| 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 | 32.6 | Very low | 34.5 | Very low | 247 Ų | 247 | 157.7 Ų | 157.7 | 100% | 1.217 | 85% | 0.854 | S | S | * | * | 0 | 79.3 | 0 | -82.6 | -176.7 | -99.3 | 0 | 0 | 108.7 | |||||
| 2 | I | 34.2 | Very low | 34.2 | Very low | 172 Ų | 172 | 158.3 Ų | 158.3 | 88% | 0.882 | 86% | 0.857 | S | S | * | * | trans | -129.4 | 71.5 | 177 | -139.1 | 163.3 | 0 | 0 | 0 | 106.8 | ||||
| 3 | C | 34 | Very low | 34.2 | Very low | 119 Ų | 119 | 158.5 Ų | 158.5 | 80% | 0.804 | 85% | 0.854 | S | S | * | * | trans | -131.6 | 25.5 | -174.9 | -63.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 4 | D | 33.3 | Very low | 34.1 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 86% | 0.861 | 84% | 0.844 | S | S | * | * | trans | -119.5 | 51.5 | 177.7 | -75.6 | -21.6 | 0 | 0 | 0 | 112.3 | ||||
| 5 | V | 41.6 | Very low | 34.2 | Very low | 133 Ų | 133 | 149 Ų | 149 | 81% | 0.806 | 84% | 0.837 | S | S | * | * | trans | -153.4 | 87.8 | 158.9 | -166.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 6 | M | 31.2 | Very low | 34 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | trans | -140.1 | 106.9 | 150.8 | -86 | -159.1 | 74.3 | 0 | 0 | 109 | T8 | M6-T8 PolarHBondContact O-N 3.06Š| ||
| 7 | P | 39.8 | Very low | 33.9 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 116.3 | 176.5 | 29.2 | -27.8 | 0 | 0 | 0 | 109.7 | I9 | P7-I9 PolarHBondContact O-N 3.42Š|
| 8 | T | 35.6 | Very low | 33.6 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 82% | 0.816 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 119.5 | 169.8 | 24.8 | 0 | 0 | 0 | 0 | 110.6 | M6 | M6-T8 PolarHBondContact O-N 3.06Š|
| 9 | I | 31.8 | Very low | 33.3 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 120 | 172.6 | -59.3 | 171.9 | 0 | 0 | 0 | 107 | P7 E11 | P7-I9 PolarHBondContact O-N 3.42Å; I9-E11 PolarHBondContact O-N 3.15Å |
| 10 | N | 31.8 | Very low | 33.1 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 121.3 | 175.9 | -78.5 | 4.3 | 0 | 0 | 0 | 110.1 | D12 | N10-D12 PolarHBondContact O-N 3.27Š|
| 11 | E | 33.2 | Very low | 33 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -78.7 | 106.3 | 170 | -63.4 | 178.8 | 170.9 | 0 | 0 | 109.3 | I9 | I9-E11 PolarHBondContact O-N 3.15Š| ||
| 12 | D | 31.7 | Very low | 32.8 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -124.8 | 88.7 | 163.6 | -116.3 | -17.2 | 0 | 0 | 0 | 107.3 | N10 | N10-D12 PolarHBondContact O-N 3.27Š| ||
| 13 | I | 34.2 | Very low | 32.6 | Very low | 161 Ų | 161 | 144 Ų | 144 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -91.6 | 99.6 | 178.7 | -66.4 | 168.1 | 0 | 0 | 0 | 107.9 | ||||
| 14 | G | 32.8 | Very low | 32.5 | Very low | 69 Ų | 69 | 143.5 Ų | 143.5 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -106.9 | 99.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 15 | S | 35 | Very low | 32.4 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | 33.4 | 105.8 | 147.4 | 60 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 16 | Q | 30.6 | Very low | 32.2 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | 34.1 | 124.2 | 124.6 | -134.4 | 88.6 | -3 | 0 | 0 | 120.6 | |||||
