N 2.95Å; A1008-M1012 HydrophobicContact CB-CE 4.27Å; A1008-M1012 WeakPolarHBondContact O-CG 3.5Å; A1008-M1012 PolarHBondContact O-N 3.29Å; A1008-I1021 HydrophobicContact CB-CD1 4.27Å; A1008-L1036 HydrophobicContact CB-CD2 4.22Å |
| 1009 | Y | 97.9 | Very high | 98.1 | Very high | 79 Ų | 79 | 46.7 Ų | 46.7 | 31% | 0.31 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 178.8 | -177.7 | -91.5 | 0 | 0 | 0 | 112.4 | H1007 L1011 M1012 I1013 Q1043 S1046 L1047 | H1007-Y1009 PolarHBondContact O-N 3.46Å; Y1009-L1011 VanDerWaalsContact C-N 3.32Å; Y1009-L1011 PolarHBondContact O-N 3.39Å; Y1009-M1012 WeakPolarHBondContact O-CB 3.27Å; Y1009-M1012 PolarHBondContact O-N 3.46Å; Y1009-I1013 HydrophobicContact CD1-CD1 4.43Å; Y1009-I1013 HydrophobicContact CE1-CD1 3.96Å; Y1009-I1013 PolarHBondContact O-N 2.62Å; Y1009-Q1043 HydrophobicContact CD2-CG 4.45Å; Y1009-Q1043 HydrophobicContact CE2-CB 4.16Å; Y1009-Q1043 HydrophobicContact CE2-CG 4.11Å; Y1009-S1046 PolarHBondContact OH-OG 3.39Å; Y1009-L1047 HydrophobicContact CD2-CD2 4.22Å; Y1009-L1047 HydrophobicContact CE2-CD1 4.49Å; Y1009-L1047 HydrophobicContact CE2-CD2 3.83Å; Y1009-L1047 HydrophobicContact CE2-CG 4.13Å |
| 1010 | N | 98 | Very high | 98.2 | Very high | 93 Ų | 93 | 44.8 Ų | 44.8 | 50% | 0.497 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 177.9 | -64.4 | -2.6 | 0 | 0 | 0 | 110.6 | H1007 A1008 I1013 D1014 | H1007-N1010 WeakPolarHBondContact O-CB 3.48Å; H1007-N1010 PolarHBondContact O-N 3.04Å; A1008-N1010 PolarHBondContact O-N 3.19Å; N1010-I1013 WeakPolarHBondContact O-CG1 3.44Å; N1010-I1013 PolarHBondContact O-N 2.67Å; N1010-D1014 WeakPolarHBondContact O-CB 3.39Å; N1010-D1014 PolarHBondContact O-N 2.97Å; N1010-D1014 VanDerWaalsContact O-N 3.11Å |
| 1011 | L | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.3 | -34.7 | 175.8 | -66.3 | 170 | 0 | 0 | 0 | 112.2 | A976 Q977 I1004 H1007 A1008 Y1009 I1013 D1014 G1017 N1018 I1021 | A976-L1011 HydrophobicContact CB-CD2 3.9Å; Q977-L1011 HydrophobicContact CG-CD2 3.7Å; I1004-L1011 HydrophobicContact CB-CD1 3.67Å; I1004-L1011 HydrophobicContact CG2-CD1 3.84Å; H1007-L1011 HydrophobicContact CB-CD1 4.25Å; H1007-L1011 HydrophobicContact CB-CG 4.5Å; H1007-L1011 PolarHBondContact O-N 2.87Å; H1007-L1011 VanDerWaalsContact O-N 3.09Å; A1008-L1011 PolarHBondContact O-N 2.95Å; Y1009-L1011 VanDerWaalsContact C-N 3.32Å; Y1009-L1011 PolarHBondContact O-N 3.39Å; L1011-I1013 VanDerWaalsContact C-N 3.26Å; L1011-I1013 PolarHBondContact O-N 2.92Å; L1011-D1014 PolarHBondContact O-N 3.09Å; L1011-G1017 CarbonylContact O-C 3.58Å; L1011-N1018 VanDerWaalsContact O-CA 3.23Å; L1011-N1018 WeakPolarHBondContact O-CA 3.4Å; L1011-N1018 PolarHBondContact O-N 3.22Å; L1011-I1021 HydrophobicContact CB-CD1 4.01Å; L1011-I1021 HydrophobicContact CB-CG1 3.84Å; L1011-I1021 HydrophobicContact CD1-CD1 4.32Å |
| 1012 | M | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.8 | -32.5 | 176.3 | -69.7 | 164.1 | 177.5 | 0 | 0 | 113.1 | A1008 Y1009 I1021 L1036 I1040 L1047 Y1052 G1053 V1056 | A1008-M1012 HydrophobicContact CB-CE 4.27Å; A1008-M1012 WeakPolarHBondContact O-CG 3.5Å; A1008-M1012 PolarHBondContact O-N 3.29Å; Y1009-M1012 WeakPolarHBondContact O-CB 3.27Å; Y1009-M1012 PolarHBondContact O-N 3.46Å; M1012-I1021 HydrophobicContact CE-CG2 3.79Å; M1012-I1021 HydrophobicContact CG-CB 4.37Å; M1012-I1021 HydrophobicContact CG-CG1 4.11Å; M1012-I1021 HydrophobicContact CG-CG2 3.9Å; M1012-L1036 HydrophobicContact CE-CD2 4.26Å; M1012-I1040 HydrophobicContact CE-CG2 3.49Å; M1012-I1040 VanDerWaalsContact CE-CG2 3.49Å; M1012-I1040 HydrophobicContact SD-CG2 3.61Å; M1012-L1047 HydrophobicContact CB-CD2 4.04Å; M1012-L1047 HydrophobicContact SD-CD1 4.12Å; M1012-Y1052 CarbonylContact O-C 3.35Å; M1012-G1053 WeakPolarHBondContact O-CA 3.45Å; M1012-G1053 PolarHBondContact O-N 3.45Å; M1012-V1056 HydrophobicContact CB-CG2 4.14Å; M1012-V1056 HydrophobicContact CE-CG1 4.47Å; M1012-V1056 HydrophobicContact CG-CB 4.45Å; M1012-V1056 HydrophobicContact CG-CG1 4.06Å; M1012-V1056 HydrophobicContact CG-CG2 4.15Å |
| 1013 | I | 98.2 | Very high | 98.3 | Very high | 55 Ų | 55 | 37.7 Ų | 37.7 | 28% | 0.282 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 6.2 | 178 | 67.1 | 173.3 | 0 | 0 | 0 | 113.4 | Y1009 N1010 L1011 L1047 Q1050 Y1052 | Y1009-I1013 HydrophobicContact CD1-CD1 4.43Å; Y1009-I1013 HydrophobicContact CE1-CD1 3.96Å; Y1009-I1013 PolarHBondContact O-N 2.62Å; N1010-I1013 WeakPolarHBondContact O-CG1 3.44Å; N1010-I1013 PolarHBondContact O-N 2.67Å; L1011-I1013 VanDerWaalsContact C-N 3.26Å; L1011-I1013 PolarHBondContact O-N 2.92Å; I1013-L1047 HydrophobicContact CG2-CD2 3.7Å; I1013-Q1050 HydrophobicContact CB-CG 4.36Å; I1013-Q1050 HydrophobicContact CG2-CG 3.95Å; I1013-Q1050 PolarHBondContact O-NE2 2.97Å; I1013-Y1052 VanDerWaalsContact O-CD2 3.31Å; I1013-Y1052 WeakPolarHBondContact O-CD2 3.36Å |
| 1014 | D | 98.6 | Very high | 98.3 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 16% | 0.155 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -89.3 | 142.2 | 177.7 | -173.8 | 99.2 | 0 | 0 | 0 | 111.3 | Q977 N1010 L1011 F1016 G1017 N1018 | Q977-D1014 PolarHBondContact NE2-OD1 2.84Å; N1010-D1014 WeakPolarHBondContact O-CB 3.39Å; N1010-D1014 PolarHBondContact O-N 2.97Å; N1010-D1014 VanDerWaalsContact O-N 3.11Å; L1011-D1014 PolarHBondContact O-N 3.09Å; D1014-F1016 PolarHBondContact O-N 3.33Å; D1014-F1016 PolarHBondContact OD2-N 3.1Å; D1014-G1017 PolarHBondContact OD2-N 2.94Å; D1014-N1018 WeakPolarHBondContact O-CB 3.48Å; D1014-N1018 PolarHBondContact O-N 3.46Å; D1014-N1018 PolarHBondContact O-ND2 3.15Å |
| 1015 | V | 97.9 | Very high | 98.3 | Very high | 56 Ų | 56 | 36.1 Ų | 36.1 | 34% | 0.339 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.4 | -177.4 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | N1018 Y1019 Y1052 | V1015-N1018 PolarHBondContact O-ND2 3.26Å; V1015-Y1019 WeakPolarHBondContact O-CE2 3.49Å; V1015-Y1052 HydrophobicContact CB-CE1 4.15Å; V1015-Y1052 HydrophobicContact CB-CE2 3.92Å; V1015-Y1052 HydrophobicContact CG2-CE1 3.92Å; V1015-Y1052 HydrophobicContact CG2-CE2 4.49Å; V1015-Y1052 WeakPolarHBondContact CG2-OH 3.47Å |
| 1016 | F | 98.4 | Very high | 98.3 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 26% | 0.259 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -31.6 | 176.7 | -52.1 | -53.4 | 0 | 0 | 0 | 112.8 | A976 Q977 Q979 S982 D1014 N1018 | A976-F1016 CarbonylContact O-C 3.52Å; A976-F1016 VanDerWaalsContact O-C 3.22Å; A976-F1016 WeakPolarHBondContact O-CB 3.39Å; Q977-F1016 WeakPolarHBondContact O-CD2 3.31Å; Q979-F1016 HydrophobicContact CB-CD1 4.17Å; Q979-F1016 HydrophobicContact CB-CD2 4.37Å; Q979-F1016 HydrophobicContact CB-CE1 3.77Å; Q979-F1016 HydrophobicContact CB-CE2 3.98Å; Q979-F1016 HydrophobicContact CB-CG 4.46Å; Q979-F1016 HydrophobicContact CB-CZ 3.67Å; Q979-F1016 HydrophobicContact CG-CD1 4.28Å; Q979-F1016 HydrophobicContact CG-CE1 3.74Å; Q979-F1016 HydrophobicContact CG-CZ 4.03Å; S982-F1016 PolarHBondContact OG-O 3.44Å; D1014-F1016 PolarHBondContact O-N 3.33Å; D1014-F1016 PolarHBondContact OD2-N 3.1Å; F1016-N1018 VanDerWaalsContact C-N 3.31Å; F1016-N1018 PolarHBondContact O-N 3.01Å |
| 1017 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.8 | -30.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A976 L1011 D1014 Y1019 V1020 I1021 | A976-G1017 VanDerWaalsContact O-CA 3.25Å; A976-G1017 WeakPolarHBondContact O-CA 3.48Å; A976-G1017 PolarHBondContact O-N 3.34Å; L1011-G1017 CarbonylContact O-C 3.58Å; D1014-G1017 PolarHBondContact OD2-N 2.94Å; G1017-Y1019 PolarHBondContact O-N 3.38Å; G1017-V1020 WeakPolarHBondContact O-CB 3.44Å; G1017-V1020 PolarHBondContact O-N 3.04Å; G1017-I1021 PolarHBondContact O-N 3.37Å |
| 1018 | N | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.6 | -33.2 | -175.5 | 75.1 | 86.3 | 0 | 0 | 0 | 111.9 | L1011 D1014 V1015 F1016 I1021 Q1022 V1056 | L1011-N1018 VanDerWaalsContact O-CA 3.23Å; L1011-N1018 WeakPolarHBondContact O-CA 3.4Å; L1011-N1018 PolarHBondContact O-N 3.22Å; D1014-N1018 WeakPolarHBondContact O-CB 3.48Å; D1014-N1018 PolarHBondContact O-N 3.46Å; D1014-N1018 PolarHBondContact O-ND2 3.15Å; V1015-N1018 PolarHBondContact O-ND2 3.26Å; F1016-N1018 VanDerWaalsContact C-N 3.31Å; F1016-N1018 PolarHBondContact O-N 3.01Å; N1018-I1021 PolarHBondContact O-N 2.62Å; N1018-Q1022 WeakPolarHBondContact O-CG 3.39Å; N1018-Q1022 PolarHBondContact O-N 2.88Å; N1018-Q1022 PolarHBondContact OD1-NE2 2.73Å; N1018-V1056 HydrophobicContact CB-CG2 4.04Å |
| 1019 | Y | 98.7 | Very high | 98.1 | Very high | 110 Ų | 110 | 34.3 Ų | 34.3 | 43% | 0.431 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.6 | -32.2 | 177.5 | -60.3 | -77.2 | 0 | 0 | 0 | 112.6 | Q986 V1015 G1017 Q1022 K1023 | Q986-Y1019 VanDerWaalsContact CD-CB 3.48Å; Q986-Y1019 VanDerWaalsContact NE2-CB 3.29Å; V1015-Y1019 WeakPolarHBondContact O-CE2 3.49Å; G1017-Y1019 PolarHBondContact O-N 3.38Å; Y1019-Q1022 PolarHBondContact O-N 3.32Å; Y1019-K1023 WeakPolarHBondContact O-CG 3.48Å; Y1019-K1023 PolarHBondContact O-N 2.72Å |
| 1020 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.9 | -42.4 | 174.7 | -179 | 0 | 0 | 0 | 0 | 110 | A976 I985 Q986 L989 I1004 G1017 K1023 F1024 | A976-V1020 HydrophobicContact CB-CB 4.45Å; A976-V1020 HydrophobicContact CB-CG2 3.92Å; I985-V1020 HydrophobicContact CB-CG2 4.37Å; I985-V1020 HydrophobicContact CG2-CG1 3.8Å; I985-V1020 HydrophobicContact CG2-CG2 4.04Å; Q986-V1020 HydrophobicContact CG-CG2 4.47Å; L989-V1020 HydrophobicContact CD1-CG1 4.4Å; I1004-V1020 HydrophobicContact CD1-CG1 4.19Å; G1017-V1020 WeakPolarHBondContact O-CB 3.44Å; G1017-V1020 PolarHBondContact O-N 3.04Å; V1020-K1023 PolarHBondContact O-N 3.04Å; V1020-F1024 HydrophobicContact CG1-CD2 4.33Å; V1020-F1024 HydrophobicContact CG1-CE2 4.32Å; V1020-F1024 WeakPolarHBondContact O-CD2 3.31Å; V1020-F1024 PolarHBondContact O-N 3.35Å; V1020-F1024 VanDerWaalsContact O-N 3.13Å |
| 1021 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 174.6 | -55.3 | -65.4 | 0 | 0 | 0 | 111 | I1004 A1008 L1011 M1012 G1017 N1018 K1023 F1024 F1025 L1036 V1056 | I1004-I1021 HydrophobicContact CD1-CD1 4.18Å; A1008-I1021 HydrophobicContact CB-CD1 4.27Å; L1011-I1021 HydrophobicContact CB-CD1 4.01Å; L1011-I1021 HydrophobicContact CB-CG1 3.84Å; L1011-I1021 HydrophobicContact CD1-CD1 4.32Å; M1012-I1021 HydrophobicContact CE-CG2 3.79Å; M1012-I1021 HydrophobicContact CG-CB 4.37Å; M1012-I1021 HydrophobicContact CG-CG1 4.11Å; M1012-I1021 HydrophobicContact CG-CG2 3.9Å; G1017-I1021 PolarHBondContact O-N 3.37Å; N1018-I1021 PolarHBondContact O-N 2.62Å; I1021-K1023 VanDerWaalsContact C-N 3.34Å; I1021-K1023 PolarHBondContact O-N 2.97Å; I1021-F1024 PolarHBondContact O-N 2.9Å; I1021-F1024 VanDerWaalsContact O-N 3.13Å; I1021-F1025 HydrophobicContact CG2-CD2 4.08Å; I1021-F1025 HydrophobicContact CG2-CE2 3.95Å; I1021-F1025 PolarHBondContact O-N 3.37Å; I1021-L1036 HydrophobicContact CG2-CD1 4.29Å; I1021-L1036 HydrophobicContact CG2-CD2 4.46Å; I1021-V1056 HydrophobicContact CG2-CG1 3.71Å; I1021-V1056 HydrophobicContact CG2-CG2 4.48Å |
| 1022 | Q | 98.6 | Very high | 97.8 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 17% | 0.168 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.1 | -41.8 | 173.4 | -74.8 | -178.5 | 76.1 | 0 | 0 | 112.3 | N1018 Y1019 F1024 F1025 E1026 V1056 K1059 | N1018-Q1022 WeakPolarHBondContact O-CG 3.39Å; N1018-Q1022 PolarHBondContact O-N 2.88Å; N1018-Q1022 PolarHBondContact OD1-NE2 2.73Å; Y1019-Q1022 PolarHBondContact O-N 3.32Å; Q1022-F1024 VanDerWaalsContact C-N 3.28Å; Q1022-F1024 PolarHBondContact O-N 2.75Å; Q1022-F1025 PolarHBondContact O-N 3.42Å; Q1022-E1026 PolarHBondContact O-N 3.09Å; Q1022-V1056 HydrophobicContact CG-CG2 4.29Å; Q1022-K1059 HydrophobicContact CB-CB 4.39Å; Q1022-K1059 HydrophobicContact CB-CG 4.04Å; Q1022-K1059 HydrophobicContact CG-CB 3.91Å; Q1022-K1059 HydrophobicContact CG-CG 4.13Å |
| 1023 | K | 98.4 | Very high | 97.8 | Very high | 35 Ų | 35 | 39.5 Ų | 39.5 | 15% | 0.152 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -27.4 | 175.1 | -80.5 | -75.7 | 164.3 | -171.2 | 0 | 113.3 | Q986 L989 E990 Y1019 V1020 I1021 E1026 L1027 | Q986-K1023 HydrophobicContact CB-CG 4.14Å; Q986-K1023 HydrophobicContact CG-CG 4Å; L989-K1023 HydrophobicContact CD1-CB 4.17Å; E990-K1023 WeakPolarHBondContact OE1-CE 3.43Å; E990-K1023 IonicContact OE1-NZ 2.68Å; E990-K1023 PolarHBondContact OE1-NZ 3.2Å; Y1019-K1023 WeakPolarHBondContact O-CG 3.48Å; Y1019-K1023 PolarHBondContact O-N 2.72Å; V1020-K1023 PolarHBondContact O-N 3.04Å; I1021-K1023 VanDerWaalsContact C-N 3.34Å; I1021-K1023 PolarHBondContact O-N 2.97Å; K1023-E1026 WeakPolarHBondContact CD-OE2 3.47Å; K1023-E1026 VanDerWaalsContact CE-OE2 3.28Å; K1023-E1026 WeakPolarHBondContact CE-OE2 3.36Å; K1023-E1026 IonicContact NZ-OE2 2.83Å; K1023-E1026 PolarHBondContact NZ-OE2 3.3Å; K1023-L1027 HydrophobicContact CD-CD1 3.63Å; K1023-L1027 HydrophobicContact CD-CG 4.4Å; K1023-L1027 WeakPolarHBondContact O-CA 3.48Å; K1023-L1027 VanDerWaalsContact O-CB 3.28Å; K1023-L1027 WeakPolarHBondContact O-CB 3.44Å; K1023-L1027 PolarHBondContact O-N 3.01Å |
| 1024 | F | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -77.6 | -33.4 | 170.6 | -86.7 | -77.3 | 0 | 0 | 0 | 113.6 | L989 K997 V1000 F1001 I1004 V1020 I1021 Q1022 E1026 G1028 L1036 | L989-F1024 HydrophobicContact CD1-CD2 4.14Å; L989-F1024 HydrophobicContact CD1-CE2 3.66Å; L989-F1024 HydrophobicContact CD1-CZ 4.21Å; L989-F1024 HydrophobicContact CD2-CE1 4.33Å; L989-F1024 HydrophobicContact CD2-CE2 3.96Å; L989-F1024 HydrophobicContact CD2-CZ 3.63Å; K997-F1024 HydrophobicContact CB-CE1 4.27Å; K997-F1024 WeakPolarHBondContact O-CE1 3.48Å; K997-F1024 WeakPolarHBondContact O-CZ 3.21Å; V1000-F1024 HydrophobicContact CB-CZ 4.04Å; V1000-F1024 HydrophobicContact CG1-CE2 3.74Å; V1000-F1024 HydrophobicContact CG1-CZ 3.77Å; F1001-F1024 HydrophobicContact CB-CD1 4.41Å; F1001-F1024 HydrophobicContact CB-CE1 3.76Å; F1001-F1024 HydrophobicContact CB-CZ 3.99Å; F1001-F1024 AromaticContact CD2-CD1 3.55Å; F1001-F1024 HydrophobicContact CD2-CD1 3.55Å; F1001-F1024 AromaticContact CD2-CE1 3.78Å; F1001-F1024 HydrophobicContact CD2-CE1 3.78Å; F1001-F1024 AromaticContact CD2-CG 3.95Å; F1001-F1024 HydrophobicContact CD2-CG 3.95Å; F1001-F1024 HydrophobicContact CD2-CZ 4.36Å; F1001-F1024 HydrophobicContact CE2-CD1 4.27Å; F1001-F1024 HydrophobicContact CE2-CG 4.49Å; F1001-F1024 HydrophobicContact CG-CD1 4.41Å; F1001-F1024 HydrophobicContact CG-CE1 4.23Å; I1004-F1024 HydrophobicContact CD1-CD2 3.43Å; I1004-F1024 VanDerWaalsContact CD1-CD2 3.43Å; I1004-F1024 HydrophobicContact CD1-CE2 3.44Å; I1004-F1024 VanDerWaalsContact CD1-CE2 3.44Å; I1004-F1024 HydrophobicContact CD1-CG 4.32Å; I1004-F1024 HydrophobicContact CD1-CZ 4.34Å; V1020-F1024 HydrophobicContact CG1-CD2 4.33Å; V1020-F1024 HydrophobicContact CG1-CE2 4.32Å; V1020-F1024 WeakPolarHBondContact O-CD2 3.31Å; V1020-F1024 PolarHBondContact O-N 3.35Å; V1020-F1024 VanDerWaalsContact O-N 3.13Å; I1021-F1024 PolarHBondContact O-N 2.9Å; I1021-F1024 VanDerWaalsContact O-N 3.13Å; Q1022-F1024 VanDerWaalsContact C-N 3.28Å; Q1022-F1024 PolarHBondContact O-N 2.75Å; F1024-E1026 VanDerWaalsContact C-N 3.32Å; F1024-G1028 VanDerWaalsContact O-CA 3.29Å; F1024-G1028 WeakPolarHBondContact O-CA 3.48Å; F1024-G1028 PolarHBondContact O-N 2.89Å; F1024-L1036 HydrophobicContact CB-CD1 3.69Å |
| 1025 | F | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -35.8 | 167.7 | -82.1 | -66.6 | 0 | 0 | 0 | 112.1 | I1021 Q1022 K1033 L1036 V1056 K1059 A1060 S1063 V1064 | I1021-F1025 HydrophobicContact CG2-CD2 4.08Å; I1021-F1025 HydrophobicContact CG2-CE2 3.95Å; I1021-F1025 PolarHBondContact O-N 3.37Å; Q1022-F1025 PolarHBondContact O-N 3.42Å; F1025-K1033 VanDerWaalsContact O-CD 3.26Å; F1025-K1033 WeakPolarHBondContact O-CD 3.37Å; F1025-K1033 WeakPolarHBondContact O-CE 3.4Å; F1025-K1033 PolarHBondContact O-NZ 3.43Å; F1025-L1036 HydrophobicContact CD2-CD1 4.21Å; F1025-L1036 HydrophobicContact CE1-CB 3.83Å; F1025-L1036 HydrophobicContact CE2-CB 3.92Å; F1025-L1036 HydrophobicContact CE2-CD1 4.12Å; F1025-L1036 HydrophobicContact CZ-CB 3.43Å; F1025-L1036 VanDerWaalsContact CZ-CB 3.43Å; F1025-L1036 HydrophobicContact CZ-CD1 4.35Å; F1025-V1056 HydrophobicContact CD2-CG1 3.98Å; F1025-V1056 HydrophobicContact CE2-CG1 3.6Å; F1025-K1059 HydrophobicContact CB-CG 3.91Å; F1025-A1060 HydrophobicContact CD1-CB 4.02Å; F1025-A1060 HydrophobicContact CD2-CB 4.28Å; F1025-A1060 HydrophobicContact CE1-CB 3.69Å; F1025-A1060 HydrophobicContact CE2-CB 3.96Å; F1025-A1060 HydrophobicContact CG-CB 4.3Å; F1025-A1060 HydrophobicContact CZ-CB 3.64Å; F1025-S1063 WeakPolarHBondContact O-CB 3.33Å; F1025-S1063 PolarHBondContact O-OG 3.44Å; F1025-V1064 HydrophobicContact CD1-CG1 3.98Å; F1025-V1064 HydrophobicContact CE1-CG1 3.78Å |
| 1026 | E | 97.2 | Very high | 97.6 | Very high | 62 Ų | 62 | 40.8 Ų | 40.8 | 29% | 0.29 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -72.6 | -58.4 | 174.8 | -172.3 | 178.7 | -132 | 0 | 0 | 112 | R36 Q1022 K1023 F1024 K1033 | R36-E1026 IonicContact NH2-OE1 3.65Å; Q1022-E1026 PolarHBondContact O-N 3.09Å; K1023-E1026 WeakPolarHBondContact CD-OE2 3.47Å; K1023-E1026 VanDerWaalsContact CE-OE2 3.28Å; K1023-E1026 WeakPolarHBondContact CE-OE2 3.36Å; K1023-E1026 IonicContact NZ-OE2 2.83Å; K1023-E1026 PolarHBondContact NZ-OE2 3.3Å; F1024-E1026 VanDerWaalsContact C-N 3.32Å; E1026-K1033 PolarHBondContact O-NZ 3.27Å |
| 1027 | L | 96.4 | Very high | 97.5 | Very high | 54 Ų | 54 | 38 Ų | 38 | 28% | 0.283 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -110.2 | 0.3 | -161.9 | -53.4 | 170.9 | 0 | 0 | 0 | 115.5 | E990 K997 K1023 | E990-L1027 HydrophobicContact CB-CD1 4.43Å; E990-L1027 HydrophobicContact CG-CD1 3.66Å; K997-L1027 PolarHBondContact NZ-O 2.59Å; K1023-L1027 HydrophobicContact CD-CD1 3.63Å; K1023-L1027 HydrophobicContact CD-CG 4.4Å; K1023-L1027 WeakPolarHBondContact O-CA 3.48Å; K1023-L1027 VanDerWaalsContact O-CB 3.28Å; K1023-L1027 WeakPolarHBondContact O-CB 3.44Å; K1023-L1027 PolarHBondContact O-N 3.01Å |
| 1028 | G | 96.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 11% | 0.113 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -78.2 | 165 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1024 Q1032 K1033 | F1024-G1028 VanDerWaalsContact O-CA 3.29Å; F1024-G1028 WeakPolarHBondContact O-CA 3.48Å; F1024-G1028 PolarHBondContact O-N 2.89Å; G1028-Q1032 VanDerWaalsContact CA-OE1 3.28Å; G1028-K1033 WeakPolarHBondContact O-CE 3.37Å |
| 1029 | T | 96.3 | Very high | 97.2 | Very high | 38 Ų | 38 | 47.8 Ų | 47.8 | 23% | 0.233 | 23% | 0.231 | C | C | . | . | trans | -65.9 | 157.4 | 173.6 | 69.4 | 0 | 0 | 0 | 0 | 111.1 | V994 E1031 Q1032 K1033 | V994-T1029 HydrophobicContact CG1-CG2 4.08Å; T1029-E1031 PolarHBondContact O-N 3.24Å; T1029-Q1032 WeakPolarHBondContact O-CB 3.31Å; T1029-Q1032 PolarHBondContact O-N 2.99Å; T1029-Q1032 VanDerWaalsContact OG1-CG 3.27Å; T1029-Q1032 WeakPolarHBondContact OG1-CG 3.1Å; T1029-Q1032 PolarHBondContact OG1-N 3.26Å; T1029-K1033 WeakPolarHBondContact O-CG 3.36Å; T1029-K1033 PolarHBondContact O-N 3.41Å | ||
| 1030 | P | 96.2 | Very high | 97 | Very high | 107 Ų | 107 | 42.5 Ų | 42.5 | 70% | 0.695 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -53 | -38.5 | 176.5 | -28.1 | 36.2 | 0 | 0 | 0 | 113.3 | K1033 Q1034 | P1030-K1033 PolarHBondContact O-N 2.92Å; P1030-Q1034 WeakPolarHBondContact O-CB 3.28Å; P1030-Q1034 PolarHBondContact O-N 2.8Å |
| 1031 | E | 96.3 | Very high | 96.8 | Very high | 130 Ų | 130 | 49.3 Ų | 49.3 | 61% | 0.607 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.9 | -46.5 | 172.9 | -175.8 | -174.2 | -171.8 | 0 | 0 | 112.3 | T1029 K1033 Q1034 I1035 | T1029-E1031 PolarHBondContact O-N 3.24Å; E1031-K1033 VanDerWaalsContact C-N 3.33Å; E1031-K1033 PolarHBondContact O-N 3.46Å; E1031-Q1034 PolarHBondContact O-N 2.96Å; E1031-I1035 HydrophobicContact CG-CD1 3.87Å; E1031-I1035 WeakPolarHBondContact O-CB 3.22Å; E1031-I1035 VanDerWaalsContact O-CG1 3.27Å; E1031-I1035 WeakPolarHBondContact O-CG1 3.39Å; E1031-I1035 PolarHBondContact O-N 3.23Å |
| 1032 | Q | 97.5 | Very high | 96.7 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 176.5 | -71.6 | 166.5 | -1.7 | 0 | 0 | 111.7 | T998 F1001 G1028 T1029 I1035 L1036 | T998-Q1032 PolarHBondContact OG1-NE2 3.44Å; F1001-Q1032 HydrophobicContact CD1-CG 3.84Å; F1001-Q1032 HydrophobicContact CD2-CB 4.08Å; F1001-Q1032 HydrophobicContact CD2-CG 4.02Å; F1001-Q1032 HydrophobicContact CE1-CB 4.19Å; F1001-Q1032 HydrophobicContact CE1-CG 3.88Å; F1001-Q1032 HydrophobicContact CE2-CB 3.71Å; F1001-Q1032 HydrophobicContact CE2-CG 4.04Å; F1001-Q1032 HydrophobicContact CG-CB 4.46Å; F1001-Q1032 HydrophobicContact CG-CG 3.9Å; F1001-Q1032 HydrophobicContact CZ-CB 3.77Å; F1001-Q1032 HydrophobicContact CZ-CG 3.98Å; F1001-Q1032 WeakPolarHBondContact CZ-O 3.24Å; G1028-Q1032 VanDerWaalsContact CA-OE1 3.28Å; T1029-Q1032 WeakPolarHBondContact O-CB 3.31Å; T1029-Q1032 PolarHBondContact O-N 2.99Å; T1029-Q1032 VanDerWaalsContact OG1-CG 3.27Å; T1029-Q1032 WeakPolarHBondContact OG1-CG 3.1Å; T1029-Q1032 PolarHBondContact OG1-N 3.26Å; Q1032-I1035 PolarHBondContact O-N 2.85Å; Q1032-L1036 PolarHBondContact O-N 3.34Å |
| 1033 | K | 97.6 | Very high | 96.6 | Very high | 37 Ų | 37 | 54.1 Ų | 54.1 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 174.5 | -60.3 | -173.1 | -169.1 | -152.1 | 0 | 111.4 | F1025 E1026 G1028 T1029 P1030 E1031 L1036 A1037 S1063 | F1025-K1033 VanDerWaalsContact O-CD 3.26Å; F1025-K1033 WeakPolarHBondContact O-CD 3.37Å; F1025-K1033 WeakPolarHBondContact O-CE 3.4Å; F1025-K1033 PolarHBondContact O-NZ 3.43Å; E1026-K1033 PolarHBondContact O-NZ 3.27Å; G1028-K1033 WeakPolarHBondContact O-CE 3.37Å; T1029-K1033 WeakPolarHBondContact O-CG 3.36Å; T1029-K1033 PolarHBondContact O-N 3.41Å; P1030-K1033 PolarHBondContact O-N 2.92Å; E1031-K1033 VanDerWaalsContact C-N 3.33Å; E1031-K1033 PolarHBondContact O-N 3.46Å; K1033-L1036 PolarHBondContact O-N 3.47Å; K1033-A1037 WeakPolarHBondContact O-CB 3.18Å; K1033-A1037 PolarHBondContact O-N 2.99Å; K1033-S1063 WeakPolarHBondContact CD-O 3.21Å |
| 1034 | Q | 96 | Very high | 96.6 | Very high | 109 Ų | 109 | 52.4 Ų | 52.4 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 176.9 | -171 | -179.5 | 12.3 | 0 | 0 | 112.2 | P1030 E1031 A1037 Q1038 M1068 | P1030-Q1034 WeakPolarHBondContact O-CB 3.28Å; P1030-Q1034 PolarHBondContact O-N 2.8Å; E1031-Q1034 PolarHBondContact O-N 2.96Å; Q1034-A1037 PolarHBondContact O-N 3.13Å; Q1034-Q1038 WeakPolarHBondContact O-CG 3.42Å; Q1034-Q1038 PolarHBondContact O-N 3.22Å; Q1034-M1068 HydrophobicContact CG-CE 4.11Å |
| 1035 | I | 97.1 | Very high | 96.6 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 30% | 0.297 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 176.3 | -71.6 | 167.8 | 0 | 0 | 0 | 110.9 | F1001 L1005 E1031 Q1032 A1037 Q1038 R1039 | F1001-I1035 HydrophobicContact CE1-CB 4.32Å; F1001-I1035 HydrophobicContact CE1-CD1 4.32Å; F1001-I1035 HydrophobicContact CE1-CG2 3.99Å; F1001-I1035 HydrophobicContact CZ-CB 4.08Å; F1001-I1035 HydrophobicContact CZ-CG2 3.89Å; L1005-I1035 HydrophobicContact CD1-CG2 3.57Å; L1005-I1035 HydrophobicContact CD2-CG2 3.73Å; L1005-I1035 HydrophobicContact CG-CG2 4.32Å; E1031-I1035 HydrophobicContact CG-CD1 3.87Å; E1031-I1035 WeakPolarHBondContact O-CB 3.22Å; E1031-I1035 VanDerWaalsContact O-CG1 3.27Å; E1031-I1035 WeakPolarHBondContact O-CG1 3.39Å; E1031-I1035 PolarHBondContact O-N 3.23Å; Q1032-I1035 PolarHBondContact O-N 2.85Å; I1035-A1037 VanDerWaalsContact C-N 3.33Å; I1035-A1037 PolarHBondContact O-N 2.6Å; I1035-Q1038 PolarHBondContact O-N 3.08Å; I1035-R1039 WeakPolarHBondContact O-CG 3.5Å; I1035-R1039 PolarHBondContact O-N 2.92Å |
| 1036 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 174.1 | -72.9 | 175.1 | 0 | 0 | 0 | 112.2 | F1001 A1008 M1012 I1021 F1024 F1025 Q1032 K1033 Q1038 R1039 I1040 | F1001-L1036 HydrophobicContact CE2-CD1 3.89Å; F1001-L1036 HydrophobicContact CE2-CD2 4.11Å; F1001-L1036 HydrophobicContact CE2-CG 3.7Å; F1001-L1036 HydrophobicContact CZ-CD2 4.44Å; F1001-L1036 HydrophobicContact CZ-CG 4.03Å; A1008-L1036 HydrophobicContact CB-CD2 4.22Å; M1012-L1036 HydrophobicContact CE-CD2 4.26Å; I1021-L1036 HydrophobicContact CG2-CD1 4.29Å; I1021-L1036 HydrophobicContact CG2-CD2 4.46Å; F1024-L1036 HydrophobicContact CB-CD1 3.69Å; F1025-L1036 HydrophobicContact CD2-CD1 4.21Å; F1025-L1036 HydrophobicContact CE1-CB 3.83Å; F1025-L1036 HydrophobicContact CE2-CB 3.92Å; F1025-L1036 HydrophobicContact CE2-CD1 4.12Å; F1025-L1036 HydrophobicContact CZ-CB 3.43Å; F1025-L1036 VanDerWaalsContact CZ-CB 3.43Å; F1025-L1036 HydrophobicContact CZ-CD1 4.35Å; Q1032-L1036 PolarHBondContact O-N 3.34Å; K1033-L1036 PolarHBondContact O-N 3.47Å; L1036-Q1038 PolarHBondContact O-N 3.23Å; L1036-R1039 WeakPolarHBondContact O-CA 3.13Å; L1036-R1039 WeakPolarHBondContact O-CB 3.35Å; L1036-R1039 PolarHBondContact O-N 2.95Å; L1036-I1040 PolarHBondContact O-N 3.01Å; L1036-I1040 VanDerWaalsContact O-N 3.15Å |
| 1037 | A | 96.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1033 Q1034 I1035 R1039 I1040 R1041 V1064 M1068 | K1033-A1037 WeakPolarHBondContact O-CB 3.18Å; K1033-A1037 PolarHBondContact O-N 2.99Å; Q1034-A1037 PolarHBondContact O-N 3.13Å; I1035-A1037 VanDerWaalsContact C-N 3.33Å; I1035-A1037 PolarHBondContact O-N 2.6Å; A1037-R1039 PolarHBondContact O-N 2.82Å; A1037-I1040 WeakPolarHBondContact O-CG1 3.23Å; A1037-I1040 PolarHBondContact O-N 2.68Å; A1037-R1041 PolarHBondContact O-N 2.92Å; A1037-V1064 HydrophobicContact CB-CG1 4.17Å; A1037-M1068 HydrophobicContact CB-CE 4.11Å; A1037-M1068 HydrophobicContact CB-CG 3.37Å; A1037-M1068 HydrophobicContact CB-SD 3.53Å; A1037-M1068 VanDerWaalsContact CB-SD 3.53Å |
| 1038 | Q | 94.7 | Very high | 96.8 | Very high | 91 Ų | 91 | 51.9 Ų | 51.9 | 43% | 0.425 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.9 | -15.3 | 171.6 | -64.6 | -68.7 | -2.9 | 0 | 0 | 113.3 | Q1034 I1035 L1036 M1068 | Q1034-Q1038 WeakPolarHBondContact O-CG 3.42Å; Q1034-Q1038 PolarHBondContact O-N 3.22Å; I1035-Q1038 PolarHBondContact O-N 3.08Å; L1036-Q1038 PolarHBondContact O-N 3.23Å; Q1038-M1068 HydrophobicContact CG-CE 4.49Å |
| 1039 | R | 94.9 | Very high | 96.9 | Very high | 114 Ų | 114 | 53.3 Ų | 53.3 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -89.6 | -19.2 | 174.3 | -69.5 | -58.2 | -163.1 | 78.7 | 6 | 114.7 | L1005 I1035 L1036 A1037 | L1005-R1039 HydrophobicContact CD1-CG 4.03Å; L1005-R1039 PolarHBondContact O-NH1 3.11Å; I1035-R1039 WeakPolarHBondContact O-CG 3.5Å; I1035-R1039 PolarHBondContact O-N 2.92Å; L1036-R1039 WeakPolarHBondContact O-CA 3.13Å; L1036-R1039 WeakPolarHBondContact O-CB 3.35Å; L1036-R1039 PolarHBondContact O-N 2.95Å; A1037-R1039 PolarHBondContact O-N 2.82Å |
| 1040 | I | 96.3 | Very high | 97 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -87.5 | -16 | 169.1 | 59.9 | 173.7 | 0 | 0 | 0 | 112.7 | M1012 L1036 A1037 Q1043 V1044 L1047 I1057 A1060 I1072 | M1012-I1040 HydrophobicContact CE-CG2 3.49Å; M1012-I1040 VanDerWaalsContact CE-CG2 3.49Å; M1012-I1040 HydrophobicContact SD-CG2 3.61Å; L1036-I1040 PolarHBondContact O-N 3.01Å; L1036-I1040 VanDerWaalsContact O-N 3.15Å; A1037-I1040 WeakPolarHBondContact O-CG1 3.23Å; A1037-I1040 PolarHBondContact O-N 2.68Å; I1040-Q1043 CarbonylContact O-C 3.59Å; I1040-Q1043 WeakPolarHBondContact O-CA 3.47Å; I1040-Q1043 WeakPolarHBondContact O-CB 3.42Å; I1040-Q1043 PolarHBondContact O-N 3.3Å; I1040-V1044 WeakPolarHBondContact O-CG2 3.4Å; I1040-V1044 PolarHBondContact O-N 2.89Å; I1040-L1047 HydrophobicContact CB-CD1 3.9Å; I1040-L1047 HydrophobicContact CG2-CD1 3.62Å; I1040-I1057 HydrophobicContact CB-CD1 4.05Å; I1040-I1057 HydrophobicContact CD1-CD1 3.75Å; I1040-I1057 HydrophobicContact CG1-CD1 4.44Å; I1040-I1057 HydrophobicContact CG2-CD1 4.18Å; I1040-A1060 HydrophobicContact CD1-CB 3.95Å; I1040-I1072 HydrophobicContact CD1-CD1 3.74Å; I1040-I1072 HydrophobicContact CD1-CG1 3.94Å |
| 1041 | R | 94 | Very high | 97 | Very high | 143 Ų | 143 | 53.9 Ų | 53.9 | 54% | 0.54 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 135.2 | 178.6 | -161.9 | -176.5 | -178.8 | 179.7 | 1.8 | 111.8 | A1037 Q1043 E1075 | A1037-R1041 PolarHBondContact O-N 2.92Å; R1041-Q1043 PolarHBondContact O-N 3.22Å; R1041-E1075 WeakPolarHBondContact CA-OE1 3.5Å; R1041-E1075 WeakPolarHBondContact CG-OE1 3.28Å |
| 1042 | G | 95.8 | Very high | 97.1 | Very high | 57 Ų | 57 | 50.3 Ų | 50.3 | 59% | 0.588 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 4.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | E1075 | G1042-E1075 VanDerWaalsContact CA-OE2 3.3Å; G1042-E1075 WeakPolarHBondContact CA-OE2 3.23Å; G1042-E1075 PolarHBondContact N-OE1 3.1Å; G1042-E1075 PolarHBondContact N-OE2 3.22Å |
| 1043 | Q | 97.2 | Very high | 97.2 | Very high | 79 Ų | 79 | 49.9 Ų | 49.9 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | trans | -132.5 | 4 | -179.4 | -63.7 | -61.6 | -36.9 | 0 | 0 | 112.6 | Y1009 I1040 R1041 L1045 S1046 L1047 E1075 | Y1009-Q1043 HydrophobicContact CD2-CG 4.45Å; Y1009-Q1043 HydrophobicContact CE2-CB 4.16Å; Y1009-Q1043 HydrophobicContact CE2-CG 4.11Å; I1040-Q1043 CarbonylContact O-C 3.59Å; I1040-Q1043 WeakPolarHBondContact O-CA 3.47Å; I1040-Q1043 WeakPolarHBondContact O-CB 3.42Å; I1040-Q1043 PolarHBondContact O-N 3.3Å; R1041-Q1043 PolarHBondContact O-N 3.22Å; Q1043-L1045 VanDerWaalsContact C-N 3.35Å; Q1043-L1045 PolarHBondContact O-N 3.17Å; Q1043-S1046 WeakPolarHBondContact O-CB 3.36Å; Q1043-S1046 PolarHBondContact O-N 3Å; Q1043-S1046 VanDerWaalsContact O-N 3.08Å; Q1043-L1047 HydrophobicContact CB-CD1 4.2Å; Q1043-L1047 HydrophobicContact CB-CG 4.46Å; Q1043-L1047 PolarHBondContact O-N 2.71Å; Q1043-E1075 PolarHBondContact N-OE2 3.06Å | ||
| 1044 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | -172.2 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | I1040 L1047 S1048 I1057 I1072 E1075 L1076 | I1040-V1044 WeakPolarHBondContact O-CG2 3.4Å; I1040-V1044 PolarHBondContact O-N 2.89Å; V1044-L1047 PolarHBondContact O-N 3.23Å; V1044-S1048 WeakPolarHBondContact O-CB 3.21Å; V1044-S1048 PolarHBondContact O-N 3.18Å; V1044-S1048 PolarHBondContact O-OG 3.35Å; V1044-I1057 HydrophobicContact CG1-CD1 4.39Å; V1044-I1057 HydrophobicContact CG1-CG2 4.24Å; V1044-I1072 HydrophobicContact CG1-CG2 3.79Å; V1044-I1072 HydrophobicContact CG2-CB 4.49Å; V1044-I1072 HydrophobicContact CG2-CG2 3.98Å; V1044-E1075 HydrophobicContact CB-CB 3.77Å; V1044-E1075 HydrophobicContact CB-CG 4.49Å; V1044-E1075 WeakPolarHBondContact CB-OE2 3.5Å; V1044-E1075 HydrophobicContact CG1-CB 4.37Å; V1044-E1075 HydrophobicContact CG2-CB 4.12Å; V1044-E1075 HydrophobicContact CG2-CG 4.38Å; V1044-E1075 VanDerWaalsContact CG2-OE2 3.28Å; V1044-E1075 WeakPolarHBondContact CG2-OE2 3.44Å; V1044-E1075 PolarHBondContact N-OE2 3.28Å; V1044-L1076 HydrophobicContact CG1-CD2 4.01Å; V1044-L1076 HydrophobicContact CG1-CG 4.32Å |
| 1045 | L | 98.2 | Very high | 97.4 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 27% | 0.272 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 175.5 | 177.7 | 59.3 | 0 | 0 | 0 | 112.7 | Q1043 S1048 L1049 C1079 C1083 | Q1043-L1045 VanDerWaalsContact C-N 3.35Å; Q1043-L1045 PolarHBondContact O-N 3.17Å; L1045-S1048 PolarHBondContact O-N 3.25Å; L1045-L1049 HydrophobicContact CD1-CD1 3.79Å; L1045-L1049 HydrophobicContact CD1-CG 4.18Å; L1045-L1049 HydrophobicContact CG-CD1 4.23Å; L1045-L1049 WeakPolarHBondContact O-CG 3.23Å; L1045-L1049 PolarHBondContact O-N 3.28Å; L1045-C1079 HydrophobicContact CD1-CB 4.29Å; L1045-C1079 HydrophobicContact CD2-CB 4.14Å; L1045-C1083 WeakPolarHBondContact CD1-SG 3.4Å |
| 1046 | S | 98.2 | Very high | 97.4 | Very high | 54 Ų | 54 | 45 Ų | 45 | 38% | 0.378 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.7 | -50.9 | 178.1 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | Y1009 Q1043 Q1050 | Y1009-S1046 PolarHBondContact OH-OG 3.39Å; Q1043-S1046 WeakPolarHBondContact O-CB 3.36Å; Q1043-S1046 PolarHBondContact O-N 3Å; Q1043-S1046 VanDerWaalsContact O-N 3.08Å; S1046-Q1050 PolarHBondContact O-N 3.26Å |
| 1047 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.1 | -38 | 179.7 | -67.7 | 169.4 | 0 | 0 | 0 | 112.1 | Y1009 M1012 I1013 I1040 Q1043 V1044 L1049 Q1050 G1053 C1054 I1057 | Y1009-L1047 HydrophobicContact CD2-CD2 4.22Å; Y1009-L1047 HydrophobicContact CE2-CD1 4.49Å; Y1009-L1047 HydrophobicContact CE2-CD2 3.83Å; Y1009-L1047 HydrophobicContact CE2-CG 4.13Å; M1012-L1047 HydrophobicContact CB-CD2 4.04Å; M1012-L1047 HydrophobicContact SD-CD1 4.12Å; I1013-L1047 HydrophobicContact CG2-CD2 3.7Å; I1040-L1047 HydrophobicContact CB-CD1 3.9Å; I1040-L1047 HydrophobicContact CG2-CD1 3.62Å; Q1043-L1047 HydrophobicContact CB-CD1 4.2Å; Q1043-L1047 HydrophobicContact CB-CG 4.46Å; Q1043-L1047 PolarHBondContact O-N 2.71Å; V1044-L1047 PolarHBondContact O-N 3.23Å; L1047-L1049 VanDerWaalsContact C-N 3.28Å; L1047-L1049 PolarHBondContact O-N 3.16Å; L1047-Q1050 PolarHBondContact O-N 3.35Å; L1047-G1053 CarbonylContact O-C 3.54Å; L1047-G1053 WeakPolarHBondContact O-CA 3.34Å; L1047-C1054 PolarHBondContact O-N 2.8Å; L1047-I1057 HydrophobicContact CB-CD1 3.9Å; L1047-I1057 HydrophobicContact CB-CG1 3.7Å; L1047-I1057 HydrophobicContact CD1-CD1 3.96Å |
| 1048 | S | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -30.8 | -178.4 | -63.3 | 0 | 0 | 0 | 0 | 113.7 | V1044 L1045 C1054 N1088 G1089 | V1044-S1048 WeakPolarHBondContact O-CB 3.21Å; V1044-S1048 PolarHBondContact O-N 3.18Å; V1044-S1048 PolarHBondContact O-OG 3.35Å; L1045-S1048 PolarHBondContact O-N 3.25Å; S1048-C1054 VanDerWaalsContact O-CB 3.32Å; S1048-C1054 WeakPolarHBondContact O-CB 3.4Å; S1048-N1088 CarbonylContact O-C 3.32Å; S1048-N1088 WeakPolarHBondContact O-CB 3.16Å; S1048-G1089 WeakPolarHBondContact O-CA 3.35Å; S1048-G1089 PolarHBondContact O-N 3.32Å |
| 1049 | L | 98.5 | Very high | 97.8 | Very high | 41 Ų | 41 | 43.8 Ų | 43.8 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -8.1 | 176.7 | -59.9 | 170.5 | 0 | 0 | 0 | 112.6 | L1045 L1047 K1082 D1086 N1088 | L1045-L1049 HydrophobicContact CD1-CD1 3.79Å; L1045-L1049 HydrophobicContact CD1-CG 4.18Å; L1045-L1049 HydrophobicContact CG-CD1 4.23Å; L1045-L1049 WeakPolarHBondContact O-CG 3.23Å; L1045-L1049 PolarHBondContact O-N 3.28Å; L1047-L1049 VanDerWaalsContact C-N 3.28Å; L1047-L1049 PolarHBondContact O-N 3.16Å; L1049-K1082 VanDerWaalsContact CD1-CE 3.42Å; L1049-D1086 HydrophobicContact CD2-CB 3.54Å; L1049-D1086 WeakPolarHBondContact CD2-OD2 3.32Å; L1049-N1088 PolarHBondContact O-ND2 3.16Å |
| 1050 | Q | 98.3 | Very high | 97.9 | Very high | 56 Ų | 56 | 38.4 Ų | 38.4 | 26% | 0.262 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -94.4 | 137 | -176.7 | -152.4 | -79.8 | -12.9 | 0 | 0 | 111.1 | I1013 S1046 L1047 Y1052 G1053 C1054 | I1013-Q1050 HydrophobicContact CB-CG 4.36Å; I1013-Q1050 HydrophobicContact CG2-CG 3.95Å; I1013-Q1050 PolarHBondContact O-NE2 2.97Å; S1046-Q1050 PolarHBondContact O-N 3.26Å; L1047-Q1050 PolarHBondContact O-N 3.35Å; Q1050-Y1052 VanDerWaalsContact C-N 3.27Å; Q1050-Y1052 PolarHBondContact O-N 2.84Å; Q1050-Y1052 VanDerWaalsContact O-N 3.13Å; Q1050-G1053 PolarHBondContact O-N 2.92Å; Q1050-C1054 VanDerWaalsContact O-CB 3.25Å; Q1050-C1054 WeakPolarHBondContact O-CB 3.49Å; Q1050-C1054 PolarHBondContact O-N 3.1Å; Q1050-C1054 PolarHBondContact O-SG 3.29Å; Q1050-C1054 VanDerWaalsContact O-SG 3.41Å |
| 1051 | M | 97.8 | Very high | 98 | Very high | 102 Ų | 102 | 38.4 Ų | 38.4 | 50% | 0.502 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.9 | -169.7 | 178 | 166.5 | 48.7 | 0 | 0 | 116 | N1088 | M1051-N1088 PolarHBondContact N-ND2 2.96Š|