| 17 | G | 32.5 | Very low | 32.6 | Very low | 76 Ų | 76 | 136 Ų | 136 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -174.3 | 64.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 18 | D | 29.1 | Very low | 32.9 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | 67.5 | 133.3 | 141.8 | -113.1 | -1.5 | 0 | 0 | 0 | 125 | ||||
| 19 | R | 27.9 | Very low | 33.7 | Very low | 217 Ų | 217 | 135.9 Ų | 135.9 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | trans | 88.2 | 88.4 | 154.8 | -68.7 | -169.4 | 166.5 | -172.5 | -4.3 | 121 | S21 | R19-S21 PolarHBondContact O-N 2.94Å; R19-S21 VanDerWaalsContact O-N 3.15Å | ||
| 20 | D | 29.2 | Very low | 35.3 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | -10.9 | 98.5 | 125.5 | -67.1 | -37.5 | 0 | 0 | 0 | 115.5 | |||||
| 21 | S | 30.8 | Very low | 37.4 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -174.4 | 71.7 | 151.2 | 163.6 | 0 | 0 | 0 | 0 | 108.7 | R19 | R19-S21 PolarHBondContact O-N 2.94Å; R19-S21 VanDerWaalsContact O-N 3.15Å | ||
| 22 | L | 27.8 | Very low | 39.6 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -166 | 78.7 | 153.3 | -100.8 | 147.8 | 0 | 0 | 0 | 107.7 | ||||
| 23 | V | 30.6 | Very low | 41.7 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | -58.6 | 134.8 | 156.7 | 170.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 24 | S | 32.4 | Very low | 43.6 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | 88 | 76.8 | 172.7 | -52.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 25 | A | 31.8 | Very low | 46 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -149.7 | 111 | 137.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | G27 | A25-G27 PolarHBondContact O-N 3.13Å; A25-G27 VanDerWaalsContact O-N 3.15Å | ||
| 26 | D | 36.2 | Very low | 48.2 | Very low | 166 Ų | 166 | 124.7 Ų | 124.7 | 89% | 0.888 | 72% | 0.716 | S | S | * | * | trans | -48.6 | 110.5 | -174.1 | -61.1 | -53.8 | 0 | 0 | 0 | 112.9 | T28 | D26-T28 PolarHBondContact O-N 3.39Š| ||
| 27 | G | 39.7 | Very low | 50.2 | Low | 55 Ų | 55 | 122.2 Ų | 122.2 | 57% | 0.567 | 71% | 0.706 | S | S | * | * | trans | -75.8 | 109.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | A25 N29 | A25-G27 PolarHBondContact O-N 3.13Å; A25-G27 VanDerWaalsContact O-N 3.15Å; G27-N29 PolarHBondContact O-N 2.88Å; G27-N29 PolarHBondContact O-OD1 3.4Å | ||
| 28 | T | 46.2 | Very low | 52.5 | Low | 134 Ų | 134 | 122.8 Ų | 122.8 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | -60 | 98 | 167.2 | 33.8 | 0 | 0 | 0 | 0 | 108.2 | D26 | D26-T28 PolarHBondContact O-N 3.39Š| ||
| 29 | N | 52.6 | Low | 55.3 | Low | 105 Ų | 105 | 120.7 Ų | 120.7 | 56% | 0.561 | 68% | 0.679 | S | S | * | * | trans | -66.6 | 134.9 | -173.6 | -71.2 | -31.2 | 0 | 0 | 0 | 109.6 | G27 E31 D32 | G27-N29 PolarHBondContact O-N 2.88Å; G27-N29 PolarHBondContact O-OD1 3.4Å; N29-E31 PolarHBondContact O-N 3.01Å; N29-D32 PolarHBondContact O-N 3.49Å | ||
| 30 | V | 64.7 | Low | 58 | Low | 102 Ų | 102 | 114.6 Ų | 114.6 | 62% | 0.618 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -50.3 | -26.5 | 179.1 | 175.9 | 0 | 0 | 0 | 0 | 112.5 | D32 M33 L34 | V30-D32 PolarHBondContact O-N 3.39Å; V30-M33 WeakPolarHBondContact O-CB 3.39Å; V30-M33 PolarHBondContact O-N 2.87Å; V30-L34 HydrophobicContact CG1-CD1 4.06Å; V30-L34 HydrophobicContact CG1-CG 4.24Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 3Å |
| 31 | E | 77.4 | Confident | 60.8 | Low | 139 Ų | 139 | 113.3 Ų | 113.3 | 65% | 0.65 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -57.1 | -44.2 | 174.6 | -63.6 | 178.9 | 173.5 | 0 | 0 | 112.8 | N29 M33 L34 L35 | N29-E31 PolarHBondContact O-N 3.01Å; E31-M33 VanDerWaalsContact C-N 3.29Å; E31-M33 PolarHBondContact O-N 3.2Å; E31-L34 PolarHBondContact O-N 3.07Å; E31-L35 WeakPolarHBondContact O-CB 3.27Å; E31-L35 WeakPolarHBondContact O-CG 3.3Å; E31-L35 PolarHBondContact O-N 2.95Å |
| 32 | D | 78.5 | Confident | 63.7 | Low | 110 Ų | 110 | 112.1 Ų | 112.1 | 59% | 0.588 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.9 | -33.8 | 178.1 | -73.7 | -22.6 | 0 | 0 | 0 | 111.4 | N29 V30 S36 | N29-D32 PolarHBondContact O-N 3.49Å; V30-D32 PolarHBondContact O-N 3.39Å; D32-S36 WeakPolarHBondContact O-CB 3.3Å; D32-S36 PolarHBondContact O-N 2.87Å |
| 33 | M | 75.7 | Confident | 66.6 | Low | 126 Ų | 126 | 112.7 Ų | 112.7 | 62% | 0.621 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.1 | -42.5 | 175.3 | -171.4 | -179.3 | -59 | 0 | 0 | 111.3 | V30 E31 S36 M37 | V30-M33 WeakPolarHBondContact O-CB 3.39Å; V30-M33 PolarHBondContact O-N 2.87Å; E31-M33 VanDerWaalsContact C-N 3.29Å; E31-M33 PolarHBondContact O-N 3.2Å; M33-S36 PolarHBondContact O-N 3.49Å; M33-M37 WeakPolarHBondContact O-CG 3.42Å; M33-M37 PolarHBondContact O-N 3.45Å |
| 34 | L | 74.5 | Confident | 69.1 | Low | 98 Ų | 98 | 111.5 Ų | 111.5 | 51% | 0.513 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.6 | -41.4 | 176.8 | -72 | 171.8 | 0 | 0 | 0 | 111.5 | V30 E31 M37 L38 | V30-L34 HydrophobicContact CG1-CD1 4.06Å; V30-L34 HydrophobicContact CG1-CG 4.24Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 3Å; E31-L34 PolarHBondContact O-N 3.07Å; L34-M37 PolarHBondContact O-N 3.42Å; L34-L38 WeakPolarHBondContact O-CG 3.17Å; L34-L38 PolarHBondContact O-N 3.41Å |
| 35 | L | 82.2 | Confident | 71.5 | Confident | 98 Ų | 98 | 111.9 Ų | 111.9 | 51% | 0.513 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.4 | -47.5 | 172.8 | -78.2 | 161.2 | 0 | 0 | 0 | 111.2 | E31 M37 L38 D39 | E31-L35 WeakPolarHBondContact O-CB 3.27Å; E31-L35 WeakPolarHBondContact O-CG 3.3Å; E31-L35 PolarHBondContact O-N 2.95Å; L35-M37 VanDerWaalsContact C-N 3.27Å; L35-M37 PolarHBondContact O-N 3.24Å; L35-L38 PolarHBondContact O-N 2.88Å; L35-L38 VanDerWaalsContact O-N 3.13Å; L35-D39 PolarHBondContact O-N 3.49Å |