| 1052 | Y | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 34.9 Ų | 34.9 | 21% | 0.212 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -38.7 | 177.4 | -46.8 | -60.4 | 0 | 0 | 0 | 111.1 | M1012 I1013 V1015 Q1050 C1054 R1055 V1056 | M1012-Y1052 CarbonylContact O-C 3.35Å; I1013-Y1052 VanDerWaalsContact O-CD2 3.31Å; I1013-Y1052 WeakPolarHBondContact O-CD2 3.36Å; V1015-Y1052 HydrophobicContact CB-CE1 4.15Å; V1015-Y1052 HydrophobicContact CB-CE2 3.92Å; V1015-Y1052 HydrophobicContact CG2-CE1 3.92Å; V1015-Y1052 HydrophobicContact CG2-CE2 4.49Å; V1015-Y1052 WeakPolarHBondContact CG2-OH 3.47Å; Q1050-Y1052 VanDerWaalsContact C-N 3.27Å; Q1050-Y1052 PolarHBondContact O-N 2.84Å; Q1050-Y1052 VanDerWaalsContact O-N 3.13Å; Y1052-C1054 PolarHBondContact O-N 3Å; Y1052-R1055 VanDerWaalsContact O-CB 3.31Å; Y1052-R1055 WeakPolarHBondContact O-CB 3.38Å; Y1052-R1055 PolarHBondContact O-N 3.28Å; Y1052-V1056 PolarHBondContact O-N 2.96Å |
| 1053 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.4 | -36.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1012 L1047 Q1050 R1055 V1056 I1057 | M1012-G1053 WeakPolarHBondContact O-CA 3.45Å; M1012-G1053 PolarHBondContact O-N 3.45Å; L1047-G1053 CarbonylContact O-C 3.54Å; L1047-G1053 WeakPolarHBondContact O-CA 3.34Å; Q1050-G1053 PolarHBondContact O-N 2.92Å; G1053-R1055 PolarHBondContact O-N 3.45Å; G1053-V1056 WeakPolarHBondContact O-CB 3.43Å; G1053-V1056 PolarHBondContact O-N 3.19Å; G1053-V1056 VanDerWaalsContact O-N 3.07Å; G1053-I1057 WeakPolarHBondContact O-CG1 3.34Å; G1053-I1057 PolarHBondContact O-N 3.26Å |
| 1054 | C | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.9 | -31.1 | 178.2 | 75.3 | 0 | 0 | 0 | 0 | 112 | L1047 S1048 Q1050 Y1052 I1057 Q1058 N1088 V1092 | L1047-C1054 PolarHBondContact O-N 2.8Å; S1048-C1054 VanDerWaalsContact O-CB 3.32Å; S1048-C1054 WeakPolarHBondContact O-CB 3.4Å; Q1050-C1054 VanDerWaalsContact O-CB 3.25Å; Q1050-C1054 WeakPolarHBondContact O-CB 3.49Å; Q1050-C1054 PolarHBondContact O-N 3.1Å; Q1050-C1054 PolarHBondContact O-SG 3.29Å; Q1050-C1054 VanDerWaalsContact O-SG 3.41Å; Y1052-C1054 PolarHBondContact O-N 3Å; C1054-I1057 PolarHBondContact O-N 3.3Å; C1054-Q1058 VanDerWaalsContact C-NE2 3.3Å; C1054-Q1058 WeakPolarHBondContact O-CB 3.36Å; C1054-Q1058 VanDerWaalsContact O-CG 3.32Å; C1054-Q1058 WeakPolarHBondContact O-CG 3.23Å; C1054-Q1058 PolarHBondContact O-N 2.94Å; C1054-Q1058 PolarHBondContact O-NE2 2.79Å; C1054-N1088 HydrophobicContact CB-CB 3.87Å; C1054-V1092 HydrophobicContact CB-CG2 3.98Å |
| 1055 | R | 98.7 | Very high | 98.1 | Very high | 102 Ų | 102 | 34.4 Ų | 34.4 | 39% | 0.385 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -71.8 | -37.4 | 176 | -51.7 | -59.2 | 177.2 | 176.1 | -1.7 | 110.9 | Y1052 G1053 K1059 | Y1052-R1055 VanDerWaalsContact O-CB 3.31Å; Y1052-R1055 WeakPolarHBondContact O-CB 3.38Å; Y1052-R1055 PolarHBondContact O-N 3.28Å; G1053-R1055 PolarHBondContact O-N 3.45Å; R1055-K1059 WeakPolarHBondContact O-CB 3.44Å; R1055-K1059 PolarHBondContact O-N 2.92Å |
| 1056 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.5 | -45.4 | 171.9 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | M1012 N1018 I1021 Q1022 F1025 Y1052 G1053 Q1058 K1059 A1060 | M1012-V1056 HydrophobicContact CB-CG2 4.14Å; M1012-V1056 HydrophobicContact CE-CG1 4.47Å; M1012-V1056 HydrophobicContact CG-CB 4.45Å; M1012-V1056 HydrophobicContact CG-CG1 4.06Å; M1012-V1056 HydrophobicContact CG-CG2 4.15Å; N1018-V1056 HydrophobicContact CB-CG2 4.04Å; I1021-V1056 HydrophobicContact CG2-CG1 3.71Å; I1021-V1056 HydrophobicContact CG2-CG2 4.48Å; Q1022-V1056 HydrophobicContact CG-CG2 4.29Å; F1025-V1056 HydrophobicContact CD2-CG1 3.98Å; F1025-V1056 HydrophobicContact CE2-CG1 3.6Å; Y1052-V1056 PolarHBondContact O-N 2.96Å; G1053-V1056 WeakPolarHBondContact O-CB 3.43Å; G1053-V1056 PolarHBondContact O-N 3.19Å; G1053-V1056 VanDerWaalsContact O-N 3.07Å; V1056-Q1058 PolarHBondContact O-N 3.18Å; V1056-K1059 PolarHBondContact O-N 3.45Å; V1056-A1060 VanDerWaalsContact O-CB 3.29Å; V1056-A1060 WeakPolarHBondContact O-CB 3.47Å; V1056-A1060 PolarHBondContact O-N 3.34Å |
| 1057 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -43.3 | 178 | -59.9 | -59.5 | 0 | 0 | 0 | 111 | I1040 V1044 L1047 G1053 C1054 A1060 V1061 I1072 V1092 | I1040-I1057 HydrophobicContact CB-CD1 4.05Å; I1040-I1057 HydrophobicContact CD1-CD1 3.75Å; I1040-I1057 HydrophobicContact CG1-CD1 4.44Å; I1040-I1057 HydrophobicContact CG2-CD1 4.18Å; V1044-I1057 HydrophobicContact CG1-CD1 4.39Å; V1044-I1057 HydrophobicContact CG1-CG2 4.24Å; L1047-I1057 HydrophobicContact CB-CD1 3.9Å; L1047-I1057 HydrophobicContact CB-CG1 3.7Å; L1047-I1057 HydrophobicContact CD1-CD1 3.96Å; G1053-I1057 WeakPolarHBondContact O-CG1 3.34Å; G1053-I1057 PolarHBondContact O-N 3.26Å; C1054-I1057 PolarHBondContact O-N 3.3Å; I1057-A1060 PolarHBondContact O-N 3.01Å; I1057-V1061 WeakPolarHBondContact O-CG2 3.48Å; I1057-V1061 PolarHBondContact O-N 2.86Å; I1057-I1072 HydrophobicContact CG2-CG2 4.19Å; I1057-V1092 HydrophobicContact CB-CG2 4.23Å; I1057-V1092 HydrophobicContact CG2-CG1 3.62Å; I1057-V1092 HydrophobicContact CG2-CG2 4.21Å |
| 1058 | Q | 98.7 | Very high | 97.7 | Very high | 24 Ų | 24 | 41.9 Ų | 41.9 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.1 | -53.3 | 172.7 | -79.1 | 160 | 77 | 0 | 0 | 111.3 | C1054 V1056 A1060 V1061 E1062 V1092 K1095 | C1054-Q1058 VanDerWaalsContact C-NE2 3.3Å; C1054-Q1058 WeakPolarHBondContact O-CB 3.36Å; C1054-Q1058 VanDerWaalsContact O-CG 3.32Å; C1054-Q1058 WeakPolarHBondContact O-CG 3.23Å; C1054-Q1058 PolarHBondContact O-N 2.94Å; C1054-Q1058 PolarHBondContact O-NE2 2.79Å; V1056-Q1058 PolarHBondContact O-N 3.18Å; Q1058-A1060 VanDerWaalsContact C-N 3.3Å; Q1058-A1060 PolarHBondContact O-N 3.46Å; Q1058-V1061 PolarHBondContact O-N 2.99Å; Q1058-E1062 WeakPolarHBondContact O-CG 3.46Å; Q1058-E1062 PolarHBondContact O-N 3.08Å; Q1058-E1062 VanDerWaalsContact O-N 3.1Å; Q1058-V1092 HydrophobicContact CG-CG2 4.34Å; Q1058-K1095 HydrophobicContact CB-CB 4.49Å; Q1058-K1095 HydrophobicContact CB-CG 4.15Å; Q1058-K1095 HydrophobicContact CG-CB 3.89Å; Q1058-K1095 HydrophobicContact CG-CG 4.1Å |
| 1059 | K | 98.5 | Very high | 97.6 | Very high | 42 Ų | 42 | 43 Ų | 43 | 18% | 0.183 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.2 | -31.5 | 179.6 | -174.4 | 54.5 | 61.9 | -163.9 | 0 | 113 | Q1022 F1025 R1055 V1056 E1062 S1063 | Q1022-K1059 HydrophobicContact CB-CB 4.39Å; Q1022-K1059 HydrophobicContact CB-CG 4.04Å; Q1022-K1059 HydrophobicContact CG-CB 3.91Å; Q1022-K1059 HydrophobicContact CG-CG 4.13Å; F1025-K1059 HydrophobicContact CB-CG 3.91Å; R1055-K1059 WeakPolarHBondContact O-CB 3.44Å; R1055-K1059 PolarHBondContact O-N 2.92Å; V1056-K1059 PolarHBondContact O-N 3.45Å; K1059-E1062 VanDerWaalsContact CE-OE2 3.25Å; K1059-E1062 WeakPolarHBondContact CE-OE2 3.32Å; K1059-E1062 IonicContact NZ-OE2 3.89Å; K1059-E1062 PolarHBondContact NZ-OE2 3.17Å; K1059-S1063 VanDerWaalsContact O-CB 3.22Å; K1059-S1063 WeakPolarHBondContact O-CB 3.24Å; K1059-S1063 PolarHBondContact O-N 3.18Å; K1059-S1063 PolarHBondContact O-OG 2.67Å |
| 1060 | A | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.4 | -50.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1025 I1040 V1056 I1057 Q1058 E1062 S1063 V1064 I1072 | F1025-A1060 HydrophobicContact CD1-CB 4.02Å; F1025-A1060 HydrophobicContact CD2-CB 4.28Å; F1025-A1060 HydrophobicContact CE1-CB 3.69Å; F1025-A1060 HydrophobicContact CE2-CB 3.96Å; F1025-A1060 HydrophobicContact CG-CB 4.3Å; F1025-A1060 HydrophobicContact CZ-CB 3.64Å; I1040-A1060 HydrophobicContact CD1-CB 3.95Å; V1056-A1060 VanDerWaalsContact O-CB 3.29Å; V1056-A1060 WeakPolarHBondContact O-CB 3.47Å; V1056-A1060 PolarHBondContact O-N 3.34Å; I1057-A1060 PolarHBondContact O-N 3.01Å; Q1058-A1060 VanDerWaalsContact C-N 3.3Å; Q1058-A1060 PolarHBondContact O-N 3.46Å; A1060-E1062 VanDerWaalsContact C-N 3.27Å; A1060-E1062 PolarHBondContact O-N 3.35Å; A1060-S1063 PolarHBondContact O-N 3.36Å; A1060-V1064 WeakPolarHBondContact O-CG1 3.45Å; A1060-V1064 VanDerWaalsContact O-CG2 3.32Å; A1060-V1064 WeakPolarHBondContact O-CG2 3.48Å; A1060-V1064 PolarHBondContact O-N 3.17Å; A1060-I1072 HydrophobicContact CB-CD1 4.41Å |
| 1061 | V | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.5 | -41 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | I1057 Q1058 S1063 Q1069 I1072 K1095 N1099 V1100 | I1057-V1061 WeakPolarHBondContact O-CG2 3.48Å; I1057-V1061 PolarHBondContact O-N 2.86Å; Q1058-V1061 PolarHBondContact O-N 2.99Å; V1061-S1063 VanDerWaalsContact C-N 3.26Å; V1061-S1063 PolarHBondContact O-N 3.03Å; V1061-Q1069 PolarHBondContact O-NE2 3.01Å; V1061-I1072 HydrophobicContact CG2-CG2 4.05Å; V1061-K1095 HydrophobicContact CB-CG 4.46Å; V1061-K1095 HydrophobicContact CG1-CG 4.37Å; V1061-N1099 HydrophobicContact CG1-CB 3.91Å; V1061-V1100 HydrophobicContact CG1-CG2 4.1Å |
| 1062 | E | 97.6 | Very high | 97.4 | Very high | 70 Ų | 70 | 36.5 Ų | 36.5 | 33% | 0.327 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.2 | -19.1 | 175.7 | -68.3 | 172 | 162.4 | 0 | 0 | 114.7 | Q1058 K1059 A1060 K1095 | Q1058-E1062 WeakPolarHBondContact O-CG 3.46Å; Q1058-E1062 PolarHBondContact O-N 3.08Å; Q1058-E1062 VanDerWaalsContact O-N 3.1Å; K1059-E1062 VanDerWaalsContact CE-OE2 3.25Å; K1059-E1062 WeakPolarHBondContact CE-OE2 3.32Å; K1059-E1062 IonicContact NZ-OE2 3.89Å; K1059-E1062 PolarHBondContact NZ-OE2 3.17Å; A1060-E1062 VanDerWaalsContact C-N 3.27Å; A1060-E1062 PolarHBondContact O-N 3.35Å; E1062-K1095 HydrophobicContact CG-CD 3.68Å; E1062-K1095 HydrophobicContact CG-CG 4.24Å; E1062-K1095 WeakPolarHBondContact OE1-CD 3.25Å; E1062-K1095 WeakPolarHBondContact OE1-CE 3.32Å; E1062-K1095 IonicContact OE1-NZ 3.55Å; E1062-K1095 PolarHBondContact OE1-NZ 3.41Å |
| 1063 | S | 96.4 | Very high | 97.4 | Very high | 28 Ų | 28 | 34 Ų | 34 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -128.1 | -6.6 | -162.3 | -47.3 | 0 | 0 | 0 | 0 | 116.5 | F1025 K1033 K1059 A1060 V1061 | F1025-S1063 WeakPolarHBondContact O-CB 3.33Å; F1025-S1063 PolarHBondContact O-OG 3.44Å; K1033-S1063 WeakPolarHBondContact CD-O 3.21Å; K1059-S1063 VanDerWaalsContact O-CB 3.22Å; K1059-S1063 WeakPolarHBondContact O-CB 3.24Å; K1059-S1063 PolarHBondContact O-N 3.18Å; K1059-S1063 PolarHBondContact O-OG 2.67Å; A1060-S1063 PolarHBondContact O-N 3.36Å; V1061-S1063 VanDerWaalsContact C-N 3.26Å; V1061-S1063 PolarHBondContact O-N 3.03Å |
| 1064 | V | 96.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 6% | 0.061 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -101.9 | 156.3 | 179 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | F1025 A1037 A1060 M1068 Q1069 I1072 | F1025-V1064 HydrophobicContact CD1-CG1 3.98Å; F1025-V1064 HydrophobicContact CE1-CG1 3.78Å; A1037-V1064 HydrophobicContact CB-CG1 4.17Å; A1060-V1064 WeakPolarHBondContact O-CG1 3.45Å; A1060-V1064 VanDerWaalsContact O-CG2 3.32Å; A1060-V1064 WeakPolarHBondContact O-CG2 3.48Å; A1060-V1064 PolarHBondContact O-N 3.17Å; V1064-M1068 HydrophobicContact CB-CB 4.01Å; V1064-M1068 HydrophobicContact CB-CG 4.02Å; V1064-M1068 HydrophobicContact CG1-CG 4.41Å; V1064-M1068 HydrophobicContact CG2-CB 3.75Å; V1064-M1068 HydrophobicContact CG2-CG 3.83Å; V1064-Q1069 HydrophobicContact CG2-CG 3.79Å; V1064-I1072 HydrophobicContact CG2-CD1 3.99Å |
| 1065 | P | 95.6 | Very high | 97.3 | Very high | 87 Ų | 87 | 42.6 Ų | 42.6 | 57% | 0.565 | 21% | 0.21 | S | C | * | . | trans | -59.2 | 152.7 | 174.6 | -24 | 34.8 | 0 | 0 | 0 | 113.2 | E1067 M1068 Q1069 | P1065-E1067 VanDerWaalsContact C-N 3.35Å; P1065-E1067 PolarHBondContact O-N 3.27Å; P1065-M1068 WeakPolarHBondContact O-CA 3.4Å; P1065-M1068 VanDerWaalsContact O-CB 3.3Å; P1065-M1068 WeakPolarHBondContact O-CB 3.32Å; P1065-M1068 PolarHBondContact O-N 2.79Å; P1065-Q1069 PolarHBondContact O-N 3.4Å | ||
| 1066 | L | 96.4 | Very high | 97.3 | Very high | 75 Ų | 75 | 37.8 Ų | 37.8 | 39% | 0.393 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -49.2 | -45.5 | -175.1 | 175.1 | 57.8 | 0 | 0 | 0 | 114.7 | M1068 Q1069 I1070 P1101 | L1066-M1068 PolarHBondContact O-N 2.79Å; L1066-Q1069 WeakPolarHBondContact O-CB 3.46Å; L1066-Q1069 PolarHBondContact O-N 3.36Å; L1066-Q1069 VanDerWaalsContact O-N 3.1Å; L1066-I1070 HydrophobicContact CD1-CD1 3.81Å; L1066-I1070 HydrophobicContact CD1-CG1 3.93Å; L1066-I1070 HydrophobicContact CG-CD1 3.82Å; L1066-I1070 HydrophobicContact CG-CG1 4.43Å; L1066-I1070 WeakPolarHBondContact O-CD1 3.16Å; L1066-I1070 VanDerWaalsContact O-CG1 3.25Å; L1066-I1070 WeakPolarHBondContact O-CG1 3.39Å; L1066-I1070 PolarHBondContact O-N 2.86Å; L1066-P1101 VanDerWaalsContact CD1-CD 3.4Å; L1066-P1101 HydrophobicContact CD1-CG 3.81Å; L1066-P1101 HydrophobicContact CD2-CG 4.23Å |
| 1067 | E | 95.7 | Very high | 97.2 | Very high | 168 Ų | 168 | 42.5 Ų | 42.5 | 79% | 0.785 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -53.5 | -39.6 | 176.1 | -174 | -173.1 | 179.6 | 0 | 0 | 112.3 | P1065 S1071 | P1065-E1067 VanDerWaalsContact C-N 3.35Å; P1065-E1067 PolarHBondContact O-N 3.27Å; E1067-S1071 PolarHBondContact O-N 3.49Å; E1067-S1071 VanDerWaalsContact O-N 3.09Å |
| 1068 | M | 95.1 | Very high | 97.2 | Very high | 21 Ų | 21 | 46.4 Ų | 46.4 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -77.5 | -37.3 | 178.9 | -167.7 | 62.8 | 66 | 0 | 0 | 112 | Q1034 A1037 Q1038 V1064 P1065 L1066 I1070 S1071 I1072 | Q1034-M1068 HydrophobicContact CG-CE 4.11Å; A1037-M1068 HydrophobicContact CB-CE 4.11Å; A1037-M1068 HydrophobicContact CB-CG 3.37Å; A1037-M1068 HydrophobicContact CB-SD 3.53Å; A1037-M1068 VanDerWaalsContact CB-SD 3.53Å; Q1038-M1068 HydrophobicContact CG-CE 4.49Å; V1064-M1068 HydrophobicContact CB-CB 4.01Å; V1064-M1068 HydrophobicContact CB-CG 4.02Å; V1064-M1068 HydrophobicContact CG1-CG 4.41Å; V1064-M1068 HydrophobicContact CG2-CB 3.75Å; V1064-M1068 HydrophobicContact CG2-CG 3.83Å; P1065-M1068 WeakPolarHBondContact O-CA 3.4Å; P1065-M1068 VanDerWaalsContact O-CB 3.3Å; P1065-M1068 WeakPolarHBondContact O-CB 3.32Å; P1065-M1068 PolarHBondContact O-N 2.79Å; L1066-M1068 PolarHBondContact O-N 2.79Å; M1068-I1070 VanDerWaalsContact C-N 3.32Å; M1068-I1070 PolarHBondContact O-N 2.73Å; M1068-S1071 PolarHBondContact O-N 3.4Å; M1068-I1072 HydrophobicContact CG-CD1 4.21Å; M1068-I1072 WeakPolarHBondContact O-CD1 3.42Å; M1068-I1072 VanDerWaalsContact O-CG1 3.28Å; M1068-I1072 WeakPolarHBondContact O-CG1 3.48Å; M1068-I1072 PolarHBondContact O-N 2.84Å |
| 1069 | Q | 97.2 | Very high | 97.1 | Very high | 22 Ų | 22 | 46.2 Ų | 46.2 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.9 | -49.7 | 170.8 | -61.8 | 177 | -38.5 | 0 | 0 | 110 | V1061 V1064 P1065 L1066 S1071 I1072 V1073 V1100 | V1061-Q1069 PolarHBondContact O-NE2 3.01Å; V1064-Q1069 HydrophobicContact CG2-CG 3.79Å; P1065-Q1069 PolarHBondContact O-N 3.4Å; L1066-Q1069 WeakPolarHBondContact O-CB 3.46Å; L1066-Q1069 PolarHBondContact O-N 3.36Å; L1066-Q1069 VanDerWaalsContact O-N 3.1Å; Q1069-S1071 VanDerWaalsContact C-N 3.31Å; Q1069-S1071 PolarHBondContact O-N 2.81Å; Q1069-I1072 PolarHBondContact O-N 3.3Å; Q1069-I1072 VanDerWaalsContact O-N 3.11Å; Q1069-V1073 WeakPolarHBondContact O-CG2 3.41Å; Q1069-V1073 PolarHBondContact O-N 3.02Å; Q1069-V1100 HydrophobicContact CB-CG2 3.85Å |
| 1070 | I | 97.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 14% | 0.138 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 177.7 | -62.5 | 159.6 | 0 | 0 | 0 | 111 | L1066 M1068 I1072 K1074 V1100 H1104 | L1066-I1070 HydrophobicContact CD1-CD1 3.81Å; L1066-I1070 HydrophobicContact CD1-CG1 3.93Å; L1066-I1070 HydrophobicContact CG-CD1 3.82Å; L1066-I1070 HydrophobicContact CG-CG1 4.43Å; L1066-I1070 WeakPolarHBondContact O-CD1 3.16Å; L1066-I1070 VanDerWaalsContact O-CG1 3.25Å; L1066-I1070 WeakPolarHBondContact O-CG1 3.39Å; L1066-I1070 PolarHBondContact O-N 2.86Å; M1068-I1070 VanDerWaalsContact C-N 3.32Å; M1068-I1070 PolarHBondContact O-N 2.73Å; I1070-I1072 VanDerWaalsContact C-N 3.34Å; I1070-I1072 PolarHBondContact O-N 3.05Å; I1070-K1074 HydrophobicContact CG2-CD 3.88Å; I1070-K1074 HydrophobicContact CG2-CG 4.41Å; I1070-K1074 WeakPolarHBondContact O-CB 3.47Å; I1070-K1074 VanDerWaalsContact O-CG 3.29Å; I1070-K1074 WeakPolarHBondContact O-CG 3.25Å; I1070-K1074 PolarHBondContact O-N 3.31Å; I1070-V1100 HydrophobicContact CG1-CG1 4.46Å; I1070-H1104 WeakPolarHBondContact CD1-CD2 3.1Å; I1070-H1104 VanDerWaalsContact CD1-NE2 3.32Å; I1070-H1104 WeakPolarHBondContact CD1-NE2 3.38Å; I1070-H1104 HydrophobicContact CG1-CB 4.22Å; I1070-H1104 VanDerWaalsContact CG1-CD2 3.42Å; I1070-H1104 WeakPolarHBondContact CG1-CD2 3.33Å |
| 1071 | S | 96.5 | Very high | 97.1 | Very high | 33 Ų | 33 | 46.4 Ų | 46.4 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.9 | -33.7 | 177 | -171.5 | 0 | 0 | 0 | 0 | 113.3 | E1067 M1068 Q1069 | E1067-S1071 PolarHBondContact O-N 3.49Å; E1067-S1071 VanDerWaalsContact O-N 3.09Å; M1068-S1071 PolarHBondContact O-N 3.4Å; Q1069-S1071 VanDerWaalsContact C-N 3.31Å; Q1069-S1071 PolarHBondContact O-N 2.81Å |
| 1072 | I | 97 | Very high | 97.1 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.8 | -49.3 | 175.9 | -67.8 | 161.1 | 0 | 0 | 0 | 109.7 | I1040 V1044 I1057 A1060 V1061 V1064 M1068 Q1069 I1070 K1074 E1075 | I1040-I1072 HydrophobicContact CD1-CD1 3.74Å; I1040-I1072 HydrophobicContact CD1-CG1 3.94Å; V1044-I1072 HydrophobicContact CG1-CG2 3.79Å; V1044-I1072 HydrophobicContact CG2-CB 4.49Å; V1044-I1072 HydrophobicContact CG2-CG2 3.98Å; I1057-I1072 HydrophobicContact CG2-CG2 4.19Å; A1060-I1072 HydrophobicContact CB-CD1 4.41Å; V1061-I1072 HydrophobicContact CG2-CG2 4.05Å; V1064-I1072 HydrophobicContact CG2-CD1 3.99Å; M1068-I1072 HydrophobicContact CG-CD1 4.21Å; M1068-I1072 WeakPolarHBondContact O-CD1 3.42Å; M1068-I1072 VanDerWaalsContact O-CG1 3.28Å; M1068-I1072 WeakPolarHBondContact O-CG1 3.48Å; M1068-I1072 PolarHBondContact O-N 2.84Å; Q1069-I1072 PolarHBondContact O-N 3.3Å; Q1069-I1072 VanDerWaalsContact O-N 3.11Å; I1070-I1072 VanDerWaalsContact C-N 3.34Å; I1070-I1072 PolarHBondContact O-N 3.05Å; I1072-K1074 VanDerWaalsContact C-N 3.33Å; I1072-K1074 PolarHBondContact O-N 2.67Å; I1072-E1075 PolarHBondContact O-N 3.03Å; I1072-E1075 VanDerWaalsContact O-N 3.14Å |
| 1073 | V | 97.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.4 | -36.5 | -176 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | Q1069 E1075 L1076 C1096 V1100 L1105 F1107 I1108 | Q1069-V1073 WeakPolarHBondContact O-CG2 3.41Å; Q1069-V1073 PolarHBondContact O-N 3.02Å; V1073-E1075 PolarHBondContact O-N 2.76Å; V1073-L1076 WeakPolarHBondContact O-CB 3.44Å; V1073-L1076 PolarHBondContact O-N 3.42Å; V1073-C1096 HydrophobicContact CG1-CB 4.29Å; V1073-C1096 HydrophobicContact CG2-CB 3.89Å; V1073-C1096 VanDerWaalsContact CG2-SG 3.58Å; V1073-V1100 HydrophobicContact CG2-CG2 3.93Å; V1073-L1105 HydrophobicContact CG1-CD2 4.22Å; V1073-F1107 HydrophobicContact CG1-CE1 3.86Å; V1073-F1107 HydrophobicContact CG1-CZ 3.69Å; V1073-F1107 WeakPolarHBondContact O-CZ 3.38Å; V1073-I1108 HydrophobicContact CG1-CD1 4.35Å |
| 1074 | K | 97.4 | Very high | 97.2 | Very high | 127 Ų | 127 | 45.7 Ų | 45.7 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -63.4 | -19.1 | 175.4 | -77.6 | 175.9 | 177.4 | 174.6 | 0 | 114.9 | I1070 I1072 L1076 D1077 | I1070-K1074 HydrophobicContact CG2-CD 3.88Å; I1070-K1074 HydrophobicContact CG2-CG 4.41Å; I1070-K1074 WeakPolarHBondContact O-CB 3.47Å; I1070-K1074 VanDerWaalsContact O-CG 3.29Å; I1070-K1074 WeakPolarHBondContact O-CG 3.25Å; I1070-K1074 PolarHBondContact O-N 3.31Å; I1072-K1074 VanDerWaalsContact C-N 3.33Å; I1072-K1074 PolarHBondContact O-N 2.67Å; K1074-L1076 PolarHBondContact O-N 3.37Å; K1074-D1077 WeakPolarHBondContact O-CB 3.37Å; K1074-D1077 PolarHBondContact O-N 3.32Å |
| 1075 | E | 97.8 | Very high | 97.3 | Very high | 53 Ų | 53 | 48.8 Ų | 48.8 | 25% | 0.248 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -75.3 | -6.4 | 171.6 | -74.6 | -174.2 | -150 | 0 | 0 | 113.6 | R1041 G1042 Q1043 V1044 I1072 V1073 | R1041-E1075 WeakPolarHBondContact CA-OE1 3.5Å; R1041-E1075 WeakPolarHBondContact CG-OE1 3.28Å; G1042-E1075 VanDerWaalsContact CA-OE2 3.3Å; G1042-E1075 WeakPolarHBondContact CA-OE2 3.23Å; G1042-E1075 PolarHBondContact N-OE1 3.1Å; G1042-E1075 PolarHBondContact N-OE2 3.22Å; Q1043-E1075 PolarHBondContact N-OE2 3.06Å; V1044-E1075 HydrophobicContact CB-CB 3.77Å; V1044-E1075 HydrophobicContact CB-CG 4.49Å; V1044-E1075 WeakPolarHBondContact CB-OE2 3.5Å; V1044-E1075 HydrophobicContact CG1-CB 4.37Å; V1044-E1075 HydrophobicContact CG2-CB 4.12Å; V1044-E1075 HydrophobicContact CG2-CG 4.38Å; V1044-E1075 VanDerWaalsContact CG2-OE2 3.28Å; V1044-E1075 WeakPolarHBondContact CG2-OE2 3.44Å; V1044-E1075 PolarHBondContact N-OE2 3.28Å; I1072-E1075 PolarHBondContact O-N 3.03Å; I1072-E1075 VanDerWaalsContact O-N 3.14Å; V1073-E1075 PolarHBondContact O-N 2.76Å |
| 1076 | L | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -93.3 | -2.2 | 172.9 | -56.3 | 180 | 0 | 0 | 0 | 113.1 | V1044 V1073 K1074 C1079 V1080 V1092 | V1044-L1076 HydrophobicContact CG1-CD2 4.01Å; V1044-L1076 HydrophobicContact CG1-CG 4.32Å; V1073-L1076 WeakPolarHBondContact O-CB 3.44Å; V1073-L1076 PolarHBondContact O-N 3.42Å; K1074-L1076 PolarHBondContact O-N 3.37Å; L1076-C1079 VanDerWaalsContact C-SG 3.51Å; L1076-C1079 PolarHBondContact O-N 2.9Å; L1076-C1079 PolarHBondContact O-SG 3.41Å; L1076-V1080 VanDerWaalsContact O-CG2 3.28Å; L1076-V1080 WeakPolarHBondContact O-CG2 3.45Å; L1076-V1080 PolarHBondContact O-N 3.47Å; L1076-V1080 VanDerWaalsContact O-N 3.07Å; L1076-V1092 HydrophobicContact CD1-CG1 3.9Å |
| 1077 | D | 97.9 | Very high | 97.5 | Very high | 99 Ų | 99 | 48.5 Ų | 48.5 | 53% | 0.529 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 149.5 | 175.7 | -162.9 | 2.9 | 0 | 0 | 0 | 111.2 | K1074 C1079 F1107 | K1074-D1077 WeakPolarHBondContact O-CB 3.37Å; K1074-D1077 PolarHBondContact O-N 3.32Å; D1077-C1079 PolarHBondContact O-N 2.9Å; D1077-F1107 HydrophobicContact CB-CD2 3.69Å; D1077-F1107 HydrophobicContact CB-CE2 3.87Å; D1077-F1107 HydrophobicContact CB-CG 4.34Å; D1077-F1107 WeakPolarHBondContact OD1-CD2 3.46Å |
| 1078 | G | 97 | Very high | 97.6 | Very high | 81 Ų | 81 | 41.2 Ų | 41.2 | 84% | 0.835 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | -9.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 1079 | C | 97.4 | Very high | 97.8 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 14% | 0.142 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127 | 4.5 | -178.1 | 62.9 | 0 | 0 | 0 | 0 | 114.9 | L1045 L1076 D1077 I1081 K1082 C1083 | L1045-C1079 HydrophobicContact CD1-CB 4.29Å; L1045-C1079 HydrophobicContact CD2-CB 4.14Å; L1076-C1079 VanDerWaalsContact C-SG 3.51Å; L1076-C1079 PolarHBondContact O-N 2.9Å; L1076-C1079 PolarHBondContact O-SG 3.41Å; D1077-C1079 PolarHBondContact O-N 2.9Å; C1079-I1081 PolarHBondContact O-N 2.85Å; C1079-K1082 WeakPolarHBondContact O-CA 3.32Å; C1079-K1082 WeakPolarHBondContact O-CB 3.42Å; C1079-K1082 PolarHBondContact O-N 2.9Å; C1079-C1083 PolarHBondContact O-N 3.17Å; C1079-C1083 VanDerWaalsContact O-N 3.13Å |
| 1080 | V | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -40.7 | -56.5 | 176.7 | -178.9 | 0 | 0 | 0 | 0 | 113 | L1076 K1082 C1083 V1084 F1107 I1108 A1111 F1112 | L1076-V1080 VanDerWaalsContact O-CG2 3.28Å; L1076-V1080 WeakPolarHBondContact O-CG2 3.45Å; L1076-V1080 PolarHBondContact O-N 3.47Å; L1076-V1080 VanDerWaalsContact O-N 3.07Å; V1080-K1082 VanDerWaalsContact C-N 3.27Å; V1080-K1082 PolarHBondContact O-N 3.29Å; V1080-C1083 WeakPolarHBondContact O-CA 3.41Å; V1080-C1083 WeakPolarHBondContact O-CB 3.37Å; V1080-C1083 PolarHBondContact O-N 3.34Å; V1080-V1084 HydrophobicContact CG1-CG2 4.08Å; V1080-V1084 VanDerWaalsContact O-CG2 3.31Å; V1080-V1084 WeakPolarHBondContact O-CG2 3.44Å; V1080-V1084 PolarHBondContact O-N 3.32Å; V1080-F1107 HydrophobicContact CG2-CD2 3.78Å; V1080-F1107 HydrophobicContact CG2-CE2 3.61Å; V1080-I1108 HydrophobicContact CG1-CB 4.38Å; V1080-I1108 HydrophobicContact CG1-CG2 3.83Å; V1080-I1108 HydrophobicContact CG2-CG1 4.3Å; V1080-A1111 HydrophobicContact CB-CB 3.86Å; V1080-A1111 HydrophobicContact CG1-CB 4.16Å; V1080-A1111 HydrophobicContact CG2-CB 4.11Å; V1080-F1112 HydrophobicContact CG1-CD2 4.34Å; V1080-F1112 HydrophobicContact CG1-CE2 3.84Å |
| 1081 | I | 97.8 | Very high | 97.9 | Very high | 42 Ų | 42 | 40.5 Ų | 40.5 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -31.2 | -176.3 | -62.9 | -55.9 | 0 | 0 | 0 | 112.9 | C1079 K1085 A1111 F1112 I1119 | C1079-I1081 PolarHBondContact O-N 2.85Å; I1081-K1085 HydrophobicContact CG2-CD 4.31Å; I1081-K1085 WeakPolarHBondContact O-CB 3.36Å; I1081-K1085 PolarHBondContact O-N 3.38Å; I1081-K1085 VanDerWaalsContact O-N 3.08Å; I1081-A1111 WeakPolarHBondContact CD1-O 3.35Å; I1081-A1111 WeakPolarHBondContact CG1-O 3.47Å; I1081-F1112 HydrophobicContact CD1-CD2 3.8Å; I1081-F1112 HydrophobicContact CD1-CE2 4Å; I1081-I1119 HydrophobicContact CD1-CD1 3.46Å; I1081-I1119 VanDerWaalsContact CD1-CD1 3.46Å; I1081-I1119 HydrophobicContact CD1-CG1 4.2Å |
| 1082 | K | 98 | Very high | 98 | Very high | 82 Ų | 82 | 39 Ų | 39 | 36% | 0.357 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.4 | -39.4 | 173 | 157 | 172.5 | 167.7 | 164.4 | 0 | 111.3 | Y406 L1049 C1079 V1080 D1086 | Y406-K1082 WeakPolarHBondContact OH-CD 3.39Å; Y406-K1082 WeakPolarHBondContact OH-CE 3.41Å; Y406-K1082 PolarHBondContact OH-NZ 2.92Å; L1049-K1082 VanDerWaalsContact CD1-CE 3.42Å; C1079-K1082 WeakPolarHBondContact O-CA 3.32Å; C1079-K1082 WeakPolarHBondContact O-CB 3.42Å; C1079-K1082 PolarHBondContact O-N 2.9Å; V1080-K1082 VanDerWaalsContact C-N 3.27Å; V1080-K1082 PolarHBondContact O-N 3.29Å; K1082-D1086 WeakPolarHBondContact O-CB 3.37Å; K1082-D1086 PolarHBondContact O-N 3.47Å |
| 1083 | C | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.6 | -44.6 | 173.2 | -65.4 | 0 | 0 | 0 | 0 | 112 | L1045 C1079 V1080 K1085 D1086 G1089 N1090 V1093 | L1045-C1083 WeakPolarHBondContact CD1-SG 3.4Å; C1079-C1083 PolarHBondContact O-N 3.17Å; C1079-C1083 VanDerWaalsContact O-N 3.13Å; V1080-C1083 WeakPolarHBondContact O-CA 3.41Å; V1080-C1083 WeakPolarHBondContact O-CB 3.37Å; V1080-C1083 PolarHBondContact O-N 3.34Å; C1083-K1085 VanDerWaalsContact C-N 3.27Å; C1083-K1085 PolarHBondContact O-N 3.12Å; C1083-D1086 PolarHBondContact O-N 3.01Å; C1083-G1089 CarbonylContact O-C 3.06Å; C1083-G1089 WeakPolarHBondContact O-CA 3.41Å; C1083-N1090 PolarHBondContact O-N 3.24Å; C1083-V1093 HydrophobicContact CB-CG2 3.7Å |
| 1084 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.9 | -33.2 | 179.5 | 170.1 | 0 | 0 | 0 | 0 | 112.8 | V1080 V1093 F1112 I1119 V1128 | V1080-V1084 HydrophobicContact CG1-CG2 4.08Å; V1080-V1084 VanDerWaalsContact O-CG2 3.31Å; V1080-V1084 WeakPolarHBondContact O-CG2 3.44Å; V1080-V1084 PolarHBondContact O-N 3.32Å; V1084-V1093 HydrophobicContact CG2-CB 4.29Å; V1084-V1093 HydrophobicContact CG2-CG1 3.98Å; V1084-V1093 HydrophobicContact CG2-CG2 4.16Å; V1084-F1112 HydrophobicContact CG1-CZ 4.09Å; V1084-F1112 HydrophobicContact CG2-CE2 3.78Å; V1084-F1112 HydrophobicContact CG2-CZ 3.77Å; V1084-I1119 HydrophobicContact CG1-CG2 3.82Å; V1084-V1128 HydrophobicContact CG1-CB 4.4Å; V1084-V1128 HydrophobicContact CG1-CG2 3.98Å; V1084-V1128 HydrophobicContact CG2-CG1 4.28Å; V1084-V1128 HydrophobicContact CG2-CG2 4.22Å |
| 1085 | K | 97.8 | Very high | 98.2 | Very high | 76 Ų | 76 | 34.9 Ų | 34.9 | 33% | 0.33 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -3.1 | 176.7 | -66.2 | -173.9 | 173.5 | -179 | 0 | 114 | I1081 C1083 S1118 H1122 | I1081-K1085 HydrophobicContact CG2-CD 4.31Å; I1081-K1085 WeakPolarHBondContact O-CB 3.36Å; I1081-K1085 PolarHBondContact O-N 3.38Å; I1081-K1085 VanDerWaalsContact O-N 3.08Å; C1083-K1085 VanDerWaalsContact C-N 3.27Å; C1083-K1085 PolarHBondContact O-N 3.12Å; K1085-S1118 PolarHBondContact NZ-OG 2.73Å; K1085-H1122 PolarHBondContact O-CE1 2.98Å |
| 1086 | D | 98.4 | Very high | 98.2 | Very high | 38 Ų | 38 | 32.4 Ų | 32.4 | 20% | 0.203 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -91.1 | 149.1 | 174.8 | 177.1 | 58.1 | 0 | 0 | 0 | 113.2 | L1049 K1082 C1083 N1088 G1089 N1090 Y1124 | L1049-D1086 HydrophobicContact CD2-CB 3.54Å; L1049-D1086 WeakPolarHBondContact CD2-OD2 3.32Å; K1082-D1086 WeakPolarHBondContact O-CB 3.37Å; K1082-D1086 PolarHBondContact O-N 3.47Å; C1083-D1086 PolarHBondContact O-N 3.01Å; D1086-N1088 VanDerWaalsContact C-N 3.29Å; D1086-N1088 PolarHBondContact O-N 3.04Å; D1086-N1088 WeakPolarHBondContact OD2-CA 3.39Å; D1086-N1088 VanDerWaalsContact OD2-CB 3.32Å; D1086-N1088 WeakPolarHBondContact OD2-CB 3.32Å; D1086-N1088 PolarHBondContact OD2-N 2.93Å; D1086-G1089 PolarHBondContact OD2-N 2.96Å; D1086-N1090 WeakPolarHBondContact O-CB 3.24Å; D1086-N1090 PolarHBondContact O-N 3.35Å; D1086-N1090 PolarHBondContact O-ND2 2.99Å; D1086-Y1124 WeakPolarHBondContact O-CD2 3.48Å |
| 1087 | Q | 97.9 | Very high | 98.3 | Very high | 117 Ų | 117 | 32.5 Ų | 32.5 | 55% | 0.547 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -25.3 | -179.2 | 66.1 | -177.1 | -13.7 | 0 | 0 | 114.1 | N1090 H1091 Y1124 | Q1087-N1090 VanDerWaalsContact C-ND2 3.29Å; Q1087-N1090 PolarHBondContact O-ND2 2.98Å; Q1087-H1091 PolarHBondContact O-CD2 3.27Å; Q1087-Y1124 HydrophobicContact CB-CE2 3.91Å |
| 1088 | N | 98.2 | Very high | 98.3 | Very high | 15 Ų | 15 | 30.9 Ų | 30.9 | 8% | 0.08 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -45.8 | 178.2 | -59.9 | -50.7 | 0 | 0 | 0 | 110.8 | S1048 L1049 M1051 C1054 D1086 N1090 H1091 | S1048-N1088 CarbonylContact O-C 3.32Å; S1048-N1088 WeakPolarHBondContact O-CB 3.16Å; L1049-N1088 PolarHBondContact O-ND2 3.16Å; M1051-N1088 PolarHBondContact N-ND2 2.96Å; C1054-N1088 HydrophobicContact CB-CB 3.87Å; D1086-N1088 VanDerWaalsContact C-N 3.29Å; D1086-N1088 PolarHBondContact O-N 3.04Å; D1086-N1088 WeakPolarHBondContact OD2-CA 3.39Å; D1086-N1088 VanDerWaalsContact OD2-CB 3.32Å; D1086-N1088 WeakPolarHBondContact OD2-CB 3.32Å; D1086-N1088 PolarHBondContact OD2-N 2.93Å; N1088-N1090 VanDerWaalsContact C-N 3.29Å; N1088-N1090 PolarHBondContact O-N 2.73Å; N1088-H1091 WeakPolarHBondContact O-CB 3.35Å; N1088-H1091 PolarHBondContact O-N 2.68Å; N1088-H1091 VanDerWaalsContact O-N 3.11Å |
| 1089 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.8 | -33.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1048 C1083 D1086 H1091 V1092 V1093 | S1048-G1089 WeakPolarHBondContact O-CA 3.35Å; S1048-G1089 PolarHBondContact O-N 3.32Å; C1083-G1089 CarbonylContact O-C 3.06Å; C1083-G1089 WeakPolarHBondContact O-CA 3.41Å; D1086-G1089 PolarHBondContact OD2-N 2.96Å; G1089-H1091 PolarHBondContact O-N 3.03Å; G1089-V1092 PolarHBondContact O-N 3.12Å; G1089-V1092 VanDerWaalsContact O-N 3.09Å; G1089-V1093 PolarHBondContact O-N 3.27Å |
| 1090 | N | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.6 | -32.4 | 178.5 | 78.5 | 92.8 | 0 | 0 | 0 | 112.3 | C1083 D1086 Q1087 N1088 Q1094 Y1124 V1128 | C1083-N1090 PolarHBondContact O-N 3.24Å; D1086-N1090 WeakPolarHBondContact O-CB 3.24Å; D1086-N1090 PolarHBondContact O-N 3.35Å; D1086-N1090 PolarHBondContact O-ND2 2.99Å; Q1087-N1090 VanDerWaalsContact C-ND2 3.29Å; Q1087-N1090 PolarHBondContact O-ND2 2.98Å; N1088-N1090 VanDerWaalsContact C-N 3.29Å; N1088-N1090 PolarHBondContact O-N 2.73Å; N1090-Q1094 WeakPolarHBondContact O-CB 3.3Å; N1090-Q1094 VanDerWaalsContact O-CG 3.29Å; N1090-Q1094 WeakPolarHBondContact O-CG 3.38Å; N1090-Q1094 PolarHBondContact O-N 3.41Å; N1090-Q1094 PolarHBondContact O-NE2 3.23Å; N1090-Q1094 PolarHBondContact OD1-NE2 2.8Å; N1090-Y1124 HydrophobicContact CB-CG 4.46Å; N1090-V1128 HydrophobicContact CB-CG2 4.42Å |
| 1091 | H | 98.7 | Very high | 98.4 | Very high | 55 Ų | 55 | 30.9 Ų | 30.9 | 26% | 0.255 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -73 | -33.6 | 176.9 | -70.6 | -71.5 | 0 | 0 | 0 | 112 | Q1087 N1088 G1089 K1095 | Q1087-H1091 PolarHBondContact O-CD2 3.27Å; N1088-H1091 WeakPolarHBondContact O-CB 3.35Å; N1088-H1091 PolarHBondContact O-N 2.68Å; N1088-H1091 VanDerWaalsContact O-N 3.11Å; G1089-H1091 PolarHBondContact O-N 3.03Å; H1091-K1095 WeakPolarHBondContact O-CB 3.36Å; H1091-K1095 PolarHBondContact O-N 2.96Å |
| 1092 | V | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66 | -49.3 | 171.9 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | C1054 I1057 Q1058 L1076 G1089 Q1094 K1095 C1096 | C1054-V1092 HydrophobicContact CB-CG2 3.98Å; I1057-V1092 HydrophobicContact CB-CG2 4.23Å; I1057-V1092 HydrophobicContact CG2-CG1 3.62Å; I1057-V1092 HydrophobicContact CG2-CG2 4.21Å; Q1058-V1092 HydrophobicContact CG-CG2 4.34Å; L1076-V1092 HydrophobicContact CD1-CG1 3.9Å; G1089-V1092 PolarHBondContact O-N 3.12Å; G1089-V1092 VanDerWaalsContact O-N 3.09Å; V1092-Q1094 PolarHBondContact O-N 3.37Å; V1092-K1095 WeakPolarHBondContact O-CA 3.25Å; V1092-K1095 WeakPolarHBondContact O-CB 3.26Å; V1092-K1095 PolarHBondContact O-N 2.86Å; V1092-C1096 PolarHBondContact O-N 2.98Å; V1092-C1096 PolarHBondContact O-SG 2.9Å |
| 1093 | V | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -41.3 | -179 | -178 | 0 | 0 | 0 | 0 | 111.7 | C1083 V1084 G1089 K1095 C1096 V1097 I1108 V1128 | C1083-V1093 HydrophobicContact CB-CG2 3.7Å; V1084-V1093 HydrophobicContact CG2-CB 4.29Å; V1084-V1093 HydrophobicContact CG2-CG1 3.98Å; V1084-V1093 HydrophobicContact CG2-CG2 4.16Å; G1089-V1093 PolarHBondContact O-N 3.27Å; V1093-K1095 VanDerWaalsContact C-N 3.34Å; V1093-K1095 PolarHBondContact O-N 3.26Å; V1093-C1096 WeakPolarHBondContact O-CB 3.07Å; V1093-C1096 PolarHBondContact O-N 3.1Å; V1093-V1097 WeakPolarHBondContact O-CG2 3.21Å; V1093-V1097 PolarHBondContact O-N 2.85Å; V1093-V1097 VanDerWaalsContact O-N 3.12Å; V1093-I1108 HydrophobicContact CG1-CD1 4.42Å; V1093-I1108 HydrophobicContact CG1-CG2 4.07Å; V1093-V1128 HydrophobicContact CB-CG1 4.42Å; V1093-V1128 HydrophobicContact CG1-CG1 3.64Å |
| 1094 | Q | 98.7 | Very high | 98.3 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 7% | 0.065 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.1 | -47.3 | 170.7 | -75 | 167.8 | 99.2 | 0 | 0 | 111.3 | N1090 V1092 C1096 V1097 E1098 V1128 R1131 | N1090-Q1094 WeakPolarHBondContact O-CB 3.3Å; N1090-Q1094 VanDerWaalsContact O-CG 3.29Å; N1090-Q1094 WeakPolarHBondContact O-CG 3.38Å; N1090-Q1094 PolarHBondContact O-N 3.41Å; N1090-Q1094 PolarHBondContact O-NE2 3.23Å; N1090-Q1094 PolarHBondContact OD1-NE2 2.8Å; V1092-Q1094 PolarHBondContact O-N 3.37Å; Q1094-C1096 VanDerWaalsContact C-N 3.33Å; Q1094-C1096 PolarHBondContact O-N 2.83Å; Q1094-V1097 PolarHBondContact O-N 3.44Å; Q1094-V1097 VanDerWaalsContact O-N 3.08Å; Q1094-E1098 VanDerWaalsContact O-CG 3.3Å; Q1094-E1098 WeakPolarHBondContact O-CG 3.49Å; Q1094-E1098 PolarHBondContact O-N 3.38Å; Q1094-V1128 HydrophobicContact CG-CG2 4.1Å; Q1094-R1131 HydrophobicContact CB-CG 3.87Å; Q1094-R1131 HydrophobicContact CG-CG 3.66Å |
| 1095 | K | 98.6 | Very high | 98.3 | Very high | 32 Ų | 32 | 35.4 Ų | 35.4 | 14% | 0.139 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -35.5 | -179.4 | -170.3 | 56.6 | 61.9 | 176.5 | 0 | 113.4 | Q1058 V1061 E1062 H1091 V1092 V1093 E1098 N1099 | Q1058-K1095 HydrophobicContact CB-CB 4.49Å; Q1058-K1095 HydrophobicContact CB-CG 4.15Å; Q1058-K1095 HydrophobicContact CG-CB 3.89Å; Q1058-K1095 HydrophobicContact CG-CG 4.1Å; V1061-K1095 HydrophobicContact CB-CG 4.46Å; V1061-K1095 HydrophobicContact CG1-CG 4.37Å; E1062-K1095 HydrophobicContact CG-CD 3.68Å; E1062-K1095 HydrophobicContact CG-CG 4.24Å; E1062-K1095 WeakPolarHBondContact OE1-CD 3.25Å; E1062-K1095 WeakPolarHBondContact OE1-CE 3.32Å; E1062-K1095 IonicContact OE1-NZ 3.55Å; E1062-K1095 PolarHBondContact OE1-NZ 3.41Å; H1091-K1095 WeakPolarHBondContact O-CB 3.36Å; H1091-K1095 PolarHBondContact O-N 2.96Å; V1092-K1095 WeakPolarHBondContact O-CA 3.25Å; V1092-K1095 WeakPolarHBondContact O-CB 3.26Å; V1092-K1095 PolarHBondContact O-N 2.86Å; V1093-K1095 VanDerWaalsContact C-N 3.34Å; V1093-K1095 PolarHBondContact O-N 3.26Å; K1095-E1098 WeakPolarHBondContact CE-OE2 3.36Å; K1095-E1098 IonicContact NZ-OE2 3.33Å; K1095-E1098 PolarHBondContact NZ-OE2 2.67Å; K1095-E1098 PolarHBondContact O-N 2.75Å; K1095-N1099 WeakPolarHBondContact CD-ND2 3.39Å; K1095-N1099 WeakPolarHBondContact O-CB 3.14Å; K1095-N1099 PolarHBondContact O-N 2.93Å; K1095-N1099 PolarHBondContact O-ND2 3.49Å |