| 36 | S | 81 | Confident | 74.1 | Confident | 74 Ų | 74 | 111.3 Ų | 111.3 | 52% | 0.517 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61 | -34.1 | 176 | 178.6 | 0 | 0 | 0 | 0 | 113 | D32 M33 E40 | D32-S36 WeakPolarHBondContact O-CB 3.3Å; D32-S36 PolarHBondContact O-N 2.87Å; M33-S36 PolarHBondContact O-N 3.49Å; S36-E40 WeakPolarHBondContact O-CB 3.42Å; S36-E40 PolarHBondContact O-N 3.32Å |
| 37 | M | 72.7 | Confident | 76.3 | Confident | 125 Ų | 125 | 105.1 Ų | 105.1 | 62% | 0.616 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.8 | -35.8 | 175.6 | -75.2 | -175.9 | 67.5 | 0 | 0 | 112.5 | M33 L34 L35 R41 | M33-M37 WeakPolarHBondContact O-CG 3.42Å; M33-M37 PolarHBondContact O-N 3.45Å; L34-M37 PolarHBondContact O-N 3.42Å; L35-M37 VanDerWaalsContact C-N 3.27Å; L35-M37 PolarHBondContact O-N 3.24Å; M37-R41 WeakPolarHBondContact O-CB 3.34Å; M37-R41 PolarHBondContact O-N 2.98Å |
| 38 | L | 80.9 | Confident | 78 | Confident | 88 Ų | 88 | 107.7 Ų | 107.7 | 46% | 0.461 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.2 | -43.2 | 174.7 | -70.5 | 172.2 | 0 | 0 | 0 | 111.1 | L34 L35 E40 R41 D42 | L34-L38 WeakPolarHBondContact O-CG 3.17Å; L34-L38 PolarHBondContact O-N 3.41Å; L35-L38 PolarHBondContact O-N 2.88Å; L35-L38 VanDerWaalsContact O-N 3.13Å; L38-E40 VanDerWaalsContact C-N 3.34Å; L38-E40 PolarHBondContact O-N 3.46Å; L38-R41 WeakPolarHBondContact O-CB 3.27Å; L38-R41 PolarHBondContact O-N 3.36Å; L38-D42 PolarHBondContact O-N 3.38Å |
| 39 | D | 88.8 | Confident | 79.9 | Confident | 110 Ų | 110 | 108.9 Ų | 108.9 | 59% | 0.588 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.3 | -42.5 | 175.3 | -71.3 | -19 | 0 | 0 | 0 | 111.6 | L35 D42 R43 | L35-D39 PolarHBondContact O-N 3.49Å; D39-D42 PolarHBondContact O-N 3.39Å; D39-R43 WeakPolarHBondContact O-CB 3.28Å; D39-R43 PolarHBondContact O-N 3.06Å |
| 40 | E | 85.4 | Confident | 81.5 | Confident | 90 Ų | 90 | 109 Ų | 109 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 177.4 | -169.5 | 62.7 | -158.4 | 0 | 0 | 111.8 | S36 L38 R43 L44 | S36-E40 WeakPolarHBondContact O-CB 3.42Å; S36-E40 PolarHBondContact O-N 3.32Å; L38-E40 VanDerWaalsContact C-N 3.34Å; L38-E40 PolarHBondContact O-N 3.46Å; E40-R43 PolarHBondContact O-N 3.44Å; E40-L44 HydrophobicContact CG-CD1 4.47Å; E40-L44 WeakPolarHBondContact O-CB 3.42Å; E40-L44 VanDerWaalsContact O-CG 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.42Å; E40-L44 PolarHBondContact O-N 3.44Å |
| 41 | R | 87.8 | Confident | 82.2 | Confident | 144 Ų | 144 | 107.2 Ų | 107.2 | 54% | 0.543 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | 173 | -174.9 | -159.8 | 73.7 | 166.3 | 1.2 | 110.8 | M37 L38 R43 L44 M45 | M37-R41 WeakPolarHBondContact O-CB 3.34Å; M37-R41 PolarHBondContact O-N 2.98Å; L38-R41 WeakPolarHBondContact O-CB 3.27Å; L38-R41 PolarHBondContact O-N 3.36Å; R41-R43 VanDerWaalsContact C-N 3.32Å; R41-R43 PolarHBondContact O-N 3Å; R41-L44 PolarHBondContact O-N 3.44Å; R41-M45 WeakPolarHBondContact O-CG 3.25Å; R41-M45 PolarHBondContact O-N 2.81Å |