| 1096 | C | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | 171.2 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | V1073 V1092 V1093 Q1094 N1099 V1100 | V1073-C1096 HydrophobicContact CG1-CB 4.29Å; V1073-C1096 HydrophobicContact CG2-CB 3.89Å; V1073-C1096 VanDerWaalsContact CG2-SG 3.58Å; V1092-C1096 PolarHBondContact O-N 2.98Å; V1092-C1096 PolarHBondContact O-SG 2.9Å; V1093-C1096 WeakPolarHBondContact O-CB 3.07Å; V1093-C1096 PolarHBondContact O-N 3.1Å; Q1094-C1096 VanDerWaalsContact C-N 3.33Å; Q1094-C1096 PolarHBondContact O-N 2.83Å; C1096-N1099 PolarHBondContact O-N 2.85Å; C1096-V1100 WeakPolarHBondContact O-CB 3.38Å; C1096-V1100 PolarHBondContact O-N 3.14Å |
| 1097 | V | 98.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.7 | -33.7 | 179.7 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | V1093 Q1094 L1105 R1131 I1132 H1135 | V1093-V1097 WeakPolarHBondContact O-CG2 3.21Å; V1093-V1097 PolarHBondContact O-N 2.85Å; V1093-V1097 VanDerWaalsContact O-N 3.12Å; Q1094-V1097 PolarHBondContact O-N 3.44Å; Q1094-V1097 VanDerWaalsContact O-N 3.08Å; V1097-L1105 HydrophobicContact CB-CD1 4.33Å; V1097-L1105 HydrophobicContact CG1-CD1 4.43Å; V1097-L1105 HydrophobicContact CG2-CD1 4.23Å; V1097-R1131 HydrophobicContact CB-CB 4.14Å; V1097-R1131 HydrophobicContact CG1-CB 3.73Å; V1097-R1131 WeakPolarHBondContact CG1-O 3.13Å; V1097-I1132 HydrophobicContact CG1-CG1 4.34Å; V1097-I1132 HydrophobicContact CG2-CG1 4.24Å; V1097-H1135 HydrophobicContact CG1-CB 3.89Å; V1097-H1135 WeakPolarHBondContact O-CB 3.32Å |
| 1098 | E | 98.3 | Very high | 98.3 | Very high | 65 Ų | 65 | 29.5 Ų | 29.5 | 30% | 0.304 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -72.5 | -25.9 | 176.9 | -70.8 | 162 | -151.7 | 0 | 0 | 114.2 | Q1094 K1095 | Q1094-E1098 VanDerWaalsContact O-CG 3.3Å; Q1094-E1098 WeakPolarHBondContact O-CG 3.49Å; Q1094-E1098 PolarHBondContact O-N 3.38Å; K1095-E1098 WeakPolarHBondContact CE-OE2 3.36Å; K1095-E1098 IonicContact NZ-OE2 3.33Å; K1095-E1098 PolarHBondContact NZ-OE2 2.67Å; K1095-E1098 PolarHBondContact O-N 2.75Å |
| 1099 | N | 98 | Very high | 98.3 | Very high | 60 Ų | 60 | 29 Ų | 29 | 32% | 0.321 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -126.2 | -13.5 | -163.7 | -79.2 | -116.2 | 0 | 0 | 0 | 115.7 | V1061 K1095 C1096 | V1061-N1099 HydrophobicContact CG1-CB 3.91Å; K1095-N1099 WeakPolarHBondContact CD-ND2 3.39Å; K1095-N1099 WeakPolarHBondContact O-CB 3.14Å; K1095-N1099 PolarHBondContact O-N 2.93Å; K1095-N1099 PolarHBondContact O-ND2 3.49Å; C1096-N1099 PolarHBondContact O-N 2.85Å |
| 1100 | V | 98.2 | Very high | 98.2 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.036 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -112.3 | 133.4 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | V1061 Q1069 I1070 V1073 C1096 H1104 L1105 | V1061-V1100 HydrophobicContact CG1-CG2 4.1Å; Q1069-V1100 HydrophobicContact CB-CG2 3.85Å; I1070-V1100 HydrophobicContact CG1-CG1 4.46Å; V1073-V1100 HydrophobicContact CG2-CG2 3.93Å; C1096-V1100 WeakPolarHBondContact O-CB 3.38Å; C1096-V1100 PolarHBondContact O-N 3.14Å; V1100-H1104 HydrophobicContact CG1-CB 4.01Å; V1100-L1105 HydrophobicContact CB-CD2 4.1Å; V1100-L1105 HydrophobicContact CG1-CD2 4.31Å; V1100-L1105 WeakPolarHBondContact O-CD1 3.4Å |
| 1101 | P | 98.2 | Very high | 98.2 | Very high | 38 Ų | 38 | 35 Ų | 35 | 25% | 0.247 | 18% | 0.18 | C | C | . | . | trans | -50.7 | 134.3 | -179.7 | -30 | 36.1 | 0 | 0 | 0 | 113.6 | L1066 E1103 H1104 | L1066-P1101 VanDerWaalsContact CD1-CD 3.4Å; L1066-P1101 HydrophobicContact CD1-CG 3.81Å; L1066-P1101 HydrophobicContact CD2-CG 4.23Å; P1101-E1103 VanDerWaalsContact C-OE2 3.3Å; P1101-E1103 HydrophobicContact CB-CG 4.37Å; P1101-E1103 WeakPolarHBondContact CB-OE1 3.38Å; P1101-E1103 WeakPolarHBondContact CB-OE2 3.35Å; P1101-E1103 PolarHBondContact O-N 3.22Å; P1101-E1103 VanDerWaalsContact O-N 3.1Å; P1101-H1104 PolarHBondContact O-N 3.16Å | ||
| 1102 | P | 98.1 | Very high | 98.1 | Very high | 31 Ų | 31 | 32.4 Ų | 32.4 | 20% | 0.201 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -57.2 | -28.5 | -170.9 | -28.8 | 37.1 | 0 | 0 | 0 | 115.9 | H1104 L1105 H1135 T1137 Q1140 | P1102-H1104 PolarHBondContact O-N 3.44Å; P1102-H1104 VanDerWaalsContact O-N 3.08Å; P1102-L1105 PolarHBondContact O-N 2.79Å; P1102-H1135 VanDerWaalsContact CG-O 3.25Å; P1102-H1135 WeakPolarHBondContact CG-O 3.46Å; P1102-T1137 HydrophobicContact CB-CG2 3.75Å; P1102-T1137 HydrophobicContact CG-CG2 4.4Å; P1102-Q1140 PolarHBondContact O-NE2 2.81Å |
| 1103 | E | 97.5 | Very high | 97.9 | Very high | 128 Ų | 128 | 38 Ų | 38 | 60% | 0.598 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -61.1 | -13.8 | 174.3 | 65.7 | -91.6 | -145.6 | 0 | 0 | 113.9 | P1101 | P1101-E1103 VanDerWaalsContact C-OE2 3.3Å; P1101-E1103 HydrophobicContact CB-CG 4.37Å; P1101-E1103 WeakPolarHBondContact CB-OE1 3.38Å; P1101-E1103 WeakPolarHBondContact CB-OE2 3.35Å; P1101-E1103 PolarHBondContact O-N 3.22Å; P1101-E1103 VanDerWaalsContact O-N 3.1Å |
| 1104 | H | 98 | Very high | 97.7 | Very high | 60 Ų | 60 | 43.4 Ų | 43.4 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -104.9 | -2.5 | 175 | -58.5 | -31.5 | 0 | 0 | 0 | 113.5 | I1070 V1100 P1101 P1102 | I1070-H1104 WeakPolarHBondContact CD1-CD2 3.1Å; I1070-H1104 VanDerWaalsContact CD1-NE2 3.32Å; I1070-H1104 WeakPolarHBondContact CD1-NE2 3.38Å; I1070-H1104 HydrophobicContact CG1-CB 4.22Å; I1070-H1104 VanDerWaalsContact CG1-CD2 3.42Å; I1070-H1104 WeakPolarHBondContact CG1-CD2 3.33Å; V1100-H1104 HydrophobicContact CG1-CB 4.01Å; P1101-H1104 PolarHBondContact O-N 3.16Å; P1102-H1104 PolarHBondContact O-N 3.44Å; P1102-H1104 VanDerWaalsContact O-N 3.08Å |
| 1105 | L | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -99.9 | -0.8 | -178.5 | -58.4 | -178.9 | 0 | 0 | 0 | 113.7 | V1073 V1097 V1100 P1102 F1107 I1108 V1109 | V1073-L1105 HydrophobicContact CG1-CD2 4.22Å; V1097-L1105 HydrophobicContact CB-CD1 4.33Å; V1097-L1105 HydrophobicContact CG1-CD1 4.43Å; V1097-L1105 HydrophobicContact CG2-CD1 4.23Å; V1100-L1105 HydrophobicContact CB-CD2 4.1Å; V1100-L1105 HydrophobicContact CG1-CD2 4.31Å; V1100-L1105 WeakPolarHBondContact O-CD1 3.4Å; P1102-L1105 PolarHBondContact O-N 2.79Å; L1105-F1107 VanDerWaalsContact C-N 3.28Å; L1105-F1107 PolarHBondContact O-N 3.49Å; L1105-F1107 VanDerWaalsContact O-N 3.13Å; L1105-I1108 HydrophobicContact CD2-CD1 3.98Å; L1105-I1108 WeakPolarHBondContact O-CA 3.39Å; L1105-I1108 VanDerWaalsContact O-CB 3.28Å; L1105-I1108 WeakPolarHBondContact O-CB 3.28Å; L1105-I1108 PolarHBondContact O-N 3.39Å; L1105-V1109 PolarHBondContact O-N 2.65Å | ||
| 1106 | Q | 98.1 | Very high | 97.6 | Very high | 77 Ų | 77 | 45.6 Ų | 45.6 | 36% | 0.36 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -51.7 | -42.8 | -171.7 | -172.2 | 58.6 | 43.5 | 0 | 0 | 113.6 | I1108 V1109 D1110 Q1140 | Q1106-I1108 PolarHBondContact O-N 2.78Å; Q1106-V1109 CarbonylContact O-C 3.31Å; Q1106-V1109 WeakPolarHBondContact O-CA 3.45Å; Q1106-V1109 WeakPolarHBondContact O-CB 3.22Å; Q1106-V1109 PolarHBondContact O-N 2.79Å; Q1106-D1110 PolarHBondContact NE2-OD1 2.96Å; Q1106-D1110 VanDerWaalsContact O-CG 3.23Å; Q1106-D1110 PolarHBondContact O-N 2.63Å; Q1106-Q1140 VanDerWaalsContact OE1-CG 3.28Å |
| 1107 | F | 98.1 | Very high | 97.6 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 13% | 0.127 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.5 | -24.8 | 178.6 | 77 | -83 | 0 | 0 | 0 | 113.7 | V1073 D1077 V1080 L1105 A1111 | V1073-F1107 HydrophobicContact CG1-CE1 3.86Å; V1073-F1107 HydrophobicContact CG1-CZ 3.69Å; V1073-F1107 WeakPolarHBondContact O-CZ 3.38Å; D1077-F1107 HydrophobicContact CB-CD2 3.69Å; D1077-F1107 HydrophobicContact CB-CE2 3.87Å; D1077-F1107 HydrophobicContact CB-CG 4.34Å; D1077-F1107 WeakPolarHBondContact OD1-CD2 3.46Å; V1080-F1107 HydrophobicContact CG2-CD2 3.78Å; V1080-F1107 HydrophobicContact CG2-CE2 3.61Å; L1105-F1107 VanDerWaalsContact C-N 3.28Å; L1105-F1107 PolarHBondContact O-N 3.49Å; L1105-F1107 VanDerWaalsContact O-N 3.13Å; F1107-A1111 WeakPolarHBondContact O-CB 3.43Å; F1107-A1111 PolarHBondContact O-N 3.18Å |
| 1108 | I | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.1 | -41.7 | 172.9 | -55.5 | -174 | 0 | 0 | 0 | 109.7 | V1073 V1080 V1093 L1105 Q1106 F1112 I1132 | V1073-I1108 HydrophobicContact CG1-CD1 4.35Å; V1080-I1108 HydrophobicContact CG1-CB 4.38Å; V1080-I1108 HydrophobicContact CG1-CG2 3.83Å; V1080-I1108 HydrophobicContact CG2-CG1 4.3Å; V1093-I1108 HydrophobicContact CG1-CD1 4.42Å; V1093-I1108 HydrophobicContact CG1-CG2 4.07Å; L1105-I1108 HydrophobicContact CD2-CD1 3.98Å; L1105-I1108 WeakPolarHBondContact O-CA 3.39Å; L1105-I1108 VanDerWaalsContact O-CB 3.28Å; L1105-I1108 WeakPolarHBondContact O-CB 3.28Å; L1105-I1108 PolarHBondContact O-N 3.39Å; Q1106-I1108 PolarHBondContact O-N 2.78Å; I1108-F1112 HydrophobicContact CG2-CE2 4.13Å; I1108-F1112 WeakPolarHBondContact O-CD2 3.38Å; I1108-F1112 PolarHBondContact O-N 2.78Å; I1108-I1132 HydrophobicContact CG2-CD1 4.4Å |
| 1109 | V | 97.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.3 | -44.7 | 176.7 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | L1105 Q1106 A1111 F1112 K1113 Q1140 I1144 | L1105-V1109 PolarHBondContact O-N 2.65Å; Q1106-V1109 CarbonylContact O-C 3.31Å; Q1106-V1109 WeakPolarHBondContact O-CA 3.45Å; Q1106-V1109 WeakPolarHBondContact O-CB 3.22Å; Q1106-V1109 PolarHBondContact O-N 2.79Å; V1109-A1111 VanDerWaalsContact C-N 3.31Å; V1109-A1111 PolarHBondContact O-N 3.19Å; V1109-F1112 WeakPolarHBondContact O-CB 3.39Å; V1109-F1112 PolarHBondContact O-N 3.48Å; V1109-K1113 PolarHBondContact O-N 3.47Å; V1109-Q1140 HydrophobicContact CG1-CB 4.32Å; V1109-Q1140 WeakPolarHBondContact CG1-O 3.44Å; V1109-Q1140 HydrophobicContact CG2-CB 4.17Å; V1109-Q1140 HydrophobicContact CG2-CG 4.33Å; V1109-I1144 HydrophobicContact CG1-CD1 4.19Å; V1109-I1144 HydrophobicContact CG1-CG1 4.19Å |
| 1110 | D | 97.7 | Very high | 97.6 | Very high | 94 Ų | 94 | 46.2 Ų | 46.2 | 50% | 0.503 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.1 | -39.9 | 177.7 | -61.8 | -22.7 | 0 | 0 | 0 | 111.5 | Q1106 F1112 K1113 | Q1106-D1110 PolarHBondContact NE2-OD1 2.96Å; Q1106-D1110 VanDerWaalsContact O-CG 3.23Å; Q1106-D1110 PolarHBondContact O-N 2.63Å; D1110-F1112 PolarHBondContact O-N 3.47Å; D1110-K1113 WeakPolarHBondContact O-CB 3.24Å; D1110-K1113 PolarHBondContact O-N 2.85Å |
| 1111 | A | 97.8 | Very high | 97.6 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 26% | 0.264 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1080 I1081 F1107 V1109 | V1080-A1111 HydrophobicContact CB-CB 3.86Å; V1080-A1111 HydrophobicContact CG1-CB 4.16Å; V1080-A1111 HydrophobicContact CG2-CB 4.11Å; I1081-A1111 WeakPolarHBondContact CD1-O 3.35Å; I1081-A1111 WeakPolarHBondContact CG1-O 3.47Å; F1107-A1111 WeakPolarHBondContact O-CB 3.43Å; F1107-A1111 PolarHBondContact O-N 3.18Å; V1109-A1111 VanDerWaalsContact C-N 3.31Å; V1109-A1111 PolarHBondContact O-N 3.19Å |
| 1112 | F | 97.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -19.3 | 177.5 | -84.8 | -137.1 | 0 | 0 | 0 | 113.1 | V1080 I1081 V1084 I1108 V1109 D1110 H1115 V1116 I1119 V1128 I1129 I1132 I1144 | V1080-F1112 HydrophobicContact CG1-CD2 4.34Å; V1080-F1112 HydrophobicContact CG1-CE2 3.84Å; I1081-F1112 HydrophobicContact CD1-CD2 3.8Å; I1081-F1112 HydrophobicContact CD1-CE2 4Å; V1084-F1112 HydrophobicContact CG1-CZ 4.09Å; V1084-F1112 HydrophobicContact CG2-CE2 3.78Å; V1084-F1112 HydrophobicContact CG2-CZ 3.77Å; I1108-F1112 HydrophobicContact CG2-CE2 4.13Å; I1108-F1112 WeakPolarHBondContact O-CD2 3.38Å; I1108-F1112 PolarHBondContact O-N 2.78Å; V1109-F1112 WeakPolarHBondContact O-CB 3.39Å; V1109-F1112 PolarHBondContact O-N 3.48Å; D1110-F1112 PolarHBondContact O-N 3.47Å; F1112-H1115 CarbonylContact O-C 3.53Å; F1112-H1115 WeakPolarHBondContact O-CA 3.3Å; F1112-H1115 WeakPolarHBondContact O-CB 3.49Å; F1112-H1115 PolarHBondContact O-N 2.78Å; F1112-V1116 HydrophobicContact CB-CG2 4.46Å; F1112-V1116 WeakPolarHBondContact O-CG2 3.25Å; F1112-V1116 PolarHBondContact O-N 2.84Å; F1112-V1116 VanDerWaalsContact O-N 3.14Å; F1112-I1119 HydrophobicContact CB-CD1 4.04Å; F1112-I1119 HydrophobicContact CD1-CD1 3.61Å; F1112-I1119 HydrophobicContact CD1-CG2 4.23Å; F1112-I1119 HydrophobicContact CD2-CD1 3.94Å; F1112-I1119 HydrophobicContact CE1-CD1 4Å; F1112-I1119 HydrophobicContact CE1-CG2 3.68Å; F1112-I1119 HydrophobicContact CE2-CD1 4.33Å; F1112-I1119 HydrophobicContact CG-CD1 3.57Å; F1112-I1119 HydrophobicContact CZ-CD1 4.33Å; F1112-I1119 HydrophobicContact CZ-CG2 4.13Å; F1112-V1128 HydrophobicContact CE1-CB 4.42Å; F1112-V1128 HydrophobicContact CE1-CG1 4.28Å; F1112-V1128 HydrophobicContact CZ-CB 4.06Å; F1112-V1128 HydrophobicContact CZ-CG1 3.66Å; F1112-I1129 HydrophobicContact CD1-CD1 3.5Å; F1112-I1129 VanDerWaalsContact CD1-CD1 3.5Å; F1112-I1129 HydrophobicContact CD1-CG1 4.49Å; F1112-I1129 HydrophobicContact CE1-CD1 3.58Å; F1112-I1129 HydrophobicContact CE1-CG1 4.11Å; F1112-I1132 HydrophobicContact CD1-CD1 3.87Å; F1112-I1132 HydrophobicContact CE1-CD1 3.53Å; F1112-I1132 HydrophobicContact CE2-CD1 4.35Å; F1112-I1132 HydrophobicContact CG-CD1 4.43Å; F1112-I1132 HydrophobicContact CZ-CD1 3.81Å; F1112-I1144 HydrophobicContact CB-CD1 3.85Å |
| 1113 | K | 93.1 | Very high | 97.6 | Very high | 120 Ų | 120 | 47.6 Ų | 47.6 | 52% | 0.522 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 138.4 | -179.7 | -168.3 | -156.2 | 167.6 | -115.8 | 0 | 111.1 | V1109 D1110 H1115 | V1109-K1113 PolarHBondContact O-N 3.47Å; D1110-K1113 WeakPolarHBondContact O-CB 3.24Å; D1110-K1113 PolarHBondContact O-N 2.85Å; K1113-H1115 PolarHBondContact O-N 2.95Å; K1113-H1115 VanDerWaalsContact O-N 3.17Å; K1113-H1115 PolarHBondContact O-ND1 3.1Å |
| 1114 | D | 94.7 | Very high | 97.6 | Very high | 113 Ų | 113 | 44.7 Ų | 44.7 | 60% | 0.604 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64 | 11.8 | -177.1 | -42.4 | -53.4 | 0 | 0 | 0 | 113 | E1147 | D1114-E1147 WeakPolarHBondContact CA-OE2 3.32Å; D1114-E1147 PolarHBondContact N-OE2 3.06Å |
| 1115 | H | 96.8 | Very high | 97.6 | Very high | 92 Ų | 92 | 41.8 Ų | 41.8 | 43% | 0.426 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.5 | -3.7 | -178.2 | -62.9 | 83.3 | 0 | 0 | 0 | 113.9 | F1112 K1113 Y1117 S1118 I1119 E1147 | F1112-H1115 CarbonylContact O-C 3.53Å; F1112-H1115 WeakPolarHBondContact O-CA 3.3Å; F1112-H1115 WeakPolarHBondContact O-CB 3.49Å; F1112-H1115 PolarHBondContact O-N 2.78Å; K1113-H1115 PolarHBondContact O-N 2.95Å; K1113-H1115 VanDerWaalsContact O-N 3.17Å; K1113-H1115 PolarHBondContact O-ND1 3.1Å; H1115-Y1117 VanDerWaalsContact C-N 3.27Å; H1115-Y1117 PolarHBondContact O-N 2.96Å; H1115-S1118 WeakPolarHBondContact O-CB 3.27Å; H1115-S1118 PolarHBondContact O-N 3.2Å; H1115-I1119 HydrophobicContact CB-CD1 3.82Å; H1115-I1119 HydrophobicContact CB-CG1 4.34Å; H1115-I1119 VanDerWaalsContact O-CG1 3.29Å; H1115-I1119 WeakPolarHBondContact O-CG1 3.11Å; H1115-I1119 PolarHBondContact O-N 3.01Å; H1115-E1147 PolarHBondContact N-OE1 3.13Å |
| 1116 | V | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.6 | -39.4 | -172.7 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | F1112 I1119 S1120 I1129 I1144 E1147 L1148 | F1112-V1116 HydrophobicContact CB-CG2 4.46Å; F1112-V1116 WeakPolarHBondContact O-CG2 3.25Å; F1112-V1116 PolarHBondContact O-N 2.84Å; F1112-V1116 VanDerWaalsContact O-N 3.14Å; V1116-I1119 PolarHBondContact O-N 3.4Å; V1116-S1120 WeakPolarHBondContact O-CB 3.37Å; V1116-S1120 PolarHBondContact O-N 2.87Å; V1116-S1120 PolarHBondContact O-OG 2.83Å; V1116-I1129 HydrophobicContact CG1-CD1 4Å; V1116-I1144 HydrophobicContact CG1-CG2 3.88Å; V1116-I1144 HydrophobicContact CG2-CD1 3.71Å; V1116-I1144 HydrophobicContact CG2-CG2 4.24Å; V1116-E1147 WeakPolarHBondContact CA-OE1 3.48Å; V1116-E1147 HydrophobicContact CB-CB 3.93Å; V1116-E1147 VanDerWaalsContact CB-CD 3.45Å; V1116-E1147 HydrophobicContact CB-CG 3.98Å; V1116-E1147 VanDerWaalsContact CB-OE1 3.28Å; V1116-E1147 WeakPolarHBondContact CB-OE1 3.42Å; V1116-E1147 HydrophobicContact CG1-CB 4.41Å; V1116-E1147 HydrophobicContact CG2-CB 3.99Å; V1116-E1147 HydrophobicContact CG2-CG 4.29Å; V1116-E1147 WeakPolarHBondContact CG2-OE2 3.41Å; V1116-E1147 PolarHBondContact N-OE1 2.84Å; V1116-L1148 HydrophobicContact CG1-CD2 3.73Å; V1116-L1148 HydrophobicContact CG1-CG 3.77Å |
| 1117 | Y | 98.3 | Very high | 97.6 | Very high | 90 Ų | 90 | 40.7 Ų | 40.7 | 35% | 0.353 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.4 | -46.3 | 174.3 | 177.2 | -112.5 | 0 | 0 | 0 | 112.8 | H1115 I1119 S1120 T1121 E1147 H1151 A1154 L1155 | H1115-Y1117 VanDerWaalsContact C-N 3.27Å; H1115-Y1117 PolarHBondContact O-N 2.96Å; Y1117-I1119 PolarHBondContact O-N 3.36Å; Y1117-S1120 PolarHBondContact O-N 3.08Å; Y1117-T1121 HydrophobicContact CD2-CG2 4.13Å; Y1117-T1121 HydrophobicContact CE2-CG2 3.67Å; Y1117-T1121 WeakPolarHBondContact O-CG2 3.04Å; Y1117-T1121 PolarHBondContact O-N 2.8Å; Y1117-T1121 VanDerWaalsContact O-N 3.08Å; Y1117-T1121 PolarHBondContact O-OG1 3.5Å; Y1117-E1147 PolarHBondContact N-OE1 3.25Å; Y1117-H1151 HydrophobicContact CD2-CB 3.56Å; Y1117-H1151 AromaticContact CD2-CG 3.8Å; Y1117-H1151 HydrophobicContact CE2-CB 4.19Å; Y1117-H1151 HydrophobicContact CG-CB 4.17Å; Y1117-H1151 AromaticContact CG-CG 3.9Å; Y1117-A1154 HydrophobicContact CE2-CB 3.69Å; Y1117-L1155 HydrophobicContact CD2-CD2 3.77Å; Y1117-L1155 HydrophobicContact CD2-CG 3.98Å; Y1117-L1155 HydrophobicContact CE2-CD2 4.01Å; Y1117-L1155 HydrophobicContact CE2-CG 4.18Å |
| 1118 | S | 98.1 | Very high | 97.6 | Very high | 51 Ų | 51 | 39.3 Ų | 39.3 | 36% | 0.357 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.3 | -26.6 | 178.4 | -176.4 | 0 | 0 | 0 | 0 | 112.9 | K1085 H1115 | K1085-S1118 PolarHBondContact NZ-OG 2.73Å; H1115-S1118 WeakPolarHBondContact O-CB 3.27Å; H1115-S1118 PolarHBondContact O-N 3.2Å |
| 1119 | I | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -85.2 | -40.5 | 178.4 | -59.6 | 161.9 | 0 | 0 | 0 | 110.3 | I1081 V1084 F1112 H1115 V1116 Y1117 T1121 H1122 G1125 C1126 I1129 | I1081-I1119 HydrophobicContact CD1-CD1 3.46Å; I1081-I1119 VanDerWaalsContact CD1-CD1 3.46Å; I1081-I1119 HydrophobicContact CD1-CG1 4.2Å; V1084-I1119 HydrophobicContact CG1-CG2 3.82Å; F1112-I1119 HydrophobicContact CB-CD1 4.04Å; F1112-I1119 HydrophobicContact CD1-CD1 3.61Å; F1112-I1119 HydrophobicContact CD1-CG2 4.23Å; F1112-I1119 HydrophobicContact CD2-CD1 3.94Å; F1112-I1119 HydrophobicContact CE1-CD1 4Å; F1112-I1119 HydrophobicContact CE1-CG2 3.68Å; F1112-I1119 HydrophobicContact CE2-CD1 4.33Å; F1112-I1119 HydrophobicContact CG-CD1 3.57Å; F1112-I1119 HydrophobicContact CZ-CD1 4.33Å; F1112-I1119 HydrophobicContact CZ-CG2 4.13Å; H1115-I1119 HydrophobicContact CB-CD1 3.82Å; H1115-I1119 HydrophobicContact CB-CG1 4.34Å; H1115-I1119 VanDerWaalsContact O-CG1 3.29Å; H1115-I1119 WeakPolarHBondContact O-CG1 3.11Å; H1115-I1119 PolarHBondContact O-N 3.01Å; V1116-I1119 PolarHBondContact O-N 3.4Å; Y1117-I1119 PolarHBondContact O-N 3.36Å; I1119-T1121 VanDerWaalsContact C-N 3.29Å; I1119-T1121 PolarHBondContact O-N 2.99Å; I1119-H1122 VanDerWaalsContact O-CB 3.27Å; I1119-H1122 WeakPolarHBondContact O-CB 3.36Å; I1119-H1122 PolarHBondContact O-N 3.34Å; I1119-G1125 CarbonylContact O-C 3.08Å; I1119-G1125 VanDerWaalsContact O-CA 3.24Å; I1119-G1125 WeakPolarHBondContact O-CA 3.36Å; I1119-C1126 PolarHBondContact O-N 3.2Å; I1119-C1126 VanDerWaalsContact O-N 3.07Å; I1119-I1129 HydrophobicContact CB-CD1 4.47Å; I1119-I1129 HydrophobicContact CB-CG1 4.5Å; I1119-I1129 HydrophobicContact CG2-CD1 4.16Å; I1119-I1129 HydrophobicContact CG2-CG1 3.89Å |
| 1120 | S | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.8 | -28.6 | 179 | -59.5 | 0 | 0 | 0 | 0 | 113 | V1116 Y1117 H1122 C1126 L1148 Y1160 G1161 | V1116-S1120 WeakPolarHBondContact O-CB 3.37Å; V1116-S1120 PolarHBondContact O-N 2.87Å; V1116-S1120 PolarHBondContact O-OG 2.83Å; Y1117-S1120 PolarHBondContact O-N 3.08Å; S1120-H1122 VanDerWaalsContact C-N 3.3Å; S1120-C1126 WeakPolarHBondContact O-CB 3.38Å; S1120-L1148 WeakPolarHBondContact OG-CD2 3.42Å; S1120-Y1160 CarbonylContact O-C 3.25Å; S1120-G1161 WeakPolarHBondContact O-CA 3.49Å; S1120-G1161 PolarHBondContact O-N 2.72Å |
| 1121 | T | 98.5 | Very high | 97.7 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 8.1 | 171.4 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | Y1117 I1119 L1155 D1158 Y1160 | Y1117-T1121 HydrophobicContact CD2-CG2 4.13Å; Y1117-T1121 HydrophobicContact CE2-CG2 3.67Å; Y1117-T1121 WeakPolarHBondContact O-CG2 3.04Å; Y1117-T1121 PolarHBondContact O-N 2.8Å; Y1117-T1121 VanDerWaalsContact O-N 3.08Å; Y1117-T1121 PolarHBondContact O-OG1 3.5Å; I1119-T1121 VanDerWaalsContact C-N 3.29Å; I1119-T1121 PolarHBondContact O-N 2.99Å; T1121-L1155 HydrophobicContact CG2-CD2 3.89Å; T1121-D1158 WeakPolarHBondContact CA-OD2 3.29Å; T1121-D1158 HydrophobicContact CG2-CB 4.02Å; T1121-Y1160 WeakPolarHBondContact O-CD2 3.44Å |
| 1122 | H | 98.4 | Very high | 97.7 | Very high | 46 Ų | 46 | 36.3 Ų | 36.3 | 21% | 0.213 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -99.7 | 136.4 | 177.2 | -165.6 | -105.7 | 0 | 0 | 0 | 112 | K1085 I1119 S1120 Y1124 G1125 C1126 | K1085-H1122 PolarHBondContact O-CE1 2.98Å; I1119-H1122 VanDerWaalsContact O-CB 3.27Å; I1119-H1122 WeakPolarHBondContact O-CB 3.36Å; I1119-H1122 PolarHBondContact O-N 3.34Å; S1120-H1122 VanDerWaalsContact C-N 3.3Å; H1122-Y1124 AromaticContact CE1-CD2 3.71Å; H1122-Y1124 PolarHBondContact O-N 3.08Å; H1122-Y1124 VanDerWaalsContact O-N 3.08Å; H1122-G1125 PolarHBondContact ND1-N 3.22Å; H1122-G1125 PolarHBondContact O-N 3.41Å; H1122-C1126 PolarHBondContact O-N 3.44Å; H1122-C1126 PolarHBondContact O-SG 3.08Å |
| 1123 | S | 97.5 | Very high | 97.8 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -31.8 | -176.7 | 56.9 | 0 | 0 | 0 | 0 | 115.2 | R1127 Y1160 | S1123-R1127 PolarHBondContact O-NE 2.75Å; S1123-Y1160 VanDerWaalsContact CB-CZ 3.49Å |
| 1124 | Y | 97.9 | Very high | 98 | Very high | 66 Ų | 66 | 35.9 Ų | 35.9 | 26% | 0.259 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -30.3 | 173.7 | -47.5 | -36.1 | 0 | 0 | 0 | 112.6 | D1086 Q1087 N1090 H1122 R1127 | D1086-Y1124 WeakPolarHBondContact O-CD2 3.48Å; Q1087-Y1124 HydrophobicContact CB-CE2 3.91Å; N1090-Y1124 HydrophobicContact CB-CG 4.46Å; H1122-Y1124 AromaticContact CE1-CD2 3.71Å; H1122-Y1124 PolarHBondContact O-N 3.08Å; H1122-Y1124 VanDerWaalsContact O-N 3.08Å; Y1124-R1127 WeakPolarHBondContact O-CB 3.29Å; Y1124-R1127 PolarHBondContact O-N 3.12Å |
| 1125 | G | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.6 | -36.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1119 H1122 R1127 V1128 I1129 | I1119-G1125 CarbonylContact O-C 3.08Å; I1119-G1125 VanDerWaalsContact O-CA 3.24Å; I1119-G1125 WeakPolarHBondContact O-CA 3.36Å; H1122-G1125 PolarHBondContact ND1-N 3.22Å; H1122-G1125 PolarHBondContact O-N 3.41Å; G1125-R1127 PolarHBondContact O-N 3.5Å; G1125-R1127 VanDerWaalsContact O-N 3.09Å; G1125-V1128 PolarHBondContact O-N 3.03Å; G1125-I1129 WeakPolarHBondContact O-CG1 3.36Å; G1125-I1129 PolarHBondContact O-N 3.04Å |
| 1126 | C | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.7 | -27.2 | 174.4 | 69 | 0 | 0 | 0 | 0 | 112.8 | I1119 S1120 H1122 Q1130 V1164 | I1119-C1126 PolarHBondContact O-N 3.2Å; I1119-C1126 VanDerWaalsContact O-N 3.07Å; S1120-C1126 WeakPolarHBondContact O-CB 3.38Å; H1122-C1126 PolarHBondContact O-N 3.44Å; H1122-C1126 PolarHBondContact O-SG 3.08Å; C1126-Q1130 WeakPolarHBondContact O-CG 3.21Å; C1126-Q1130 PolarHBondContact O-N 3.47Å; C1126-Q1130 PolarHBondContact O-NE2 2.89Å; C1126-V1164 HydrophobicContact CB-CG2 3.92Å |
| 1127 | R | 98.4 | Very high | 98.2 | Very high | 52 Ų | 52 | 32.8 Ų | 32.8 | 20% | 0.196 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -76.4 | -38.8 | 178.2 | -47 | -177.2 | 179.6 | -157.3 | -8.1 | 111.7 | P104 S1123 Y1124 G1125 Q1130 R1131 | P104-R1127 HydrophobicContact CG-CG 4.19Å; S1123-R1127 PolarHBondContact O-NE 2.75Å; Y1124-R1127 WeakPolarHBondContact O-CB 3.29Å; Y1124-R1127 PolarHBondContact O-N 3.12Å; G1125-R1127 PolarHBondContact O-N 3.5Å; G1125-R1127 VanDerWaalsContact O-N 3.09Å; R1127-Q1130 PolarHBondContact O-N 3.37Å; R1127-R1131 PolarHBondContact O-N 3.04Å; R1127-R1131 VanDerWaalsContact O-N 3.12Å |
| 1128 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.9 | -39.3 | 176.4 | -165.3 | 0 | 0 | 0 | 0 | 110.8 | V1084 N1090 V1093 Q1094 F1112 G1125 Q1130 R1131 I1132 | V1084-V1128 HydrophobicContact CG1-CB 4.4Å; V1084-V1128 HydrophobicContact CG1-CG2 3.98Å; V1084-V1128 HydrophobicContact CG2-CG1 4.28Å; V1084-V1128 HydrophobicContact CG2-CG2 4.22Å; N1090-V1128 HydrophobicContact CB-CG2 4.42Å; V1093-V1128 HydrophobicContact CB-CG1 4.42Å; V1093-V1128 HydrophobicContact CG1-CG1 3.64Å; Q1094-V1128 HydrophobicContact CG-CG2 4.1Å; F1112-V1128 HydrophobicContact CE1-CB 4.42Å; F1112-V1128 HydrophobicContact CE1-CG1 4.28Å; F1112-V1128 HydrophobicContact CZ-CB 4.06Å; F1112-V1128 HydrophobicContact CZ-CG1 3.66Å; G1125-V1128 PolarHBondContact O-N 3.03Å; V1128-Q1130 VanDerWaalsContact C-N 3.3Å; V1128-Q1130 PolarHBondContact O-N 3.01Å; V1128-R1131 PolarHBondContact O-N 3.09Å; V1128-I1132 HydrophobicContact CG1-CD1 4.22Å; V1128-I1132 WeakPolarHBondContact O-CG1 3.38Å; V1128-I1132 PolarHBondContact O-N 3.01Å |
| 1129 | I | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.6 | -46 | 171.4 | -65.4 | -74.5 | 0 | 0 | 0 | 110.9 | F1112 V1116 I1119 G1125 I1132 L1133 I1144 L1148 V1164 | F1112-I1129 HydrophobicContact CD1-CD1 3.5Å; F1112-I1129 VanDerWaalsContact CD1-CD1 3.5Å; F1112-I1129 HydrophobicContact CD1-CG1 4.49Å; F1112-I1129 HydrophobicContact CE1-CD1 3.58Å; F1112-I1129 HydrophobicContact CE1-CG1 4.11Å; V1116-I1129 HydrophobicContact CG1-CD1 4Å; I1119-I1129 HydrophobicContact CB-CD1 4.47Å; I1119-I1129 HydrophobicContact CB-CG1 4.5Å; I1119-I1129 HydrophobicContact CG2-CD1 4.16Å; I1119-I1129 HydrophobicContact CG2-CG1 3.89Å; G1125-I1129 WeakPolarHBondContact O-CG1 3.36Å; G1125-I1129 PolarHBondContact O-N 3.04Å; I1129-I1132 PolarHBondContact O-N 3.02Å; I1129-L1133 HydrophobicContact CG2-CD1 4Å; I1129-L1133 HydrophobicContact CG2-CG 4.43Å; I1129-L1133 WeakPolarHBondContact O-CG 3.5Å; I1129-L1133 PolarHBondContact O-N 2.79Å; I1129-I1144 HydrophobicContact CD1-CG2 4.2Å; I1129-L1148 HydrophobicContact CG2-CD1 4.47Å; I1129-V1164 HydrophobicContact CB-CG2 4.38Å; I1129-V1164 HydrophobicContact CG2-CB 4.49Å; I1129-V1164 HydrophobicContact CG2-CG1 3.57Å; I1129-V1164 HydrophobicContact CG2-CG2 4.07Å |
| 1130 | Q | 98.5 | Very high | 98.1 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 11% | 0.107 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 177.2 | -75.3 | 165.3 | 80.5 | 0 | 0 | 112.2 | C1126 R1127 V1128 I1132 L1133 E1134 H1167 | C1126-Q1130 WeakPolarHBondContact O-CG 3.21Å; C1126-Q1130 PolarHBondContact O-N 3.47Å; C1126-Q1130 PolarHBondContact O-NE2 2.89Å; R1127-Q1130 PolarHBondContact O-N 3.37Å; V1128-Q1130 VanDerWaalsContact C-N 3.3Å; V1128-Q1130 PolarHBondContact O-N 3.01Å; Q1130-I1132 VanDerWaalsContact C-N 3.29Å; Q1130-I1132 PolarHBondContact O-N 3.4Å; Q1130-L1133 PolarHBondContact O-N 2.69Å; Q1130-L1133 VanDerWaalsContact O-N 3.16Å; Q1130-E1134 WeakPolarHBondContact O-CB 3.28Å; Q1130-E1134 VanDerWaalsContact O-CG 3.23Å; Q1130-E1134 WeakPolarHBondContact O-CG 3.35Å; Q1130-E1134 PolarHBondContact O-N 2.65Å; Q1130-H1167 HydrophobicContact CG-CB 4.08Å |
| 1131 | R | 98.5 | Very high | 98.1 | Very high | 47 Ų | 47 | 36.8 Ų | 36.8 | 18% | 0.177 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.1 | -40 | 174.1 | -64 | -57.4 | 83.5 | 70.1 | 1.5 | 112.5 | Q1094 V1097 R1127 V1128 E1134 H1135 | Q1094-R1131 HydrophobicContact CB-CG 3.87Å; Q1094-R1131 HydrophobicContact CG-CG 3.66Å; V1097-R1131 HydrophobicContact CB-CB 4.14Å; V1097-R1131 HydrophobicContact CG1-CB 3.73Å; V1097-R1131 WeakPolarHBondContact CG1-O 3.13Å; R1127-R1131 PolarHBondContact O-N 3.04Å; R1127-R1131 VanDerWaalsContact O-N 3.12Å; V1128-R1131 PolarHBondContact O-N 3.09Å; R1131-E1134 IonicContact CZ-OE1 2.79Å; R1131-E1134 IonicContact CZ-OE2 2.98Å; R1131-E1134 VanDerWaalsContact CZ-OE2 3.27Å; R1131-E1134 IonicContact NE-OE1 3.94Å; R1131-E1134 IonicContact NE-OE2 2.66Å; R1131-E1134 PolarHBondContact NE-OE2 3.01Å; R1131-E1134 VanDerWaalsContact NH2-CD 3.26Å; R1131-E1134 IonicContact NH2-OE1 2.69Å; R1131-E1134 PolarHBondContact NH2-OE1 3.23Å; R1131-E1134 IonicContact NH2-OE2 3.6Å; R1131-E1134 PolarHBondContact NH2-OE2 3.45Å; R1131-E1134 PolarHBondContact O-N 2.86Å; R1131-H1135 WeakPolarHBondContact O-CB 3.26Å; R1131-H1135 PolarHBondContact O-CD2 3.07Å; R1131-H1135 PolarHBondContact O-N 3.08Å |
| 1132 | I | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.9 | -42.8 | 177.6 | -70.9 | 168.2 | 0 | 0 | 0 | 110.8 | V1097 I1108 F1112 V1128 I1129 Q1130 E1134 C1136 T1141 I1144 | V1097-I1132 HydrophobicContact CG1-CG1 4.34Å; V1097-I1132 HydrophobicContact CG2-CG1 4.24Å; I1108-I1132 HydrophobicContact CG2-CD1 4.4Å; F1112-I1132 HydrophobicContact CD1-CD1 3.87Å; F1112-I1132 HydrophobicContact CE1-CD1 3.53Å; F1112-I1132 HydrophobicContact CE2-CD1 4.35Å; F1112-I1132 HydrophobicContact CG-CD1 4.43Å; F1112-I1132 HydrophobicContact CZ-CD1 3.81Å; V1128-I1132 HydrophobicContact CG1-CD1 4.22Å; V1128-I1132 WeakPolarHBondContact O-CG1 3.38Å; V1128-I1132 PolarHBondContact O-N 3.01Å; I1129-I1132 PolarHBondContact O-N 3.02Å; Q1130-I1132 VanDerWaalsContact C-N 3.29Å; Q1130-I1132 PolarHBondContact O-N 3.4Å; I1132-E1134 VanDerWaalsContact C-N 3.28Å; I1132-E1134 PolarHBondContact O-N 2.96Å; I1132-C1136 HydrophobicContact CG2-CB 4.16Å; I1132-C1136 VanDerWaalsContact O-CB 3.23Å; I1132-C1136 WeakPolarHBondContact O-CB 3.42Å; I1132-C1136 PolarHBondContact O-N 3.4Å; I1132-T1141 VanDerWaalsContact O-CG2 3.28Å; I1132-T1141 WeakPolarHBondContact O-CG2 3.38Å; I1132-I1144 HydrophobicContact CG2-CG1 4.4Å |
| 1133 | L | 98.2 | Very high | 97.9 | Very high | 31 Ų | 31 | 39.3 Ų | 39.3 | 16% | 0.162 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.3 | -25 | 176.3 | -66.2 | 174.4 | 0 | 0 | 0 | 113.5 | I1129 Q1130 T1141 L1145 L1148 V1164 V1168 | I1129-L1133 HydrophobicContact CG2-CD1 4Å; I1129-L1133 HydrophobicContact CG2-CG 4.43Å; I1129-L1133 WeakPolarHBondContact O-CG 3.5Å; I1129-L1133 PolarHBondContact O-N 2.79Å; Q1130-L1133 PolarHBondContact O-N 2.69Å; Q1130-L1133 VanDerWaalsContact O-N 3.16Å; L1133-T1141 HydrophobicContact CD2-CG2 4.25Å; L1133-L1145 HydrophobicContact CD2-CD1 4.46Å; L1133-L1145 HydrophobicContact CD2-CD2 3.91Å; L1133-L1145 HydrophobicContact CD2-CG 3.91Å; L1133-L1148 HydrophobicContact CD1-CD1 4.2Å; L1133-V1164 HydrophobicContact CD1-CG1 4.34Å; L1133-V1168 HydrophobicContact CD1-CG2 3.89Å |
| 1134 | E | 97.9 | Very high | 98 | Very high | 80 Ų | 80 | 38.4 Ų | 38.4 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -84.8 | -36.9 | 178.3 | -71.3 | 160.8 | -159.6 | 0 | 0 | 113.6 | Q1130 R1131 I1132 H1167 | Q1130-E1134 WeakPolarHBondContact O-CB 3.28Å; Q1130-E1134 VanDerWaalsContact O-CG 3.23Å; Q1130-E1134 WeakPolarHBondContact O-CG 3.35Å; Q1130-E1134 PolarHBondContact O-N 2.65Å; R1131-E1134 IonicContact CZ-OE1 2.79Å; R1131-E1134 IonicContact CZ-OE2 2.98Å; R1131-E1134 VanDerWaalsContact CZ-OE2 3.27Å; R1131-E1134 IonicContact NE-OE1 3.94Å; R1131-E1134 IonicContact NE-OE2 2.66Å; R1131-E1134 PolarHBondContact NE-OE2 3.01Å; R1131-E1134 VanDerWaalsContact NH2-CD 3.26Å; R1131-E1134 IonicContact NH2-OE1 2.69Å; R1131-E1134 PolarHBondContact NH2-OE1 3.23Å; R1131-E1134 IonicContact NH2-OE2 3.6Å; R1131-E1134 PolarHBondContact NH2-OE2 3.45Å; R1131-E1134 PolarHBondContact O-N 2.86Å; I1132-E1134 VanDerWaalsContact C-N 3.28Å; I1132-E1134 PolarHBondContact O-N 2.96Å; E1134-H1167 VanDerWaalsContact CG-CE1 3.42Å; E1134-H1167 WeakPolarHBondContact CG-CE1 3.45Å; E1134-H1167 IonicContact OE1-CE1 3.98Å; E1134-H1167 PolarHBondContact OE1-CE1 3.45Å; E1134-H1167 IonicContact OE1-ND1 2.69Å; E1134-H1167 IonicContact OE1-NE2 2.65Å |
| 1135 | H | 97.8 | Very high | 98 | Very high | 81 Ų | 81 | 36 Ų | 36 | 38% | 0.375 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -117.4 | -23.6 | -167.1 | -66.1 | -83.5 | 0 | 0 | 0 | 115.7 | V1097 P1102 R1131 | V1097-H1135 HydrophobicContact CG1-CB 3.89Å; V1097-H1135 WeakPolarHBondContact O-CB 3.32Å; P1102-H1135 VanDerWaalsContact CG-O 3.25Å; P1102-H1135 WeakPolarHBondContact CG-O 3.46Å; R1131-H1135 WeakPolarHBondContact O-CB 3.26Å; R1131-H1135 PolarHBondContact O-CD2 3.07Å; R1131-H1135 PolarHBondContact O-N 3.08Å |
| 1136 | C | 97.9 | Very high | 98 | Very high | 15 Ų | 15 | 39 Ų | 39 | 10% | 0.101 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -82.4 | 162.2 | -178.4 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | I1132 Q1140 T1141 | I1132-C1136 HydrophobicContact CG2-CB 4.16Å; I1132-C1136 VanDerWaalsContact O-CB 3.23Å; I1132-C1136 WeakPolarHBondContact O-CB 3.42Å; I1132-C1136 PolarHBondContact O-N 3.4Å; C1136-Q1140 HydrophobicContact CB-CB 3.9Å; C1136-T1141 HydrophobicContact CB-CG2 4.08Å |
| 1137 | T | 97.9 | Very high | 97.9 | Very high | 44 Ų | 44 | 40 Ų | 40 | 27% | 0.27 | 21% | 0.213 | S | C | . | . | trans | -68.7 | 163 | -175.3 | 83.4 | 0 | 0 | 0 | 0 | 112.7 | P1102 E1139 Q1140 T1141 | P1102-T1137 HydrophobicContact CB-CG2 3.75Å; P1102-T1137 HydrophobicContact CG-CG2 4.4Å; T1137-E1139 WeakPolarHBondContact CB-OE2 3.28Å; T1137-E1139 PolarHBondContact O-N 3.14Å; T1137-E1139 PolarHBondContact OG1-N 3.02Å; T1137-E1139 PolarHBondContact OG1-OE2 3.27Å; T1137-Q1140 VanDerWaalsContact N-OE1 3.12Å; T1137-Q1140 PolarHBondContact O-N 3.44Å; T1137-Q1140 VanDerWaalsContact O-N 3.1Å; T1137-Q1140 PolarHBondContact OG1-N 2.86Å; T1137-T1141 WeakPolarHBondContact O-CG2 3.36Å; T1137-T1141 PolarHBondContact O-N 3.27Å; T1137-T1141 PolarHBondContact O-OG1 3.26Å | ||
| 1138 | P | 97.1 | Very high | 97.9 | Very high | 67 Ų | 67 | 37.8 Ų | 37.8 | 44% | 0.435 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -53.8 | -35.4 | 172.2 | -27.2 | 36.8 | 0 | 0 | 0 | 113.4 | T1141 T1142 | P1138-T1141 WeakPolarHBondContact CA-OG1 3.25Å; P1138-T1141 PolarHBondContact O-OG1 3.16Å; P1138-T1142 VanDerWaalsContact O-CB 3.24Å; P1138-T1142 WeakPolarHBondContact O-CB 3.48Å; P1138-T1142 PolarHBondContact O-N 2.95Å; P1138-T1142 PolarHBondContact O-OG1 3.36Å |
| 1139 | E | 97.3 | Very high | 97.9 | Very high | 138 Ų | 138 | 38.9 Ų | 38.9 | 65% | 0.645 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -70.2 | -34.8 | 180 | -58.1 | 65.9 | -139.3 | 0 | 0 | 111.4 | T1137 P1143 | T1137-E1139 WeakPolarHBondContact CB-OE2 3.28Å; T1137-E1139 PolarHBondContact O-N 3.14Å; T1137-E1139 PolarHBondContact OG1-N 3.02Å; T1137-E1139 PolarHBondContact OG1-OE2 3.27Å; E1139-P1143 WeakPolarHBondContact O-CD 3.22Å |
| 1140 | Q | 97.9 | Very high | 97.9 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -78.8 | -36.9 | 177.3 | -73.8 | 176.4 | -27.7 | 0 | 0 | 113.2 | P1102 Q1106 V1109 C1136 T1137 P1143 | P1102-Q1140 PolarHBondContact O-NE2 2.81Å; Q1106-Q1140 VanDerWaalsContact OE1-CG 3.28Å; V1109-Q1140 HydrophobicContact CG1-CB 4.32Å; V1109-Q1140 WeakPolarHBondContact CG1-O 3.44Å; V1109-Q1140 HydrophobicContact CG2-CB 4.17Å; V1109-Q1140 HydrophobicContact CG2-CG 4.33Å; C1136-Q1140 HydrophobicContact CB-CB 3.9Å; T1137-Q1140 VanDerWaalsContact N-OE1 3.12Å; T1137-Q1140 PolarHBondContact O-N 3.44Å; T1137-Q1140 VanDerWaalsContact O-N 3.1Å; T1137-Q1140 PolarHBondContact OG1-N 2.86Å; Q1140-P1143 WeakPolarHBondContact O-CD 3.42Å; Q1140-P1143 WeakPolarHBondContact O-CG 3.03Å |
| 1141 | T | 97.9 | Very high | 97.8 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 8% | 0.08 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -79.3 | -29.6 | -179.8 | 50 | 0 | 0 | 0 | 0 | 112.5 | I1132 L1133 C1136 T1137 P1138 I1144 L1145 | I1132-T1141 VanDerWaalsContact O-CG2 3.28Å; I1132-T1141 WeakPolarHBondContact O-CG2 3.38Å; L1133-T1141 HydrophobicContact CD2-CG2 4.25Å; C1136-T1141 HydrophobicContact CB-CG2 4.08Å; T1137-T1141 WeakPolarHBondContact O-CG2 3.36Å; T1137-T1141 PolarHBondContact O-N 3.27Å; T1137-T1141 PolarHBondContact O-OG1 3.26Å; P1138-T1141 WeakPolarHBondContact CA-OG1 3.25Å; P1138-T1141 PolarHBondContact O-OG1 3.16Å; T1141-I1144 WeakPolarHBondContact O-CB 3.44Å; T1141-I1144 PolarHBondContact O-N 2.88Å; T1141-L1145 WeakPolarHBondContact O-CB 3.3Å; T1141-L1145 WeakPolarHBondContact O-CG 3.4Å; T1141-L1145 PolarHBondContact O-N 3.15Å |
| 1142 | T | 97.2 | Very high | 97.8 | Very high | 71 Ų | 71 | 45.5 Ų | 45.5 | 44% | 0.436 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -52.2 | -50.7 | 177.6 | -67.7 | 0 | 0 | 0 | 0 | 114.7 | P1138 I1144 L1145 S1146 | P1138-T1142 VanDerWaalsContact O-CB 3.24Å; P1138-T1142 WeakPolarHBondContact O-CB 3.48Å; P1138-T1142 PolarHBondContact O-N 2.95Å; P1138-T1142 PolarHBondContact O-OG1 3.36Å; T1142-I1144 VanDerWaalsContact C-N 3.35Å; T1142-I1144 PolarHBondContact O-N 3.13Å; T1142-L1145 PolarHBondContact O-N 3.43Å; T1142-S1146 WeakPolarHBondContact O-CB 3.34Å; T1142-S1146 PolarHBondContact O-N 3Å |
| 1143 | P | 97.3 | Very high | 97.8 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 42% | 0.422 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 176.9 | 23.6 | -33.6 | 0 | 0 | 0 | 112.7 | E1139 Q1140 S1146 E1147 | E1139-P1143 WeakPolarHBondContact O-CD 3.22Å; Q1140-P1143 WeakPolarHBondContact O-CD 3.42Å; Q1140-P1143 WeakPolarHBondContact O-CG 3.03Å; P1143-S1146 WeakPolarHBondContact O-CB 3.29Å; P1143-S1146 PolarHBondContact O-N 2.91Å; P1143-E1147 PolarHBondContact O-N 3.43Å |
| 1144 | I | 98.2 | Very high | 97.8 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 176.7 | -54.7 | -61.9 | 0 | 0 | 0 | 110.5 | V1109 F1112 V1116 I1129 I1132 T1141 T1142 S1146 E1147 L1148 | V1109-I1144 HydrophobicContact CG1-CD1 4.19Å; V1109-I1144 HydrophobicContact CG1-CG1 4.19Å; F1112-I1144 HydrophobicContact CB-CD1 3.85Å; V1116-I1144 HydrophobicContact CG1-CG2 3.88Å; V1116-I1144 HydrophobicContact CG2-CD1 3.71Å; V1116-I1144 HydrophobicContact CG2-CG2 4.24Å; I1129-I1144 HydrophobicContact CD1-CG2 4.2Å; I1132-I1144 HydrophobicContact CG2-CG1 4.4Å; T1141-I1144 WeakPolarHBondContact O-CB 3.44Å; T1141-I1144 PolarHBondContact O-N 2.88Å; T1142-I1144 VanDerWaalsContact C-N 3.35Å; T1142-I1144 PolarHBondContact O-N 3.13Å; I1144-S1146 VanDerWaalsContact C-N 3.34Å; I1144-S1146 PolarHBondContact O-N 2.86Å; I1144-E1147 PolarHBondContact O-N 3.05Å; I1144-L1148 HydrophobicContact CG2-CD1 4.27Å; I1144-L1148 VanDerWaalsContact O-CG 3.32Å; I1144-L1148 WeakPolarHBondContact O-CG 3.41Å; I1144-L1148 PolarHBondContact O-N 2.84Å |
| 1145 | L | 98.2 | Very high | 97.8 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | 173.8 | -73 | 164.8 | 0 | 0 | 0 | 111.8 | L1133 T1141 T1142 E1147 L1148 H1149 V1168 | L1133-L1145 HydrophobicContact CD2-CD1 4.46Å; L1133-L1145 HydrophobicContact CD2-CD2 3.91Å; L1133-L1145 HydrophobicContact CD2-CG 3.91Å; T1141-L1145 WeakPolarHBondContact O-CB 3.3Å; T1141-L1145 WeakPolarHBondContact O-CG 3.4Å; T1141-L1145 PolarHBondContact O-N 3.15Å; T1142-L1145 PolarHBondContact O-N 3.43Å; L1145-E1147 VanDerWaalsContact C-N 3.32Å; L1145-E1147 PolarHBondContact O-N 2.98Å; L1145-L1148 HydrophobicContact CD2-CD1 4.37Å; L1145-L1148 PolarHBondContact O-N 3.45Å; L1145-H1149 PolarHBondContact O-CD2 3.17Å; L1145-H1149 PolarHBondContact O-N 3.19Å; L1145-V1168 HydrophobicContact CD2-CG1 4.08Å; L1145-V1168 HydrophobicContact CD2-CG2 3.83Å |
| 1146 | S | 97.5 | Very high | 97.9 | Very high | 64 Ų | 64 | 41 Ų | 41 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.3 | -37.4 | 177 | -165.4 | 0 | 0 | 0 | 0 | 112.8 | T1142 P1143 I1144 Q1150 | T1142-S1146 WeakPolarHBondContact O-CB 3.34Å; T1142-S1146 PolarHBondContact O-N 3Å; P1143-S1146 WeakPolarHBondContact O-CB 3.29Å; P1143-S1146 PolarHBondContact O-N 2.91Å; I1144-S1146 VanDerWaalsContact C-N 3.34Å; I1144-S1146 PolarHBondContact O-N 2.86Å; S1146-Q1150 WeakPolarHBondContact O-CG 3.49Å; S1146-Q1150 PolarHBondContact O-NE2 3.2Å |
| 1147 | E | 97.8 | Very high | 97.9 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -77.2 | -36.1 | 174.3 | -157.1 | -176.5 | 130.6 | 0 | 0 | 112.4 | D1114 H1115 V1116 Y1117 P1143 I1144 L1145 H1149 Q1150 H1151 | D1114-E1147 WeakPolarHBondContact CA-OE2 3.32Å; D1114-E1147 PolarHBondContact N-OE2 3.06Å; H1115-E1147 PolarHBondContact N-OE1 3.13Å; V1116-E1147 WeakPolarHBondContact CA-OE1 3.48Å; V1116-E1147 HydrophobicContact CB-CB 3.93Å; V1116-E1147 VanDerWaalsContact CB-CD 3.45Å; V1116-E1147 HydrophobicContact CB-CG 3.98Å; V1116-E1147 VanDerWaalsContact CB-OE1 3.28Å; V1116-E1147 WeakPolarHBondContact CB-OE1 3.42Å; V1116-E1147 HydrophobicContact CG1-CB 4.41Å; V1116-E1147 HydrophobicContact CG2-CB 3.99Å; V1116-E1147 HydrophobicContact CG2-CG 4.29Å; V1116-E1147 WeakPolarHBondContact CG2-OE2 3.41Å; V1116-E1147 PolarHBondContact N-OE1 2.84Å; Y1117-E1147 PolarHBondContact N-OE1 3.25Å; P1143-E1147 PolarHBondContact O-N 3.43Å; I1144-E1147 PolarHBondContact O-N 3.05Å; L1145-E1147 VanDerWaalsContact C-N 3.32Å; L1145-E1147 PolarHBondContact O-N 2.98Å; E1147-H1149 PolarHBondContact O-N 3.27Å; E1147-Q1150 PolarHBondContact O-N 3.05Å; E1147-H1151 PolarHBondContact O-CD2 3.19Å |
| 1148 | L | 98.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | 172.3 | -73.1 | 170.6 | 0 | 0 | 0 | 112 | V1116 S1120 I1129 L1133 I1144 L1145 Q1150 H1151 T1152 L1155 V1164 | V1116-L1148 HydrophobicContact CG1-CD2 3.73Å; V1116-L1148 HydrophobicContact CG1-CG 3.77Å; S1120-L1148 WeakPolarHBondContact OG-CD2 3.42Å; I1129-L1148 HydrophobicContact CG2-CD1 4.47Å; L1133-L1148 HydrophobicContact CD1-CD1 4.2Å; I1144-L1148 HydrophobicContact CG2-CD1 4.27Å; I1144-L1148 VanDerWaalsContact O-CG 3.32Å; I1144-L1148 WeakPolarHBondContact O-CG 3.41Å; I1144-L1148 PolarHBondContact O-N 2.84Å; L1145-L1148 HydrophobicContact CD2-CD1 4.37Å; L1145-L1148 PolarHBondContact O-N 3.45Å; L1148-Q1150 VanDerWaalsContact C-N 3.28Å; L1148-Q1150 PolarHBondContact O-N 3.14Å; L1148-H1151 CarbonylContact O-C 3.41Å; L1148-H1151 PolarHBondContact O-N 3.46Å; L1148-T1152 PolarHBondContact O-N 3.39Å; L1148-T1152 VanDerWaalsContact O-N 3.12Å; L1148-L1155 HydrophobicContact CB-CD1 4.49Å; L1148-L1155 HydrophobicContact CD2-CD1 3.63Å; L1148-V1164 HydrophobicContact CD1-CG1 3.79Å; L1148-V1164 HydrophobicContact CD2-CG1 3.7Å; L1148-V1164 HydrophobicContact CG-CG1 4.44Å |
| 1149 | H | 98.2 | Very high | 98 | Very high | 22 Ų | 22 | 44.7 Ų | 44.7 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -36.4 | -178.8 | -76 | -54.7 | 0 | 0 | 0 | 112.7 | L1145 E1147 H1151 T1152 D1176 | L1145-H1149 PolarHBondContact O-CD2 3.17Å; L1145-H1149 PolarHBondContact O-N 3.19Å; E1147-H1149 PolarHBondContact O-N 3.27Å; H1149-H1151 PolarHBondContact O-N 3.49Å; H1149-T1152 WeakPolarHBondContact CA-OG1 3.11Å; H1149-T1152 PolarHBondContact O-N 2.82Å; H1149-T1152 PolarHBondContact O-OG1 2.93Å; H1149-D1176 IonicContact CD2-OD1 3.03Å; H1149-D1176 IonicContact CE1-OD1 3.27Å; H1149-D1176 IonicContact NE2-OD1 2.68Å; H1149-D1176 PolarHBondContact NE2-OD1 3.27Å |
| 1150 | Q | 97.4 | Very high | 98 | Very high | 139 Ų | 139 | 39.8 Ų | 39.8 | 65% | 0.65 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.7 | -21.3 | 175.9 | -71.1 | 168.3 | 74.3 | 0 | 0 | 113.5 | S1146 E1147 L1148 | S1146-Q1150 WeakPolarHBondContact O-CG 3.49Å; S1146-Q1150 PolarHBondContact O-NE2 3.2Å; E1147-Q1150 PolarHBondContact O-N 3.05Å; L1148-Q1150 VanDerWaalsContact C-N 3.28Å; L1148-Q1150 PolarHBondContact O-N 3.14Å |
| 1151 | H | 97.9 | Very high | 98.1 | Very high | 69 Ų | 69 | 39.4 Ų | 39.4 | 32% | 0.319 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 11.8 | -176.1 | -63.5 | -64.7 | 0 | 0 | 0 | 114.1 | Y1117 E1147 L1148 H1149 D1153 A1154 L1155 | Y1117-H1151 HydrophobicContact CD2-CB 3.56Å; Y1117-H1151 AromaticContact CD2-CG 3.8Å; Y1117-H1151 HydrophobicContact CE2-CB 4.19Å; Y1117-H1151 HydrophobicContact CG-CB 4.17Å; Y1117-H1151 AromaticContact CG-CG 3.9Å; E1147-H1151 PolarHBondContact O-CD2 3.19Å; L1148-H1151 CarbonylContact O-C 3.41Å; L1148-H1151 PolarHBondContact O-N 3.46Å; H1149-H1151 PolarHBondContact O-N 3.49Å; H1151-D1153 VanDerWaalsContact C-N 3.25Å; H1151-D1153 PolarHBondContact O-N 2.81Å; H1151-D1153 VanDerWaalsContact O-N 3.13Å; H1151-A1154 PolarHBondContact O-N 3.29Å; H1151-L1155 HydrophobicContact CB-CD1 3.94Å; H1151-L1155 HydrophobicContact CB-CG 4.2Å; H1151-L1155 WeakPolarHBondContact O-CG 2.97Å; H1151-L1155 PolarHBondContact O-N 3.1Å |
| 1152 | T | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -43.9 | -49.4 | -179 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | L1148 H1149 A1154 L1155 V1156 I1180 H1183 | L1148-T1152 PolarHBondContact O-N 3.39Å; L1148-T1152 VanDerWaalsContact O-N 3.12Å; H1149-T1152 WeakPolarHBondContact CA-OG1 3.11Å; H1149-T1152 PolarHBondContact O-N 2.82Å; H1149-T1152 PolarHBondContact O-OG1 2.93Å; T1152-A1154 VanDerWaalsContact C-N 3.28Å; T1152-A1154 PolarHBondContact O-N 2.91Å; T1152-L1155 PolarHBondContact O-N 3.05Å; T1152-V1156 HydrophobicContact CG2-CG2 3.91Å; T1152-V1156 WeakPolarHBondContact O-CB 3.48Å; T1152-V1156 WeakPolarHBondContact O-CG2 3.31Å; T1152-V1156 PolarHBondContact O-N 2.86Å; T1152-I1180 HydrophobicContact CG2-CG1 4.47Å; T1152-H1183 HydrophobicContact CG2-CB 3.9Å |
| 1153 | D | 97.1 | Very high | 98.2 | Very high | 60 Ų | 60 | 37.9 Ų | 37.9 | 32% | 0.321 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.8 | -32.8 | -177.7 | -93.3 | 31.9 | 0 | 0 | 0 | 115.2 | H1151 K1157 H1183 R1187 | H1151-D1153 VanDerWaalsContact C-N 3.25Å; H1151-D1153 PolarHBondContact O-N 2.81Å; H1151-D1153 VanDerWaalsContact O-N 3.13Å; D1153-K1157 PolarHBondContact O-NZ 3.03Å; D1153-H1183 IonicContact OD1-CD2 3.65Å; D1153-H1183 PolarHBondContact OD1-CD2 3.29Å; D1153-R1187 IonicContact OD1-CZ 2.68Å; D1153-R1187 IonicContact OD1-NH1 3.63Å; D1153-R1187 IonicContact OD1-NH2 2.73Å; D1153-R1187 PolarHBondContact OD1-NH2 2.84Å; D1153-R1187 IonicContact OD2-CZ 2.81Å; D1153-R1187 IonicContact OD2-NH1 2.69Å; D1153-R1187 PolarHBondContact OD2-NH1 3.31Å; D1153-R1187 IonicContact OD2-NH2 3.73Å; D1153-R1187 PolarHBondContact OD2-NH2 3.01Å |
| 1154 | A | 98.1 | Very high | 98.2 | Very high | 36 Ų | 36 | 34.8 Ų | 34.8 | 30% | 0.298 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -85.4 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y1117 H1151 T1152 V1156 K1157 D1158 | Y1117-A1154 HydrophobicContact CE2-CB 3.69Å; H1151-A1154 PolarHBondContact O-N 3.29Å; T1152-A1154 VanDerWaalsContact C-N 3.28Å; T1152-A1154 PolarHBondContact O-N 2.91Å; A1154-V1156 PolarHBondContact O-N 2.88Å; A1154-K1157 PolarHBondContact O-N 3.4Å; A1154-D1158 PolarHBondContact O-N 2.97Å |
| 1155 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -38.9 | -178.2 | -67.8 | 170.2 | 0 | 0 | 0 | 112.8 | Y1117 T1121 L1148 H1151 T1152 K1157 D1158 G1161 N1162 I1165 | Y1117-L1155 HydrophobicContact CD2-CD2 3.77Å; Y1117-L1155 HydrophobicContact CD2-CG 3.98Å; Y1117-L1155 HydrophobicContact CE2-CD2 4.01Å; Y1117-L1155 HydrophobicContact CE2-CG 4.18Å; T1121-L1155 HydrophobicContact CG2-CD2 3.89Å; L1148-L1155 HydrophobicContact CB-CD1 4.49Å; L1148-L1155 HydrophobicContact CD2-CD1 3.63Å; H1151-L1155 HydrophobicContact CB-CD1 3.94Å; H1151-L1155 HydrophobicContact CB-CG 4.2Å; H1151-L1155 WeakPolarHBondContact O-CG 2.97Å; H1151-L1155 PolarHBondContact O-N 3.1Å; T1152-L1155 PolarHBondContact O-N 3.05Å; L1155-K1157 PolarHBondContact O-N 3.31Å; L1155-D1158 PolarHBondContact O-N 3.1Å; L1155-G1161 CarbonylContact O-C 3.43Å; L1155-N1162 WeakPolarHBondContact O-CA 3.37Å; L1155-N1162 PolarHBondContact O-N 2.68Å; L1155-I1165 HydrophobicContact CB-CD1 3.81Å; L1155-I1165 HydrophobicContact CB-CG1 3.66Å; L1155-I1165 HydrophobicContact CD1-CD1 4.08Å |
| 1156 | V | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -31.4 | 173.4 | 166.8 | 0 | 0 | 0 | 0 | 112.1 | T1152 A1154 I1165 L1191 A1197 V1200 | T1152-V1156 HydrophobicContact CG2-CG2 3.91Å; T1152-V1156 WeakPolarHBondContact O-CB 3.48Å; T1152-V1156 WeakPolarHBondContact O-CG2 3.31Å; T1152-V1156 PolarHBondContact O-N 2.86Å; A1154-V1156 PolarHBondContact O-N 2.88Å; V1156-I1165 HydrophobicContact CG2-CG1 4.33Å; V1156-I1165 HydrophobicContact CG2-CG2 4Å; V1156-L1191 HydrophobicContact CG1-CD1 4.37Å; V1156-L1191 HydrophobicContact CG1-CD2 4.03Å; V1156-A1197 HydrophobicContact CG1-CB 3.68Å; V1156-A1197 WeakPolarHBondContact O-CA 3.26Å; V1156-A1197 WeakPolarHBondContact O-CB 3.12Å; V1156-A1197 PolarHBondContact O-N 3.35Å; V1156-V1200 HydrophobicContact CG1-CB 4.32Å; V1156-V1200 HydrophobicContact CG1-CG1 4.48Å; V1156-V1200 HydrophobicContact CG1-CG2 4.34Å; V1156-V1200 HydrophobicContact CG2-CG1 4.27Å |
| 1157 | K | 98.4 | Very high | 98.3 | Very high | 79 Ų | 79 | 32.4 Ų | 32.4 | 34% | 0.343 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -24.5 | -176.6 | -54.6 | -174.3 | -167.3 | 89.5 | 0 | 113.4 | D1153 A1154 L1155 H1194 F1196 | D1153-K1157 PolarHBondContact O-NZ 3.03Å; A1154-K1157 PolarHBondContact O-N 3.4Å; L1155-K1157 PolarHBondContact O-N 3.31Å; K1157-H1194 PolarHBondContact O-CE1 2.82Å; K1157-H1194 VanDerWaalsContact O-CE1 3.28Å; K1157-F1196 WeakPolarHBondContact O-CD2 3.22Å |
| 1158 | D | 98.6 | Very high | 98.4 | Very high | 34 Ų | 34 | 31.5 Ų | 31.5 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -67.2 | 148 | -178.7 | 177.7 | 55.7 | 0 | 0 | 0 | 113.1 | T1121 A1154 L1155 Y1160 G1161 N1162 | T1121-D1158 WeakPolarHBondContact CA-OD2 3.29Å; T1121-D1158 HydrophobicContact CG2-CB 4.02Å; A1154-D1158 PolarHBondContact O-N 2.97Å; L1155-D1158 PolarHBondContact O-N 3.1Å; D1158-Y1160 PolarHBondContact O-N 3.02Å; D1158-Y1160 WeakPolarHBondContact OD2-CA 3.32Å; D1158-Y1160 PolarHBondContact OD2-N 2.98Å; D1158-G1161 PolarHBondContact OD2-N 2.83Å; D1158-N1162 WeakPolarHBondContact O-CB 3.48Å; D1158-N1162 PolarHBondContact O-N 3.27Å; D1158-N1162 PolarHBondContact O-ND2 2.97Å |
| 1159 | Q | 98.3 | Very high | 98.4 | Very high | 90 Ų | 90 | 31.2 Ų | 31.2 | 42% | 0.421 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -21.6 | -178.5 | 75.6 | -164.8 | -59.7 | 0 | 0 | 114.2 | N1162 Y1163 F1196 | Q1159-N1162 PolarHBondContact O-ND2 3.3Å; Q1159-Y1163 WeakPolarHBondContact O-CE2 3.33Å; Q1159-F1196 HydrophobicContact CB-CD1 4.34Å; Q1159-F1196 HydrophobicContact CB-CD2 4.25Å; Q1159-F1196 HydrophobicContact CB-CE1 3.8Å; Q1159-F1196 HydrophobicContact CB-CE2 3.7Å; Q1159-F1196 HydrophobicContact CB-CZ 3.45Å; Q1159-F1196 VanDerWaalsContact CB-CZ 3.45Å |
| 1160 | Y | 98.3 | Very high | 98.4 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -41.1 | 176.4 | -55.5 | -62.2 | 0 | 0 | 0 | 112.1 | S1120 T1121 S1123 D1158 N1162 Y1163 | S1120-Y1160 CarbonylContact O-C 3.25Å; T1121-Y1160 WeakPolarHBondContact O-CD2 3.44Å; S1123-Y1160 VanDerWaalsContact CB-CZ 3.49Å; D1158-Y1160 PolarHBondContact O-N 3.02Å; D1158-Y1160 WeakPolarHBondContact OD2-CA 3.32Å; D1158-Y1160 PolarHBondContact OD2-N 2.98Å; Y1160-N1162 PolarHBondContact O-N 3.1Å; Y1160-Y1163 PolarHBondContact O-N 2.98Å; Y1160-Y1163 VanDerWaalsContact O-N 3.1Å |
| 1161 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.5 | -31.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1120 L1155 D1158 Y1163 V1164 I1165 | S1120-G1161 WeakPolarHBondContact O-CA 3.49Å; S1120-G1161 PolarHBondContact O-N 2.72Å; L1155-G1161 CarbonylContact O-C 3.43Å; D1158-G1161 PolarHBondContact OD2-N 2.83Å; G1161-Y1163 PolarHBondContact O-N 3.5Å; G1161-V1164 WeakPolarHBondContact O-CB 3.46Å; G1161-V1164 PolarHBondContact O-N 3.09Å; G1161-I1165 PolarHBondContact O-N 3.26Å; G1161-I1165 VanDerWaalsContact O-N 3.11Å |
| 1162 | N | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.6 | -29.5 | 178.4 | 77.7 | 91.6 | 0 | 0 | 0 | 112.3 | L1155 D1158 Q1159 Y1160 Q1166 F1196 V1200 | L1155-N1162 WeakPolarHBondContact O-CA 3.37Å; L1155-N1162 PolarHBondContact O-N 2.68Å; D1158-N1162 WeakPolarHBondContact O-CB 3.48Å; D1158-N1162 PolarHBondContact O-N 3.27Å; D1158-N1162 PolarHBondContact O-ND2 2.97Å; Q1159-N1162 PolarHBondContact O-ND2 3.3Å; Y1160-N1162 PolarHBondContact O-N 3.1Å; N1162-Q1166 WeakPolarHBondContact O-CB 3.28Å; N1162-Q1166 WeakPolarHBondContact O-CG 3.5Å; N1162-Q1166 PolarHBondContact O-N 3.27Å; N1162-Q1166 PolarHBondContact O-NE2 3.31Å; N1162-Q1166 PolarHBondContact OD1-NE2 2.91Å; N1162-F1196 HydrophobicContact CB-CB 4.17Å; N1162-V1200 HydrophobicContact CB-CG2 3.77Å |
| 1163 | Y | 98.6 | Very high | 98.1 | Very high | 52 Ų | 52 | 35.5 Ų | 35.5 | 20% | 0.204 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.4 | -33.8 | 176 | -63.6 | -69.2 | 0 | 0 | 0 | 112.1 | S103 Q1159 Y1160 G1161 H1167 | S103-Y1163 VanDerWaalsContact CB-CZ 3.41Å; S103-Y1163 VanDerWaalsContact CB-OH 3.23Å; S103-Y1163 WeakPolarHBondContact CB-OH 3.43Å; S103-Y1163 PolarHBondContact OG-OH 3.36Å; Q1159-Y1163 WeakPolarHBondContact O-CE2 3.33Å; Y1160-Y1163 PolarHBondContact O-N 2.98Å; Y1160-Y1163 VanDerWaalsContact O-N 3.1Å; G1161-Y1163 PolarHBondContact O-N 3.5Å; Y1163-H1167 WeakPolarHBondContact O-CB 3.49Å; Y1163-H1167 PolarHBondContact O-N 2.81Å |
| 1164 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.4 | -44.4 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | C1126 I1129 L1133 L1148 G1161 H1167 V1168 | C1126-V1164 HydrophobicContact CB-CG2 3.92Å; I1129-V1164 HydrophobicContact CB-CG2 4.38Å; I1129-V1164 HydrophobicContact CG2-CB 4.49Å; I1129-V1164 HydrophobicContact CG2-CG1 3.57Å; I1129-V1164 HydrophobicContact CG2-CG2 4.07Å; L1133-V1164 HydrophobicContact CD1-CG1 4.34Å; L1148-V1164 HydrophobicContact CD1-CG1 3.79Å; L1148-V1164 HydrophobicContact CD2-CG1 3.7Å; L1148-V1164 HydrophobicContact CG-CG1 4.44Å; G1161-V1164 WeakPolarHBondContact O-CB 3.46Å; G1161-V1164 PolarHBondContact O-N 3.09Å; V1164-H1167 WeakPolarHBondContact O-CB 2.94Å; V1164-H1167 PolarHBondContact O-N 2.99Å; V1164-V1168 PolarHBondContact O-N 3.49Å; V1164-V1168 VanDerWaalsContact O-N 3.08Å |
| 1165 | I | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.5 | -40.4 | 177.3 | -55.8 | -59.6 | 0 | 0 | 0 | 111.5 | L1155 V1156 G1161 H1167 V1168 L1169 I1180 V1200 | L1155-I1165 HydrophobicContact CB-CD1 3.81Å; L1155-I1165 HydrophobicContact CB-CG1 3.66Å; L1155-I1165 HydrophobicContact CD1-CD1 4.08Å; V1156-I1165 HydrophobicContact CG2-CG1 4.33Å; V1156-I1165 HydrophobicContact CG2-CG2 4Å; G1161-I1165 PolarHBondContact O-N 3.26Å; G1161-I1165 VanDerWaalsContact O-N 3.11Å; I1165-H1167 VanDerWaalsContact C-N 3.32Å; I1165-H1167 PolarHBondContact O-N 3.11Å; I1165-V1168 PolarHBondContact O-N 3.27Å; I1165-L1169 HydrophobicContact CG2-CD1 4.3Å; I1165-L1169 WeakPolarHBondContact O-CG 3.43Å; I1165-L1169 PolarHBondContact O-N 2.82Å; I1165-I1180 HydrophobicContact CG2-CD1 4.09Å; I1165-I1180 HydrophobicContact CG2-CG1 4.32Å; I1165-I1180 HydrophobicContact CG2-CG2 3.51Å; I1165-V1200 HydrophobicContact CB-CG1 4.23Å; I1165-V1200 HydrophobicContact CG2-CG1 3.55Å |
| 1166 | Q | 98.7 | Very high | 98 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 171.9 | -75.8 | 179.2 | 84.2 | 0 | 0 | 112.1 | N1162 L1169 E1170 V1200 K1203 | N1162-Q1166 WeakPolarHBondContact O-CB 3.28Å; N1162-Q1166 WeakPolarHBondContact O-CG 3.5Å; N1162-Q1166 PolarHBondContact O-N 3.27Å; N1162-Q1166 PolarHBondContact O-NE2 3.31Å; N1162-Q1166 PolarHBondContact OD1-NE2 2.91Å; Q1166-L1169 WeakPolarHBondContact O-CB 3.34Å; Q1166-L1169 PolarHBondContact O-N 2.9Å; Q1166-E1170 PolarHBondContact O-N 3.37Å; Q1166-V1200 HydrophobicContact CG-CG2 4.21Å; Q1166-K1203 HydrophobicContact CB-CG 3.94Å; Q1166-K1203 HydrophobicContact CG-CB 4.19Å; Q1166-K1203 HydrophobicContact CG-CG 3.55Å |
| 1167 | H | 98.6 | Very high | 98 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 177.5 | -169.9 | 100.3 | 0 | 0 | 0 | 112 | Q1130 E1134 Y1163 V1164 I1165 L1169 E1170 H1171 | Q1130-H1167 HydrophobicContact CG-CB 4.08Å; E1134-H1167 VanDerWaalsContact CG-CE1 3.42Å; E1134-H1167 WeakPolarHBondContact CG-CE1 3.45Å; E1134-H1167 IonicContact OE1-CE1 3.98Å; E1134-H1167 PolarHBondContact OE1-CE1 3.45Å; E1134-H1167 IonicContact OE1-ND1 2.69Å; E1134-H1167 IonicContact OE1-NE2 2.65Å; Y1163-H1167 WeakPolarHBondContact O-CB 3.49Å; Y1163-H1167 PolarHBondContact O-N 2.81Å; V1164-H1167 WeakPolarHBondContact O-CB 2.94Å; V1164-H1167 PolarHBondContact O-N 2.99Å; I1165-H1167 VanDerWaalsContact C-N 3.32Å; I1165-H1167 PolarHBondContact O-N 3.11Å; H1167-L1169 VanDerWaalsContact C-N 3.34Å; H1167-L1169 PolarHBondContact O-N 3.18Å; H1167-E1170 PolarHBondContact O-N 3.49Å; H1167-H1171 AromaticContact CD2-ND1 3.79Å; H1167-H1171 AromaticContact CE1-CE1 3.67Å; H1167-H1171 AromaticContact CE1-ND1 3.04Å; H1167-H1171 PolarHBondContact CE1-ND1 2.82Å; H1167-H1171 AromaticContact ND1-ND1 3.66Å; H1167-H1171 AromaticContact NE2-CG 3.93Å; H1167-H1171 AromaticContact NE2-ND1 3.09Å; H1167-H1171 PolarHBondContact NE2-ND1 3.18Å; H1167-H1171 PolarHBondContact O-N 2.66Å |
| 1168 | V | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65 | -38.1 | 176 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | L1133 L1145 V1164 I1165 E1170 G1172 D1176 I1180 | L1133-V1168 HydrophobicContact CD1-CG2 3.89Å; L1145-V1168 HydrophobicContact CD2-CG1 4.08Å; L1145-V1168 HydrophobicContact CD2-CG2 3.83Å; V1164-V1168 PolarHBondContact O-N 3.49Å; V1164-V1168 VanDerWaalsContact O-N 3.08Å; I1165-V1168 PolarHBondContact O-N 3.27Å; V1168-E1170 VanDerWaalsContact C-N 3.29Å; V1168-E1170 PolarHBondContact O-N 2.91Å; V1168-G1172 VanDerWaalsContact O-CA 3.27Å; V1168-G1172 WeakPolarHBondContact O-CA 3.48Å; V1168-G1172 PolarHBondContact O-N 2.91Å; V1168-D1176 HydrophobicContact CG1-CB 3.72Å; V1168-I1180 HydrophobicContact CB-CD1 3.73Å; V1168-I1180 HydrophobicContact CG1-CD1 3.5Å |
| 1169 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -31.6 | 173.7 | -75.6 | 169.7 | 0 | 0 | 0 | 113.2 | I1165 Q1166 H1167 K1177 I1180 V1181 V1200 K1203 A1204 N1207 | I1165-L1169 HydrophobicContact CG2-CD1 4.3Å; I1165-L1169 WeakPolarHBondContact O-CG 3.43Å; I1165-L1169 PolarHBondContact O-N 2.82Å; Q1166-L1169 WeakPolarHBondContact O-CB 3.34Å; Q1166-L1169 PolarHBondContact O-N 2.9Å; H1167-L1169 VanDerWaalsContact C-N 3.34Å; H1167-L1169 PolarHBondContact O-N 3.18Å; L1169-K1177 HydrophobicContact CD2-CB 4.48Å; L1169-K1177 VanDerWaalsContact O-CD 3.28Å; L1169-K1177 WeakPolarHBondContact O-CD 3.29Å; L1169-K1177 WeakPolarHBondContact O-CE 3.37Å; L1169-K1177 PolarHBondContact O-NZ 3.07Å; L1169-I1180 HydrophobicContact CD1-CG2 3.9Å; L1169-I1180 HydrophobicContact CD2-CB 4Å; L1169-I1180 HydrophobicContact CD2-CD1 4.49Å; L1169-I1180 HydrophobicContact CD2-CG2 3.76Å; L1169-I1180 HydrophobicContact CG-CB 4.43Å; L1169-I1180 HydrophobicContact CG-CD1 4.3Å; L1169-I1180 HydrophobicContact CG-CG2 3.87Å; L1169-V1181 HydrophobicContact CD2-CG2 4.33Å; L1169-V1200 HydrophobicContact CD1-CG1 3.65Å; L1169-K1203 HydrophobicContact CB-CB 4.25Å; L1169-K1203 HydrophobicContact CD1-CB 4.13Å; L1169-A1204 HydrophobicContact CD1-CB 3.96Å; L1169-A1204 HydrophobicContact CD2-CB 4.26Å; L1169-N1207 WeakPolarHBondContact O-CB 3.28Å; L1169-N1207 VanDerWaalsContact O-CG 3.22Å |
| 1170 | E | 97.9 | Very high | 98 | Very high | 68 Ų | 68 | 41.7 Ų | 41.7 | 32% | 0.318 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -86 | -49 | 179.6 | -72.9 | 178.1 | 125 | 0 | 0 | 112.3 | Q1166 H1167 V1168 K1177 K1203 | Q1166-E1170 PolarHBondContact O-N 3.37Å; H1167-E1170 PolarHBondContact O-N 3.49Å; V1168-E1170 VanDerWaalsContact C-N 3.29Å; V1168-E1170 PolarHBondContact O-N 2.91Å; E1170-K1177 VanDerWaalsContact C-NZ 3.34Å; E1170-K1177 PolarHBondContact O-NZ 3.07Å; E1170-K1203 HydrophobicContact CG-CD 4.36Å; E1170-K1203 WeakPolarHBondContact OE1-CD 3.46Å; E1170-K1203 IonicContact OE1-NZ 3.41Å; E1170-K1203 PolarHBondContact OE1-NZ 3.5Å; E1170-K1203 IonicContact OE2-NZ 3.62Å; E1170-K1203 PolarHBondContact OE2-NZ 2.69Å |
| 1171 | H | 96.2 | Very high | 98 | Very high | 129 Ų | 129 | 40.2 Ų | 40.2 | 60% | 0.597 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -113.6 | -12.2 | -170.2 | -47.3 | 143.9 | 0 | 0 | 0 | 115.4 | H1167 | H1167-H1171 AromaticContact CD2-ND1 3.79Å; H1167-H1171 AromaticContact CE1-CE1 3.67Å; H1167-H1171 AromaticContact CE1-ND1 3.04Å; H1167-H1171 PolarHBondContact CE1-ND1 2.82Å; H1167-H1171 AromaticContact ND1-ND1 3.66Å; H1167-H1171 AromaticContact NE2-CG 3.93Å; H1167-H1171 AromaticContact NE2-ND1 3.09Å; H1167-H1171 PolarHBondContact NE2-ND1 3.18Å; H1167-H1171 PolarHBondContact O-N 2.66Å |
| 1172 | G | 95.8 | Very high | 97.9 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 25% | 0.247 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -69.3 | 170.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1168 K1177 | V1168-G1172 VanDerWaalsContact O-CA 3.27Å; V1168-G1172 WeakPolarHBondContact O-CA 3.48Å; V1168-G1172 PolarHBondContact O-N 2.91Å; G1172-K1177 WeakPolarHBondContact O-CE 3.41Å |
| 1173 | K | 96.3 | Very high | 97.8 | Very high | 100 Ų | 100 | 48.9 Ų | 48.9 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | trans | -65.4 | 152.1 | 174.6 | -59 | 174.2 | -177.8 | 174 | 0 | 110.4 | E1175 D1176 K1177 | K1173-E1175 PolarHBondContact O-N 3.45Å; K1173-E1175 VanDerWaalsContact O-N 3.14Å; K1173-D1176 PolarHBondContact O-N 3.09Å; K1173-K1177 WeakPolarHBondContact O-CG 3.33Å; K1173-K1177 PolarHBondContact O-N 3.22Å | ||
| 1174 | T | 96.8 | Very high | 97.8 | Very high | 105 Ų | 105 | 46.5 Ų | 46.5 | 64% | 0.644 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -50.8 | -41.2 | 177.6 | -46.5 | 0 | 0 | 0 | 0 | 112.3 | D1176 K1177 S1178 | T1174-D1176 PolarHBondContact O-N 3.31Å; T1174-K1177 PolarHBondContact O-N 2.93Å; T1174-S1178 WeakPolarHBondContact O-CB 3.44Å; T1174-S1178 PolarHBondContact O-N 3.13Å; T1174-S1178 PolarHBondContact O-OG 3.22Å |
| 1175 | E | 97.2 | Very high | 97.7 | Very high | 124 Ų | 124 | 50.2 Ų | 50.2 | 58% | 0.579 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -57.1 | -43.9 | 176.5 | -63.9 | 155.6 | -117.5 | 0 | 0 | 113.1 | K1173 R1179 | K1173-E1175 PolarHBondContact O-N 3.45Å; K1173-E1175 VanDerWaalsContact O-N 3.14Å; E1175-R1179 VanDerWaalsContact O-CG 3.32Å; E1175-R1179 WeakPolarHBondContact O-CG 3.48Å; E1175-R1179 PolarHBondContact O-N 3.39Å; E1175-R1179 VanDerWaalsContact O-N 3.09Å |
| 1176 | D | 98 | Very high | 97.5 | Very high | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.053 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.3 | -38.2 | 178.5 | -62 | -62.3 | 0 | 0 | 0 | 111.4 | H1149 V1168 K1173 T1174 R1179 I1180 | H1149-D1176 IonicContact CD2-OD1 3.03Å; H1149-D1176 IonicContact CE1-OD1 3.27Å; H1149-D1176 IonicContact NE2-OD1 2.68Å; H1149-D1176 PolarHBondContact NE2-OD1 3.27Å; V1168-D1176 HydrophobicContact CG1-CB 3.72Å; K1173-D1176 PolarHBondContact O-N 3.09Å; T1174-D1176 PolarHBondContact O-N 3.31Å; D1176-R1179 PolarHBondContact O-N 3.01Å; D1176-R1179 IonicContact OD1-NH1 2.74Å; D1176-I1180 WeakPolarHBondContact O-CG1 3.49Å; D1176-I1180 PolarHBondContact O-N 3.39Å |
| 1177 | K | 98.3 | Very high | 97.4 | Very high | 31 Ų | 31 | 56.2 Ų | 56.2 | 14% | 0.135 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -48 | 173.5 | -59.7 | -171.4 | -175.3 | -150.9 | 0 | 111 | L1169 E1170 G1172 K1173 T1174 R1179 I1180 V1181 | L1169-K1177 HydrophobicContact CD2-CB 4.48Å; L1169-K1177 VanDerWaalsContact O-CD 3.28Å; L1169-K1177 WeakPolarHBondContact O-CD 3.29Å; L1169-K1177 WeakPolarHBondContact O-CE 3.37Å; L1169-K1177 PolarHBondContact O-NZ 3.07Å; E1170-K1177 VanDerWaalsContact C-NZ 3.34Å; E1170-K1177 PolarHBondContact O-NZ 3.07Å; G1172-K1177 WeakPolarHBondContact O-CE 3.41Å; K1173-K1177 WeakPolarHBondContact O-CG 3.33Å; K1173-K1177 PolarHBondContact O-N 3.22Å; T1174-K1177 PolarHBondContact O-N 2.93Å; K1177-R1179 PolarHBondContact O-N 3.47Å; K1177-I1180 PolarHBondContact O-N 3.49Å; K1177-V1181 WeakPolarHBondContact O-CG2 3.38Å; K1177-V1181 PolarHBondContact O-N 3.36Å |
| 1178 | S | 98.2 | Very high | 97.4 | Very high | 38 Ų | 38 | 55.6 Ų | 55.6 | 27% | 0.266 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 178.8 | -68.4 | 0 | 0 | 0 | 0 | 112.9 | T1174 I1180 V1181 E1182 E1212 | T1174-S1178 WeakPolarHBondContact O-CB 3.44Å; T1174-S1178 PolarHBondContact O-N 3.13Å; T1174-S1178 PolarHBondContact O-OG 3.22Å; S1178-I1180 PolarHBondContact O-N 3Å; S1178-V1181 PolarHBondContact O-N 2.95Å; S1178-E1182 PolarHBondContact O-N 3.38Å; S1178-E1212 VanDerWaalsContact CA-OE1 3.26Å; S1178-E1212 WeakPolarHBondContact CA-OE1 3.49Å; S1178-E1212 WeakPolarHBondContact CB-OE1 3.27Å; S1178-E1212 PolarHBondContact OG-OE1 2.79Å |
| 1179 | R | 98.1 | Very high | 97.2 | Very high | 122 Ų | 122 | 56.3 Ų | 56.3 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 173.2 | -73.1 | 170.1 | -170.4 | 179.6 | 6.4 | 112.1 | E1175 D1176 K1177 H1183 | E1175-R1179 VanDerWaalsContact O-CG 3.32Å; E1175-R1179 WeakPolarHBondContact O-CG 3.48Å; E1175-R1179 PolarHBondContact O-N 3.39Å; E1175-R1179 VanDerWaalsContact O-N 3.09Å; D1176-R1179 PolarHBondContact O-N 3.01Å; D1176-R1179 IonicContact OD1-NH1 2.74Å; K1177-R1179 PolarHBondContact O-N 3.47Å; R1179-H1183 PolarHBondContact O-N 3.09Å; R1179-H1183 PolarHBondContact O-ND1 2.88Å |
| 1180 | I | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 177.5 | -65.5 | 161.4 | 0 | 0 | 0 | 111 | T1152 I1165 V1168 L1169 D1176 K1177 S1178 H1183 I1184 | T1152-I1180 HydrophobicContact CG2-CG1 4.47Å; I1165-I1180 HydrophobicContact CG2-CD1 4.09Å; I1165-I1180 HydrophobicContact CG2-CG1 4.32Å; I1165-I1180 HydrophobicContact CG2-CG2 3.51Å; V1168-I1180 HydrophobicContact CB-CD1 3.73Å; V1168-I1180 HydrophobicContact CG1-CD1 3.5Å; L1169-I1180 HydrophobicContact CD1-CG2 3.9Å; L1169-I1180 HydrophobicContact CD2-CB 4Å; L1169-I1180 HydrophobicContact CD2-CD1 4.49Å; L1169-I1180 HydrophobicContact CD2-CG2 3.76Å; L1169-I1180 HydrophobicContact CG-CB 4.43Å; L1169-I1180 HydrophobicContact CG-CD1 4.3Å; L1169-I1180 HydrophobicContact CG-CG2 3.87Å; D1176-I1180 WeakPolarHBondContact O-CG1 3.49Å; D1176-I1180 PolarHBondContact O-N 3.39Å; K1177-I1180 PolarHBondContact O-N 3.49Å; S1178-I1180 PolarHBondContact O-N 3Å; I1180-H1183 WeakPolarHBondContact O-CB 3.28Å; I1180-H1183 PolarHBondContact O-N 2.99Å; I1180-I1184 HydrophobicContact CG2-CD1 4.02Å; I1180-I1184 WeakPolarHBondContact O-CG1 3.33Å; I1180-I1184 PolarHBondContact O-N 3.11Å |
| 1181 | V | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.8 | -43 | 177.4 | 163.8 | 0 | 0 | 0 | 0 | 112.2 | L1169 K1177 S1178 H1183 I1184 K1185 A1204 A1208 E1212 L1216 | L1169-V1181 HydrophobicContact CD2-CG2 4.33Å; K1177-V1181 WeakPolarHBondContact O-CG2 3.38Å; K1177-V1181 PolarHBondContact O-N 3.36Å; S1178-V1181 PolarHBondContact O-N 2.95Å; V1181-H1183 PolarHBondContact O-N 3.22Å; V1181-I1184 PolarHBondContact O-N 3.02Å; V1181-K1185 PolarHBondContact O-N 3.13Å; V1181-A1204 HydrophobicContact CG2-CB 4.33Å; V1181-A1208 HydrophobicContact CG2-CB 4.03Å; V1181-E1212 HydrophobicContact CG1-CB 3.95Å; V1181-E1212 HydrophobicContact CG1-CG 3.96Å; V1181-L1216 HydrophobicContact CG1-CD1 4.16Å; V1181-L1216 HydrophobicContact CG1-CD2 4.48Å; V1181-L1216 HydrophobicContact CG1-CG 4.44Å |
| 1182 | E | 97.1 | Very high | 97.3 | Very high | 116 Ų | 116 | 53 Ų | 53 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.4 | -27.7 | 178.1 | -165.6 | 64.7 | -159.5 | 0 | 0 | 111.9 | S1178 K1185 | S1178-E1182 PolarHBondContact O-N 3.38Å; E1182-K1185 WeakPolarHBondContact OE1-CD 3.35Å; E1182-K1185 IonicContact OE1-NZ 3.65Å; E1182-K1185 PolarHBondContact OE1-NZ 2.97Å; E1182-K1185 WeakPolarHBondContact OE2-CD 3.47Å; E1182-K1185 IonicContact OE2-NZ 3.4Å; E1182-K1185 PolarHBondContact OE2-NZ 3.18Å |
| 1183 | H | 96.6 | Very high | 97.3 | Very high | 66 Ų | 66 | 54.2 Ų | 54.2 | 31% | 0.306 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -71.6 | -28.3 | 168.5 | -71.4 | 85.5 | 0 | 0 | 0 | 112.9 | T1152 D1153 R1179 I1180 V1181 R1187 | T1152-H1183 HydrophobicContact CG2-CB 3.9Å; D1153-H1183 IonicContact OD1-CD2 3.65Å; D1153-H1183 PolarHBondContact OD1-CD2 3.29Å; R1179-H1183 PolarHBondContact O-N 3.09Å; R1179-H1183 PolarHBondContact O-ND1 2.88Å; I1180-H1183 WeakPolarHBondContact O-CB 3.28Å; I1180-H1183 PolarHBondContact O-N 2.99Å; V1181-H1183 PolarHBondContact O-N 3.22Å; H1183-R1187 VanDerWaalsContact O-CZ 3.25Å; H1183-R1187 PolarHBondContact O-NE 3.14Å; H1183-R1187 PolarHBondContact O-NH2 3.22Å |
| 1184 | I | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -81.3 | -33.1 | -179.2 | -69 | 167.4 | 0 | 0 | 0 | 111.7 | I1180 V1181 R1187 V1188 L1191 V1200 V1201 A1204 L1216 | I1180-I1184 HydrophobicContact CG2-CD1 4.02Å; I1180-I1184 WeakPolarHBondContact O-CG1 3.33Å; I1180-I1184 PolarHBondContact O-N 3.11Å; V1181-I1184 PolarHBondContact O-N 3.02Å; I1184-R1187 CarbonylContact O-C 3.47Å; I1184-R1187 VanDerWaalsContact O-C 3.31Å; I1184-R1187 WeakPolarHBondContact O-CA 3.28Å; I1184-R1187 PolarHBondContact O-N 3.07Å; I1184-R1187 VanDerWaalsContact O-N 3.15Å; I1184-V1188 HydrophobicContact CG2-CG2 4.08Å; I1184-V1188 PolarHBondContact O-N 3.22Å; I1184-V1188 VanDerWaalsContact O-N 3.13Å; I1184-L1191 HydrophobicContact CB-CD1 4.29Å; I1184-L1191 HydrophobicContact CG1-CD1 4.09Å; I1184-L1191 HydrophobicContact CG2-CD1 4.23Å; I1184-V1200 HydrophobicContact CD1-CG1 4.13Å; I1184-V1201 HydrophobicContact CG2-CG1 4.44Å; I1184-V1201 HydrophobicContact CG2-CG2 4.05Å; I1184-A1204 HydrophobicContact CD1-CB 3.46Å; I1184-A1204 VanDerWaalsContact CD1-CB 3.46Å; I1184-L1216 HydrophobicContact CG2-CD2 4.07Å |
| 1185 | K | 96.6 | Very high | 97.5 | Very high | 79 Ų | 79 | 53.3 Ų | 53.3 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 145.7 | 175.5 | -174 | -172.2 | 175.9 | -164.1 | 0 | 112.4 | V1181 E1182 R1187 L1216 E1219 | V1181-K1185 PolarHBondContact O-N 3.13Å; E1182-K1185 WeakPolarHBondContact OE1-CD 3.35Å; E1182-K1185 IonicContact OE1-NZ 3.65Å; E1182-K1185 PolarHBondContact OE1-NZ 2.97Å; E1182-K1185 WeakPolarHBondContact OE2-CD 3.47Å; E1182-K1185 IonicContact OE2-NZ 3.4Å; E1182-K1185 PolarHBondContact OE2-NZ 3.18Å; K1185-R1187 PolarHBondContact O-N 2.89Å; K1185-R1187 VanDerWaalsContact O-N 3.16Å; K1185-L1216 HydrophobicContact CB-CD2 4.2Å; K1185-E1219 WeakPolarHBondContact CA-OE2 3.43Å |
| 1186 | G | 95.4 | Very high | 97.6 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 64% | 0.639 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67 | 1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E1219 | G1186-E1219 WeakPolarHBondContact CA-OE1 3.35Å; G1186-E1219 PolarHBondContact N-OE1 3.4Å; G1186-E1219 PolarHBondContact N-OE2 3.38Å |