| 42 | D | 90.1 | Very high | 82.2 | Confident | 81 Ų | 81 | 105.3 Ų | 105.3 | 43% | 0.433 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.3 | -37 | -177.9 | -69.5 | -5.9 | 0 | 0 | 0 | 111.1 | L38 D39 M45 E46 | L38-D42 PolarHBondContact O-N 3.38Å; D39-D42 PolarHBondContact O-N 3.39Å; D42-M45 PolarHBondContact O-N 2.92Å; D42-E46 PolarHBondContact O-N 2.97Å |
| 43 | R | 88.9 | Confident | 82.8 | Confident | 180 Ų | 180 | 106.1 Ų | 106.1 | 68% | 0.679 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62 | -41.6 | 171.8 | -167.5 | -179.6 | -173.2 | -176.3 | 2.9 | 112.9 | D39 E40 R41 E46 G47 | D39-R43 WeakPolarHBondContact O-CB 3.28Å; D39-R43 PolarHBondContact O-N 3.06Å; E40-R43 PolarHBondContact O-N 3.44Å; R41-R43 VanDerWaalsContact C-N 3.32Å; R41-R43 PolarHBondContact O-N 3Å; R43-E46 PolarHBondContact O-N 3.48Å; R43-G47 PolarHBondContact O-N 2.89Å |
| 44 | L | 83.5 | Confident | 83.1 | Confident | 113 Ų | 113 | 106 Ų | 106 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.1 | -35.7 | 175.9 | -72.3 | 172.2 | 0 | 0 | 0 | 112.2 | E40 R41 G47 L48 | E40-L44 HydrophobicContact CG-CD1 4.47Å; E40-L44 WeakPolarHBondContact O-CB 3.42Å; E40-L44 VanDerWaalsContact O-CG 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.42Å; E40-L44 PolarHBondContact O-N 3.44Å; R41-L44 PolarHBondContact O-N 3.44Å; L44-G47 PolarHBondContact O-N 3.01Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 PolarHBondContact O-N 3.42Å |
| 45 | M | 82.4 | Confident | 83.4 | Confident | 117 Ų | 117 | 103.8 Ų | 103.8 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.3 | -40.7 | 175.5 | -72.8 | -61.8 | -62.8 | 0 | 0 | 112 | R41 D42 L48 R49 | R41-M45 WeakPolarHBondContact O-CG 3.25Å; R41-M45 PolarHBondContact O-N 2.81Å; D42-M45 PolarHBondContact O-N 2.92Å; M45-L48 PolarHBondContact O-N 2.87Å; M45-R49 PolarHBondContact O-N 3.25Å; M45-R49 VanDerWaalsContact O-N 3.07Å |
| 46 | E | 86.8 | Confident | 83.5 | Confident | 83 Ų | 83 | 102.8 Ų | 102.8 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 174.2 | -166.6 | 60.7 | -147.9 | 0 | 0 | 111.2 | D42 R43 L48 R49 E50 | D42-E46 PolarHBondContact O-N 2.97Å; R43-E46 PolarHBondContact O-N 3.48Å; E46-L48 VanDerWaalsContact C-N 3.3Å; E46-L48 PolarHBondContact O-N 3.48Å; E46-R49 WeakPolarHBondContact O-CA 3.42Å; E46-R49 WeakPolarHBondContact O-CB 3.3Å; E46-R49 PolarHBondContact O-N 2.99Å; E46-R49 IonicContact OE1-CZ 3.99Å; E46-R49 IonicContact OE1-NE 2.97Å; E46-R49 PolarHBondContact OE1-NE 3.06Å; E46-R49 IonicContact OE1-NH2 2.93Å; E46-R49 IonicContact OE2-NE 3.42Å; E46-E50 PolarHBondContact O-N 3.47Å |