| 1187 | R | 96.6 | Very high | 97.6 | Very high | 82 Ų | 82 | 49.4 Ų | 49.4 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | trans | -139.3 | 8.6 | -172.8 | -57.1 | -168.9 | -69.7 | -179.8 | 4.3 | 113.1 | D1153 H1183 I1184 K1185 A1189 K1190 L1191 E1219 | D1153-R1187 IonicContact OD1-CZ 2.68Å; D1153-R1187 IonicContact OD1-NH1 3.63Å; D1153-R1187 IonicContact OD1-NH2 2.73Å; D1153-R1187 PolarHBondContact OD1-NH2 2.84Å; D1153-R1187 IonicContact OD2-CZ 2.81Å; D1153-R1187 IonicContact OD2-NH1 2.69Å; D1153-R1187 PolarHBondContact OD2-NH1 3.31Å; D1153-R1187 IonicContact OD2-NH2 3.73Å; D1153-R1187 PolarHBondContact OD2-NH2 3.01Å; H1183-R1187 VanDerWaalsContact O-CZ 3.25Å; H1183-R1187 PolarHBondContact O-NE 3.14Å; H1183-R1187 PolarHBondContact O-NH2 3.22Å; I1184-R1187 CarbonylContact O-C 3.47Å; I1184-R1187 VanDerWaalsContact O-C 3.31Å; I1184-R1187 WeakPolarHBondContact O-CA 3.28Å; I1184-R1187 PolarHBondContact O-N 3.07Å; I1184-R1187 VanDerWaalsContact O-N 3.15Å; K1185-R1187 PolarHBondContact O-N 2.89Å; K1185-R1187 VanDerWaalsContact O-N 3.16Å; R1187-A1189 VanDerWaalsContact C-N 3.32Å; R1187-A1189 PolarHBondContact O-N 3.31Å; R1187-K1190 PolarHBondContact O-N 3.26Å; R1187-K1190 VanDerWaalsContact O-N 3.11Å; R1187-L1191 HydrophobicContact CB-CD1 4.11Å; R1187-L1191 HydrophobicContact CB-CG 4.28Å; R1187-L1191 WeakPolarHBondContact O-CG 3.49Å; R1187-L1191 PolarHBondContact O-N 3.08Å; R1187-E1219 PolarHBondContact N-OE1 3.23Å | ||
| 1188 | V | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.6 | -48.3 | -176.7 | 172 | 0 | 0 | 0 | 0 | 110.7 | I1184 L1191 S1192 V1201 L1216 E1219 I1220 M1269 M1282 | I1184-V1188 HydrophobicContact CG2-CG2 4.08Å; I1184-V1188 PolarHBondContact O-N 3.22Å; I1184-V1188 VanDerWaalsContact O-N 3.13Å; V1188-L1191 PolarHBondContact O-N 3.19Å; V1188-S1192 WeakPolarHBondContact O-CB 3.45Å; V1188-S1192 PolarHBondContact O-N 3.41Å; V1188-S1192 PolarHBondContact O-OG 3.26Å; V1188-V1201 HydrophobicContact CG1-CG1 4.11Å; V1188-L1216 HydrophobicContact CG2-CB 4.38Å; V1188-L1216 HydrophobicContact CG2-CD2 3.66Å; V1188-E1219 VanDerWaalsContact CB-OE1 3.25Å; V1188-E1219 WeakPolarHBondContact CB-OE1 3.3Å; V1188-E1219 WeakPolarHBondContact CG2-OE1 3.5Å; V1188-E1219 WeakPolarHBondContact CG2-OE2 3.44Å; V1188-E1219 PolarHBondContact N-OE1 3.36Å; V1188-I1220 HydrophobicContact CB-CG2 4.25Å; V1188-I1220 HydrophobicContact CG1-CG2 3.67Å; V1188-M1269 HydrophobicContact CG1-CE 4.41Å; V1188-M1282 HydrophobicContact CG1-CE 3.86Å |
| 1189 | A | 96.2 | Very high | 97.6 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 17% | 0.174 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1187 L1191 S1192 V1193 V1265 M1268 M1269 | R1187-A1189 VanDerWaalsContact C-N 3.32Å; R1187-A1189 PolarHBondContact O-N 3.31Å; A1189-L1191 VanDerWaalsContact C-N 3.35Å; A1189-L1191 PolarHBondContact O-N 2.96Å; A1189-S1192 PolarHBondContact O-N 3.43Å; A1189-V1193 PolarHBondContact O-N 2.79Å; A1189-V1265 HydrophobicContact CB-CG1 3.51Å; A1189-M1268 HydrophobicContact CB-CE 4.3Å; A1189-M1269 HydrophobicContact CB-SD 4.11Å |
| 1190 | K | 96.7 | Very high | 97.7 | Very high | 116 Ų | 116 | 43.3 Ų | 43.3 | 50% | 0.504 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.3 | -36.1 | -179.5 | -175.7 | 172.4 | -177.9 | 174 | 0 | 112.2 | R1187 | R1187-K1190 PolarHBondContact O-N 3.26Å; R1187-K1190 VanDerWaalsContact O-N 3.11Å |
| 1191 | L | 98.3 | Very high | 97.7 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.058 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -80.7 | -32.1 | 178.6 | -64.1 | 174.7 | 0 | 0 | 0 | 112.4 | V1156 I1184 R1187 V1188 A1189 V1193 H1194 A1197 S1198 V1201 | V1156-L1191 HydrophobicContact CG1-CD1 4.37Å; V1156-L1191 HydrophobicContact CG1-CD2 4.03Å; I1184-L1191 HydrophobicContact CB-CD1 4.29Å; I1184-L1191 HydrophobicContact CG1-CD1 4.09Å; I1184-L1191 HydrophobicContact CG2-CD1 4.23Å; R1187-L1191 HydrophobicContact CB-CD1 4.11Å; R1187-L1191 HydrophobicContact CB-CG 4.28Å; R1187-L1191 WeakPolarHBondContact O-CG 3.49Å; R1187-L1191 PolarHBondContact O-N 3.08Å; V1188-L1191 PolarHBondContact O-N 3.19Å; A1189-L1191 VanDerWaalsContact C-N 3.35Å; A1189-L1191 PolarHBondContact O-N 2.96Å; L1191-V1193 PolarHBondContact O-N 3.5Å; L1191-H1194 PolarHBondContact O-N 2.95Å; L1191-A1197 HydrophobicContact CB-CB 4.12Å; L1191-A1197 HydrophobicContact CD2-CB 4Å; L1191-A1197 CarbonylContact O-C 3.35Å; L1191-A1197 WeakPolarHBondContact O-CB 3.45Å; L1191-S1198 PolarHBondContact O-N 2.67Å; L1191-V1201 HydrophobicContact CB-CG2 3.65Å |
| 1192 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.8 | -31.8 | -179.1 | -63.4 | 0 | 0 | 0 | 0 | 113.8 | V1188 A1189 H1194 S1198 M1269 F1274 A1275 | V1188-S1192 WeakPolarHBondContact O-CB 3.45Å; V1188-S1192 PolarHBondContact O-N 3.41Å; V1188-S1192 PolarHBondContact O-OG 3.26Å; A1189-S1192 PolarHBondContact O-N 3.43Å; S1192-H1194 PolarHBondContact O-N 2.96Å; S1192-S1198 VanDerWaalsContact O-CB 3.25Å; S1192-S1198 WeakPolarHBondContact O-CB 3.48Å; S1192-M1269 WeakPolarHBondContact OG-CE 3.3Å; S1192-F1274 CarbonylContact O-C 3.58Å; S1192-F1274 WeakPolarHBondContact O-CB 3.48Å; S1192-A1275 VanDerWaalsContact O-CA 3.31Å; S1192-A1275 WeakPolarHBondContact O-CA 3.4Å; S1192-A1275 WeakPolarHBondContact O-CB 3.5Å; S1192-A1275 PolarHBondContact O-N 2.85Å; S1192-A1275 VanDerWaalsContact O-N 3.12Å |
| 1193 | V | 97.3 | Very high | 97.7 | Very high | 50 Ų | 50 | 42 Ų | 42 | 30% | 0.303 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 5.6 | 177.4 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | A1189 L1191 M1268 D1272 F1274 A1275 | A1189-V1193 PolarHBondContact O-N 2.79Å; L1191-V1193 PolarHBondContact O-N 3.5Å; V1193-M1268 HydrophobicContact CG1-CE 4.41Å; V1193-D1272 WeakPolarHBondContact CA-OD2 3.43Å; V1193-D1272 HydrophobicContact CG1-CB 4.17Å; V1193-F1274 WeakPolarHBondContact O-CD2 3.49Å; V1193-A1275 HydrophobicContact CG1-CB 3.98Å |
| 1194 | H | 98.2 | Very high | 97.8 | Very high | 66 Ų | 66 | 38.8 Ų | 38.8 | 31% | 0.306 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -112 | 127.9 | -175.1 | 173.8 | -80.2 | 0 | 0 | 0 | 111.7 | K1157 L1191 S1192 F1196 A1197 S1198 | K1157-H1194 PolarHBondContact O-CE1 2.82Å; K1157-H1194 VanDerWaalsContact O-CE1 3.28Å; L1191-H1194 PolarHBondContact O-N 2.95Å; S1192-H1194 PolarHBondContact O-N 2.96Å; H1194-F1196 VanDerWaalsContact C-N 3.3Å; H1194-F1196 AromaticContact CE1-CD2 3.97Å; H1194-F1196 PolarHBondContact ND1-N 3.18Å; H1194-F1196 PolarHBondContact O-N 2.92Å; H1194-A1197 HydrophobicContact CB-CB 4.2Å; H1194-A1197 WeakPolarHBondContact ND1-CB 3.44Å; H1194-A1197 PolarHBondContact ND1-N 3.06Å; H1194-A1197 PolarHBondContact O-N 3.5Å; H1194-S1198 VanDerWaalsContact O-CB 3.31Å; H1194-S1198 WeakPolarHBondContact O-CB 3.27Å; H1194-S1198 PolarHBondContact O-N 2.95Å; H1194-S1198 PolarHBondContact O-OG 2.81Å |
| 1195 | K | 98.1 | Very high | 97.8 | Very high | 119 Ų | 119 | 38.8 Ų | 38.8 | 52% | 0.517 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.3 | -41.8 | -168.3 | -179.3 | 177.4 | 172.1 | 63.4 | 0 | 116.4 | S1198 N1199 F1274 | K1195-S1198 PolarHBondContact O-OG 3.13Å; K1195-N1199 PolarHBondContact O-ND2 2.9Å; K1195-F1274 HydrophobicContact CB-CE1 3.98Å; K1195-F1274 HydrophobicContact CB-CE2 3.98Å; K1195-F1274 HydrophobicContact CB-CZ 3.68Å; K1195-F1274 HydrophobicContact CD-CZ 4.49Å; K1195-F1274 HydrophobicContact CG-CE1 3.92Å; K1195-F1274 HydrophobicContact CG-CZ 3.94Å |
| 1196 | F | 98.4 | Very high | 97.9 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 23% | 0.228 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -56.2 | -176.9 | -57 | -65 | 0 | 0 | 0 | 111.5 | K1157 Q1159 N1162 H1194 S1198 N1199 | K1157-F1196 WeakPolarHBondContact O-CD2 3.22Å; Q1159-F1196 HydrophobicContact CB-CD1 4.34Å; Q1159-F1196 HydrophobicContact CB-CD2 4.25Å; Q1159-F1196 HydrophobicContact CB-CE1 3.8Å; Q1159-F1196 HydrophobicContact CB-CE2 3.7Å; Q1159-F1196 HydrophobicContact CB-CZ 3.45Å; Q1159-F1196 VanDerWaalsContact CB-CZ 3.45Å; N1162-F1196 HydrophobicContact CB-CB 4.17Å; H1194-F1196 VanDerWaalsContact C-N 3.3Å; H1194-F1196 AromaticContact CE1-CD2 3.97Å; H1194-F1196 PolarHBondContact ND1-N 3.18Å; H1194-F1196 PolarHBondContact O-N 2.92Å; F1196-S1198 PolarHBondContact O-N 2.85Å; F1196-S1198 VanDerWaalsContact O-N 3.1Å; F1196-N1199 WeakPolarHBondContact O-CB 3.29Å; F1196-N1199 PolarHBondContact O-N 3.13Å; F1196-N1199 VanDerWaalsContact O-N 3.09Å; F1196-N1199 PolarHBondContact O-ND2 3.35Å |
| 1197 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -49.3 | -32.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | V1156 L1191 H1194 N1199 V1200 V1201 | V1156-A1197 HydrophobicContact CG1-CB 3.68Å; V1156-A1197 WeakPolarHBondContact O-CA 3.26Å; V1156-A1197 WeakPolarHBondContact O-CB 3.12Å; V1156-A1197 PolarHBondContact O-N 3.35Å; L1191-A1197 HydrophobicContact CB-CB 4.12Å; L1191-A1197 HydrophobicContact CD2-CB 4Å; L1191-A1197 CarbonylContact O-C 3.35Å; L1191-A1197 WeakPolarHBondContact O-CB 3.45Å; H1194-A1197 HydrophobicContact CB-CB 4.2Å; H1194-A1197 WeakPolarHBondContact ND1-CB 3.44Å; H1194-A1197 PolarHBondContact ND1-N 3.06Å; H1194-A1197 PolarHBondContact O-N 3.5Å; A1197-N1199 VanDerWaalsContact C-N 3.3Å; A1197-N1199 PolarHBondContact O-N 3.49Å; A1197-V1200 CarbonylContact O-C 3.09Å; A1197-V1200 WeakPolarHBondContact O-CA 3.5Å; A1197-V1200 VanDerWaalsContact O-CB 3.31Å; A1197-V1200 WeakPolarHBondContact O-CB 3.41Å; A1197-V1200 PolarHBondContact O-N 3.45Å; A1197-V1201 WeakPolarHBondContact O-CG2 3.39Å; A1197-V1201 PolarHBondContact O-N 3.34Å |
| 1198 | S | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.4 | -41.2 | 176.4 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | L1191 S1192 H1194 K1195 F1196 V1200 V1201 E1202 | L1191-S1198 PolarHBondContact O-N 2.67Å; S1192-S1198 VanDerWaalsContact O-CB 3.25Å; S1192-S1198 WeakPolarHBondContact O-CB 3.48Å; H1194-S1198 VanDerWaalsContact O-CB 3.31Å; H1194-S1198 WeakPolarHBondContact O-CB 3.27Å; H1194-S1198 PolarHBondContact O-N 2.95Å; H1194-S1198 PolarHBondContact O-OG 2.81Å; K1195-S1198 PolarHBondContact O-OG 3.13Å; F1196-S1198 PolarHBondContact O-N 2.85Å; F1196-S1198 VanDerWaalsContact O-N 3.1Å; S1198-V1200 VanDerWaalsContact C-N 3.29Å; S1198-V1200 PolarHBondContact O-N 2.97Å; S1198-V1201 PolarHBondContact O-N 3.05Å; S1198-E1202 PolarHBondContact O-N 3.01Å |
| 1199 | N | 98.7 | Very high | 98 | Very high | 58 Ų | 58 | 35.2 Ų | 35.2 | 31% | 0.31 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.9 | -36.3 | 174.6 | -48.9 | -92 | 0 | 0 | 0 | 111 | K1195 F1196 A1197 E1202 K1203 | K1195-N1199 PolarHBondContact O-ND2 2.9Å; F1196-N1199 WeakPolarHBondContact O-CB 3.29Å; F1196-N1199 PolarHBondContact O-N 3.13Å; F1196-N1199 VanDerWaalsContact O-N 3.09Å; F1196-N1199 PolarHBondContact O-ND2 3.35Å; A1197-N1199 VanDerWaalsContact C-N 3.3Å; A1197-N1199 PolarHBondContact O-N 3.49Å; N1199-E1202 WeakPolarHBondContact O-CB 3.37Å; N1199-E1202 PolarHBondContact O-N 3.41Å; N1199-K1203 WeakPolarHBondContact O-CG 3.32Å; N1199-K1203 PolarHBondContact O-N 3.26Å |
| 1200 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.5 | -41.1 | 176 | -164.9 | 0 | 0 | 0 | 0 | 110.8 | V1156 N1162 I1165 Q1166 L1169 I1184 A1197 S1198 E1202 K1203 A1204 | V1156-V1200 HydrophobicContact CG1-CB 4.32Å; V1156-V1200 HydrophobicContact CG1-CG1 4.48Å; V1156-V1200 HydrophobicContact CG1-CG2 4.34Å; V1156-V1200 HydrophobicContact CG2-CG1 4.27Å; N1162-V1200 HydrophobicContact CB-CG2 3.77Å; I1165-V1200 HydrophobicContact CB-CG1 4.23Å; I1165-V1200 HydrophobicContact CG2-CG1 3.55Å; Q1166-V1200 HydrophobicContact CG-CG2 4.21Å; L1169-V1200 HydrophobicContact CD1-CG1 3.65Å; I1184-V1200 HydrophobicContact CD1-CG1 4.13Å; A1197-V1200 CarbonylContact O-C 3.09Å; A1197-V1200 WeakPolarHBondContact O-CA 3.5Å; A1197-V1200 VanDerWaalsContact O-CB 3.31Å; A1197-V1200 WeakPolarHBondContact O-CB 3.41Å; A1197-V1200 PolarHBondContact O-N 3.45Å; S1198-V1200 VanDerWaalsContact C-N 3.29Å; S1198-V1200 PolarHBondContact O-N 2.97Å; V1200-E1202 VanDerWaalsContact C-N 3.34Å; V1200-K1203 PolarHBondContact O-N 3.07Å; V1200-A1204 VanDerWaalsContact O-CB 3.31Å; V1200-A1204 WeakPolarHBondContact O-CB 3.32Å; V1200-A1204 PolarHBondContact O-N 2.89Å |
| 1201 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -41 | 172.1 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | I1184 V1188 L1191 A1197 S1198 K1203 A1204 V1205 V1278 | I1184-V1201 HydrophobicContact CG2-CG1 4.44Å; I1184-V1201 HydrophobicContact CG2-CG2 4.05Å; V1188-V1201 HydrophobicContact CG1-CG1 4.11Å; L1191-V1201 HydrophobicContact CB-CG2 3.65Å; A1197-V1201 WeakPolarHBondContact O-CG2 3.39Å; A1197-V1201 PolarHBondContact O-N 3.34Å; S1198-V1201 PolarHBondContact O-N 3.05Å; V1201-K1203 PolarHBondContact O-N 3.26Å; V1201-A1204 PolarHBondContact O-N 3.49Å; V1201-V1205 HydrophobicContact CG1-CG2 4.15Å; V1201-V1205 WeakPolarHBondContact O-CB 3.39Å; V1201-V1205 VanDerWaalsContact O-CG2 3.32Å; V1201-V1205 WeakPolarHBondContact O-CG2 3.29Å; V1201-V1205 PolarHBondContact O-N 2.86Å; V1201-V1278 HydrophobicContact CB-CG1 4.39Å; V1201-V1278 HydrophobicContact CB-CG2 4.22Å; V1201-V1278 HydrophobicContact CG1-CG1 3.62Å; V1201-V1278 HydrophobicContact CG1-CG2 4.33Å |
| 1202 | E | 98.7 | Very high | 98 | Very high | 37 Ų | 37 | 42.5 Ų | 42.5 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 173.3 | -79.2 | -162.2 | -111.7 | 0 | 0 | 112.8 | S1198 N1199 V1200 A1206 Y1277 V1278 K1281 | S1198-E1202 PolarHBondContact O-N 3.01Å; N1199-E1202 WeakPolarHBondContact O-CB 3.37Å; N1199-E1202 PolarHBondContact O-N 3.41Å; V1200-E1202 VanDerWaalsContact C-N 3.34Å; E1202-A1206 VanDerWaalsContact O-CB 3.25Å; E1202-A1206 WeakPolarHBondContact O-CB 3.39Å; E1202-A1206 PolarHBondContact O-N 3.12Å; E1202-A1206 VanDerWaalsContact O-N 3.12Å; E1202-Y1277 VanDerWaalsContact OE1-CB 3.31Å; E1202-Y1277 WeakPolarHBondContact OE1-CB 3.43Å; E1202-V1278 HydrophobicContact CG-CG2 4.08Å; E1202-K1281 HydrophobicContact CB-CB 4.4Å; E1202-K1281 HydrophobicContact CB-CG 4.14Å; E1202-K1281 HydrophobicContact CG-CB 3.85Å; E1202-K1281 HydrophobicContact CG-CG 4.15Å; E1202-K1281 WeakPolarHBondContact OE2-CE 3.43Å; E1202-K1281 IonicContact OE2-NZ 2.79Å |
| 1203 | K | 98.5 | Very high | 97.9 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 24% | 0.243 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69 | -36.1 | 176.3 | -62.7 | -47.1 | -179.9 | 93.7 | 0 | 112.1 | Q1166 L1169 E1170 N1199 V1200 V1201 A1206 N1207 | Q1166-K1203 HydrophobicContact CB-CG 3.94Å; Q1166-K1203 HydrophobicContact CG-CB 4.19Å; Q1166-K1203 HydrophobicContact CG-CG 3.55Å; L1169-K1203 HydrophobicContact CB-CB 4.25Å; L1169-K1203 HydrophobicContact CD1-CB 4.13Å; E1170-K1203 HydrophobicContact CG-CD 4.36Å; E1170-K1203 WeakPolarHBondContact OE1-CD 3.46Å; E1170-K1203 IonicContact OE1-NZ 3.41Å; E1170-K1203 PolarHBondContact OE1-NZ 3.5Å; E1170-K1203 IonicContact OE2-NZ 3.62Å; E1170-K1203 PolarHBondContact OE2-NZ 2.69Å; N1199-K1203 WeakPolarHBondContact O-CG 3.32Å; N1199-K1203 PolarHBondContact O-N 3.26Å; V1200-K1203 PolarHBondContact O-N 3.07Å; V1201-K1203 PolarHBondContact O-N 3.26Å; K1203-A1206 PolarHBondContact O-N 2.56Å; K1203-N1207 WeakPolarHBondContact O-CB 3.46Å; K1203-N1207 PolarHBondContact O-N 2.93Å; K1203-N1207 PolarHBondContact O-ND2 3.2Å |
| 1204 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -52.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1169 V1181 I1184 V1200 V1201 A1206 N1207 A1208 L1216 | L1169-A1204 HydrophobicContact CD1-CB 3.96Å; L1169-A1204 HydrophobicContact CD2-CB 4.26Å; V1181-A1204 HydrophobicContact CG2-CB 4.33Å; I1184-A1204 HydrophobicContact CD1-CB 3.46Å; I1184-A1204 VanDerWaalsContact CD1-CB 3.46Å; V1200-A1204 VanDerWaalsContact O-CB 3.31Å; V1200-A1204 WeakPolarHBondContact O-CB 3.32Å; V1200-A1204 PolarHBondContact O-N 2.89Å; V1201-A1204 PolarHBondContact O-N 3.49Å; A1204-A1206 PolarHBondContact O-N 3.31Å; A1204-N1207 PolarHBondContact O-N 3.22Å; A1204-A1208 WeakPolarHBondContact O-CB 3.33Å; A1204-A1208 PolarHBondContact O-N 3.15Å; A1204-L1216 HydrophobicContact CB-CD1 4.42Å |
| 1205 | V | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -32.4 | 177.5 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | V1201 R1213 L1216 M1282 V1285 | V1201-V1205 HydrophobicContact CG1-CG2 4.15Å; V1201-V1205 WeakPolarHBondContact O-CB 3.39Å; V1201-V1205 VanDerWaalsContact O-CG2 3.32Å; V1201-V1205 WeakPolarHBondContact O-CG2 3.29Å; V1201-V1205 PolarHBondContact O-N 2.86Å; V1205-R1213 HydrophobicContact CG1-CG 4.49Å; V1205-R1213 WeakPolarHBondContact O-CD 3.44Å; V1205-L1216 HydrophobicContact CG2-CB 4.15Å; V1205-L1216 HydrophobicContact CG2-CD1 3.97Å; V1205-M1282 HydrophobicContact CG1-CG 3.8Å; V1205-M1282 HydrophobicContact CG2-CE 4.03Å; V1205-M1282 HydrophobicContact CG2-CG 4.47Å; V1205-V1285 HydrophobicContact CG1-CG2 3.67Å; V1205-V1285 WeakPolarHBondContact O-CG2 3.26Å |
| 1206 | A | 98 | Very high | 97.7 | Very high | 36 Ų | 36 | 38.9 Ų | 38.9 | 30% | 0.298 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -72.9 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1202 K1203 A1204 K1281 | E1202-A1206 VanDerWaalsContact O-CB 3.25Å; E1202-A1206 WeakPolarHBondContact O-CB 3.39Å; E1202-A1206 PolarHBondContact O-N 3.12Å; E1202-A1206 VanDerWaalsContact O-N 3.12Å; K1203-A1206 PolarHBondContact O-N 2.56Å; A1204-A1206 PolarHBondContact O-N 3.31Å; A1206-K1281 HydrophobicContact CB-CD 4.33Å |
| 1207 | N | 97.7 | Very high | 97.6 | Very high | 53 Ų | 53 | 36.4 Ų | 36.4 | 28% | 0.283 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -104.2 | -10.2 | -170 | -68.8 | -83.1 | 0 | 0 | 0 | 115 | L1169 K1203 A1204 | L1169-N1207 WeakPolarHBondContact O-CB 3.28Å; L1169-N1207 VanDerWaalsContact O-CG 3.22Å; K1203-N1207 WeakPolarHBondContact O-CB 3.46Å; K1203-N1207 PolarHBondContact O-N 2.93Å; K1203-N1207 PolarHBondContact O-ND2 3.2Å; A1204-N1207 PolarHBondContact O-N 3.22Å |
| 1208 | A | 97.3 | Very high | 97.4 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -60.9 | 157.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1181 A1204 E1212 R1213 | V1181-A1208 HydrophobicContact CG2-CB 4.03Å; A1204-A1208 WeakPolarHBondContact O-CB 3.33Å; A1204-A1208 PolarHBondContact O-N 3.15Å; A1208-E1212 HydrophobicContact CB-CB 3.75Å; A1208-R1213 HydrophobicContact CB-CB 4.36Å; A1208-R1213 PolarHBondContact O-NH1 3.27Å |
| 1209 | S | 96.8 | Very high | 97.2 | Very high | 52 Ų | 52 | 40.6 Ų | 40.6 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | trans | -61 | 167.5 | 169.1 | 72.4 | 0 | 0 | 0 | 0 | 111.4 | V1211 E1212 R1213 | S1209-V1211 VanDerWaalsContact C-N 3.3Å; S1209-V1211 PolarHBondContact O-N 3.35Å; S1209-E1212 WeakPolarHBondContact CA-OE2 3.24Å; S1209-E1212 WeakPolarHBondContact CB-OE2 3.4Å; S1209-E1212 PolarHBondContact N-OE2 3.22Å; S1209-E1212 PolarHBondContact O-N 2.9Å; S1209-E1212 VanDerWaalsContact OG-CD 3.25Å; S1209-E1212 WeakPolarHBondContact OG-CG 3.25Å; S1209-E1212 PolarHBondContact OG-N 3.25Å; S1209-E1212 PolarHBondContact OG-OE2 3.44Å; S1209-R1213 VanDerWaalsContact O-CB 3.29Å; S1209-R1213 WeakPolarHBondContact O-CB 3.31Å; S1209-R1213 PolarHBondContact O-N 2.92Å | ||
| 1210 | R | 96 | Very high | 96.9 | Very high | 155 Ų | 155 | 37.9 Ų | 37.9 | 59% | 0.585 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -52.7 | -45.7 | 178.3 | -174 | 178.8 | -152 | -135.9 | -4.5 | 113.1 | Q1214 E1287 | R1210-Q1214 WeakPolarHBondContact O-CB 3.19Å; R1210-Q1214 PolarHBondContact O-N 3.49Å; R1210-Q1214 VanDerWaalsContact O-N 3.1Å; R1210-E1287 IonicContact CZ-OE2 3.96Å; R1210-E1287 VanDerWaalsContact CZ-OE2 3.3Å; R1210-E1287 IonicContact NE-OE1 3.3Å; R1210-E1287 IonicContact NE-OE2 3.62Å; R1210-E1287 PolarHBondContact NE-OE2 2.98Å; R1210-E1287 IonicContact NH2-OE2 3.76Å; R1210-E1287 PolarHBondContact NH2-OE2 2.83Å |
| 1211 | V | 96.2 | Very high | 96.5 | Very high | 112 Ų | 112 | 39.3 Ų | 39.3 | 68% | 0.679 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -72 | -44.7 | -175.8 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | S1209 Q1214 S1215 | S1209-V1211 VanDerWaalsContact C-N 3.3Å; S1209-V1211 PolarHBondContact O-N 3.35Å; V1211-Q1214 WeakPolarHBondContact O-CB 3.32Å; V1211-Q1214 PolarHBondContact O-N 3.44Å; V1211-S1215 PolarHBondContact O-N 3.01Å |
| 1212 | E | 97.6 | Very high | 95.8 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 16% | 0.164 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -47.8 | 176.4 | -74.3 | 164.8 | 140.5 | 0 | 0 | 112.2 | S1178 V1181 A1208 S1209 Q1214 S1215 L1216 | S1178-E1212 VanDerWaalsContact CA-OE1 3.26Å; S1178-E1212 WeakPolarHBondContact CA-OE1 3.49Å; S1178-E1212 WeakPolarHBondContact CB-OE1 3.27Å; S1178-E1212 PolarHBondContact OG-OE1 2.79Å; V1181-E1212 HydrophobicContact CG1-CB 3.95Å; V1181-E1212 HydrophobicContact CG1-CG 3.96Å; A1208-E1212 HydrophobicContact CB-CB 3.75Å; S1209-E1212 WeakPolarHBondContact CA-OE2 3.24Å; S1209-E1212 WeakPolarHBondContact CB-OE2 3.4Å; S1209-E1212 PolarHBondContact N-OE2 3.22Å; S1209-E1212 PolarHBondContact O-N 2.9Å; S1209-E1212 VanDerWaalsContact OG-CD 3.25Å; S1209-E1212 WeakPolarHBondContact OG-CG 3.25Å; S1209-E1212 PolarHBondContact OG-N 3.25Å; S1209-E1212 PolarHBondContact OG-OE2 3.44Å; E1212-Q1214 PolarHBondContact O-N 2.89Å; E1212-S1215 WeakPolarHBondContact O-CB 3.25Å; E1212-S1215 PolarHBondContact O-N 3.23Å; E1212-L1216 WeakPolarHBondContact O-CG 3.37Å; E1212-L1216 PolarHBondContact O-N 3.2Å |
| 1213 | R | 97.7 | Very high | 93.8 | Very high | 34 Ų | 34 | 50 Ų | 50 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.7 | -40.3 | 174.5 | 169.2 | 170.7 | 51.6 | -93.5 | -1.6 | 111.2 | V1205 A1208 S1209 I1217 V1285 E1287 | V1205-R1213 HydrophobicContact CG1-CG 4.49Å; V1205-R1213 WeakPolarHBondContact O-CD 3.44Å; A1208-R1213 HydrophobicContact CB-CB 4.36Å; A1208-R1213 PolarHBondContact O-NH1 3.27Å; S1209-R1213 VanDerWaalsContact O-CB 3.29Å; S1209-R1213 WeakPolarHBondContact O-CB 3.31Å; S1209-R1213 PolarHBondContact O-N 2.92Å; R1213-I1217 HydrophobicContact CG-CD1 3.81Å; R1213-I1217 VanDerWaalsContact O-CD1 3.3Å; R1213-I1217 WeakPolarHBondContact O-CD1 3.16Å; R1213-I1217 VanDerWaalsContact O-CG1 3.24Å; R1213-I1217 WeakPolarHBondContact O-CG1 3.43Å; R1213-I1217 PolarHBondContact O-N 2.9Å; R1213-V1285 WeakPolarHBondContact CD-O 3.25Å; R1213-V1285 PolarHBondContact NE-O 3.2Å; R1213-E1287 IonicContact CZ-OE1 3.88Å; R1213-E1287 IonicContact NE-OE1 3.56Å; R1213-E1287 IonicContact NH2-OE1 2.92Å; R1213-E1287 PolarHBondContact NH2-OE1 3.36Å |
| 1214 | Q | 96 | Very high | 91.6 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 173.7 | -178.8 | 166.3 | 1.5 | 0 | 0 | 111.6 | R1210 V1211 E1212 L1216 I1217 N1218 I1290 | R1210-Q1214 WeakPolarHBondContact O-CB 3.19Å; R1210-Q1214 PolarHBondContact O-N 3.49Å; R1210-Q1214 VanDerWaalsContact O-N 3.1Å; V1211-Q1214 WeakPolarHBondContact O-CB 3.32Å; V1211-Q1214 PolarHBondContact O-N 3.44Å; E1212-Q1214 PolarHBondContact O-N 2.89Å; Q1214-L1216 PolarHBondContact O-N 2.89Å; Q1214-I1217 PolarHBondContact O-N 3.22Å; Q1214-N1218 WeakPolarHBondContact O-CB 3.28Å; Q1214-N1218 PolarHBondContact O-N 2.71Å; Q1214-N1218 PolarHBondContact O-OD1 3.5Å; Q1214-I1290 HydrophobicContact CB-CD1 3.65Å; Q1214-I1290 HydrophobicContact CG-CD1 3.53Å; Q1214-I1290 HydrophobicContact CG-CG1 4.02Å |
| 1215 | S | 96 | Very high | 88.8 | Confident | 44 Ų | 44 | 55 Ų | 55 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 177 | -167.8 | 0 | 0 | 0 | 0 | 112.6 | V1211 E1212 I1217 N1218 E1219 | V1211-S1215 PolarHBondContact O-N 3.01Å; E1212-S1215 WeakPolarHBondContact O-CB 3.25Å; E1212-S1215 PolarHBondContact O-N 3.23Å; S1215-I1217 VanDerWaalsContact C-N 3.27Å; S1215-I1217 PolarHBondContact O-N 3.41Å; S1215-N1218 PolarHBondContact O-N 2.85Å; S1215-E1219 PolarHBondContact O-N 2.91Å; S1215-E1219 VanDerWaalsContact O-N 3.14Å |
| 1216 | L | 97.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.3 | -24.4 | 179.8 | -66.1 | 176.4 | 0 | 0 | 0 | 113.5 | V1181 I1184 K1185 V1188 A1204 V1205 E1212 Q1214 M1282 | V1181-L1216 HydrophobicContact CG1-CD1 4.16Å; V1181-L1216 HydrophobicContact CG1-CD2 4.48Å; V1181-L1216 HydrophobicContact CG1-CG 4.44Å; I1184-L1216 HydrophobicContact CG2-CD2 4.07Å; K1185-L1216 HydrophobicContact CB-CD2 4.2Å; V1188-L1216 HydrophobicContact CG2-CB 4.38Å; V1188-L1216 HydrophobicContact CG2-CD2 3.66Å; A1204-L1216 HydrophobicContact CB-CD1 4.42Å; V1205-L1216 HydrophobicContact CG2-CB 4.15Å; V1205-L1216 HydrophobicContact CG2-CD1 3.97Å; E1212-L1216 WeakPolarHBondContact O-CG 3.37Å; E1212-L1216 PolarHBondContact O-N 3.2Å; Q1214-L1216 PolarHBondContact O-N 2.89Å; L1216-M1282 WeakPolarHBondContact O-CE 3.47Å |
| 1217 | I | 96.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -87 | -40.3 | 175.3 | -63.9 | 161.7 | 0 | 0 | 0 | 110.6 | R1213 Q1214 S1215 E1219 I1220 L1221 M1282 A1286 I1290 | R1213-I1217 HydrophobicContact CG-CD1 3.81Å; R1213-I1217 VanDerWaalsContact O-CD1 3.3Å; R1213-I1217 WeakPolarHBondContact O-CD1 3.16Å; R1213-I1217 VanDerWaalsContact O-CG1 3.24Å; R1213-I1217 WeakPolarHBondContact O-CG1 3.43Å; R1213-I1217 PolarHBondContact O-N 2.9Å; Q1214-I1217 PolarHBondContact O-N 3.22Å; S1215-I1217 VanDerWaalsContact C-N 3.27Å; S1215-I1217 PolarHBondContact O-N 3.41Å; I1217-E1219 VanDerWaalsContact C-N 3.28Å; I1217-E1219 PolarHBondContact O-N 3.33Å; I1217-I1220 WeakPolarHBondContact O-CG1 3.45Å; I1217-I1220 PolarHBondContact O-N 2.99Å; I1217-L1221 HydrophobicContact CG2-CD1 3.83Å; I1217-L1221 HydrophobicContact CG2-CG 4.32Å; I1217-L1221 WeakPolarHBondContact O-CG 3.29Å; I1217-L1221 PolarHBondContact O-N 3.4Å; I1217-M1282 HydrophobicContact CG1-CB 4.31Å; I1217-M1282 HydrophobicContact CG1-CE 4.31Å; I1217-M1282 HydrophobicContact CG1-CG 3.96Å; I1217-M1282 HydrophobicContact CG1-SD 4.42Å; I1217-A1286 HydrophobicContact CD1-CB 3.76Å; I1217-I1290 HydrophobicContact CB-CG2 4.07Å; I1217-I1290 HydrophobicContact CD1-CG2 4.23Å; I1217-I1290 HydrophobicContact CG2-CG2 3.56Å |
| 1218 | N | 94.1 | Very high | 80.2 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.6 | -41.2 | 176.5 | -78.1 | 16.5 | 0 | 0 | 0 | 111.8 | Q1214 S1215 I1220 L1221 E1222 | Q1214-N1218 WeakPolarHBondContact O-CB 3.28Å; Q1214-N1218 PolarHBondContact O-N 2.71Å; Q1214-N1218 PolarHBondContact O-OD1 3.5Å; S1215-N1218 PolarHBondContact O-N 2.85Å; N1218-I1220 PolarHBondContact O-N 3.37Å; N1218-L1221 PolarHBondContact O-N 2.79Å; N1218-E1222 WeakPolarHBondContact O-CG 3.41Å; N1218-E1222 PolarHBondContact O-N 3.45Å |
| 1219 | E | 94.1 | Very high | 77.3 | Confident | 40 Ų | 40 | 71.8 Ų | 71.8 | 19% | 0.187 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -52.6 | -27.4 | 177.9 | -172.6 | -176.3 | 140.2 | 0 | 0 | 114.5 | K1185 G1186 R1187 V1188 S1215 I1217 | K1185-E1219 WeakPolarHBondContact CA-OE2 3.43Å; G1186-E1219 WeakPolarHBondContact CA-OE1 3.35Å; G1186-E1219 PolarHBondContact N-OE1 3.4Å; G1186-E1219 PolarHBondContact N-OE2 3.38Å; R1187-E1219 PolarHBondContact N-OE1 3.23Å; V1188-E1219 VanDerWaalsContact CB-OE1 3.25Å; V1188-E1219 WeakPolarHBondContact CB-OE1 3.3Å; V1188-E1219 WeakPolarHBondContact CG2-OE1 3.5Å; V1188-E1219 WeakPolarHBondContact CG2-OE2 3.44Å; V1188-E1219 PolarHBondContact N-OE1 3.36Å; S1215-E1219 PolarHBondContact O-N 2.91Å; S1215-E1219 VanDerWaalsContact O-N 3.14Å; I1217-E1219 VanDerWaalsContact C-N 3.28Å; I1217-E1219 PolarHBondContact O-N 3.33Å |
| 1220 | I | 92.9 | Very high | 74.4 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -102.4 | -8 | 177.9 | 69.5 | 150 | 0 | 0 | 0 | 113.9 | V1188 I1217 N1218 V1265 L1266 M1269 I1279 M1282 | V1188-I1220 HydrophobicContact CB-CG2 4.25Å; V1188-I1220 HydrophobicContact CG1-CG2 3.67Å; I1217-I1220 WeakPolarHBondContact O-CG1 3.45Å; I1217-I1220 PolarHBondContact O-N 2.99Å; N1218-I1220 PolarHBondContact O-N 3.37Å; I1220-V1265 HydrophobicContact CB-CG1 4.47Å; I1220-V1265 HydrophobicContact CG2-CG1 4.39Å; I1220-L1266 HydrophobicContact CD1-CD1 4.05Å; I1220-M1269 HydrophobicContact CB-SD 4.21Å; I1220-M1269 HydrophobicContact CD1-CE 4.34Å; I1220-M1269 HydrophobicContact CG2-CE 4.09Å; I1220-M1269 HydrophobicContact CG2-SD 3.64Å; I1220-I1279 HydrophobicContact CD1-CD1 3.29Å; I1220-M1282 HydrophobicContact CD1-CE 3.97Å; I1220-M1282 HydrophobicContact CD1-SD 3.33Å; I1220-M1282 WeakPolarHBondContact CD1-SD 3.3Å; I1220-M1282 HydrophobicContact CG1-CE 4.21Å; I1220-M1282 HydrophobicContact CG1-SD 4.13Å |
| 1221 | L | 90.7 | Very high | 71.8 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 16% | 0.157 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -92.6 | -31.1 | 173.6 | -66.4 | 173.5 | 0 | 0 | 0 | 111.3 | I1217 N1218 E1223 E1293 L1294 Q1297 | I1217-L1221 HydrophobicContact CG2-CD1 3.83Å; I1217-L1221 HydrophobicContact CG2-CG 4.32Å; I1217-L1221 WeakPolarHBondContact O-CG 3.29Å; I1217-L1221 PolarHBondContact O-N 3.4Å; N1218-L1221 PolarHBondContact O-N 2.79Å; L1221-E1223 PolarHBondContact O-N 2.9Å; L1221-E1293 HydrophobicContact CD1-CG 4.22Å; L1221-L1294 HydrophobicContact CD2-CB 4.23Å; L1221-L1294 HydrophobicContact CD2-CD1 3.83Å; L1221-Q1297 HydrophobicContact CD2-CB 4.15Å; L1221-Q1297 HydrophobicContact CD2-CG 3.92Å |
| 1222 | E | 82.6 | Confident | 69.1 | Low | 123 Ų | 123 | 75.8 Ų | 75.8 | 58% | 0.575 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -64.1 | 117 | 173 | -74.2 | 169.6 | -148.8 | 0 | 0 | 109.8 | N1218 T1224 | N1218-E1222 WeakPolarHBondContact O-CG 3.41Å; N1218-E1222 PolarHBondContact O-N 3.45Å; E1222-T1224 PolarHBondContact O-N 2.96Å; E1222-T1224 PolarHBondContact O-OG1 2.83Å |
| 1223 | E | 57.7 | Low | 66.2 | Low | 140 Ų | 140 | 82 Ų | 82 | 65% | 0.654 | 42% | 0.423 | S | S | * | . | trans | -66 | 100.9 | 177.6 | -175.6 | 171.4 | -135.3 | 0 | 0 | 109.1 | L1221 V1225 | L1221-E1223 PolarHBondContact O-N 2.9Å; E1223-V1225 VanDerWaalsContact C-N 3.34Å; E1223-V1225 PolarHBondContact O-N 3.49Å | ||
| 1224 | T | 51.7 | Low | 63.2 | Low | 74 Ų | 74 | 87.7 Ų | 87.7 | 45% | 0.454 | 46% | 0.455 | S | S | . | . | trans | -66.5 | 91.9 | -174.7 | -40.2 | 0 | 0 | 0 | 0 | 110.4 | E1222 L1226 V1265 | E1222-T1224 PolarHBondContact O-N 2.96Å; E1222-T1224 PolarHBondContact O-OG1 2.83Å; T1224-L1226 HydrophobicContact CG2-CD2 3.95Å; T1224-L1226 HydrophobicContact CG2-CG 4.13Å; T1224-L1226 PolarHBondContact O-N 3.28Å; T1224-V1265 WeakPolarHBondContact OG1-CG2 3.1Å | ||
| 1225 | V | 40.6 | Very low | 60.1 | Low | 86 Ų | 86 | 87.2 Ų | 87.2 | 52% | 0.521 | 47% | 0.472 | S | S | . | . | trans | -69.8 | 84.6 | 167.3 | -166.3 | 0 | 0 | 0 | 0 | 107.7 | E1223 T1227 | E1223-V1225 VanDerWaalsContact C-N 3.34Å; E1223-V1225 PolarHBondContact O-N 3.49Å; V1225-T1227 HydrophobicContact CG1-CG2 3.65Å; V1225-T1227 PolarHBondContact O-N 3.38Å | ||
| 1226 | L | 42.3 | Very low | 57 | Low | 114 Ų | 114 | 93.6 Ų | 93.6 | 60% | 0.597 | 50% | 0.497 | S | S | * | . | trans | -63 | 80.7 | 160.6 | -66 | 179.6 | 0 | 0 | 0 | 107.6 | T1224 E1228 | T1224-L1226 HydrophobicContact CG2-CD2 3.95Å; T1224-L1226 HydrophobicContact CG2-CG 4.13Å; T1224-L1226 PolarHBondContact O-N 3.28Å; L1226-E1228 PolarHBondContact O-N 3.34Å | ||
| 1227 | T | 33.8 | Very low | 53.9 | Low | 63 Ų | 63 | 100.7 Ų | 100.7 | 39% | 0.387 | 54% | 0.535 | S | S | . | . | trans | -64.5 | 113.1 | 169.8 | 48.1 | 0 | 0 | 0 | 0 | 107.4 | V1225 N1229 Q1230 | V1225-T1227 HydrophobicContact CG1-CG2 3.65Å; V1225-T1227 PolarHBondContact O-N 3.38Å; T1227-N1229 PolarHBondContact O-N 3.29Å; T1227-Q1230 PolarHBondContact O-N 3.3Å; T1227-Q1230 VanDerWaalsContact O-N 3.07Å | ||
| 1228 | E | 36.7 | Very low | 51 | Low | 135 Ų | 135 | 110.1 Ų | 110.1 | 63% | 0.631 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -57.4 | -19 | -178.8 | -69.1 | 161.7 | 106.8 | 0 | 0 | 112 | L1226 Q1230 I1231 | L1226-E1228 PolarHBondContact O-N 3.34Å; E1228-Q1230 VanDerWaalsContact C-N 3.31Å; E1228-Q1230 PolarHBondContact O-N 3.49Å; E1228-I1231 PolarHBondContact O-N 2.98Å; E1228-I1231 VanDerWaalsContact O-N 3.14Å |
| 1229 | N | 36 | Very low | 48.1 | Very low | 136 Ų | 136 | 113.1 Ų | 113.1 | 73% | 0.727 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -62.9 | -20.7 | 175 | -61.6 | -13 | 0 | 0 | 0 | 115.4 | T1227 | T1227-N1229 PolarHBondContact O-N 3.29Š|
| 1230 | Q | 37.2 | Very low | 45.2 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 72% | 0.724 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -87.3 | -14.2 | 173.1 | -70.5 | -161.2 | 28.3 | 0 | 0 | 113.8 | T1227 E1228 V1232 | T1227-Q1230 PolarHBondContact O-N 3.3Å; T1227-Q1230 VanDerWaalsContact O-N 3.07Å; E1228-Q1230 VanDerWaalsContact C-N 3.31Å; E1228-Q1230 PolarHBondContact O-N 3.49Å; Q1230-V1232 VanDerWaalsContact C-N 3.25Å; Q1230-V1232 PolarHBondContact O-N 2.92Å |
| 1231 | I | 40.1 | Very low | 42.6 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 67% | 0.667 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -13.4 | -179.9 | -62.1 | 175.9 | 0 | 0 | 0 | 111.5 | E1228 | E1228-I1231 PolarHBondContact O-N 2.98Å; E1228-I1231 VanDerWaalsContact O-N 3.14Å |
| 1232 | V | 40.4 | Very low | 40.2 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -12.4 | -170.9 | -173.7 | 0 | 0 | 0 | 0 | 113.8 | Q1230 | Q1230-V1232 VanDerWaalsContact C-N 3.25Å; Q1230-V1232 PolarHBondContact O-N 2.92Å |
| 1233 | Q | 36.5 | Very low | 37.8 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -29.1 | -175.8 | -67.5 | -170.4 | -9.6 | 0 | 0 | 115.5 | G1235 | Q1233-G1235 PolarHBondContact O-N 3.2Š|
| 1234 | N | 34.9 | Very low | 37 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | trans | -95.8 | 59.9 | 173.4 | -78.3 | -10.9 | 0 | 0 | 0 | 111.6 | Q1236 | N1234-Q1236 VanDerWaalsContact C-N 3.33Å; N1234-Q1236 PolarHBondContact O-N 3.2Å; N1234-Q1236 VanDerWaalsContact O-N 3.14Å | ||
| 1235 | G | 29.7 | Very low | 36 | Very low | 69 Ų | 69 | 142.5 Ų | 142.5 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | trans | -83 | 37.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q1233 | Q1233-G1235 PolarHBondContact O-N 3.2Š| ||
| 1236 | Q | 32.2 | Very low | 35.9 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -135.3 | 101.8 | 176.2 | -69.3 | -168.6 | -8.2 | 0 | 0 | 113.2 | N1234 | N1234-Q1236 VanDerWaalsContact C-N 3.33Å; N1234-Q1236 PolarHBondContact O-N 3.2Å; N1234-Q1236 VanDerWaalsContact O-N 3.14Å |
| 1237 | N | 31.2 | Very low | 35.4 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 72 | 157.6 | 163.8 | -58.4 | -28.3 | 0 | 0 | 0 | 119.6 | S1239 | N1237-S1239 PolarHBondContact O-N 2.91Š|
| 1238 | E | 35.4 | Very low | 35.7 | Very low | 198 Ų | 198 | 148.2 Ų | 148.2 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 75.5 | -23.5 | 173.7 | -53.2 | -151.4 | 141.9 | 0 | 0 | 121.5 | R1240 | E1238-R1240 VanDerWaalsContact C-N 3.32Å; E1238-R1240 PolarHBondContact O-N 3.35Å |
| 1239 | S | 33.9 | Very low | 35.7 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -81.6 | 30.8 | -168.8 | 55.2 | 0 | 0 | 0 | 0 | 117.8 | N1237 | N1237-S1239 PolarHBondContact O-N 2.91Š| ||
| 1240 | R | 33.5 | Very low | 35.6 | Very low | 246 Ų | 246 | 148.1 Ų | 148.1 | 93% | 0.928 | 76% | 0.764 | S | S | * | * | trans | -102 | 2.7 | -165.6 | -132.4 | 178.4 | -166.4 | 176.5 | 5.3 | 118.3 | E1238 | E1238-R1240 VanDerWaalsContact C-N 3.32Å; E1238-R1240 PolarHBondContact O-N 3.35Å | ||
| 1241 | E | 37 | Very low | 35.5 | Very low | 169 Ų | 169 | 147.8 Ų | 147.8 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -101.6 | -1.8 | -172.8 | -154.8 | -179.2 | -145 | 0 | 0 | 114.8 | ||
| 1242 | F | 41.1 | Very low | 35.5 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 59% | 0.592 | 78% | 0.778 | S | S | * | * | trans | -108.5 | 79.7 | -178.4 | -162.7 | -100.7 | 0 | 0 | 0 | 112.1 | ||||
| 1243 | R | 32.5 | Very low | 35.3 | Very low | 243 Ų | 243 | 151.8 Ų | 151.8 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -131.8 | 117.6 | 163.8 | -83.2 | -171.9 | 169.2 | -178.2 | -5.2 | 110.3 | ||||
| 1244 | V | 40.2 | Very low | 35.6 | Very low | 109 Ų | 109 | 151.6 Ų | 151.6 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | trans | -74.4 | 120.2 | 164.3 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | D1246 | V1244-D1246 PolarHBondContact O-N 3.31Å; V1244-D1246 VanDerWaalsContact O-N 3.14Å | ||
| 1245 | D | 31.3 | Very low | 35.7 | Very low | 124 Ų | 124 | 151.8 Ų | 151.8 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | trans | -81.6 | 84.6 | 174.1 | -167.9 | -21.4 | 0 | 0 | 0 | 108.8 | S1247 | D1245-S1247 PolarHBondContact O-N 3.48Å; D1245-S1247 WeakPolarHBondContact OD1-CB 3.33Å; D1245-S1247 PolarHBondContact OD1-OG 2.64Å | ||
| 1246 | D | 37.3 | Very low | 36.1 | Very low | 136 Ų | 136 | 156.4 Ų | 156.4 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -83.2 | 55.7 | -179.3 | -157.8 | 12.5 | 0 | 0 | 0 | 111.2 | V1244 L1248 | V1244-D1246 PolarHBondContact O-N 3.31Å; V1244-D1246 VanDerWaalsContact O-N 3.14Å; D1246-L1248 VanDerWaalsContact C-N 3.28Å; D1246-L1248 PolarHBondContact O-N 2.85Å | ||
| 1247 | S | 32.1 | Very low | 36.3 | Very low | 95 Ų | 95 | 156.3 Ų | 156.3 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | -83.9 | 62.5 | -177.4 | 36.9 | 0 | 0 | 0 | 0 | 112.9 | D1245 | D1245-S1247 PolarHBondContact O-N 3.48Å; D1245-S1247 WeakPolarHBondContact OD1-CB 3.33Å; D1245-S1247 PolarHBondContact OD1-OG 2.64Å | ||
| 1248 | L | 40.4 | Very low | 36.7 | Very low | 151 Ų | 151 | 156.4 Ų | 156.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -93 | 135.5 | 161.8 | -69.2 | 176.6 | 0 | 0 | 0 | 110.6 | D1246 E1250 | D1246-L1248 VanDerWaalsContact C-N 3.28Å; D1246-L1248 PolarHBondContact O-N 2.85Å; L1248-E1250 PolarHBondContact O-N 3.15Å | ||
| 1249 | S | 37.4 | Very low | 36.8 | Very low | 114 Ų | 114 | 151.7 Ų | 151.7 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -74.5 | 120 | -171.6 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | N1251 | S1249-N1251 PolarHBondContact O-N 3.02Š| ||
| 1250 | E | 33.5 | Very low | 37 | Very low | 155 Ų | 155 | 156.9 Ų | 156.9 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | trans | -63.1 | 115.2 | 162.6 | -62.5 | -176.8 | 139.4 | 0 | 0 | 109.6 | L1248 R1260 | L1248-E1250 PolarHBondContact O-N 3.15Å; E1250-R1260 IonicContact OE1-NH2 3.92Å | ||
| 1251 | N | 34.8 | Very low | 37.5 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -178.8 | 102.3 | 157.7 | -97.5 | -79.8 | 0 | 0 | 0 | 106.8 | S1249 | S1249-N1251 PolarHBondContact O-N 3.02Š| ||
| 1252 | D | 40.8 | Very low | 38.2 | Very low | 167 Ų | 167 | 150 Ų | 150 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | 172.2 | 105.4 | 142.7 | -87.4 | -17.4 | 0 | 0 | 0 | 106.5 | ||||
| 1253 | D | 36.8 | Very low | 39.1 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -78.6 | 116.6 | 170.8 | -58.3 | -76.5 | 0 | 0 | 0 | 109 | ||||
| 1254 | D | 42.1 | Very low | 41.4 | Very low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | trans | -159.8 | 146.4 | 158.9 | -97.7 | -33.7 | 0 | 0 | 0 | 108.6 | ||||
| 1255 | D | 35.8 | Very low | 43.9 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 83% | 0.834 | 71% | 0.708 | S | S | * | * | trans | -68.1 | 132.3 | -161.8 | -52.8 | -80.5 | 0 | 0 | 0 | 116.3 | ||||
| 1256 | D | 39.2 | Very low | 46.8 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 88% | 0.882 | 68% | 0.677 | S | S | * | * | trans | -174.1 | 139.6 | 139.8 | -105.4 | -28 | 0 | 0 | 0 | 111.9 | E1258 | D1256-E1258 PolarHBondContact O-N 3.47Š| ||
| 1257 | D | 35.2 | Very low | 49.3 | Very low | 177 Ų | 177 | 121.3 Ų | 121.3 | 95% | 0.947 | 64% | 0.644 | S | S | * | * | trans | -77.8 | 97.3 | 179.3 | -83.5 | -64 | 0 | 0 | 0 | 112.6 | ||||
| 1258 | E | 40.1 | Very low | 52.2 | Low | 153 Ų | 153 | 119.1 Ų | 119.1 | 72% | 0.715 | 62% | 0.624 | S | S | * | * | trans | -130 | 120.9 | 167.8 | -120 | -80.7 | 133.5 | 0 | 0 | 110.8 | D1256 R1260 | D1256-E1258 PolarHBondContact O-N 3.47Å; E1258-R1260 PolarHBondContact O-N 3.06Å | ||
| 1259 | P | 38.6 | Very low | 54.8 | Low | 98 Ų | 98 | 112 Ų | 112 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | trans | -70.7 | 129.8 | -176.9 | 28.8 | -33.8 | 0 | 0 | 0 | 110.4 | T1261 | P1259-T1261 VanDerWaalsContact C-N 3.34Å; P1259-T1261 WeakPolarHBondContact O-CG2 3.27Å; P1259-T1261 PolarHBondContact O-N 2.9Å | ||
| 1260 | R | 37.5 | Very low | 57.6 | Low | 225 Ų | 225 | 106.5 Ų | 106.5 | 85% | 0.849 | 55% | 0.549 | S | S | * | . | trans | -54 | 89 | 179.3 | -69 | -175.6 | 177.8 | -165.6 | -2.6 | 111.7 | E1250 E1258 R1262 | E1250-R1260 IonicContact OE1-NH2 3.92Å; E1258-R1260 PolarHBondContact O-N 3.06Å; R1260-R1262 PolarHBondContact O-N 3.32Å | ||
| 1261 | T | 44.2 | Very low | 60.4 | Low | 106 Ų | 106 | 101.7 Ų | 101.7 | 65% | 0.65 | 53% | 0.525 | S | S | * | . | trans | -63.4 | 121.2 | -175.1 | 54.5 | 0 | 0 | 0 | 0 | 110 | P1259 S1263 | P1259-T1261 VanDerWaalsContact C-N 3.34Å; P1259-T1261 WeakPolarHBondContact O-CG2 3.27Å; P1259-T1261 PolarHBondContact O-N 2.9Å; T1261-S1263 PolarHBondContact O-N 2.95Å; T1261-S1263 VanDerWaalsContact O-N 3.13Å | ||
| 1262 | R | 50.9 | Low | 63.2 | Low | 163 Ų | 163 | 96.1 Ų | 96.1 | 62% | 0.615 | 50% | 0.495 | S | S | * | . | trans | -53.7 | 121.2 | 168.2 | -78.5 | 178.8 | 166.2 | 167.5 | -6.1 | 107.8 | R1260 S1264 | R1260-R1262 PolarHBondContact O-N 3.32Å; R1262-S1264 PolarHBondContact O-N 3.08Å | ||
| 1263 | S | 60.9 | Low | 65.9 | Low | 75 Ų | 75 | 92.6 Ų | 92.6 | 52% | 0.524 | 47% | 0.473 | S | S | . | . | trans | -69.1 | 95.1 | -177.8 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | T1261 | T1261-S1263 PolarHBondContact O-N 2.95Å; T1261-S1263 VanDerWaalsContact O-N 3.13Å | ||
| 1264 | S | 81.5 | Confident | 68.7 | Low | 31 Ų | 31 | 86.8 Ų | 86.8 | 22% | 0.217 | 44% | 0.441 | C | S | . | . | trans | -43.2 | 145 | 176.1 | 164.9 | 0 | 0 | 0 | 0 | 112.1 | R1262 L1266 V1267 M1268 | R1262-S1264 PolarHBondContact O-N 3.08Å; S1264-L1266 PolarHBondContact O-N 3.3Å; S1264-L1266 PolarHBondContact OG-N 3.37Å; S1264-V1267 WeakPolarHBondContact O-CA 3.37Å; S1264-V1267 WeakPolarHBondContact O-CB 3.49Å; S1264-V1267 PolarHBondContact O-N 3.47Å; S1264-M1268 PolarHBondContact O-N 3.34Å | ||
| 1265 | V | 91.1 | Very high | 71.4 | Confident | 30 Ų | 30 | 79 Ų | 79 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -51.6 | -41.4 | 177.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | A1189 I1220 T1224 V1267 M1268 M1269 | A1189-V1265 HydrophobicContact CB-CG1 3.51Å; I1220-V1265 HydrophobicContact CB-CG1 4.47Å; I1220-V1265 HydrophobicContact CG2-CG1 4.39Å; T1224-V1265 WeakPolarHBondContact OG1-CG2 3.1Å; V1265-V1267 PolarHBondContact O-N 3.34Å; V1265-M1268 WeakPolarHBondContact O-CB 3.43Å; V1265-M1268 PolarHBondContact O-N 3.49Å; V1265-M1269 HydrophobicContact CG1-CG 4.47Å; V1265-M1269 HydrophobicContact CG1-SD 3.89Å; V1265-M1269 WeakPolarHBondContact O-CB 3.13Å; V1265-M1269 WeakPolarHBondContact O-CG 3.41Å; V1265-M1269 PolarHBondContact O-N 3.18Å |
| 1266 | L | 92.6 | Very high | 74.3 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.7 | -47.1 | 172.5 | -179.6 | 61.9 | 0 | 0 | 0 | 111.9 | I1220 S1264 M1268 M1269 M1270 I1279 L1294 Q1297 I1298 | I1220-L1266 HydrophobicContact CD1-CD1 4.05Å; S1264-L1266 PolarHBondContact O-N 3.3Å; S1264-L1266 PolarHBondContact OG-N 3.37Å; L1266-M1268 PolarHBondContact O-N 3.01Å; L1266-M1269 PolarHBondContact O-N 3.2Å; L1266-M1270 HydrophobicContact CD1-CG 4.26Å; L1266-M1270 HydrophobicContact CD1-SD 4.36Å; L1266-M1270 HydrophobicContact CG-CE 3.98Å; L1266-M1270 HydrophobicContact CG-SD 4.37Å; L1266-M1270 WeakPolarHBondContact O-CB 3.2Å; L1266-M1270 WeakPolarHBondContact O-CG 3.15Å; L1266-M1270 PolarHBondContact O-N 3.13Å; L1266-I1279 HydrophobicContact CD1-CD1 3.69Å; L1266-I1279 HydrophobicContact CD1-CG1 4.44Å; L1266-I1279 HydrophobicContact CD1-CG2 4.47Å; L1266-L1294 HydrophobicContact CD1-CD1 3.82Å; L1266-L1294 HydrophobicContact CD2-CD1 4.49Å; L1266-Q1297 HydrophobicContact CD2-CB 3.52Å; L1266-I1298 HydrophobicContact CD1-CG1 4.22Å; L1266-I1298 HydrophobicContact CD2-CG1 4.05Å; L1266-I1298 HydrophobicContact CG-CG1 4.45Å |
| 1267 | V | 90.8 | Very high | 77.1 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 179.2 | 178.3 | 0 | 0 | 0 | 0 | 112 | S1264 V1265 M1270 K1271 H1301 | S1264-V1267 WeakPolarHBondContact O-CA 3.37Å; S1264-V1267 WeakPolarHBondContact O-CB 3.49Å; S1264-V1267 PolarHBondContact O-N 3.47Å; V1265-V1267 PolarHBondContact O-N 3.34Å; V1267-M1270 HydrophobicContact CG2-CE 4.28Å; V1267-K1271 HydrophobicContact CG1-CD 4.14Å; V1267-K1271 WeakPolarHBondContact O-CD 3.41Å; V1267-K1271 VanDerWaalsContact O-CG 3.23Å; V1267-K1271 WeakPolarHBondContact O-CG 3.28Å; V1267-K1271 PolarHBondContact O-N 3.32Å; V1267-H1301 HydrophobicContact CG2-CB 4.46Å; V1267-H1301 WeakPolarHBondContact CG2-CD2 3.49Å; V1267-H1301 VanDerWaalsContact CG2-NE2 3.33Å; V1267-H1301 WeakPolarHBondContact CG2-NE2 3.45Å |
| 1268 | M | 92.1 | Very high | 80.1 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.3 | -51.9 | 172.5 | -179.9 | -172.7 | 70.7 | 0 | 0 | 110.6 | A1189 V1193 S1264 V1265 L1266 M1270 K1271 D1272 | A1189-M1268 HydrophobicContact CB-CE 4.3Å; V1193-M1268 HydrophobicContact CG1-CE 4.41Å; S1264-M1268 PolarHBondContact O-N 3.34Å; V1265-M1268 WeakPolarHBondContact O-CB 3.43Å; V1265-M1268 PolarHBondContact O-N 3.49Å; L1266-M1268 PolarHBondContact O-N 3.01Å; M1268-M1270 VanDerWaalsContact C-N 3.33Å; M1268-M1270 PolarHBondContact O-N 2.78Å; M1268-K1271 PolarHBondContact O-N 3.33Å; M1268-K1271 VanDerWaalsContact O-N 3.09Å; M1268-D1272 PolarHBondContact O-N 3.21Å; M1268-D1272 VanDerWaalsContact O-N 3.15Å |
| 1269 | M | 95.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -36.8 | -178.3 | -72.1 | 176.1 | 62.9 | 0 | 0 | 112.9 | V1188 A1189 S1192 I1220 V1265 L1266 K1271 A1275 N1276 V1278 I1279 | V1188-M1269 HydrophobicContact CG1-CE 4.41Å; A1189-M1269 HydrophobicContact CB-SD 4.11Å; S1192-M1269 WeakPolarHBondContact OG-CE 3.3Å; I1220-M1269 HydrophobicContact CB-SD 4.21Å; I1220-M1269 HydrophobicContact CD1-CE 4.34Å; I1220-M1269 HydrophobicContact CG2-CE 4.09Å; I1220-M1269 HydrophobicContact CG2-SD 3.64Å; V1265-M1269 HydrophobicContact CG1-CG 4.47Å; V1265-M1269 HydrophobicContact CG1-SD 3.89Å; V1265-M1269 WeakPolarHBondContact O-CB 3.13Å; V1265-M1269 WeakPolarHBondContact O-CG 3.41Å; V1265-M1269 PolarHBondContact O-N 3.18Å; L1266-M1269 PolarHBondContact O-N 3.2Å; M1269-K1271 VanDerWaalsContact C-N 3.27Å; M1269-K1271 PolarHBondContact O-N 2.87Å; M1269-A1275 HydrophobicContact CB-CB 3.73Å; M1269-A1275 HydrophobicContact CE-CB 4.36Å; M1269-A1275 HydrophobicContact CG-CB 3.87Å; M1269-A1275 CarbonylContact O-C 3.57Å; M1269-A1275 VanDerWaalsContact O-C 3.25Å; M1269-A1275 WeakPolarHBondContact O-CB 3.38Å; M1269-N1276 PolarHBondContact O-N 3.38Å; M1269-V1278 HydrophobicContact CE-CB 4.45Å; M1269-V1278 HydrophobicContact CE-CG1 4.21Å; M1269-I1279 HydrophobicContact CB-CD1 3.99Å; M1269-I1279 HydrophobicContact CB-CG1 3.95Å; M1269-I1279 HydrophobicContact CE-CD1 3.74Å; M1269-I1279 HydrophobicContact CE-CG1 4.39Å; M1269-I1279 HydrophobicContact SD-CD1 4.43Å |
| 1270 | M | 95.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.3 | -20.1 | 176.1 | -69.6 | -167.7 | -64.4 | 0 | 0 | 114.5 | L1266 V1267 M1268 I1279 I1298 H1301 L1305 I1314 | L1266-M1270 HydrophobicContact CD1-CG 4.26Å; L1266-M1270 HydrophobicContact CD1-SD 4.36Å; L1266-M1270 HydrophobicContact CG-CE 3.98Å; L1266-M1270 HydrophobicContact CG-SD 4.37Å; L1266-M1270 WeakPolarHBondContact O-CB 3.2Å; L1266-M1270 WeakPolarHBondContact O-CG 3.15Å; L1266-M1270 PolarHBondContact O-N 3.13Å; V1267-M1270 HydrophobicContact CG2-CE 4.28Å; M1268-M1270 VanDerWaalsContact C-N 3.33Å; M1268-M1270 PolarHBondContact O-N 2.78Å; M1270-I1279 HydrophobicContact CG-CB 4.44Å; M1270-I1279 HydrophobicContact CG-CG1 4.04Å; M1270-I1279 HydrophobicContact CG-CG2 4.02Å; M1270-I1298 HydrophobicContact CE-CG1 4.43Å; M1270-I1298 HydrophobicContact SD-CB 4.22Å; M1270-I1298 HydrophobicContact SD-CD1 4.11Å; M1270-I1298 HydrophobicContact SD-CG1 3.63Å; M1270-I1298 HydrophobicContact SD-CG2 3.88Å; M1270-H1301 HydrophobicContact CE-CB 3.98Å; M1270-L1305 HydrophobicContact CB-CD2 3.61Å; M1270-L1305 HydrophobicContact CE-CD1 3.95Å; M1270-L1305 HydrophobicContact CE-CD2 4.29Å; M1270-L1305 HydrophobicContact CE-CG 4.49Å; M1270-L1305 HydrophobicContact SD-CD1 3.65Å; M1270-L1305 HydrophobicContact SD-CD2 4.37Å; M1270-I1314 HydrophobicContact CB-CD1 3.69Å; M1270-I1314 HydrophobicContact CG-CD1 3.57Å; M1270-I1314 HydrophobicContact SD-CD1 4.25Å; M1270-I1314 HydrophobicContact SD-CG2 4.28Å |
| 1271 | K | 93 | Very high | 88.4 | Confident | 53 Ų | 53 | 42.1 Ų | 42.1 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -92.1 | -22.9 | 177.9 | -71.5 | 170.4 | 178.4 | 179 | 0 | 113.1 | V1267 M1268 M1269 Y1308 Y1310 | V1267-K1271 HydrophobicContact CG1-CD 4.14Å; V1267-K1271 WeakPolarHBondContact O-CD 3.41Å; V1267-K1271 VanDerWaalsContact O-CG 3.23Å; V1267-K1271 WeakPolarHBondContact O-CG 3.28Å; V1267-K1271 PolarHBondContact O-N 3.32Å; M1268-K1271 PolarHBondContact O-N 3.33Å; M1268-K1271 VanDerWaalsContact O-N 3.09Å; M1269-K1271 VanDerWaalsContact C-N 3.27Å; M1269-K1271 PolarHBondContact O-N 2.87Å; K1271-Y1308 HydrophobicContact CB-CD1 4.03Å; K1271-Y1308 HydrophobicContact CB-CE1 4.05Å; K1271-Y1308 HydrophobicContact CD-CD1 4.49Å; K1271-Y1308 HydrophobicContact CD-CE1 3.86Å; K1271-Y1308 HydrophobicContact CD-CE2 3.99Å; K1271-Y1308 WeakPolarHBondContact CE-OH 3.43Å; K1271-Y1308 HydrophobicContact CG-CD1 3.9Å; K1271-Y1308 HydrophobicContact CG-CD2 4.07Å; K1271-Y1308 HydrophobicContact CG-CE1 3.79Å; K1271-Y1308 HydrophobicContact CG-CE2 3.96Å; K1271-Y1308 HydrophobicContact CG-CG 4.05Å; K1271-Y1308 PolarHBondContact NZ-OH 3.08Å; K1271-Y1310 WeakPolarHBondContact O-CD2 3.44Å |
| 1272 | D | 94.8 | Very high | 91 | Very high | 32 Ų | 32 | 37.1 Ų | 37.1 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -75.7 | 153.8 | -177.1 | 173.4 | 57.1 | 0 | 0 | 0 | 113.7 | V1193 M1268 F1274 A1275 N1276 | V1193-D1272 WeakPolarHBondContact CA-OD2 3.43Å; V1193-D1272 HydrophobicContact CG1-CB 4.17Å; M1268-D1272 PolarHBondContact O-N 3.21Å; M1268-D1272 VanDerWaalsContact O-N 3.15Å; D1272-F1274 VanDerWaalsContact C-N 3.34Å; D1272-F1274 PolarHBondContact O-N 2.95Å; D1272-F1274 WeakPolarHBondContact OD2-CA 3.45Å; D1272-F1274 PolarHBondContact OD2-N 2.96Å; D1272-A1275 HydrophobicContact CB-CB 4.13Å; D1272-A1275 PolarHBondContact OD2-N 3.48Å; D1272-N1276 WeakPolarHBondContact O-CB 3.37Å; D1272-N1276 PolarHBondContact O-ND2 3.2Å |
| 1273 | Q | 95.6 | Very high | 93.1 | Very high | 92 Ų | 92 | 29.3 Ų | 29.3 | 43% | 0.43 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -22.3 | -177.8 | 75.1 | -166.4 | -66.5 | 0 | 0 | 114.5 | N1276 Y1277 Y1310 | Q1273-N1276 PolarHBondContact O-ND2 3.11Å; Q1273-Y1277 WeakPolarHBondContact O-CE2 3.44Å; Q1273-Y1310 HydrophobicContact CB-CD2 4.39Å; Q1273-Y1310 HydrophobicContact CB-CE1 3.87Å; Q1273-Y1310 HydrophobicContact CB-CE2 3.72Å; Q1273-Y1310 VanDerWaalsContact CB-CZ 3.42Å; Q1273-Y1310 WeakPolarHBondContact CB-OH 3.37Å |
| 1274 | F | 97.3 | Very high | 94.7 | Very high | 45 Ų | 45 | 28.4 Ų | 28.4 | 20% | 0.197 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -47.9 | 179.2 | -54 | -61 | 0 | 0 | 0 | 111.8 | S1192 V1193 K1195 D1272 N1276 Y1277 | S1192-F1274 CarbonylContact O-C 3.58Å; S1192-F1274 WeakPolarHBondContact O-CB 3.48Å; V1193-F1274 WeakPolarHBondContact O-CD2 3.49Å; K1195-F1274 HydrophobicContact CB-CE1 3.98Å; K1195-F1274 HydrophobicContact CB-CE2 3.98Å; K1195-F1274 HydrophobicContact CB-CZ 3.68Å; K1195-F1274 HydrophobicContact CD-CZ 4.49Å; K1195-F1274 HydrophobicContact CG-CE1 3.92Å; K1195-F1274 HydrophobicContact CG-CZ 3.94Å; D1272-F1274 VanDerWaalsContact C-N 3.34Å; D1272-F1274 PolarHBondContact O-N 2.95Å; D1272-F1274 WeakPolarHBondContact OD2-CA 3.45Å; D1272-F1274 PolarHBondContact OD2-N 2.96Å; F1274-N1276 PolarHBondContact O-N 3.39Å; F1274-N1276 VanDerWaalsContact O-N 3.15Å; F1274-Y1277 WeakPolarHBondContact O-CB 3.17Å; F1274-Y1277 WeakPolarHBondContact O-CD2 3.46Å; F1274-Y1277 PolarHBondContact O-N 3.48Å |
| 1275 | A | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.3 | -21.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1192 V1193 M1269 D1272 Y1277 V1278 I1279 | S1192-A1275 VanDerWaalsContact O-CA 3.31Å; S1192-A1275 WeakPolarHBondContact O-CA 3.4Å; S1192-A1275 WeakPolarHBondContact O-CB 3.5Å; S1192-A1275 PolarHBondContact O-N 2.85Å; S1192-A1275 VanDerWaalsContact O-N 3.12Å; V1193-A1275 HydrophobicContact CG1-CB 3.98Å; M1269-A1275 HydrophobicContact CB-CB 3.73Å; M1269-A1275 HydrophobicContact CE-CB 4.36Å; M1269-A1275 HydrophobicContact CG-CB 3.87Å; M1269-A1275 CarbonylContact O-C 3.57Å; M1269-A1275 VanDerWaalsContact O-C 3.25Å; M1269-A1275 WeakPolarHBondContact O-CB 3.38Å; D1272-A1275 HydrophobicContact CB-CB 4.13Å; D1272-A1275 PolarHBondContact OD2-N 3.48Å; A1275-Y1277 PolarHBondContact O-N 3.32Å; A1275-V1278 WeakPolarHBondContact O-CB 3.43Å; A1275-V1278 PolarHBondContact O-N 2.83Å; A1275-V1278 VanDerWaalsContact O-N 3.07Å; A1275-I1279 PolarHBondContact O-N 3.27Å |
| 1276 | N | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.5 | -27.5 | 172.3 | 78.4 | 90.4 | 0 | 0 | 0 | 112.6 | M1269 D1272 Q1273 F1274 Q1280 I1314 | M1269-N1276 PolarHBondContact O-N 3.38Å; D1272-N1276 WeakPolarHBondContact O-CB 3.37Å; D1272-N1276 PolarHBondContact O-ND2 3.2Å; Q1273-N1276 PolarHBondContact O-ND2 3.11Å; F1274-N1276 PolarHBondContact O-N 3.39Å; F1274-N1276 VanDerWaalsContact O-N 3.15Å; N1276-Q1280 WeakPolarHBondContact O-CB 3.48Å; N1276-Q1280 VanDerWaalsContact O-CG 3.25Å; N1276-Q1280 WeakPolarHBondContact O-CG 3.2Å; N1276-Q1280 PolarHBondContact O-N 3.3Å; N1276-Q1280 VanDerWaalsContact O-N 3.09Å; N1276-Q1280 PolarHBondContact O-NE2 3.23Å; N1276-Q1280 PolarHBondContact OD1-NE2 3.29Å; N1276-I1314 HydrophobicContact CB-CD1 4.11Å |
| 1277 | Y | 97.8 | Very high | 95.6 | Very high | 110 Ų | 110 | 29.9 Ų | 29.9 | 43% | 0.431 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -74.5 | -37.9 | 174.4 | -62.9 | -74.3 | 0 | 0 | 0 | 111.1 | E1202 Q1273 F1274 A1275 Q1280 K1281 | E1202-Y1277 VanDerWaalsContact OE1-CB 3.31Å; E1202-Y1277 WeakPolarHBondContact OE1-CB 3.43Å; Q1273-Y1277 WeakPolarHBondContact O-CE2 3.44Å; F1274-Y1277 WeakPolarHBondContact O-CB 3.17Å; F1274-Y1277 WeakPolarHBondContact O-CD2 3.46Å; F1274-Y1277 PolarHBondContact O-N 3.48Å; A1275-Y1277 PolarHBondContact O-N 3.32Å; Y1277-Q1280 CarbonylContact O-C 3.48Å; Y1277-Q1280 WeakPolarHBondContact O-CB 3.37Å; Y1277-Q1280 PolarHBondContact O-N 3.05Å; Y1277-K1281 PolarHBondContact O-N 3.47Å |
| 1278 | V | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 172 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | V1201 E1202 M1269 A1275 Q1280 K1281 M1282 | V1201-V1278 HydrophobicContact CB-CG1 4.39Å; V1201-V1278 HydrophobicContact CB-CG2 4.22Å; V1201-V1278 HydrophobicContact CG1-CG1 3.62Å; V1201-V1278 HydrophobicContact CG1-CG2 4.33Å; E1202-V1278 HydrophobicContact CG-CG2 4.08Å; M1269-V1278 HydrophobicContact CE-CB 4.45Å; M1269-V1278 HydrophobicContact CE-CG1 4.21Å; A1275-V1278 WeakPolarHBondContact O-CB 3.43Å; A1275-V1278 PolarHBondContact O-N 2.83Å; A1275-V1278 VanDerWaalsContact O-N 3.07Å; V1278-Q1280 VanDerWaalsContact C-N 3.3Å; V1278-Q1280 PolarHBondContact O-N 3Å; V1278-K1281 WeakPolarHBondContact O-CB 3.36Å; V1278-K1281 PolarHBondContact O-N 3.43Å; V1278-K1281 VanDerWaalsContact O-N 3.08Å; V1278-M1282 HydrophobicContact CG1-CE 3.95Å; V1278-M1282 HydrophobicContact CG1-CG 4.47Å; V1278-M1282 HydrophobicContact CG1-SD 4.07Å; V1278-M1282 WeakPolarHBondContact O-CG 3.48Å; V1278-M1282 PolarHBondContact O-N 2.83Å |
| 1279 | I | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.7 | -40.3 | 174.6 | -59.2 | -56.3 | 0 | 0 | 0 | 111.4 | I1220 L1266 M1269 M1270 A1275 M1282 L1283 I1298 I1314 | I1220-I1279 HydrophobicContact CD1-CD1 3.29Å; L1266-I1279 HydrophobicContact CD1-CD1 3.69Å; L1266-I1279 HydrophobicContact CD1-CG1 4.44Å; L1266-I1279 HydrophobicContact CD1-CG2 4.47Å; M1269-I1279 HydrophobicContact CB-CD1 3.99Å; M1269-I1279 HydrophobicContact CB-CG1 3.95Å; M1269-I1279 HydrophobicContact CE-CD1 3.74Å; M1269-I1279 HydrophobicContact CE-CG1 4.39Å; M1269-I1279 HydrophobicContact SD-CD1 4.43Å; M1270-I1279 HydrophobicContact CG-CB 4.44Å; M1270-I1279 HydrophobicContact CG-CG1 4.04Å; M1270-I1279 HydrophobicContact CG-CG2 4.02Å; A1275-I1279 PolarHBondContact O-N 3.27Å; I1279-M1282 HydrophobicContact CD1-SD 4.15Å; I1279-M1282 PolarHBondContact O-N 2.8Å; I1279-L1283 PolarHBondContact O-N 2.61Å; I1279-I1298 HydrophobicContact CG2-CD1 3.85Å; I1279-I1314 HydrophobicContact CB-CD1 4.17Å; I1279-I1314 HydrophobicContact CG2-CD1 4.05Å |
| 1280 | Q | 97.1 | Very high | 95.5 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 15% | 0.145 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 173.8 | -75.9 | 173.3 | 88.4 | 0 | 0 | 112.1 | N1276 Y1277 V1278 L1283 D1284 I1314 K1317 | N1276-Q1280 WeakPolarHBondContact O-CB 3.48Å; N1276-Q1280 VanDerWaalsContact O-CG 3.25Å; N1276-Q1280 WeakPolarHBondContact O-CG 3.2Å; N1276-Q1280 PolarHBondContact O-N 3.3Å; N1276-Q1280 VanDerWaalsContact O-N 3.09Å; N1276-Q1280 PolarHBondContact O-NE2 3.23Å; N1276-Q1280 PolarHBondContact OD1-NE2 3.29Å; Y1277-Q1280 CarbonylContact O-C 3.48Å; Y1277-Q1280 WeakPolarHBondContact O-CB 3.37Å; Y1277-Q1280 PolarHBondContact O-N 3.05Å; V1278-Q1280 VanDerWaalsContact C-N 3.3Å; V1278-Q1280 PolarHBondContact O-N 3Å; Q1280-L1283 PolarHBondContact O-N 2.77Å; Q1280-D1284 PolarHBondContact O-N 2.86Å; Q1280-I1314 HydrophobicContact CG-CG1 4.05Å; Q1280-K1317 HydrophobicContact CB-CD 4.04Å; Q1280-K1317 HydrophobicContact CG-CD 3.97Å; Q1280-K1317 WeakPolarHBondContact O-CE 3.44Å; Q1280-K1317 PolarHBondContact O-NZ 2.96Å |
| 1281 | K | 97.7 | Very high | 95.4 | Very high | 58 Ų | 58 | 40.2 Ų | 40.2 | 25% | 0.252 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.2 | -47.2 | 176.5 | -175.1 | 62.3 | 59.4 | 176.1 | 0 | 111.3 | E1202 A1206 Y1277 V1278 L1283 D1284 V1285 | E1202-K1281 HydrophobicContact CB-CB 4.4Å; E1202-K1281 HydrophobicContact CB-CG 4.14Å; E1202-K1281 HydrophobicContact CG-CB 3.85Å; E1202-K1281 HydrophobicContact CG-CG 4.15Å; E1202-K1281 WeakPolarHBondContact OE2-CE 3.43Å; E1202-K1281 IonicContact OE2-NZ 2.79Å; A1206-K1281 HydrophobicContact CB-CD 4.33Å; Y1277-K1281 PolarHBondContact O-N 3.47Å; V1278-K1281 WeakPolarHBondContact O-CB 3.36Å; V1278-K1281 PolarHBondContact O-N 3.43Å; V1278-K1281 VanDerWaalsContact O-N 3.08Å; K1281-L1283 VanDerWaalsContact C-N 3.31Å; K1281-L1283 PolarHBondContact O-N 3.32Å; K1281-D1284 WeakPolarHBondContact O-CB 3.48Å; K1281-D1284 PolarHBondContact O-N 2.83Å; K1281-V1285 HydrophobicContact CD-CG1 4.43Å; K1281-V1285 PolarHBondContact O-N 2.81Å; K1281-V1285 VanDerWaalsContact O-N 3.09Å |
| 1282 | M | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.4 | -45 | 175.8 | -70.8 | 168.7 | 159.9 | 0 | 0 | 111.2 | V1188 V1205 L1216 I1217 I1220 V1278 I1279 D1284 V1285 A1286 L1294 | V1188-M1282 HydrophobicContact CG1-CE 3.86Å; V1205-M1282 HydrophobicContact CG1-CG 3.8Å; V1205-M1282 HydrophobicContact CG2-CE 4.03Å; V1205-M1282 HydrophobicContact CG2-CG 4.47Å; L1216-M1282 WeakPolarHBondContact O-CE 3.47Å; I1217-M1282 HydrophobicContact CG1-CB 4.31Å; I1217-M1282 HydrophobicContact CG1-CE 4.31Å; I1217-M1282 HydrophobicContact CG1-CG 3.96Å; I1217-M1282 HydrophobicContact CG1-SD 4.42Å; I1220-M1282 HydrophobicContact CD1-CE 3.97Å; I1220-M1282 HydrophobicContact CD1-SD 3.33Å; I1220-M1282 WeakPolarHBondContact CD1-SD 3.3Å; I1220-M1282 HydrophobicContact CG1-CE 4.21Å; I1220-M1282 HydrophobicContact CG1-SD 4.13Å; V1278-M1282 HydrophobicContact CG1-CE 3.95Å; V1278-M1282 HydrophobicContact CG1-CG 4.47Å; V1278-M1282 HydrophobicContact CG1-SD 4.07Å; V1278-M1282 WeakPolarHBondContact O-CG 3.48Å; V1278-M1282 PolarHBondContact O-N 2.83Å; I1279-M1282 HydrophobicContact CD1-SD 4.15Å; I1279-M1282 PolarHBondContact O-N 2.8Å; M1282-D1284 VanDerWaalsContact C-N 3.29Å; M1282-D1284 PolarHBondContact O-N 2.86Å; M1282-V1285 PolarHBondContact O-N 3.31Å; M1282-A1286 WeakPolarHBondContact O-CB 3.31Å; M1282-A1286 PolarHBondContact O-N 2.94Å; M1282-L1294 HydrophobicContact CB-CD2 3.82Å |
| 1283 | L | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.3 | -35.1 | 174.6 | -77.2 | 168.9 | 0 | 0 | 0 | 113.7 | I1279 Q1280 K1281 R1291 L1294 M1295 I1298 I1314 K1317 M1318 Y1321 | I1279-L1283 PolarHBondContact O-N 2.61Å; Q1280-L1283 PolarHBondContact O-N 2.77Å; K1281-L1283 VanDerWaalsContact C-N 3.31Å; K1281-L1283 PolarHBondContact O-N 3.32Å; L1283-R1291 PolarHBondContact O-NE 2.88Å; L1283-L1294 HydrophobicContact CD2-CD2 3.86Å; L1283-L1294 HydrophobicContact CD2-CG 3.99Å; L1283-L1294 HydrophobicContact CG-CD2 3.93Å; L1283-L1294 HydrophobicContact CG-CG 4.41Å; L1283-M1295 HydrophobicContact CD2-CG 3.92Å; L1283-I1298 HydrophobicContact CD1-CD1 4Å; L1283-I1298 HydrophobicContact CD2-CD1 4.23Å; L1283-I1298 HydrophobicContact CG-CD1 4.31Å; L1283-I1314 HydrophobicContact CD1-CG2 4.35Å; L1283-K1317 HydrophobicContact CB-CD 4.43Å; L1283-K1317 HydrophobicContact CD1-CD 4.47Å; L1283-M1318 HydrophobicContact CD1-SD 4.28Å; L1283-M1318 HydrophobicContact CD2-SD 4.19Å; L1283-Y1321 HydrophobicContact CB-CE2 4.25Å; L1283-Y1321 PolarHBondContact O-OH 3.5Å |
| 1284 | D | 95.3 | Very high | 95.2 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.1 | -55.8 | 175.2 | -69.8 | -34.3 | 0 | 0 | 0 | 111.4 | Q1280 K1281 M1282 R1291 K1317 Y1321 | Q1280-D1284 PolarHBondContact O-N 2.86Å; K1281-D1284 WeakPolarHBondContact O-CB 3.48Å; K1281-D1284 PolarHBondContact O-N 2.83Å; M1282-D1284 VanDerWaalsContact C-N 3.29Å; M1282-D1284 PolarHBondContact O-N 2.86Å; D1284-R1291 PolarHBondContact O-NH2 3.46Å; D1284-K1317 WeakPolarHBondContact OD1-CE 3.23Å; D1284-K1317 IonicContact OD1-NZ 2.97Å; D1284-K1317 PolarHBondContact OD1-NZ 3.09Å; D1284-K1317 IonicContact OD2-NZ 2.7Å; D1284-K1317 PolarHBondContact OD2-NZ 2.88Å; D1284-Y1321 WeakPolarHBondContact CA-OH 3.39Å |
| 1285 | V | 95.9 | Very high | 95 | Very high | 43 Ų | 43 | 40.5 Ų | 40.5 | 26% | 0.261 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -96.3 | -13.6 | -165 | -55.1 | 0 | 0 | 0 | 0 | 114.9 | V1205 R1213 K1281 M1282 E1287 | V1205-V1285 HydrophobicContact CG1-CG2 3.67Å; V1205-V1285 WeakPolarHBondContact O-CG2 3.26Å; R1213-V1285 WeakPolarHBondContact CD-O 3.25Å; R1213-V1285 PolarHBondContact NE-O 3.2Å; K1281-V1285 HydrophobicContact CD-CG1 4.43Å; K1281-V1285 PolarHBondContact O-N 2.81Å; K1281-V1285 VanDerWaalsContact O-N 3.09Å; M1282-V1285 PolarHBondContact O-N 3.31Å; V1285-E1287 PolarHBondContact O-N 3.01Å |
| 1286 | A | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 131.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I1217 M1282 I1290 R1291 | I1217-A1286 HydrophobicContact CD1-CB 3.76Å; M1282-A1286 WeakPolarHBondContact O-CB 3.31Å; M1282-A1286 PolarHBondContact O-N 2.94Å; A1286-I1290 HydrophobicContact CB-CG2 4.47Å; A1286-R1291 HydrophobicContact CB-CB 3.81Å; A1286-R1291 HydrophobicContact CB-CG 4.31Å; A1286-R1291 PolarHBondContact O-NE 3.48Å; A1286-R1291 PolarHBondContact O-NH1 3.2Å; A1286-R1291 PolarHBondContact O-NH2 3.31Å |
| 1287 | E | 92.5 | Very high | 94.5 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 24% | 0.238 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -82.4 | 170.1 | 175.4 | -70 | 169.8 | -131.2 | 0 | 0 | 111.1 | R1210 R1213 V1285 I1290 R1291 | R1210-E1287 IonicContact CZ-OE2 3.96Å; R1210-E1287 VanDerWaalsContact CZ-OE2 3.3Å; R1210-E1287 IonicContact NE-OE1 3.3Å; R1210-E1287 IonicContact NE-OE2 3.62Å; R1210-E1287 PolarHBondContact NE-OE2 2.98Å; R1210-E1287 IonicContact NH2-OE2 3.76Å; R1210-E1287 PolarHBondContact NH2-OE2 2.83Å; R1213-E1287 IonicContact CZ-OE1 3.88Å; R1213-E1287 IonicContact NE-OE1 3.56Å; R1213-E1287 IonicContact NH2-OE1 2.92Å; R1213-E1287 PolarHBondContact NH2-OE1 3.36Å; V1285-E1287 PolarHBondContact O-N 3.01Å; E1287-I1290 CarbonylContact O-C 3.59Å; E1287-I1290 WeakPolarHBondContact O-CA 3.37Å; E1287-I1290 WeakPolarHBondContact O-CB 3.45Å; E1287-I1290 PolarHBondContact O-N 2.91Å; E1287-R1291 PolarHBondContact O-N 3.27Å |
| 1288 | Q | 91.3 | Very high | 94.3 | Very high | 112 Ų | 112 | 42.5 Ų | 42.5 | 52% | 0.523 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 140.6 | 165.2 | -59.9 | -64.4 | 14.8 | 0 | 0 | 109 | K1292 | Q1288-K1292 VanDerWaalsContact OE1-N 3.15Š|
| 1289 | P | 91.6 | Very high | 94 | Very high | 99 Ų | 99 | 50.4 Ų | 50.4 | 64% | 0.643 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -84.7 | -11.9 | 7.5 | 33.9 | -36.5 | 0 | 0 | 0 | 115.5 | R1291 K1292 E1293 | P1289-R1291 VanDerWaalsContact C-N 3.32Å; P1289-R1291 PolarHBondContact O-N 2.88Å; P1289-K1292 WeakPolarHBondContact O-CA 3.34Å; P1289-K1292 VanDerWaalsContact O-CB 3.28Å; P1289-K1292 WeakPolarHBondContact O-CB 3.49Å; P1289-K1292 PolarHBondContact O-N 2.85Å; P1289-E1293 PolarHBondContact O-N 3Å |
| 1290 | I | 92.2 | Very high | 93.8 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.2 | -42.1 | -170.1 | -50.6 | 152.1 | 0 | 0 | 0 | 112.5 | Q1214 I1217 A1286 E1287 K1292 E1293 L1294 | Q1214-I1290 HydrophobicContact CB-CD1 3.65Å; Q1214-I1290 HydrophobicContact CG-CD1 3.53Å; Q1214-I1290 HydrophobicContact CG-CG1 4.02Å; I1217-I1290 HydrophobicContact CB-CG2 4.07Å; I1217-I1290 HydrophobicContact CD1-CG2 4.23Å; I1217-I1290 HydrophobicContact CG2-CG2 3.56Å; A1286-I1290 HydrophobicContact CB-CG2 4.47Å; E1287-I1290 CarbonylContact O-C 3.59Å; E1287-I1290 WeakPolarHBondContact O-CA 3.37Å; E1287-I1290 WeakPolarHBondContact O-CB 3.45Å; E1287-I1290 PolarHBondContact O-N 2.91Å; I1290-K1292 VanDerWaalsContact C-N 3.3Å; I1290-K1292 PolarHBondContact O-N 2.98Å; I1290-E1293 PolarHBondContact O-N 3.43Å; I1290-E1293 VanDerWaalsContact O-N 3.15Å; I1290-L1294 PolarHBondContact O-N 3.36Å |
| 1291 | R | 94.2 | Very high | 93.5 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 19% | 0.185 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 176.9 | -167.5 | -168.3 | -76.5 | 108.9 | -8.1 | 111.6 | L1283 D1284 A1286 E1287 P1289 E1293 M1295 | L1283-R1291 PolarHBondContact O-NE 2.88Å; D1284-R1291 PolarHBondContact O-NH2 3.46Å; A1286-R1291 HydrophobicContact CB-CB 3.81Å; A1286-R1291 HydrophobicContact CB-CG 4.31Å; A1286-R1291 PolarHBondContact O-NE 3.48Å; A1286-R1291 PolarHBondContact O-NH1 3.2Å; A1286-R1291 PolarHBondContact O-NH2 3.31Å; E1287-R1291 PolarHBondContact O-N 3.27Å; P1289-R1291 VanDerWaalsContact C-N 3.32Å; P1289-R1291 PolarHBondContact O-N 2.88Å; R1291-E1293 VanDerWaalsContact C-N 3.35Å; R1291-M1295 WeakPolarHBondContact O-CB 3.25Å; R1291-M1295 VanDerWaalsContact O-CG 3.25Å; R1291-M1295 WeakPolarHBondContact O-CG 3.5Å; R1291-M1295 PolarHBondContact O-N 3.14Å |
| 1292 | K | 92.6 | Very high | 93.2 | Very high | 132 Ų | 132 | 54.5 Ų | 54.5 | 57% | 0.574 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.2 | -41.2 | 176.1 | -174.4 | -170.8 | 173.8 | -166.5 | 0 | 110.7 | Q1288 P1289 I1290 M1295 I1296 | Q1288-K1292 VanDerWaalsContact OE1-N 3.15Å; P1289-K1292 WeakPolarHBondContact O-CA 3.34Å; P1289-K1292 VanDerWaalsContact O-CB 3.28Å; P1289-K1292 WeakPolarHBondContact O-CB 3.49Å; P1289-K1292 PolarHBondContact O-N 2.85Å; I1290-K1292 VanDerWaalsContact C-N 3.3Å; I1290-K1292 PolarHBondContact O-N 2.98Å; K1292-M1295 PolarHBondContact O-N 3Å; K1292-I1296 HydrophobicContact CG-CD1 4.05Å; K1292-I1296 VanDerWaalsContact O-CG1 3.28Å; K1292-I1296 WeakPolarHBondContact O-CG1 3.46Å; K1292-I1296 PolarHBondContact O-N 3.22Å |
| 1293 | E | 92.5 | Very high | 92.8 | Very high | 79 Ų | 79 | 57 Ų | 57 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.3 | -48.6 | 177.5 | -170.8 | 52.9 | -142.1 | 0 | 0 | 111.6 | L1221 P1289 I1290 R1291 M1295 I1296 Q1297 | L1221-E1293 HydrophobicContact CD1-CG 4.22Å; P1289-E1293 PolarHBondContact O-N 3Å; I1290-E1293 PolarHBondContact O-N 3.43Å; I1290-E1293 VanDerWaalsContact O-N 3.15Å; R1291-E1293 VanDerWaalsContact C-N 3.35Å; E1293-M1295 VanDerWaalsContact C-N 3.26Å; E1293-M1295 PolarHBondContact O-N 3.33Å; E1293-I1296 WeakPolarHBondContact O-CA 3.23Å; E1293-I1296 WeakPolarHBondContact O-CB 3.24Å; E1293-I1296 PolarHBondContact O-N 3.24Å; E1293-Q1297 PolarHBondContact O-N 3.4Å; E1293-Q1297 PolarHBondContact OE1-NE2 3.43Å |
| 1294 | L | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.4 | -40 | 172.8 | -178.1 | 61.7 | 0 | 0 | 0 | 112 | L1221 L1266 M1282 L1283 I1290 I1298 | L1221-L1294 HydrophobicContact CD2-CB 4.23Å; L1221-L1294 HydrophobicContact CD2-CD1 3.83Å; L1266-L1294 HydrophobicContact CD1-CD1 3.82Å; L1266-L1294 HydrophobicContact CD2-CD1 4.49Å; M1282-L1294 HydrophobicContact CB-CD2 3.82Å; L1283-L1294 HydrophobicContact CD2-CD2 3.86Å; L1283-L1294 HydrophobicContact CD2-CG 3.99Å; L1283-L1294 HydrophobicContact CG-CD2 3.93Å; L1283-L1294 HydrophobicContact CG-CG 4.41Å; I1290-L1294 PolarHBondContact O-N 3.36Å; L1294-I1298 HydrophobicContact CD1-CD1 3.88Å; L1294-I1298 HydrophobicContact CD1-CG1 4.26Å; L1294-I1298 HydrophobicContact CG-CD1 3.93Å; L1294-I1298 WeakPolarHBondContact O-CB 3.39Å; L1294-I1298 WeakPolarHBondContact O-CG1 3.33Å; L1294-I1298 PolarHBondContact O-N 3.33Å |
| 1295 | M | 93.2 | Very high | 92.2 | Very high | 16 Ų | 16 | 57.6 Ų | 57.6 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.7 | -30.7 | 173.4 | -74.7 | -176.1 | 65.1 | 0 | 0 | 113.9 | L1283 R1291 K1292 E1293 R1299 M1318 Y1321 Y1322 | L1283-M1295 HydrophobicContact CD2-CG 3.92Å; R1291-M1295 WeakPolarHBondContact O-CB 3.25Å; R1291-M1295 VanDerWaalsContact O-CG 3.25Å; R1291-M1295 WeakPolarHBondContact O-CG 3.5Å; R1291-M1295 PolarHBondContact O-N 3.14Å; K1292-M1295 PolarHBondContact O-N 3Å; E1293-M1295 VanDerWaalsContact C-N 3.26Å; E1293-M1295 PolarHBondContact O-N 3.33Å; M1295-R1299 WeakPolarHBondContact O-CB 3.27Å; M1295-R1299 PolarHBondContact O-N 3.46Å; M1295-M1318 HydrophobicContact CB-CE 3.9Å; M1295-M1318 HydrophobicContact CB-SD 4.29Å; M1295-M1318 HydrophobicContact CE-CE 4.28Å; M1295-M1318 HydrophobicContact CE-SD 4.46Å; M1295-M1318 HydrophobicContact CG-CE 4.05Å; M1295-M1318 HydrophobicContact CG-SD 3.8Å; M1295-M1318 VanDerWaalsContact O-CE 3.25Å; M1295-M1318 WeakPolarHBondContact O-CE 3.46Å; M1295-Y1321 HydrophobicContact SD-CG 4.1Å; M1295-Y1322 HydrophobicContact CE-CD1 4.05Å; M1295-Y1322 HydrophobicContact CE-CD2 4.39Å; M1295-Y1322 HydrophobicContact CE-CE1 3.8Å; M1295-Y1322 HydrophobicContact CE-CE2 4.17Å; M1295-Y1322 HydrophobicContact CE-CG 4.33Å |
| 1296 | I | 92.5 | Very high | 92 | Very high | 78 Ų | 78 | 62.9 Ų | 62.9 | 40% | 0.4 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.1 | -50.5 | 174.9 | -74 | 163.7 | 0 | 0 | 0 | 109.5 | K1292 E1293 I1298 R1299 P1300 | K1292-I1296 HydrophobicContact CG-CD1 4.05Å; K1292-I1296 VanDerWaalsContact O-CG1 3.28Å; K1292-I1296 WeakPolarHBondContact O-CG1 3.46Å; K1292-I1296 PolarHBondContact O-N 3.22Å; E1293-I1296 WeakPolarHBondContact O-CA 3.23Å; E1293-I1296 WeakPolarHBondContact O-CB 3.24Å; E1293-I1296 PolarHBondContact O-N 3.24Å; I1296-I1298 VanDerWaalsContact C-N 3.33Å; I1296-I1298 PolarHBondContact O-N 2.96Å; I1296-R1299 WeakPolarHBondContact O-CB 3.23Å; I1296-R1299 PolarHBondContact O-N 2.9Å; I1296-R1299 VanDerWaalsContact O-N 3.08Å; I1296-P1300 WeakPolarHBondContact O-CD 3.37Å |
| 1297 | Q | 92.1 | Very high | 91.8 | Very high | 75 Ų | 75 | 71.5 Ų | 71.5 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.6 | -33.2 | -179.9 | -61.4 | -61 | -17.9 | 0 | 0 | 112.9 | L1221 L1266 E1293 R1299 H1301 | L1221-Q1297 HydrophobicContact CD2-CB 4.15Å; L1221-Q1297 HydrophobicContact CD2-CG 3.92Å; L1266-Q1297 HydrophobicContact CD2-CB 3.52Å; E1293-Q1297 PolarHBondContact O-N 3.4Å; E1293-Q1297 PolarHBondContact OE1-NE2 3.43Å; Q1297-R1299 VanDerWaalsContact C-N 3.34Å; Q1297-R1299 PolarHBondContact O-N 3.21Å; Q1297-H1301 PolarHBondContact O-CD2 2.92Å |