| 47 | G | 82.6 | Confident | 83.9 | Confident | 35 Ų | 35 | 103.7 Ų | 103.7 | 36% | 0.361 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -35.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R43 L44 S51 | R43-G47 PolarHBondContact O-N 2.89Å; L44-G47 PolarHBondContact O-N 3.01Å; G47-S51 WeakPolarHBondContact O-CB 3.29Å; G47-S51 PolarHBondContact O-N 3.24Å |
| 48 | L | 76.3 | Confident | 84.3 | Confident | 109 Ų | 109 | 101.6 Ų | 101.6 | 57% | 0.571 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.2 | -37.9 | 173 | -174.1 | 66.8 | 0 | 0 | 0 | 111.5 | L44 M45 E46 S51 Q52 | L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 PolarHBondContact O-N 3.42Å; M45-L48 PolarHBondContact O-N 2.87Å; E46-L48 VanDerWaalsContact C-N 3.3Å; E46-L48 PolarHBondContact O-N 3.48Å; L48-S51 PolarHBondContact O-N 3.36Å; L48-Q52 WeakPolarHBondContact O-CB 3.44Å; L48-Q52 PolarHBondContact O-N 3.42Å |
| 49 | R | 85.3 | Confident | 84.5 | Confident | 160 Ų | 160 | 104.7 Ų | 104.7 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.8 | -46.7 | 177.3 | -159 | -179.8 | 90.5 | 162.9 | 7.1 | 111.7 | M45 E46 S51 Q52 E53 | M45-R49 PolarHBondContact O-N 3.25Å; M45-R49 VanDerWaalsContact O-N 3.07Å; E46-R49 WeakPolarHBondContact O-CA 3.42Å; E46-R49 WeakPolarHBondContact O-CB 3.3Å; E46-R49 PolarHBondContact O-N 2.99Å; E46-R49 IonicContact OE1-CZ 3.99Å; E46-R49 IonicContact OE1-NE 2.97Å; E46-R49 PolarHBondContact OE1-NE 3.06Å; E46-R49 IonicContact OE1-NH2 2.93Å; E46-R49 IonicContact OE2-NE 3.42Å; R49-S51 VanDerWaalsContact C-N 3.34Å; R49-S51 PolarHBondContact O-N 2.88Å; R49-Q52 PolarHBondContact O-N 3.17Å; R49-E53 PolarHBondContact O-N 2.94Å |
| 50 | E | 86 | Confident | 84.4 | Confident | 108 Ų | 108 | 103.8 Ų | 103.8 | 51% | 0.505 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 175.1 | -71.5 | -178.2 | 173.8 | 0 | 0 | 111.8 | E46 E53 Q54 | E46-E50 PolarHBondContact O-N 3.47Å; E50-E53 PolarHBondContact O-N 3.01Å; E50-Q54 WeakPolarHBondContact O-CG 3.43Å; E50-Q54 PolarHBondContact O-N 3.44Å |
| 51 | S | 79.3 | Confident | 84.3 | Confident | 63 Ų | 63 | 106 Ų | 106 | 44% | 0.441 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 176.6 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | G47 L48 R49 E53 Q54 V55 | G47-S51 WeakPolarHBondContact O-CB 3.29Å; G47-S51 PolarHBondContact O-N 3.24Å; L48-S51 PolarHBondContact O-N 3.36Å; R49-S51 VanDerWaalsContact C-N 3.34Å; R49-S51 PolarHBondContact O-N 2.88Å; S51-E53 VanDerWaalsContact C-N 3.32Å; S51-E53 PolarHBondContact O-N 3.27Å; S51-Q54 PolarHBondContact O-N 3.15Å; S51-V55 WeakPolarHBondContact O-CG2 3.42Å; S51-V55 PolarHBondContact O-N 3.41Å |
| 52 | Q | 78.2 | Confident | 84 | Confident | 100 Ų | 100 | 104 Ų | 104 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 176.4 | -170.7 | 63.7 | 35.4 | 0 | 0 | 111.8 | L48 R49 V55 N56 | L48-Q52 WeakPolarHBondContact O-CB 3.44Å; L48-Q52 PolarHBondContact O-N 3.42Å; R49-Q52 PolarHBondContact O-N 3.17Å; Q52-V55 PolarHBondContact O-N 2.89Å; Q52-N56 VanDerWaalsContact O-CG 3.26Å; Q52-N56 PolarHBondContact O-N 3.38Å; Q52-N56 PolarHBondContact O-ND2 3.47Å |
| 53 | E | 90.1 | Very high | 83.8 | Confident | 126 Ų | 126 | 103.8 Ų | 103.8 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66 | -44.2 | 175.2 | -169.4 | 165.6 | -164 | 0 | 0 | 111.9 | R49 E50 S51 V55 N56 E57 | R49-E53 PolarHBondContact O-N 2.94Å; E50-E53 PolarHBondContact O-N 3.01Å; S51-E53 VanDerWaalsContact C-N 3.32Å; S51-E53 PolarHBondContact O-N 3.27Å; E53-V55 VanDerWaalsContact C-N 3.35Å; E53-V55 PolarHBondContact O-N 3.38Å; E53-N56 PolarHBondContact O-N 3.08Å; E53-N56 VanDerWaalsContact O-N 3.16Å; E53-E57 PolarHBondContact O-N 3.06Å |
| 54 | Q | 82.3 | Confident | 83.6 | Confident | 124 Ų | 124 | 99.9 Ų | 99.9 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.7 | -39.3 | 173.9 | -73.3 | -177.9 | 12.2 | 0 | 0 | 112.8 | E50 S51 N56 E57 T58 | E50-Q54 WeakPolarHBondContact O-CG 3.43Å; E50-Q54 PolarHBondContact O-N 3.44Å; S51-Q54 PolarHBondContact O-N 3.15Å; Q54-N56 VanDerWaalsContact C-N 3.32Å; Q54-N56 PolarHBondContact O-N 2.95Å; Q54-E57 PolarHBondContact O-N 3.47Å; Q54-T58 WeakPolarHBondContact O-CB 3.45Å; Q54-T58 VanDerWaalsContact O-CG2 3.31Å; Q54-T58 WeakPolarHBondContact O-CG2 3.24Å; Q54-T58 PolarHBondContact O-N 3.31Å; Q54-T58 PolarHBondContact O-OG1 2.89Å |
| 55 | V | 80.7 | Confident | 83.4 | Confident | 52 Ų | 52 | 98.7 Ų | 98.7 | 32% | 0.315 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | S51 Q52 E53 T58 R59 | S51-V55 WeakPolarHBondContact O-CG2 3.42Å; S51-V55 PolarHBondContact O-N 3.41Å; Q52-V55 PolarHBondContact O-N 2.89Å; E53-V55 VanDerWaalsContact C-N 3.35Å; E53-V55 PolarHBondContact O-N 3.38Å; V55-T58 WeakPolarHBondContact CA-OG1 3.47Å; V55-T58 PolarHBondContact O-OG1 3.12Å; V55-R59 WeakPolarHBondContact O-CG 2.99Å; V55-R59 PolarHBondContact O-N 3.45Å; V55-R59 VanDerWaalsContact O-N 3.09Å |
| 56 | N | 85.3 | Confident | 83.4 | Confident | 77 Ų | 77 | 97.2 Ų | 97.2 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.4 | -41.8 | 176.1 | -70.8 | -20.4 | 0 | 0 | 0 | 111.6 | Q52 E53 Q54 R59 T60 | Q52-N56 VanDerWaalsContact O-CG 3.26Å; Q52-N56 PolarHBondContact O-N 3.38Å; Q52-N56 PolarHBondContact O-ND2 3.47Å; E53-N56 PolarHBondContact O-N 3.08Å; E53-N56 VanDerWaalsContact O-N 3.16Å; Q54-N56 VanDerWaalsContact C-N 3.32Å; Q54-N56 PolarHBondContact O-N 2.95Å; N56-R59 PolarHBondContact O-N 2.85Å; N56-T60 PolarHBondContact O-N 3.46Å; N56-T60 PolarHBondContact O-OG1 3.24Å |
| 57 | E | 87.9 | Confident | 83.4 | Confident | 93 Ų | 93 | 99.3 Ų | 99.3 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 176.9 | -164.8 | -177.2 | -171.2 | 0 | 0 | 111.7 | E53 Q54 R59 T60 R61 | E53-E57 PolarHBondContact O-N 3.06Å; Q54-E57 PolarHBondContact O-N 3.47Å; E57-R59 PolarHBondContact O-N 3.16Å; E57-T60 WeakPolarHBondContact CA-OG1 3.4Å; E57-T60 PolarHBondContact O-N 2.97Å; E57-T60 PolarHBondContact O-OG1 2.9Å; E57-R61 WeakPolarHBondContact O-CG 3.45Å; E57-R61 PolarHBondContact O-N 3.43Å; E57-R61 IonicContact OE1-CZ 3.98Å; E57-R61 IonicContact OE1-NE 3.95Å; E57-R61 IonicContact OE1-NH2 3.93Å; E57-R61 PolarHBondContact OE1-NH2 3.47Å; E57-R61 IonicContact OE2-NH2 2.9Å |