| 1298 | I | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.7 | -28.1 | 174.3 | -67.6 | 175.2 | 0 | 0 | 0 | 112.3 | L1266 M1270 I1279 L1283 L1294 I1296 H1301 L1302 L1305 I1314 M1318 | L1266-I1298 HydrophobicContact CD1-CG1 4.22Å; L1266-I1298 HydrophobicContact CD2-CG1 4.05Å; L1266-I1298 HydrophobicContact CG-CG1 4.45Å; M1270-I1298 HydrophobicContact CE-CG1 4.43Å; M1270-I1298 HydrophobicContact SD-CB 4.22Å; M1270-I1298 HydrophobicContact SD-CD1 4.11Å; M1270-I1298 HydrophobicContact SD-CG1 3.63Å; M1270-I1298 HydrophobicContact SD-CG2 3.88Å; I1279-I1298 HydrophobicContact CG2-CD1 3.85Å; L1283-I1298 HydrophobicContact CD1-CD1 4Å; L1283-I1298 HydrophobicContact CD2-CD1 4.23Å; L1283-I1298 HydrophobicContact CG-CD1 4.31Å; L1294-I1298 HydrophobicContact CD1-CD1 3.88Å; L1294-I1298 HydrophobicContact CD1-CG1 4.26Å; L1294-I1298 HydrophobicContact CG-CD1 3.93Å; L1294-I1298 WeakPolarHBondContact O-CB 3.39Å; L1294-I1298 WeakPolarHBondContact O-CG1 3.33Å; L1294-I1298 PolarHBondContact O-N 3.33Å; I1296-I1298 VanDerWaalsContact C-N 3.33Å; I1296-I1298 PolarHBondContact O-N 2.96Å; I1298-H1301 PolarHBondContact O-N 3.3Å; I1298-L1302 HydrophobicContact CG2-CD2 4.17Å; I1298-L1305 HydrophobicContact CG2-CD1 4.39Å; I1298-I1314 HydrophobicContact CD1-CG2 4.35Å; I1298-I1314 HydrophobicContact CG2-CG2 4.11Å; I1298-M1318 HydrophobicContact CB-CE 4Å; I1298-M1318 HydrophobicContact CB-SD 4.2Å; I1298-M1318 HydrophobicContact CD1-SD 4.34Å; I1298-M1318 HydrophobicContact CG2-CE 3.83Å; I1298-M1318 HydrophobicContact CG2-CG 3.89Å; I1298-M1318 HydrophobicContact CG2-SD 3.86Å |
| 1299 | R | 92.4 | Very high | 91.5 | Very high | 165 Ų | 165 | 72.5 Ų | 72.5 | 62% | 0.623 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.3 | -46.7 | -168.9 | 175.6 | 178 | 168.8 | 167.8 | -4.6 | 114.7 | M1295 I1296 Q1297 H1301 L1302 | M1295-R1299 WeakPolarHBondContact O-CB 3.27Å; M1295-R1299 PolarHBondContact O-N 3.46Å; I1296-R1299 WeakPolarHBondContact O-CB 3.23Å; I1296-R1299 PolarHBondContact O-N 2.9Å; I1296-R1299 VanDerWaalsContact O-N 3.08Å; Q1297-R1299 VanDerWaalsContact C-N 3.34Å; Q1297-R1299 PolarHBondContact O-N 3.21Å; R1299-H1301 PolarHBondContact O-N 3.23Å; R1299-L1302 HydrophobicContact CG-CD1 4.37Å; R1299-L1302 WeakPolarHBondContact O-CD1 3.35Å; R1299-L1302 WeakPolarHBondContact O-CG 3.32Å; R1299-L1302 PolarHBondContact O-N 3.43Å |
| 1300 | P | 92.5 | Very high | 91.3 | Very high | 95 Ų | 95 | 71.8 Ų | 71.8 | 62% | 0.617 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -55.5 | -38.7 | 175.9 | -27.4 | 34.8 | 0 | 0 | 0 | 112.9 | I1296 L1302 | I1296-P1300 WeakPolarHBondContact O-CD 3.37Å; P1300-L1302 VanDerWaalsContact C-N 3.31Å; P1300-L1302 PolarHBondContact O-N 3.22Å |
| 1301 | H | 90.8 | Very high | 91.1 | Very high | 44 Ų | 44 | 71 Ų | 71 | 20% | 0.204 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -81.3 | -5.2 | -171.9 | -52.2 | -55.5 | 0 | 0 | 0 | 114.2 | V1267 M1270 Q1297 I1298 R1299 G1303 I1304 L1305 | V1267-H1301 HydrophobicContact CG2-CB 4.46Å; V1267-H1301 WeakPolarHBondContact CG2-CD2 3.49Å; V1267-H1301 VanDerWaalsContact CG2-NE2 3.33Å; V1267-H1301 WeakPolarHBondContact CG2-NE2 3.45Å; M1270-H1301 HydrophobicContact CE-CB 3.98Å; Q1297-H1301 PolarHBondContact O-CD2 2.92Å; I1298-H1301 PolarHBondContact O-N 3.3Å; R1299-H1301 PolarHBondContact O-N 3.23Å; H1301-G1303 PolarHBondContact O-N 3.09Å; H1301-G1303 VanDerWaalsContact O-N 3.12Å; H1301-I1304 WeakPolarHBondContact O-CA 3.22Å; H1301-I1304 WeakPolarHBondContact O-CB 3.38Å; H1301-I1304 PolarHBondContact O-N 3.05Å; H1301-L1305 HydrophobicContact CB-CD1 4.48Å; H1301-L1305 HydrophobicContact CB-CG 4.48Å; H1301-L1305 WeakPolarHBondContact O-CG 3.39Å; H1301-L1305 PolarHBondContact O-N 3.45Å |
| 1302 | L | 91 | Very high | 90.9 | Very high | 37 Ų | 37 | 73.9 Ų | 73.9 | 19% | 0.194 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.8 | -33.1 | 179.8 | -66.9 | 171.9 | 0 | 0 | 0 | 113.3 | I1298 R1299 P1300 R1306 I1315 M1318 | I1298-L1302 HydrophobicContact CG2-CD2 4.17Å; R1299-L1302 HydrophobicContact CG-CD1 4.37Å; R1299-L1302 WeakPolarHBondContact O-CD1 3.35Å; R1299-L1302 WeakPolarHBondContact O-CG 3.32Å; R1299-L1302 PolarHBondContact O-N 3.43Å; P1300-L1302 VanDerWaalsContact C-N 3.31Å; P1300-L1302 PolarHBondContact O-N 3.22Å; L1302-R1306 WeakPolarHBondContact O-CG 3.43Å; L1302-R1306 PolarHBondContact O-N 3.48Å; L1302-I1315 HydrophobicContact CD2-CG1 3.83Å; L1302-M1318 HydrophobicContact CD2-CB 4.4Å; L1302-M1318 HydrophobicContact CD2-CG 4.25Å |
| 1303 | G | 89.5 | Confident | 90.8 | Very high | 52 Ų | 52 | 71.8 Ų | 71.8 | 54% | 0.536 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | H1301 | H1301-G1303 PolarHBondContact O-N 3.09Å; H1301-G1303 VanDerWaalsContact O-N 3.12Å |
| 1304 | I | 88.1 | Confident | 90.8 | Very high | 67 Ų | 67 | 68 Ų | 68 | 34% | 0.344 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.3 | -47.6 | 175.7 | -60.3 | 173.1 | 0 | 0 | 0 | 109.7 | H1301 R1306 K1307 Y1308 | H1301-I1304 WeakPolarHBondContact O-CA 3.22Å; H1301-I1304 WeakPolarHBondContact O-CB 3.38Å; H1301-I1304 PolarHBondContact O-N 3.05Å; I1304-R1306 PolarHBondContact O-N 2.8Å; I1304-R1306 VanDerWaalsContact O-N 3.15Å; I1304-K1307 WeakPolarHBondContact O-CB 3.39Å; I1304-K1307 PolarHBondContact O-N 3.19Å; I1304-Y1308 HydrophobicContact CG2-CD2 4.35Å; I1304-Y1308 HydrophobicContact CG2-CE2 3.78Å; I1304-Y1308 WeakPolarHBondContact O-CD2 3.35Å |
| 1305 | L | 90.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.7 | -26.3 | -176.4 | -66.8 | 173.4 | 0 | 0 | 0 | 113.6 | M1270 I1298 H1301 K1307 Y1308 I1315 | M1270-L1305 HydrophobicContact CB-CD2 3.61Å; M1270-L1305 HydrophobicContact CE-CD1 3.95Å; M1270-L1305 HydrophobicContact CE-CD2 4.29Å; M1270-L1305 HydrophobicContact CE-CG 4.49Å; M1270-L1305 HydrophobicContact SD-CD1 3.65Å; M1270-L1305 HydrophobicContact SD-CD2 4.37Å; I1298-L1305 HydrophobicContact CG2-CD1 4.39Å; H1301-L1305 HydrophobicContact CB-CD1 4.48Å; H1301-L1305 HydrophobicContact CB-CG 4.48Å; H1301-L1305 WeakPolarHBondContact O-CG 3.39Å; H1301-L1305 PolarHBondContact O-N 3.45Å; L1305-K1307 PolarHBondContact O-N 3.06Å; L1305-Y1308 PolarHBondContact O-N 2.77Å; L1305-Y1308 VanDerWaalsContact O-N 3.11Å; L1305-I1315 HydrophobicContact CB-CD1 3.74Å; L1305-I1315 HydrophobicContact CB-CG1 4.14Å |
| 1306 | R | 90.8 | Very high | 90.7 | Very high | 154 Ų | 154 | 72 Ų | 72 | 58% | 0.581 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.6 | 173.7 | -77.3 | 174 | 178.5 | -131.7 | -11.2 | 113 | L1302 I1304 I1315 E1319 | L1302-R1306 WeakPolarHBondContact O-CG 3.43Å; L1302-R1306 PolarHBondContact O-N 3.48Å; I1304-R1306 PolarHBondContact O-N 2.8Å; I1304-R1306 VanDerWaalsContact O-N 3.15Å; R1306-I1315 HydrophobicContact CB-CD1 4.31Å; R1306-I1315 HydrophobicContact CG-CD1 3.53Å; R1306-E1319 IonicContact NH2-OE1 2.68Å; R1306-E1319 PolarHBondContact NH2-OE1 2.75Å |
| 1307 | K | 90.3 | Very high | 90.7 | Very high | 180 Ų | 180 | 69.8 Ų | 69.8 | 78% | 0.783 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -20.2 | 177.1 | -56.8 | -177.1 | 180 | -179.5 | 0 | 113.4 | I1304 L1305 | I1304-K1307 WeakPolarHBondContact O-CB 3.39Å; I1304-K1307 PolarHBondContact O-N 3.19Å; L1305-K1307 PolarHBondContact O-N 3.06Å |
| 1308 | Y | 89 | Confident | 90.7 | Very high | 89 Ų | 89 | 66.2 Ų | 66.2 | 35% | 0.349 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -101.1 | 142.2 | -176 | -68.2 | -97.6 | 0 | 0 | 0 | 111.6 | K1271 I1304 L1305 Y1310 | K1271-Y1308 HydrophobicContact CB-CD1 4.03Å; K1271-Y1308 HydrophobicContact CB-CE1 4.05Å; K1271-Y1308 HydrophobicContact CD-CD1 4.49Å; K1271-Y1308 HydrophobicContact CD-CE1 3.86Å; K1271-Y1308 HydrophobicContact CD-CE2 3.99Å; K1271-Y1308 WeakPolarHBondContact CE-OH 3.43Å; K1271-Y1308 HydrophobicContact CG-CD1 3.9Å; K1271-Y1308 HydrophobicContact CG-CD2 4.07Å; K1271-Y1308 HydrophobicContact CG-CE1 3.79Å; K1271-Y1308 HydrophobicContact CG-CE2 3.96Å; K1271-Y1308 HydrophobicContact CG-CG 4.05Å; K1271-Y1308 PolarHBondContact NZ-OH 3.08Å; I1304-Y1308 HydrophobicContact CG2-CD2 4.35Å; I1304-Y1308 HydrophobicContact CG2-CE2 3.78Å; I1304-Y1308 WeakPolarHBondContact O-CD2 3.35Å; L1305-Y1308 PolarHBondContact O-N 2.77Å; L1305-Y1308 VanDerWaalsContact O-N 3.11Å; Y1308-Y1310 PolarHBondContact O-N 3.15Å |
| 1309 | T | 88.7 | Confident | 90.6 | Very high | 96 Ų | 96 | 70.4 Ų | 70.4 | 59% | 0.589 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -49.7 | 177.8 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1310 | Y | 88.4 | Confident | 90.4 | Very high | 83 Ų | 83 | 69.6 Ų | 69.6 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -38.3 | -176.2 | -48.3 | -64.8 | 0 | 0 | 0 | 112.8 | K1271 Q1273 Y1308 K1312 H1313 | K1271-Y1310 WeakPolarHBondContact O-CD2 3.44Å; Q1273-Y1310 HydrophobicContact CB-CD2 4.39Å; Q1273-Y1310 HydrophobicContact CB-CE1 3.87Å; Q1273-Y1310 HydrophobicContact CB-CE2 3.72Å; Q1273-Y1310 VanDerWaalsContact CB-CZ 3.42Å; Q1273-Y1310 WeakPolarHBondContact CB-OH 3.37Å; Y1308-Y1310 PolarHBondContact O-N 3.15Å; Y1310-K1312 PolarHBondContact O-N 3.47Å; Y1310-K1312 VanDerWaalsContact O-N 3.11Å; Y1310-H1313 PolarHBondContact O-CD2 3.12Å; Y1310-H1313 PolarHBondContact O-N 3.07Å |
| 1311 | G | 87.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.2 | -26.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1313 I1314 I1315 | G1311-H1313 VanDerWaalsContact C-N 3.29Å; G1311-H1313 PolarHBondContact O-N 3.35Å; G1311-I1314 PolarHBondContact O-N 3.18Å; G1311-I1315 WeakPolarHBondContact O-CD1 3.24Å; G1311-I1315 WeakPolarHBondContact O-CG1 3.42Å; G1311-I1315 PolarHBondContact O-N 3.29Å |
| 1312 | K | 89.5 | Confident | 89.8 | Confident | 109 Ų | 109 | 68 Ų | 68 | 47% | 0.474 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.9 | -35.2 | 174.7 | -67.9 | 172 | -176.3 | 175.8 | 0 | 113 | Y1310 I1314 I1315 N1316 | Y1310-K1312 PolarHBondContact O-N 3.47Å; Y1310-K1312 VanDerWaalsContact O-N 3.11Å; K1312-I1314 VanDerWaalsContact C-N 3.35Å; K1312-I1315 PolarHBondContact O-N 3.03Å; K1312-N1316 WeakPolarHBondContact O-CB 3.45Å; K1312-N1316 PolarHBondContact O-N 3.34Å; K1312-N1316 PolarHBondContact O-ND2 3.23Å; K1312-N1316 PolarHBondContact O-OD1 2.89Å |
| 1313 | H | 90.4 | Very high | 89.4 | Confident | 87 Ų | 87 | 72.5 Ų | 72.5 | 40% | 0.403 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.1 | -37.8 | 177.9 | -59.7 | -76.3 | 0 | 0 | 0 | 111.5 | Y1310 G1311 K1317 | Y1310-H1313 PolarHBondContact O-CD2 3.12Å; Y1310-H1313 PolarHBondContact O-N 3.07Å; G1311-H1313 VanDerWaalsContact C-N 3.29Å; G1311-H1313 PolarHBondContact O-N 3.35Å; H1313-K1317 WeakPolarHBondContact O-CB 3.36Å; H1313-K1317 PolarHBondContact O-N 2.79Å; H1313-K1317 VanDerWaalsContact O-N 3.15Å |
| 1314 | I | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.3 | -44.5 | 175.5 | -56.2 | -178.5 | 0 | 0 | 0 | 110.6 | M1270 N1276 I1279 Q1280 L1283 I1298 G1311 K1312 N1316 K1317 M1318 | M1270-I1314 HydrophobicContact CB-CD1 3.69Å; M1270-I1314 HydrophobicContact CG-CD1 3.57Å; M1270-I1314 HydrophobicContact SD-CD1 4.25Å; M1270-I1314 HydrophobicContact SD-CG2 4.28Å; N1276-I1314 HydrophobicContact CB-CD1 4.11Å; I1279-I1314 HydrophobicContact CB-CD1 4.17Å; I1279-I1314 HydrophobicContact CG2-CD1 4.05Å; Q1280-I1314 HydrophobicContact CG-CG1 4.05Å; L1283-I1314 HydrophobicContact CD1-CG2 4.35Å; I1298-I1314 HydrophobicContact CD1-CG2 4.35Å; I1298-I1314 HydrophobicContact CG2-CG2 4.11Å; G1311-I1314 PolarHBondContact O-N 3.18Å; K1312-I1314 VanDerWaalsContact C-N 3.35Å; I1314-N1316 PolarHBondContact O-N 3.25Å; I1314-K1317 WeakPolarHBondContact O-CA 3.36Å; I1314-K1317 WeakPolarHBondContact O-CB 3.41Å; I1314-K1317 PolarHBondContact O-N 2.93Å; I1314-M1318 HydrophobicContact CG2-CG 4.35Å; I1314-M1318 VanDerWaalsContact O-CG 3.32Å; I1314-M1318 WeakPolarHBondContact O-CG 3.49Å; I1314-M1318 PolarHBondContact O-N 3.43Å |
| 1315 | I | 92.7 | Very high | 88.3 | Confident | 10 Ų | 10 | 73.9 Ų | 73.9 | 5% | 0.051 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.3 | -51.4 | 175.3 | -67.6 | 156.2 | 0 | 0 | 0 | 111 | L1302 L1305 R1306 G1311 K1312 K1317 M1318 E1319 | L1302-I1315 HydrophobicContact CD2-CG1 3.83Å; L1305-I1315 HydrophobicContact CB-CD1 3.74Å; L1305-I1315 HydrophobicContact CB-CG1 4.14Å; R1306-I1315 HydrophobicContact CB-CD1 4.31Å; R1306-I1315 HydrophobicContact CG-CD1 3.53Å; G1311-I1315 WeakPolarHBondContact O-CD1 3.24Å; G1311-I1315 WeakPolarHBondContact O-CG1 3.42Å; G1311-I1315 PolarHBondContact O-N 3.29Å; K1312-I1315 PolarHBondContact O-N 3.03Å; I1315-K1317 PolarHBondContact O-N 3.23Å; I1315-K1317 VanDerWaalsContact O-N 3.1Å; I1315-M1318 WeakPolarHBondContact O-CB 3.31Å; I1315-M1318 PolarHBondContact O-N 2.75Å; I1315-M1318 VanDerWaalsContact O-N 3.14Å; I1315-E1319 HydrophobicContact CG2-CG 4.4Å; I1315-E1319 WeakPolarHBondContact CG2-OE1 3.4Å; I1315-E1319 WeakPolarHBondContact O-CG 3.35Å; I1315-E1319 PolarHBondContact O-N 2.89Å |
| 1316 | N | 91.5 | Very high | 87.2 | Confident | 89 Ų | 89 | 78.5 Ų | 78.5 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.8 | -25.5 | 177.6 | -67.2 | -8.9 | 0 | 0 | 0 | 112.8 | K1312 I1314 K1320 | K1312-N1316 WeakPolarHBondContact O-CB 3.45Å; K1312-N1316 PolarHBondContact O-N 3.34Å; K1312-N1316 PolarHBondContact O-ND2 3.23Å; K1312-N1316 PolarHBondContact O-OD1 2.89Å; I1314-N1316 PolarHBondContact O-N 3.25Å; N1316-K1320 WeakPolarHBondContact O-CG 3.26Å |
| 1317 | K | 92.2 | Very high | 85.9 | Confident | 32 Ų | 32 | 77.3 Ų | 77.3 | 14% | 0.139 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -82.5 | -44 | 177.1 | -159.6 | 165.3 | -164.3 | 169.1 | 0 | 111.7 | Q1280 L1283 D1284 H1313 I1314 I1315 E1319 K1320 Y1321 | Q1280-K1317 HydrophobicContact CB-CD 4.04Å; Q1280-K1317 HydrophobicContact CG-CD 3.97Å; Q1280-K1317 WeakPolarHBondContact O-CE 3.44Å; Q1280-K1317 PolarHBondContact O-NZ 2.96Å; L1283-K1317 HydrophobicContact CB-CD 4.43Å; L1283-K1317 HydrophobicContact CD1-CD 4.47Å; D1284-K1317 WeakPolarHBondContact OD1-CE 3.23Å; D1284-K1317 IonicContact OD1-NZ 2.97Å; D1284-K1317 PolarHBondContact OD1-NZ 3.09Å; D1284-K1317 IonicContact OD2-NZ 2.7Å; D1284-K1317 PolarHBondContact OD2-NZ 2.88Å; H1313-K1317 WeakPolarHBondContact O-CB 3.36Å; H1313-K1317 PolarHBondContact O-N 2.79Å; H1313-K1317 VanDerWaalsContact O-N 3.15Å; I1314-K1317 WeakPolarHBondContact O-CA 3.36Å; I1314-K1317 WeakPolarHBondContact O-CB 3.41Å; I1314-K1317 PolarHBondContact O-N 2.93Å; I1315-K1317 PolarHBondContact O-N 3.23Å; I1315-K1317 VanDerWaalsContact O-N 3.1Å; K1317-E1319 VanDerWaalsContact C-N 3.34Å; K1317-E1319 PolarHBondContact O-N 2.76Å; K1317-K1320 WeakPolarHBondContact O-CB 3.38Å; K1317-K1320 PolarHBondContact O-N 3.04Å; K1317-Y1321 HydrophobicContact CG-CD2 4.39Å; K1317-Y1321 HydrophobicContact CG-CE2 4.05Å; K1317-Y1321 VanDerWaalsContact O-CD2 3.26Å; K1317-Y1321 WeakPolarHBondContact O-CD2 3.24Å; K1317-Y1321 PolarHBondContact O-N 2.78Å; K1317-Y1321 VanDerWaalsContact O-N 3.14Å |
| 1318 | M | 91.9 | Very high | 84.5 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 172.5 | -70 | -70.4 | -70.5 | 0 | 0 | 111.6 | L1283 M1295 I1298 L1302 I1314 I1315 K1320 Y1321 Y1322 | L1283-M1318 HydrophobicContact CD1-SD 4.28Å; L1283-M1318 HydrophobicContact CD2-SD 4.19Å; M1295-M1318 HydrophobicContact CB-CE 3.9Å; M1295-M1318 HydrophobicContact CB-SD 4.29Å; M1295-M1318 HydrophobicContact CE-CE 4.28Å; M1295-M1318 HydrophobicContact CE-SD 4.46Å; M1295-M1318 HydrophobicContact CG-CE 4.05Å; M1295-M1318 HydrophobicContact CG-SD 3.8Å; M1295-M1318 VanDerWaalsContact O-CE 3.25Å; M1295-M1318 WeakPolarHBondContact O-CE 3.46Å; I1298-M1318 HydrophobicContact CB-CE 4Å; I1298-M1318 HydrophobicContact CB-SD 4.2Å; I1298-M1318 HydrophobicContact CD1-SD 4.34Å; I1298-M1318 HydrophobicContact CG2-CE 3.83Å; I1298-M1318 HydrophobicContact CG2-CG 3.89Å; I1298-M1318 HydrophobicContact CG2-SD 3.86Å; L1302-M1318 HydrophobicContact CD2-CB 4.4Å; L1302-M1318 HydrophobicContact CD2-CG 4.25Å; I1314-M1318 HydrophobicContact CG2-CG 4.35Å; I1314-M1318 VanDerWaalsContact O-CG 3.32Å; I1314-M1318 WeakPolarHBondContact O-CG 3.49Å; I1314-M1318 PolarHBondContact O-N 3.43Å; I1315-M1318 WeakPolarHBondContact O-CB 3.31Å; I1315-M1318 PolarHBondContact O-N 2.75Å; I1315-M1318 VanDerWaalsContact O-N 3.14Å; M1318-K1320 VanDerWaalsContact C-N 3.34Å; M1318-K1320 PolarHBondContact O-N 2.77Å; M1318-Y1321 PolarHBondContact O-N 2.76Å; M1318-Y1321 VanDerWaalsContact O-N 3.08Å; M1318-Y1322 HydrophobicContact CB-CE2 4.26Å; M1318-Y1322 HydrophobicContact CE-CE2 3.89Å; M1318-Y1322 WeakPolarHBondContact O-CD2 3.49Å; M1318-Y1322 PolarHBondContact O-N 2.82Å |
| 1319 | E | 90.7 | Very high | 82.8 | Confident | 87 Ų | 87 | 76 Ų | 76 | 41% | 0.407 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 177.9 | -71.9 | 174 | 179.1 | 0 | 0 | 112.1 | R1306 I1315 K1317 Y1321 Y1322 M1323 | R1306-E1319 IonicContact NH2-OE1 2.68Å; R1306-E1319 PolarHBondContact NH2-OE1 2.75Å; I1315-E1319 HydrophobicContact CG2-CG 4.4Å; I1315-E1319 WeakPolarHBondContact CG2-OE1 3.4Å; I1315-E1319 WeakPolarHBondContact O-CG 3.35Å; I1315-E1319 PolarHBondContact O-N 2.89Å; K1317-E1319 VanDerWaalsContact C-N 3.34Å; K1317-E1319 PolarHBondContact O-N 2.76Å; E1319-Y1321 PolarHBondContact O-N 3.28Å; E1319-Y1322 PolarHBondContact O-N 3.37Å; E1319-M1323 WeakPolarHBondContact O-CG 3.43Å; E1319-M1323 PolarHBondContact O-N 2.84Å |
| 1320 | K | 89 | Confident | 81.2 | Confident | 149 Ų | 149 | 77.1 Ų | 77.1 | 65% | 0.648 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.6 | -40.5 | 172.1 | -72.4 | 172.1 | -179.3 | -177.1 | 0 | 112.8 | N1316 K1317 M1318 M1323 K1324 | N1316-K1320 WeakPolarHBondContact O-CG 3.26Å; K1317-K1320 WeakPolarHBondContact O-CB 3.38Å; K1317-K1320 PolarHBondContact O-N 3.04Å; M1318-K1320 VanDerWaalsContact C-N 3.34Å; M1318-K1320 PolarHBondContact O-N 2.77Å; K1320-M1323 PolarHBondContact O-N 2.63Å; K1320-K1324 VanDerWaalsContact O-CB 3.27Å; K1320-K1324 WeakPolarHBondContact O-CB 3.4Å; K1320-K1324 PolarHBondContact O-N 3.28Å |
| 1321 | Y | 85.5 | Confident | 79.7 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 14% | 0.137 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 176.6 | -80.4 | -73.1 | 0 | 0 | 0 | 112.5 | L1283 D1284 M1295 K1317 M1318 E1319 K1324 T1325 | L1283-Y1321 HydrophobicContact CB-CE2 4.25Å; L1283-Y1321 PolarHBondContact O-OH 3.5Å; D1284-Y1321 WeakPolarHBondContact CA-OH 3.39Å; M1295-Y1321 HydrophobicContact SD-CG 4.1Å; K1317-Y1321 HydrophobicContact CG-CD2 4.39Å; K1317-Y1321 HydrophobicContact CG-CE2 4.05Å; K1317-Y1321 VanDerWaalsContact O-CD2 3.26Å; K1317-Y1321 WeakPolarHBondContact O-CD2 3.24Å; K1317-Y1321 PolarHBondContact O-N 2.78Å; K1317-Y1321 VanDerWaalsContact O-N 3.14Å; M1318-Y1321 PolarHBondContact O-N 2.76Å; M1318-Y1321 VanDerWaalsContact O-N 3.08Å; E1319-Y1321 PolarHBondContact O-N 3.28Å; Y1321-K1324 PolarHBondContact O-N 2.74Å; Y1321-T1325 WeakPolarHBondContact O-CB 3.36Å; Y1321-T1325 PolarHBondContact O-N 2.95Å; Y1321-T1325 PolarHBondContact O-OG1 3.43Å |
| 1322 | Y | 85.6 | Confident | 78.3 | Confident | 70 Ų | 70 | 79.9 Ų | 79.9 | 28% | 0.275 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 173 | -71.2 | -60.2 | 0 | 0 | 0 | 111.7 | M1295 M1318 E1319 K1324 T1325 N1326 | M1295-Y1322 HydrophobicContact CE-CD1 4.05Å; M1295-Y1322 HydrophobicContact CE-CD2 4.39Å; M1295-Y1322 HydrophobicContact CE-CE1 3.8Å; M1295-Y1322 HydrophobicContact CE-CE2 4.17Å; M1295-Y1322 HydrophobicContact CE-CG 4.33Å; M1318-Y1322 HydrophobicContact CB-CE2 4.26Å; M1318-Y1322 HydrophobicContact CE-CE2 3.89Å; M1318-Y1322 WeakPolarHBondContact O-CD2 3.49Å; M1318-Y1322 PolarHBondContact O-N 2.82Å; E1319-Y1322 PolarHBondContact O-N 3.37Å; Y1322-K1324 PolarHBondContact O-N 3.08Å; Y1322-T1325 PolarHBondContact O-N 3.01Å; Y1322-N1326 WeakPolarHBondContact O-CB 3.36Å; Y1322-N1326 PolarHBondContact O-N 3.09Å; Y1322-N1326 PolarHBondContact O-OD1 2.96Å |
| 1323 | M | 82.9 | Confident | 76.3 | Confident | 131 Ų | 131 | 77.5 Ų | 77.5 | 65% | 0.645 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.6 | -49.4 | 172.9 | -75 | -178.7 | 160.6 | 0 | 0 | 112.5 | E1319 K1320 T1325 N1326 Q1327 | E1319-M1323 WeakPolarHBondContact O-CG 3.43Å; E1319-M1323 PolarHBondContact O-N 2.84Å; K1320-M1323 PolarHBondContact O-N 2.63Å; M1323-T1325 PolarHBondContact O-N 2.71Å; M1323-N1326 PolarHBondContact O-N 3.19Å; M1323-Q1327 WeakPolarHBondContact O-CG 3.09Å; M1323-Q1327 PolarHBondContact O-N 3.32Å |
| 1324 | K | 79.9 | Confident | 74.6 | Confident | 73 Ų | 73 | 80 Ų | 80 | 32% | 0.317 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65 | -21.3 | -179.4 | -173.8 | 169.3 | 173.9 | 173.4 | 0 | 113.2 | H232 K1320 Y1321 Y1322 | H232-K1324 VanDerWaalsContact CE1-CE 3.48Å; H232-K1324 WeakPolarHBondContact CE1-CE 3.4Å; H232-K1324 PolarHBondContact CE1-NZ 3.4Å; H232-K1324 VanDerWaalsContact NE2-CD 3.3Å; H232-K1324 WeakPolarHBondContact NE2-CD 3.38Å; H232-K1324 WeakPolarHBondContact NE2-CE 3.41Å; H232-K1324 PolarHBondContact NE2-NZ 3.42Å; H232-K1324 VanDerWaalsContact NE2-NZ 3.11Å; K1320-K1324 VanDerWaalsContact O-CB 3.27Å; K1320-K1324 WeakPolarHBondContact O-CB 3.4Å; K1320-K1324 PolarHBondContact O-N 3.28Å; Y1321-K1324 PolarHBondContact O-N 2.74Å; Y1322-K1324 PolarHBondContact O-N 3.08Å |
| 1325 | T | 73.1 | Confident | 72.6 | Confident | 76 Ų | 76 | 85.6 Ų | 85.6 | 47% | 0.466 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -88.1 | -47.2 | 175.9 | -54 | 0 | 0 | 0 | 0 | 111.6 | Y1321 Y1322 M1323 Q1327 L1328 H1329 | Y1321-T1325 WeakPolarHBondContact O-CB 3.36Å; Y1321-T1325 PolarHBondContact O-N 2.95Å; Y1321-T1325 PolarHBondContact O-OG1 3.43Å; Y1322-T1325 PolarHBondContact O-N 3.01Å; M1323-T1325 PolarHBondContact O-N 2.71Å; T1325-Q1327 VanDerWaalsContact C-N 3.3Å; T1325-Q1327 PolarHBondContact O-N 3.04Å; T1325-L1328 WeakPolarHBondContact O-CB 3.4Å; T1325-L1328 PolarHBondContact O-N 3.03Å; T1325-H1329 PolarHBondContact O-N 3.28Å |
| 1326 | N | 68.6 | Low | 70.2 | Confident | 98 Ų | 98 | 89.3 Ų | 89.3 | 52% | 0.524 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 178.8 | -70.2 | -0.1 | 0 | 0 | 0 | 111.9 | Y1322 M1323 L1328 H1329 L1330 | Y1322-N1326 WeakPolarHBondContact O-CB 3.36Å; Y1322-N1326 PolarHBondContact O-N 3.09Å; Y1322-N1326 PolarHBondContact O-OD1 2.96Å; M1323-N1326 PolarHBondContact O-N 3.19Å; N1326-L1328 VanDerWaalsContact C-N 3.27Å; N1326-L1328 PolarHBondContact O-N 3.02Å; N1326-H1329 PolarHBondContact O-N 3.29Å; N1326-L1330 PolarHBondContact O-N 2.8Å |
| 1327 | Q | 63 | Low | 68.2 | Low | 129 Ų | 129 | 90.9 Ų | 90.9 | 60% | 0.603 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.2 | -34 | 173.1 | -75.9 | 176.9 | -7.9 | 0 | 0 | 113.2 | M1323 T1325 A1331 | M1323-Q1327 WeakPolarHBondContact O-CG 3.09Å; M1323-Q1327 PolarHBondContact O-N 3.32Å; T1325-Q1327 VanDerWaalsContact C-N 3.3Å; T1325-Q1327 PolarHBondContact O-N 3.04Å; Q1327-A1331 VanDerWaalsContact O-CB 3.28Å; Q1327-A1331 WeakPolarHBondContact O-CB 3.48Å; Q1327-A1331 PolarHBondContact O-N 3.12Å |
| 1328 | L | 60.4 | Low | 65.8 | Low | 78 Ų | 78 | 94.7 Ų | 94.7 | 41% | 0.408 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71 | -40.1 | 175.8 | -74.7 | 167.3 | 0 | 0 | 0 | 111.5 | T1325 N1326 A1331 V1332 | T1325-L1328 WeakPolarHBondContact O-CB 3.4Å; T1325-L1328 PolarHBondContact O-N 3.03Å; N1326-L1328 VanDerWaalsContact C-N 3.27Å; N1326-L1328 PolarHBondContact O-N 3.02Å; L1328-A1331 PolarHBondContact O-N 3.18Å; L1328-V1332 WeakPolarHBondContact O-CG2 3.28Å; L1328-V1332 PolarHBondContact O-N 3.42Å; L1328-V1332 VanDerWaalsContact O-N 3.15Å |
| 1329 | H | 54.1 | Low | 63.7 | Low | 164 Ų | 164 | 100.3 Ų | 100.3 | 76% | 0.759 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67 | -39 | 178.2 | -152.1 | 77.2 | 0 | 0 | 0 | 111.9 | T1325 N1326 G1333 | T1325-H1329 PolarHBondContact O-N 3.28Å; N1326-H1329 PolarHBondContact O-N 3.29Å; H1329-G1333 PolarHBondContact O-N 2.92Å |
| 1330 | L | 54.9 | Low | 61.9 | Low | 119 Ų | 119 | 101.6 Ų | 101.6 | 62% | 0.623 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.8 | -39.2 | 173.7 | -82.2 | 154.3 | 0 | 0 | 0 | 113.1 | N1326 G1333 L1334 | N1326-L1330 PolarHBondContact O-N 2.8Å; L1330-G1333 PolarHBondContact O-N 3.1Å; L1330-L1334 PolarHBondContact O-N 2.83Å |
| 1331 | A | 56.7 | Low | 59.9 | Low | 33 Ų | 33 | 100.7 Ų | 100.7 | 27% | 0.273 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.3 | -35.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q1327 L1328 | Q1327-A1331 VanDerWaalsContact O-CB 3.28Å; Q1327-A1331 WeakPolarHBondContact O-CB 3.48Å; Q1327-A1331 PolarHBondContact O-N 3.12Å; L1328-A1331 PolarHBondContact O-N 3.18Å |
| 1332 | V | 57.8 | Low | 57.5 | Low | 108 Ų | 108 | 104.5 Ų | 104.5 | 66% | 0.655 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70 | -35.3 | 174.7 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | L1328 L1334 | L1328-V1332 WeakPolarHBondContact O-CG2 3.28Å; L1328-V1332 PolarHBondContact O-N 3.42Å; L1328-V1332 VanDerWaalsContact O-N 3.15Å; V1332-L1334 VanDerWaalsContact C-N 3.3Å; V1332-L1334 PolarHBondContact O-N 3.23Å |
| 1333 | G | 48.7 | Very low | 55.2 | Low | 58 Ų | 58 | 108.8 Ų | 108.8 | 60% | 0.598 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.8 | -17.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | H1329 L1330 | H1329-G1333 PolarHBondContact O-N 2.92Å; L1330-G1333 PolarHBondContact O-N 3.1Å |
| 1334 | L | 54.5 | Low | 53 | Low | 141 Ų | 141 | 109.2 Ų | 109.2 | 74% | 0.738 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -103.1 | -15.5 | -176.5 | -67.9 | 173.7 | 0 | 0 | 0 | 114.4 | L1330 V1332 | L1330-L1334 PolarHBondContact O-N 2.83Å; V1332-L1334 VanDerWaalsContact C-N 3.3Å; V1332-L1334 PolarHBondContact O-N 3.23Å |
| 1335 | N | 50.3 | Low | 51.1 | Low | 117 Ų | 117 | 112.6 Ų | 112.6 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -102.9 | 13.4 | -176.2 | -71.4 | 11.8 | 0 | 0 | 0 | 113.7 | ||
| 1336 | S | 43.6 | Very low | 49.4 | Very low | 87 Ų | 87 | 114.2 Ų | 114.2 | 61% | 0.608 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -85.6 | 118.5 | 171.8 | -63.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1337 | P | 49.5 | Very low | 48.1 | Very low | 123 Ų | 123 | 116.9 Ų | 116.9 | 80% | 0.799 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -67 | 142.2 | 178.6 | 27.5 | -34.1 | 0 | 0 | 0 | 111.4 | ||
| 1338 | S | 40.4 | Very low | 46.9 | Very low | 112 Ų | 112 | 114.6 Ų | 114.6 | 78% | 0.783 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 133.9 | 178.9 | -45.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1339 | P | 49.4 | Very low | 45.9 | Very low | 119 Ų | 119 | 116.3 Ų | 116.3 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 137.7 | 176 | 27.8 | -33.8 | 0 | 0 | 0 | 110.8 | ||
| 1340 | P | 51.9 | Low | 45.2 | Very low | 113 Ų | 113 | 112.9 Ų | 112.9 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 150.7 | 176.9 | 29.9 | -34.8 | 0 | 0 | 0 | 111.7 | ||
| 1341 | P | 46.9 | Very low | 44.5 | Very low | 130 Ų | 130 | 113.8 Ų | 113.8 | 84% | 0.844 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 136.7 | -178 | 29.7 | -34.8 | 0 | 0 | 0 | 112.7 | ||
| 1342 | S | 36 | Very low | 43.8 | Very low | 115 Ų | 115 | 119.3 Ų | 119.3 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 144.7 | -173.8 | -43.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1343 | L | 37.1 | Very low | 42.9 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | trans | -140.3 | 99.2 | 156.3 | -81.5 | 177.6 | 0 | 0 | 0 | 111.4 | ||||
| 1344 | D | 37.4 | Very low | 42.3 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 60.4 | 147.8 | 138.1 | -67.6 | -25 | 0 | 0 | 0 | 125.8 | ||||
| 1345 | L | 38.6 | Very low | 42 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | 97.3 | 78.8 | 141.9 | -103.8 | 35.1 | 0 | 0 | 0 | 122.7 | ||||
| 1346 | V | 38.6 | Very low | 41.6 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | 66.3 | 131.5 | 128.9 | -70.8 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 1347 | N | 39.7 | Very low | 41.4 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | 65.8 | 148.7 | 135 | -63.4 | -9.7 | 0 | 0 | 0 | 120.2 | ||||
| 1348 | A | 38.1 | Very low | 40.9 | Very low | 80 Ų | 80 | 127.4 Ų | 127.4 | 66% | 0.661 | 75% | 0.751 | S | S | * | * | cis | -155.9 | 157.6 | 16 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1349 | S | 39.3 | Very low | 40.9 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | 60.9 | 154.3 | 144.1 | -60.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1350 | S | 40.5 | Very low | 40.4 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | cis | 177.6 | 159.6 | -13.2 | 52.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1351 | N | 40.6 | Very low | 39.7 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | cis | -177.4 | 165.2 | -16.2 | -93.1 | -14.3 | 0 | 0 | 0 | 108.6 | ||||
| 1352 | I | 42.3 | Very low | 39.4 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | 74.3 | 144 | 146.4 | -78 | 162.7 | 0 | 0 | 0 | 117.3 | ||||
| 1353 | T | 38.1 | Very low | 39.7 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | cis | -144 | 165.5 | 19.1 | -20.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1354 | Q | 36.8 | Very low | 39.5 | Very low | 180 Ų | 180 | 127.5 Ų | 127.5 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | trans | -112.2 | -136.8 | 161.1 | -49.5 | 179.7 | -57.2 | 0 | 0 | 108.6 | ||||
| 1355 | P | 48 | Very low | 39.7 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | cis | -115.5 | -132.2 | -5.3 | 24.9 | 3.1 | 0 | 0 | 0 | 110.8 | ||||
| 1356 | N | 41.9 | Very low | 39.7 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | cis | -170.3 | 168.5 | 5 | -151.3 | -5.5 | 0 | 0 | 0 | 113.6 | ||||
| 1357 | L | 38.6 | Very low | 39.7 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | trans | 66.9 | 140.9 | 159.2 | -56.9 | 171.7 | 0 | 0 | 0 | 119.4 | ||||
| 1358 | N | 39.3 | Very low | 39.6 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | cis | 179.4 | 171.6 | -19.2 | -113.5 | 8.8 | 0 | 0 | 0 | 107.3 | ||||
| 1359 | S | 39.5 | Very low | 39.6 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | cis | 179.3 | -169 | -21.1 | 62 | 0 | 0 | 0 | 0 | 107 | ||||
| 1360 | T | 39.3 | Very low | 39.5 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | cis | -174.1 | 156.2 | 7.4 | -166.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1361 | I | 38.3 | Very low | 39.3 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 62% | 0.621 | 73% | 0.73 | S | S | * | * | trans | 65.6 | 146 | 145.4 | -76.6 | 167 | 0 | 0 | 0 | 121.1 | ||||
| 1362 | R | 38.8 | Very low | 38.9 | Very low | 201 Ų | 201 | 126 Ų | 126 | 76% | 0.758 | 74% | 0.735 | S | S | * | * | cis | -160.5 | 166.7 | -12.2 | -102.6 | 171.9 | -150.5 | 163.7 | 6.7 | 107.7 | ||||
| 1363 | S | 42.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | -172.1 | -179.8 | 59.4 | -161.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1364 | C | 34 | Very low | 38.2 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 78% | 0.777 | 73% | 0.733 | S | S | * | * | trans | -134.1 | 166.1 | -133.7 | -57.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1365 | G | 41.3 | Very low | 38 | Very low | 71 Ų | 71 | 120.7 Ų | 120.7 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | trans | -178.2 | 78 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1366 | N | 37.3 | Very low | 37.1 | Very low | 158 Ų | 158 | 123 Ų | 123 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | trans | 27.6 | 125.4 | 141.9 | -73.5 | 8.3 | 0 | 0 | 0 | 119.8 | ||||
| 1367 | T | 38.7 | Very low | 36.9 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | cis | -150.2 | -170.9 | 23.2 | 62.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1368 | H | 39 | Very low | 36.9 | Very low | 150 Ų | 150 | 121.9 Ų | 121.9 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | cis | -156.2 | 176.8 | 6.6 | -128.7 | -40.8 | 0 | 0 | 0 | 111.7 | ||||
| 1369 | N | 36.7 | Very low | 36.3 | Very low | 133 Ų | 133 | 122.6 Ų | 122.6 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | -9.4 | 131.5 | 154.9 | -58.5 | 11.5 | 0 | 0 | 0 | 117.2 | ||||
| 1370 | S | 38.2 | Very low | 35.8 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | cis | -153.5 | 153.5 | 12.7 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1371 | S | 35.8 | Very low | 35.6 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 47.2 | 100.5 | 153.2 | -50.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1372 | A | 33 | Very low | 35.2 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | 69.2 | 133.2 | 73 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 1373 | A | 33.5 | Very low | 35.1 | Very low | 90 Ų | 90 | 123.1 Ų | 123.1 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | cis | -164.5 | 152.6 | -10.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1374 | S | 31.6 | Very low | 34.5 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 56 | 122.5 | 141.9 | -64.9 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1375 | L | 31.7 | Very low | 34.3 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 81.6 | 108.7 | 131.4 | -65.8 | 168 | 0 | 0 | 0 | 122.8 | ||||
| 1376 | L | 30.6 | Very low | 34 | Very low | 158 Ų | 158 | 128 Ų | 128 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | 63.8 | 155.4 | 145.1 | -55.8 | 168.4 | 0 | 0 | 0 | 118.5 | ||||
| 1377 | P | 36.5 | Very low | 33.7 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | cis | -116 | -133.5 | -25.6 | 39.7 | -20.8 | 0 | 0 | 0 | 108.3 | ||||
| 1378 | P | 38 | Very low | 33.5 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | cis | -126.6 | -76.2 | -28.8 | 31.3 | -10.6 | 0 | 0 | 0 | 115.9 | ||||
| 1379 | L | 27.8 | Very low | 33.4 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -152.2 | 171.9 | -164.5 | -80.9 | 161.3 | 0 | 0 | 0 | 110.4 | ||||
| 1380 | L | 29.7 | Very low | 33.1 | Very low | 163 Ų | 163 | 132 Ų | 132 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 74.4 | 147.2 | 176.7 | -48.4 | 166.3 | 0 | 0 | 0 | 114.2 | ||||
| 1381 | T | 34.2 | Very low | 33 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | cis | -157.6 | 152.7 | -13.7 | 13.6 | 0 | 0 | 0 | 0 | 108.5 | T1383 | T1381-T1383 PolarHBondContact O-N 2.71Š| ||
| 1382 | P | 29.7 | Very low | 32.9 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -92 | 91.9 | -172.9 | 35.2 | -34.4 | 0 | 0 | 0 | 114.9 | ||||
| 1383 | T | 36.5 | Very low | 32.9 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -146.6 | 130.4 | 165.9 | -48.4 | 0 | 0 | 0 | 0 | 112.7 | T1381 | T1381-T1383 PolarHBondContact O-N 2.71Š| ||
| 1384 | D | 31.6 | Very low | 32.7 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 38.2 | 108 | 162.1 | -63.6 | -26.1 | 0 | 0 | 0 | 122.4 | ||||
| 1385 | M | 29.8 | Very low | 32.7 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | 177.3 | 159.3 | 110 | -94.1 | -178.6 | -119.4 | 0 | 0 | 110.1 | |||||
| 1386 | A | 33.7 | Very low | 32.5 | Very low | 81 Ų | 81 | 140.3 Ų | 140.3 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | cis | 156.2 | 172.1 | -28.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1387 | I | 30.6 | Very low | 32.3 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 78.1 | 108.8 | 163.3 | -49.4 | 170.3 | 0 | 0 | 0 | 118.4 | ||||
| 1388 | R | 35 | Very low | 31.9 | Very low | 234 Ų | 234 | 142.4 Ų | 142.4 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | 176.8 | 133.7 | 126.2 | -94.8 | -168.2 | 178.7 | 178 | 0.8 | 108.2 | |||||
| 1389 | T | 37.1 | Very low | 31.4 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | cis | -150.5 | 149.6 | -8.4 | 36.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1390 | S | 31.5 | Very low | 31.4 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -96.5 | 159.6 | -178.2 | -39.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1391 | K | 35.5 | Very low | 31.3 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | -179 | 141 | 151.2 | -102.5 | 167.9 | -178.4 | -179.5 | 0 | 109.7 | ||||
| 1392 | T | 33.8 | Very low | 31.3 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | cis | -173.2 | 152.2 | -17.1 | 9.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1393 | I | 32 | Very low | 31.2 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | trans | 70.1 | 139.3 | 149.7 | -69.7 | 164.3 | 0 | 0 | 0 | 115.5 | ||||
| 1394 | S | 30.7 | Very low | 30.7 | Very low | 94 Ų | 94 | 142 Ų | 142 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | cis | -159.4 | 142.1 | 4.5 | 130.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1395 | V | 31.1 | Very low | 30.4 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | trans | 46.6 | 111.1 | 132.6 | -167.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1396 | N | 27 | Very low | 30.2 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | 35.9 | 156.9 | 130.9 | -75.4 | -32.2 | 0 | 0 | 0 | 125.1 | ||||
| 1397 | R | 27.1 | Very low | 29.9 | Very low | 228 Ų | 228 | 143 Ų | 143 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | 86.8 | 98 | 149.8 | -87.4 | -175.9 | -175 | -166.1 | 1.9 | 120.4 | ||||
| 1398 | S | 26.9 | Very low | 29.8 | Very low | 90 Ų | 90 | 143.2 Ų | 143.2 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | 59.9 | 147.2 | 113.5 | 67.1 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1399 | T | 27.5 | Very low | 29.5 | Very low | 121 Ų | 121 | 138 Ų | 138 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | 74.7 | 130.2 | 152.1 | 41.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 1400 | H | 28.8 | Very low | 29.1 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 78% | 0.778 | 73% | 0.727 | S | S | * | * | trans | 60.6 | 107 | 151.7 | -77.1 | -70.4 | 0 | 0 | 0 | 121.5 | ||||
| 1401 | S | 27.5 | Very low | 29.2 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 56% | 0.559 | 72% | 0.719 | S | S | * | * | 10.5 | 124.8 | 120.7 | 58.9 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 1402 | H | 33.7 | Very low | 29.3 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | -162.9 | 135.9 | 110.6 | -104.7 | -67 | 0 | 0 | 0 | 113.9 | |||||
| 1403 | H | 28.2 | Very low | 29.4 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | 35.2 | 121.3 | 141.9 | -79.6 | -36.3 | 0 | 0 | 0 | 123.2 | ||||
| 1404 | C | 25.9 | Very low | 29.6 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 64% | 0.642 | 70% | 0.695 | S | S | * | * | 104.5 | 130.5 | 112.9 | -79.1 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1405 | Y | 25.5 | Very low | 29.8 | Very low | 210 Ų | 210 | 136.3 Ų | 136.3 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | trans | 58.1 | 112.8 | 143.2 | -81.9 | -83.5 | 0 | 0 | 0 | 121.4 | ||||
| 1406 | S | 25.6 | Very low | 30 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 61% | 0.608 | 69% | 0.691 | S | S | * | * | 62 | 131.3 | 123.3 | -82.4 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1407 | N | 26.2 | Very low | 30.3 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 70% | 0.695 | 69% | 0.688 | S | S | * | * | trans | 85.5 | 131.5 | 134.2 | -68.4 | 4.6 | 0 | 0 | 0 | 120.2 | ||||
| 1408 | H | 29.1 | Very low | 30.5 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | trans | 83.6 | 127.7 | 135.5 | -80.1 | -44.2 | 0 | 0 | 0 | 121.9 | ||||
| 1409 | I | 28.5 | Very low | 30.7 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 64% | 0.641 | 68% | 0.682 | S | S | * | * | trans | 82.9 | 96.2 | 133.2 | -66.6 | 168.6 | 0 | 0 | 0 | 117 | ||||
| 1410 | S | 28.5 | Very low | 30.6 | Very low | 92 Ų | 92 | 131 Ų | 131 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | 42.9 | 135.1 | 114.3 | -42.3 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1411 | H | 35.2 | Very low | 30.5 | Very low | 145 Ų | 145 | 132 Ų | 132 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | 179.2 | 148.9 | 89 | -103.5 | -79.3 | 0 | 0 | 0 | 113.6 | |||||
| 1412 | H | 36.3 | Very low | 30.4 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 63% | 0.634 | 68% | 0.681 | S | S | * | * | trans | 54.7 | 140.8 | 156.6 | -64.7 | -63.5 | 0 | 0 | 0 | 119.2 | ||||
| 1413 | H | 37.1 | Very low | 30.1 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 63% | 0.625 | 68% | 0.681 | S | S | * | * | cis | -157 | -178.8 | 1.6 | -116.3 | -43.7 | 0 | 0 | 0 | 107.5 | ||||
| 1414 | H | 36 | Very low | 30.1 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 62% | 0.62 | 68% | 0.678 | S | S | * | * | cis | -125 | -99 | 7.8 | -158.8 | -91.2 | 0 | 0 | 0 | 114 | ||||
| 1415 | Q | 34.5 | Very low | 30.3 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 61% | 0.612 | 69% | 0.687 | S | S | * | * | trans | -153.9 | 164.2 | -170.5 | -68.8 | 172.5 | -32.4 | 0 | 0 | 107.1 | Y1417 | Q1415-Y1417 HydrophobicContact CG-CE2 4.48Š| ||
| 1416 | S | 36.1 | Very low | 30.5 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | cis | -148.6 | 137.4 | 19.6 | 46.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1417 | Y | 32.6 | Very low | 30.7 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 73% | 0.729 | 70% | 0.7 | S | S | * | * | trans | 34.2 | 135.6 | 131.2 | -54.3 | -61 | 0 | 0 | 0 | 119.9 | Q1415 | Q1415-Y1417 HydrophobicContact CG-CE2 4.48Š| ||
| 1418 | L | 31.8 | Very low | 31.1 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | cis | -163.9 | 150.9 | 2.9 | -98.4 | 178.8 | 0 | 0 | 0 | 105.4 | ||||
| 1419 | S | 29.5 | Very low | 31 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | cis | 75.1 | 152.2 | 10.4 | 103.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 1420 | S | 27.1 | Very low | 31.1 | Very low | 84 Ų | 84 | 131.8 Ų | 131.8 | 59% | 0.587 | 71% | 0.706 | S | S | * | * | cis | -165.9 | 148.1 | 13.9 | -118.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1421 | F | 26.2 | Very low | 31 | Very low | 190 Ų | 190 | 137.6 Ų | 137.6 | 83% | 0.833 | 71% | 0.714 | S | S | * | * | trans | 61.9 | 177.9 | 144.1 | -76.6 | -126 | 0 | 0 | 0 | 118.7 | ||||
| 1422 | S | 26.2 | Very low | 30.8 | Very low | 93 Ų | 93 | 137 Ų | 137 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | cis | -176.2 | 172.6 | -46.1 | -167 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1423 | R | 26.9 | Very low | 30.4 | Very low | 203 Ų | 203 | 138 Ų | 138 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | trans | 75.2 | 120.5 | 158.3 | -69.6 | -178 | -179.5 | 179.2 | -0.4 | 121.7 | ||||
| 1424 | N | 28.1 | Very low | 30.1 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | 83.4 | 124.9 | 124 | -65.2 | 13.8 | 0 | 0 | 0 | 122.1 | |||||
| 1425 | N | 28.7 | Very low | 29.8 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | 61 | 115.3 | 134 | -54.3 | 0.2 | 0 | 0 | 0 | 119.4 | ||||
| 1426 | G | 30.9 | Very low | 29.7 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | 176.4 | 66.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1427 | L | 29 | Very low | 29.5 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 91% | 0.911 | 73% | 0.727 | S | S | * | * | trans | -60.3 | 159.1 | 167.6 | -91.5 | 167.6 | 0 | 0 | 0 | 111.3 | ||||
| 1428 | P | 35 | Very low | 29.5 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | -122.6 | 174.6 | -112.9 | 42.5 | -33.7 | 0 | 0 | 0 | 113.6 | |||||
| 1429 | S | 27.6 | Very low | 29.7 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | trans | -172.5 | 137.8 | 142.8 | -93.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1430 | H | 30 | Very low | 30.1 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | 41.4 | 117 | 136.6 | -74.1 | -60.6 | 0 | 0 | 0 | 122.2 | ||||
| 1431 | R | 26.8 | Very low | 30.5 | Very low | 215 Ų | 215 | 140.2 Ų | 140.2 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | 99.5 | 124.5 | 103.6 | -172.6 | -177.1 | -148.5 | -174.8 | 7.9 | 119.8 | |||||
| 1432 | I | 29.6 | Very low | 31 | Very low | 132 Ų | 132 | 137 Ų | 137 | 68% | 0.677 | 72% | 0.715 | S | S | * | * | trans | 86.8 | 100.9 | 153 | -74.6 | 168.4 | 0 | 0 | 0 | 119.7 | ||||
| 1433 | K | 28.8 | Very low | 31.4 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 68% | 0.683 | 72% | 0.721 | S | S | * | * | 53.9 | 141.2 | 125.9 | -58.1 | -177.3 | 158.9 | -160.3 | 0 | 123.8 | |||||
| 1434 | H | 31.1 | Very low | 31.9 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 68% | 0.681 | 73% | 0.725 | S | S | * | * | trans | 69.4 | 156 | 155.3 | -55.9 | -49.1 | 0 | 0 | 0 | 115.4 | ||||
| 1435 | K | 29.8 | Very low | 32 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | cis | -145.7 | 164.7 | 13 | -160.4 | 167.5 | 172.4 | -179.8 | 0 | 113.4 | ||||
| 1436 | E | 31.1 | Very low | 32.3 | Very low | 146 Ų | 146 | 136 Ų | 136 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | trans | -43.1 | 156 | 172.7 | -49.9 | 144 | 115.7 | 0 | 0 | 115.9 | ||||
| 1437 | S | 32.9 | Very low | 32.4 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | 167.8 | 129.8 | 105.4 | -72.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1438 | N | 33.4 | Very low | 32.6 | Very low | 138 Ų | 138 | 144 Ų | 144 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | trans | 62.5 | 156.9 | 134.1 | -64.6 | -5.9 | 0 | 0 | 0 | 120.3 | ||||
| 1439 | N | 35.6 | Very low | 32.5 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | cis | -161.9 | 158.6 | 0.9 | -124.6 | -2.3 | 0 | 0 | 0 | 111.5 | ||||
| 1440 | N | 36.8 | Very low | 32.8 | Very low | 119 Ų | 119 | 143 Ų | 143 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | trans | 55.7 | 149.4 | 138.3 | -64.5 | -0.9 | 0 | 0 | 0 | 120.9 | ||||
| 1441 | N | 36.7 | Very low | 32.8 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | cis | -171.6 | 171.6 | 5 | -120 | -1.7 | 0 | 0 | 0 | 113.7 | ||||
| 1442 | N | 37 | Very low | 33.1 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 65% | 0.652 | 75% | 0.747 | S | S | * | * | trans | 72.5 | 106.4 | 144.8 | -65.7 | -7 | 0 | 0 | 0 | 123.1 | ||||
| 1443 | N | 33.2 | Very low | 33 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | 35.9 | 132.7 | 111 | -61.5 | -5.2 | 0 | 0 | 0 | 121.4 | |||||
| 1444 | S | 37.2 | Very low | 33.2 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | -169.4 | 156 | 99.3 | 31.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1445 | N | 31.5 | Very low | 33.2 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | trans | -91.2 | 162.7 | -179.5 | -62 | -29.9 | 0 | 0 | 0 | 112.3 | ||||
| 1446 | S | 35 | Very low | 33.2 | Very low | 125 Ų | 125 | 140 Ų | 140 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -153.4 | 162.6 | 137 | -160.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1447 | Q | 31.7 | Very low | 33.2 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -130.1 | 145.9 | -168.2 | -59.5 | 166.1 | -84.1 | 0 | 0 | 112.8 | ||||
| 1448 | R | 33.3 | Very low | 33 | Very low | 246 Ų | 246 | 140.3 Ų | 140.3 | 93% | 0.928 | 76% | 0.755 | S | S | * | * | trans | -169.4 | 120 | 148 | -109.8 | 171.9 | 175.3 | 179.7 | -3.2 | 107.8 | ||||
| 1449 | A | 32.5 | Very low | 32.8 | Very low | 86 Ų | 86 | 139 Ų | 139 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | 94.5 | 147.1 | 18.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1450 | S | 34.1 | Very low | 32.6 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | 64.9 | 96.2 | 176 | 60.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1451 | N | 29.6 | Very low | 32.5 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | 40.4 | 133.6 | 116.1 | -49.1 | 11.9 | 0 | 0 | 0 | 120.5 | |||||
| 1452 | E | 34 | Very low | 32.3 | Very low | 204 Ų | 204 | 140.9 Ų | 140.9 | 95% | 0.953 | 76% | 0.764 | S | S | * | * | -141.6 | 165.2 | 117.1 | -135.4 | 161.9 | -144.2 | 0 | 0 | 110 | |||||
| 1453 | E | 27.3 | Very low | 32.2 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -140.3 | -171.4 | -161.7 | -169.6 | 176 | -163.4 | 0 | 0 | 109.5 | ||||
| 1454 | I | 33.4 | Very low | 32.3 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | trans | 86.4 | 94.5 | 159.9 | -55.1 | 172.1 | 0 | 0 | 0 | 117.7 | ||||
| 1455 | Q | 30.1 | Very low | 32.2 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | 59.9 | 155.7 | 125.6 | -54.9 | 175.8 | 0.8 | 0 | 0 | 123.8 | |||||
| 1456 | N | 31.4 | Very low | 32.3 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | trans | 81.8 | 113 | 146.4 | -63.1 | -34 | 0 | 0 | 0 | 121.2 | ||||
| 1457 | N | 29.6 | Very low | 32.2 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | 67.1 | 106.7 | 125 | -61 | -16.5 | 0 | 0 | 0 | 121.3 | |||||
| 1458 | S | 28.6 | Very low | 32.4 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | 99.2 | 156.8 | 111.1 | 79.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1459 | T | 30.6 | Very low | 32.4 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | trans | 88.3 | 103.7 | 147.9 | -51.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1460 | L | 30.7 | Very low | 32.5 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | trans | 42.2 | 139.9 | 134.9 | -50.4 | 174.4 | 0 | 0 | 0 | 119.1 | ||||
| 1461 | M | 34.4 | Very low | 32.4 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 85% | 0.847 | 73% | 0.727 | S | S | * | * | cis | -145.3 | 148.2 | 45.3 | -56 | -173.2 | 75.3 | 0 | 0 | 110.4 | ||||
| 1462 | S | 33.1 | Very low | 32.5 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 51% | 0.51 | 73% | 0.726 | S | S | . | * | cis | 87.5 | 96.4 | 24.9 | 83.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1463 | D | 35.8 | Very low | 32.3 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | -157.7 | 124 | 128 | -99.2 | -33.8 | 0 | 0 | 0 | 108.3 | |||||
| 1464 | S | 34.6 | Very low | 32.6 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | 89 | 123.7 | 66.9 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1465 | T | 34.8 | Very low | 32.5 | Very low | 124 Ų | 124 | 128 Ų | 128 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | cis | -152.3 | 148.2 | 27.4 | 50.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 1466 | S | 33.6 | Very low | 32.6 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | trans | 28.1 | 141 | 141.7 | 65.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1467 | S | 34 | Very low | 32.4 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | cis | -174 | 176.8 | 25.5 | -113.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1468 | S | 34 | Very low | 32.4 | Very low | 92 Ų | 92 | 132 Ų | 132 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | cis | 175.5 | 147.4 | -29.3 | -87.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1469 | K | 35.3 | Very low | 32.6 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | trans | 68.3 | 149.8 | 156 | -67.3 | 169.5 | 154.4 | -93.8 | 0 | 118.4 | ||||
| 1470 | E | 33.9 | Very low | 32.6 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 65% | 0.654 | 73% | 0.73 | S | S | * | * | cis | -167.8 | 166.8 | -9.9 | -109.6 | 158 | 167.9 | 0 | 0 | 107.7 | ||||
| 1471 | T | 31.5 | Very low | 32.6 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | cis | -178.4 | 175.5 | -28.7 | -86.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1472 | L | 32.4 | Very low | 32.3 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | 80.3 | 128.8 | -176.9 | -62.3 | 103.7 | 0 | 0 | 0 | 114.7 | ||||
| 1473 | E | 28.5 | Very low | 32.1 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 84% | 0.841 | 73% | 0.73 | S | S | * | * | cis | 86.4 | 135.2 | 23.1 | -57.6 | -164.5 | 136.2 | 0 | 0 | 117.3 | ||||
| 1474 | G | 33.8 | Very low | 31.8 | Very low | 72 Ų | 72 | 132.7 Ų | 132.7 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | trans | 132.4 | 64.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1475 | H | 31.8 | Very low | 31.7 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | 64.7 | 123.9 | 69.9 | -116.9 | -61.9 | 0 | 0 | 0 | 115.7 | |||||
| 1476 | R | 31.7 | Very low | 31.4 | Very low | 233 Ų | 233 | 134.4 Ų | 134.4 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | trans | 110.1 | 139.9 | 168.3 | -63.6 | 168.4 | -169.7 | -121.5 | 1.2 | 115.5 | ||||
| 1477 | S | 27.7 | Very low | 31.3 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 56% | 0.559 | 75% | 0.749 | S | S | * | * | cis | 131.5 | 146.1 | -17 | 63 | 0 | 0 | 0 | 0 | 113 | ||||
| 1478 | F | 29.8 | Very low | 31.1 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | 70.5 | 141.3 | 178 | -57.2 | -89.8 | 0 | 0 | 0 | 113.7 | ||||
| 1479 | D | 32.2 | Very low | 30.7 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -149.4 | 158.7 | -7.4 | -91.8 | -28.1 | 0 | 0 | 0 | 108.8 | ||||
| 1480 | E | 31.8 | Very low | 30.4 | Very low | 145 Ų | 145 | 134 Ų | 134 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | cis | 78.4 | 156.8 | 49.5 | -91.9 | -75.1 | 173 | 0 | 0 | 115.2 | ||||
| 1481 | E | 29.7 | Very low | 30.3 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 69.2 | 141.9 | -175 | -67.3 | -156.9 | 141.7 | 0 | 0 | 120 | ||||
| 1482 | F | 28.3 | Very low | 30.1 | Very low | 166 Ų | 166 | 134 Ų | 134 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | cis | -158.1 | 169.4 | -28 | -153.9 | -111.1 | 0 | 0 | 0 | 113.4 | ||||
| 1483 | C | 29.7 | Very low | 30 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 57% | 0.568 | 74% | 0.736 | S | S | * | * | trans | -66.5 | 160.7 | -167.3 | -51.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1484 | G | 29.3 | Very low | 29.9 | Very low | 68 Ų | 68 | 128.9 Ų | 128.9 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | trans | 134.3 | 146.2 | 138.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1485 | S | 32.1 | Very low | 29.7 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 92% | 0.916 | 73% | 0.727 | S | S | * | * | cis | -157.8 | 165.5 | -6.8 | -91.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1486 | S | 29.4 | Very low | 29.6 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 88% | 0.881 | 73% | 0.727 | S | S | * | * | trans | -91.9 | 148.6 | -170.6 | 57.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1487 | G | 30.5 | Very low | 29.4 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | trans | 140.9 | 145.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1488 | G | 28.9 | Very low | 29.4 | Very low | 68 Ų | 68 | 126.7 Ų | 126.7 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | cis | 155.4 | 138 | -9.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1489 | E | 27.5 | Very low | 29.5 | Very low | 163 Ų | 163 | 125.6 Ų | 125.6 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | trans | 68.5 | 156.4 | 165.4 | -51.7 | -155.7 | 135.2 | 0 | 0 | 117.5 | ||||
| 1490 | K | 28.4 | Very low | 29.3 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 64% | 0.635 | 72% | 0.719 | S | S | * | * | cis | -164.7 | 154.9 | -22.2 | -112.1 | 169.1 | 176.9 | 160.5 | 0 | 111.1 | ||||
| 1491 | H | 30.7 | Very low | 29.2 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | trans | 58.7 | 138.2 | 147.6 | -76.7 | -66.2 | 0 | 0 | 0 | 124.2 | ||||
| 1492 | N | 27.7 | Very low | 29.3 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 55% | 0.551 | 71% | 0.712 | S | S | * | * | trans | 54.1 | 120.5 | 136.1 | -62.7 | 28.9 | 0 | 0 | 0 | 119.5 | ||||
| 1493 | S | 30.7 | Very low | 29.5 | Very low | 91 Ų | 91 | 118.8 Ų | 118.8 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | cis | 81.2 | 111.3 | 46.2 | 79.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1494 | E | 27.4 | Very low | 29.6 | Very low | 133 Ų | 133 | 120.3 Ų | 120.3 | 62% | 0.621 | 72% | 0.72 | S | S | * | * | trans | -160.5 | -175.9 | 144.5 | -121.5 | 168 | -169.6 | 0 | 0 | 110.8 | T911 | T911-E1494 PolarHBondContact N-OE1 2.71Å; T911-E1494 PolarHBondContact OG1-OE1 3Å | ||
| 1495 | L | 29.5 | Very low | 29.8 | Very low | 146 Ų | 146 | 122 Ų | 122 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | trans | -113.5 | 169.5 | -155.4 | -73.6 | 103.1 | 0 | 0 | 0 | 116.6 | ||||
| 1496 | E | 27.9 | Very low | 29.7 | Very low | 174 Ų | 174 | 122.4 Ų | 122.4 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | trans | 85.2 | 146.7 | 136.2 | -101.3 | -174.9 | 176.6 | 0 | 0 | 122.4 | ||||
| 1497 | S | 28 | Very low | 29.8 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 79% | 0.79 | 70% | 0.702 | S | S | * | * | trans | 70.5 | 154.4 | 163.3 | 87.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1498 | S | 27.9 | Very low | 30.2 | Very low | 83 Ų | 83 | 124.4 Ų | 124.4 | 58% | 0.58 | 69% | 0.691 | S | S | * | * | cis | -166.7 | 162 | -25.6 | 49.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1499 | H | 31.6 | Very low | 30.4 | Very low | 158 Ų | 158 | 125.1 Ų | 125.1 | 73% | 0.731 | 69% | 0.685 | S | S | * | * | trans | 64.6 | 165.9 | 163.3 | -58.8 | -45.3 | 0 | 0 | 0 | 115.8 | ||||
| 1500 | Q | 28.7 | Very low | 30.7 | Very low | 144 Ų | 144 | 121.9 Ų | 121.9 | 67% | 0.673 | 67% | 0.673 | S | S | * | * | cis | -162.5 | 160.3 | -27.4 | -111.2 | 175.2 | 6.1 | 0 | 0 | 107.6 | ||||
| 1501 | T | 30.6 | Very low | 30.9 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | trans | 63 | 157.3 | 154.2 | 53.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1502 | S | 30.9 | Very low | 30.9 | Very low | 87 Ų | 87 | 116.3 Ų | 116.3 | 61% | 0.608 | 65% | 0.649 | S | S | * | * | cis | -170 | 155.4 | -17.2 | -101.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1503 | T | 32.3 | Very low | 30.9 | Very low | 122 Ų | 122 | 115 Ų | 115 | 75% | 0.748 | 65% | 0.647 | S | S | * | * | trans | 62.9 | 149.3 | 144.2 | 58 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1504 | T | 32.3 | Very low | 30.9 | Very low | 116 Ų | 116 | 116.1 Ų | 116.1 | 71% | 0.712 | 65% | 0.646 | S | S | * | * | cis | -166.9 | 168.9 | -1.8 | 14.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1505 | T | 33 | Very low | 31 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 64% | 0.644 | 65% | 0.652 | S | S | * | * | trans | 73.3 | 106.1 | 143.4 | 46.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1506 | N | 31 | Very low | 31 | Very low | 139 Ų | 139 | 114 Ų | 114 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | 71.9 | 109.9 | 117 | -57.2 | 7.4 | 0 | 0 | 0 | 122.9 | |||||
| 1507 | E | 31.4 | Very low | 31 | Very low | 155 Ų | 155 | 114.9 Ų | 114.9 | 72% | 0.724 | 64% | 0.641 | S | S | * | * | 40.2 | 157.6 | 100.2 | -76.3 | -145.9 | 132.6 | 0 | 0 | 122.6 | |||||
| 1508 | P | 39 | Very low | 31.2 | Very low | 96 Ų | 96 | 112.9 Ų | 112.9 | 62% | 0.623 | 64% | 0.639 | S | S | * | * | cis | -148.3 | -176.1 | -35.1 | 41.3 | -22.7 | 0 | 0 | 0 | 115.9 | ||||
| 1509 | S | 32.6 | Very low | 31.3 | Very low | 83 Ų | 83 | 118.4 Ų | 118.4 | 58% | 0.58 | 65% | 0.652 | S | S | * | * | trans | 94.7 | 141.8 | 139 | 86.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1510 | N | 32.5 | Very low | 31.2 | Very low | 95 Ų | 95 | 116.5 Ų | 116.5 | 51% | 0.508 | 65% | 0.652 | S | S | . | * | trans | 73.7 | 121 | 139.8 | -79.1 | -51.7 | 0 | 0 | 0 | 123.1 | N702 | N702-N1510 WeakPolarHBondContact O-CA 3.34Å; N702-N1510 PolarHBondContact O-N 2.78Å; N702-N1510 VanDerWaalsContact O-N 3.14Å | ||
| 1511 | K | 32.5 | Very low | 31.3 | Very low | 116 Ų | 116 | 118 Ų | 118 | 50% | 0.504 | 66% | 0.656 | S | S | . | * | 69.2 | 146.1 | 129.9 | -61.4 | -173.9 | -174.1 | -162.8 | 0 | 118.6 | R699 P700 | R699-K1511 WeakPolarHBondContact O-CE 3.5Å; R699-K1511 PolarHBondContact O-NZ 3.42Å; P700-K1511 WeakPolarHBondContact O-CG 3.45Å | |||
| 1512 | N | 30.9 | Very low | 31.2 | Very low | 60 Ų | 60 | 119.4 Ų | 119.4 | 32% | 0.321 | 66% | 0.658 | S | S | . | * | cis | -151.6 | -173.7 | -3.2 | -137 | -70.2 | 0 | 0 | 0 | 112.3 | R699 P700 | R699-N1512 VanDerWaalsContact CD-OD1 3.28Å; R699-N1512 WeakPolarHBondContact CD-OD1 3.48Å; R699-N1512 WeakPolarHBondContact CG-OD1 3.45Å; R699-N1512 PolarHBondContact NE-OD1 2.77Å; P700-N1512 PolarHBondContact O-ND2 2.87Å | ||
| 1513 | C | 29.1 | Very low | 31.3 | Very low | 76 Ų | 76 | 120.5 Ų | 120.5 | 51% | 0.514 | 67% | 0.665 | S | S | . | * | trans | -53.5 | 156.9 | 169 | -46.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1514 | D | 30.3 | Very low | 31.3 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 62% | 0.615 | 67% | 0.667 | S | S | * | * | 160.7 | 124.1 | 118.3 | -80.9 | -26.9 | 0 | 0 | 0 | 115.4 | R699 | R699-D1514 IonicContact CZ-OD1 3.7Å; R699-D1514 IonicContact CZ-OD2 3.22Å; R699-D1514 IonicContact NH1-OD1 3.89Å; R699-D1514 IonicContact NH1-OD2 2.71Å; R699-D1514 PolarHBondContact NH1-OD2 3.38Å; R699-D1514 IonicContact NH2-OD1 2.71Å; R699-D1514 PolarHBondContact NH2-OD1 3.14Å; R699-D1514 IonicContact NH2-OD2 2.83Å; R699-D1514 PolarHBondContact NH2-OD2 2.78Å | |||
| 1515 | D | 29.9 | Very low | 31.6 | Very low | 137 Ų | 137 | 120.2 Ų | 120.2 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | 73.4 | 150.7 | 126.2 | -134.6 | 12.2 | 0 | 0 | 0 | 124.7 | |||||
| 1516 | N | 28.6 | Very low | 31.5 | Very low | 96 Ų | 96 | 121.1 Ų | 121.1 | 51% | 0.513 | 66% | 0.661 | S | S | . | * | trans | 72.4 | 108.5 | 152.9 | -71.1 | -54.7 | 0 | 0 | 0 | 125.2 | ||||
| 1517 | K | 28.6 | Very low | 31.5 | Very low | 193 Ų | 193 | 121.5 Ų | 121.5 | 84% | 0.839 | 66% | 0.663 | S | S | * | * | 62.7 | 110.4 | 121.5 | -63.4 | 170.6 | 179.9 | 122.1 | 0 | 120.6 | |||||
| 1518 | G | 31.6 | Very low | 31.6 | Very low | 72 Ų | 72 | 118.8 Ų | 118.8 | 74% | 0.742 | 66% | 0.661 | S | S | * | * | trans | -179.8 | 68.3 | 160 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1519 | K | 29.5 | Very low | 31.3 | Very low | 198 Ų | 198 | 120 Ų | 120 | 86% | 0.861 | 67% | 0.666 | S | S | * | * | 73.8 | 121.4 | 100.7 | -95.2 | -165.7 | 172.1 | -179.3 | 0 | 116.5 | |||||
| 1520 | V | 29.2 | Very low | 31.3 | Very low | 119 Ų | 119 | 120.5 Ų | 120.5 | 72% | 0.721 | 67% | 0.67 | S | S | * | * | trans | 71.8 | 136.2 | 138 | 177.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1521 | K | 31.1 | Very low | 31.3 | Very low | 174 Ų | 174 | 123.3 Ų | 123.3 | 76% | 0.757 | 68% | 0.68 | S | S | * | * | cis | -134 | 151.1 | 13.4 | -122.6 | 141.9 | 180 | -169.5 | 0 | 108.2 | ||||
| 1522 | L | 28.9 | Very low | 31.2 | Very low | 153 Ų | 153 | 124.3 Ų | 124.3 | 80% | 0.801 | 69% | 0.69 | S | S | * | * | 37.5 | 136.6 | 98.6 | -68.5 | 110.8 | 0 | 0 | 0 | 115.6 | |||||
| 1523 | S | 32.1 | Very low | 31.3 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | cis | -164.4 | 160.4 | 6 | 48.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1524 | N | 33 | Very low | 31.7 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 78% | 0.781 | 70% | 0.697 | S | S | * | * | trans | -65.1 | -174.5 | 152.7 | -136.6 | 34 | 0 | 0 | 0 | 109.7 | ||||
| 1525 | P | 39.6 | Very low | 32.1 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 57% | 0.565 | 70% | 0.704 | S | S | * | * | cis | -147.1 | -163 | 7.7 | 40.1 | -15.9 | 0 | 0 | 0 | 116.2 | ||||
| 1526 | D | 29.9 | Very low | 32.5 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | trans | 71.2 | 134.8 | 135.2 | -73.3 | -9.5 | 0 | 0 | 0 | 125.5 | ||||
| 1527 | N | 30.5 | Very low | 32.7 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 78% | 0.781 | 71% | 0.713 | S | S | * | * | trans | 64.5 | 140.8 | 140.4 | -65.3 | -38.8 | 0 | 0 | 0 | 119.1 | ||||
| 1528 | S | 33.6 | Very low | 32.9 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | cis | -164.4 | 147.6 | 34.5 | 50.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1529 | T | 33.4 | Very low | 33.4 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | trans | 55.8 | 112.7 | 141.5 | 56.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1530 | S | 32.2 | Very low | 33.5 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 66% | 0.664 | 70% | 0.699 | S | S | * | * | 82.8 | 154.4 | 122 | 84.6 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1531 | H | 32.8 | Very low | 33.6 | Very low | 153 Ų | 153 | 122.4 Ų | 122.4 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | cis | -152.4 | 133 | 13.4 | -114.8 | -52.4 | 0 | 0 | 0 | 112.5 | ||||
| 1532 | L | 31.5 | Very low | 33.5 | Very low | 137 Ų | 137 | 120.2 Ų | 120.2 | 72% | 0.717 | 70% | 0.701 | S | S | * | * | trans | 62.9 | 142.2 | 149.7 | -38.8 | 175.3 | 0 | 0 | 0 | 120.9 | ||||
| 1533 | Y | 32.9 | Very low | 33.5 | Very low | 126 Ų | 126 | 118.5 Ų | 118.5 | 49% | 0.494 | 70% | 0.697 | S | S | . | * | cis | -153.9 | -179.8 | -9.8 | -136.6 | -105.4 | 0 | 0 | 0 | 114.2 | A340 F341 S342 | A340-Y1533 PolarHBondContact O-OH 3.41Å; F341-Y1533 VanDerWaalsContact C-CE1 3.47Å; F341-Y1533 PolarHBondContact N-OH 3.09Å; F341-Y1533 WeakPolarHBondContact O-CE1 3.21Å; F341-Y1533 PolarHBondContact O-OH 2.84Å; S342-Y1533 WeakPolarHBondContact O-CD1 3.35Å | ||
| 1534 | E | 36.6 | Very low | 33.3 | Very low | 103 Ų | 103 | 118.4 Ų | 118.4 | 48% | 0.481 | 69% | 0.692 | S | S | . | * | trans | -45.3 | 163.1 | -175.3 | -68.3 | 168.7 | -171.1 | 0 | 0 | 117.9 | F341 S342 | F341-E1534 PolarHBondContact N-OE1 3.37Å; S342-E1534 PolarHBondContact N-OE2 3.37Å; S342-E1534 VanDerWaalsContact N-OE2 3.17Å | ||
| 1535 | G | 39 | Very low | 33.2 | Very low | 74 Ų | 74 | 116.9 Ų | 116.9 | 76% | 0.763 | 69% | 0.688 | S | S | * | * | cis | 132.7 | 169.6 | 7.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1536 | V | 37.5 | Very low | 32.6 | Very low | 112 Ų | 112 | 119 Ų | 119 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | cis | -158.7 | 175.2 | -7.6 | -161 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1537 | N | 33.3 | Very low | 32.7 | Very low | 143 Ų | 143 | 119.5 Ų | 119.5 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | trans | 82.7 | 120.2 | 163.8 | -45.9 | -40.1 | 0 | 0 | 0 | 117 | ||||
| 1538 | N | 33 | Very low | 32.7 | Very low | 149 Ų | 149 | 120.7 Ų | 120.7 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | cis | 70.3 | 151 | -1.1 | -120.1 | 25.4 | 0 | 0 | 0 | 117.1 | ||||
| 1539 | P | 41.7 | Very low | 32.5 | Very low | 89 Ų | 89 | 122 Ų | 122 | 58% | 0.578 | 69% | 0.694 | S | S | * | * | -141.1 | -165.5 | -63.3 | 40 | -22.4 | 0 | 0 | 0 | 114.1 | |||||
| 1540 | T | 30.8 | Very low | 32.4 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | trans | 73.5 | 162.2 | 150.3 | 49.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1541 | S | 31.9 | Very low | 32.1 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | 67.9 | 119.5 | 174.3 | 57.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1542 | T | 29.2 | Very low | 32 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | cis | 86.2 | 136.1 | 47.5 | -48.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1543 | T | 29.1 | Very low | 32 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | trans | 90.3 | 128.4 | 155.5 | 6.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1544 | T | 29 | Very low | 32 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 66% | 0.663 | 72% | 0.716 | S | S | * | * | trans | 60 | 104.8 | 144.7 | 42 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1545 | T | 29.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | 74.2 | 153.5 | 122.9 | 64.6 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1546 | N | 28.2 | Very low | 31.7 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | 107.4 | 133.2 | 130.2 | -97.9 | -37.5 | 0 | 0 | 0 | 118.6 | ||||
| 1547 | L | 31.5 | Very low | 31.6 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | trans | 71.1 | 92.6 | 148.5 | -62.1 | 167.2 | 0 | 0 | 0 | 119.3 | ||||
| 1548 | K | 29.6 | Very low | 31.7 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | 75.9 | 139 | 104.6 | -103.4 | -173.1 | 171.7 | -178.3 | 0 | 120.8 | |||||
| 1549 | L | 29.9 | Very low | 31.8 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 67% | 0.665 | 74% | 0.742 | S | S | * | * | trans | 82.7 | 123.8 | 144.4 | -64.6 | 165.3 | 0 | 0 | 0 | 119.6 | ||||
| 1550 | N | 31.4 | Very low | 31.4 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | trans | 68.2 | 102.7 | 133.6 | -58.9 | 15.3 | 0 | 0 | 0 | 120.1 | ||||
| 1551 | E | 26.7 | Very low | 31.7 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | 37.6 | 110.5 | 93.2 | -158.8 | -169.6 | -143.7 | 0 | 0 | 116.8 | |||||
| 1552 | I | 30.1 | Very low | 31.8 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | 168.1 | 139.1 | 125.8 | -86.5 | 160.7 | 0 | 0 | 0 | 110.1 | |||||
| 1553 | D | 30.5 | Very low | 32 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | -62.1 | 167.5 | 172.8 | -91.3 | -63.6 | 0 | 0 | 0 | 114.6 | ||||
| 1554 | I | 34.7 | Very low | 32.2 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | -175.2 | 144.3 | 122.1 | -94.2 | 152.5 | 0 | 0 | 0 | 112.2 | |||||
| 1555 | N | 33.9 | Very low | 32.3 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | trans | -86.3 | 158.6 | -176.9 | -96.4 | -87.1 | 0 | 0 | 0 | 114.7 | ||||
| 1556 | G | 34.6 | Very low | 32.5 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | trans | -155.2 | 135.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1557 | K | 34.8 | Very low | 33 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -133.9 | 144.4 | -176 | -77.9 | -178.7 | 175.7 | 174.8 | 0 | 113.2 | ||||
| 1558 | S | 35 | Very low | 33.2 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -171.8 | 125.7 | 147.3 | -81.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1559 | R | 35.2 | Very low | 33.5 | Very low | 227 Ų | 227 | 137.2 Ų | 137.2 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | 69.7 | 136.5 | 72.4 | -79.1 | -166 | 172.4 | -177.6 | -0.3 | 113.9 | |||||
| 1560 | S | 35.2 | Very low | 33.6 | Very low | 85 Ų | 85 | 138 Ų | 138 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | cis | -176.7 | 173.1 | -5.4 | 46.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1561 | I | 35.3 | Very low | 33.8 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | 78.1 | 140.3 | 171.3 | -48.5 | 150.4 | 0 | 0 | 0 | 112.3 | ||||
| 1562 | G | 34.9 | Very low | 34 | Very low | 68 Ų | 68 | 142.4 Ų | 142.4 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | 165.5 | 167.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1563 | S | 34.2 | Very low | 34.2 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | cis | -162 | 131.8 | -2.7 | 51.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1564 | E | 31.9 | Very low | 34.4 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | 66.3 | 118.5 | 105.5 | -158.4 | 179.6 | -104.8 | 0 | 0 | 117.1 | |||||
| 1565 | L | 32.2 | Very low | 34.4 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | trans | 151.4 | 117.6 | 134.2 | -80.4 | 168.6 | 0 | 0 | 0 | 115.2 | ||||
| 1566 | L | 33.6 | Very low | 34.4 | Very low | 150 Ų | 150 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | 62.2 | 152.5 | 143.3 | -51.6 | 176.6 | 0 | 0 | 0 | 119.7 | ||||
| 1567 | T | 37 | Very low | 34.4 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | cis | -152.1 | 166.3 | 6 | -14.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1568 | N | 36.1 | Very low | 34.4 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -60.1 | 154.2 | -179 | -52.4 | -20.1 | 0 | 0 | 0 | 116.5 | ||||
| 1569 | G | 36.2 | Very low | 34.3 | Very low | 76 Ų | 76 | 143.8 Ų | 143.8 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | -154.3 | 144.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1570 | N | 33.3 | Very low | 34.3 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -106.9 | 174.3 | -167.8 | -99 | 23 | 0 | 0 | 0 | 113.9 | ||||
| 1571 | D | 34 | Very low | 34.2 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | trans | 73.2 | 93.6 | 157.1 | -52.9 | -33.8 | 0 | 0 | 0 | 118.2 | ||||
| 1572 | H | 31.6 | Very low | 34.1 | Very low | 245 Ų | 245 | 138.9 Ų | 138.9 | 100% | 1.134 | 80% | 0.804 | S | S | * | * | -154.6 | 0 | 99.3 | -129.6 | -47.2 | 0 | 0 | 0 | 115.7 |
Retrieved 1,572 of 1,572 residues in 214.2 ms
(Link to these results)