| 58 | T | 81.2 | Confident | 83.4 | Confident | 80 Ų | 80 | 102.5 Ų | 102.5 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 176.3 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | Q54 V55 T60 R61 L62 | Q54-T58 WeakPolarHBondContact O-CB 3.45Å; Q54-T58 VanDerWaalsContact O-CG2 3.31Å; Q54-T58 WeakPolarHBondContact O-CG2 3.24Å; Q54-T58 PolarHBondContact O-N 3.31Å; Q54-T58 PolarHBondContact O-OG1 2.89Å; V55-T58 WeakPolarHBondContact CA-OG1 3.47Å; V55-T58 PolarHBondContact O-OG1 3.12Å; T58-T60 VanDerWaalsContact C-N 3.35Å; T58-T60 PolarHBondContact O-N 3.07Å; T58-R61 PolarHBondContact O-N 2.88Å; T58-L62 PolarHBondContact O-N 3.16Å |
| 59 | R | 85 | Confident | 83.8 | Confident | 154 Ų | 154 | 104 Ų | 104 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.1 | -40.4 | 172.9 | -78.5 | 177.8 | 178.6 | 142.1 | -0.2 | 112.3 | V55 N56 E57 L62 S63 | V55-R59 WeakPolarHBondContact O-CG 2.99Å; V55-R59 PolarHBondContact O-N 3.45Å; V55-R59 VanDerWaalsContact O-N 3.09Å; N56-R59 PolarHBondContact O-N 2.85Å; E57-R59 PolarHBondContact O-N 3.16Å; R59-L62 PolarHBondContact O-N 3.46Å; R59-S63 PolarHBondContact O-N 3.21Å; R59-S63 VanDerWaalsContact O-N 3.15Å |
| 60 | T | 87.8 | Confident | 83.8 | Confident | 91 Ų | 91 | 100.3 Ų | 100.3 | 56% | 0.558 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.5 | -41.4 | 176.3 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | N56 E57 T58 L62 S63 E64 | N56-T60 PolarHBondContact O-N 3.46Å; N56-T60 PolarHBondContact O-OG1 3.24Å; E57-T60 WeakPolarHBondContact CA-OG1 3.4Å; E57-T60 PolarHBondContact O-N 2.97Å; E57-T60 PolarHBondContact O-OG1 2.9Å; T58-T60 VanDerWaalsContact C-N 3.35Å; T58-T60 PolarHBondContact O-N 3.07Å; T60-L62 PolarHBondContact O-N 2.94Å; T60-S63 PolarHBondContact O-N 2.87Å; T60-E64 PolarHBondContact O-N 2.98Å; T60-E64 VanDerWaalsContact O-N 3.09Å |
| 61 | R | 82.6 | Confident | 83.7 | Confident | 137 Ų | 137 | 100.5 Ų | 100.5 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 175 | -71.4 | -179.9 | -172.3 | 160.8 | 3 | 112.1 | E57 T58 E64 V65 | E57-R61 WeakPolarHBondContact O-CG 3.45Å; E57-R61 PolarHBondContact O-N 3.43Å; E57-R61 IonicContact OE1-CZ 3.98Å; E57-R61 IonicContact OE1-NE 3.95Å; E57-R61 IonicContact OE1-NH2 3.93Å; E57-R61 PolarHBondContact OE1-NH2 3.47Å; E57-R61 IonicContact OE2-NH2 2.9Å; T58-R61 PolarHBondContact O-N 2.88Å; R61-E64 PolarHBondContact O-N 3.05Å; R61-V65 WeakPolarHBondContact O-CG2 3.36Å; R61-V65 PolarHBondContact O-N 3.14Å |
| 62 | L | 82.4 | Confident | 83.3 | Confident | 102 Ų | 102 | 102.7 Ų | 102.7 | 53% | 0.534 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 176.3 | -177.2 | 65.4 | 0 | 0 | 0 | 111.6 | T58 R59 T60 E64 V65 E66 | T58-L62 PolarHBondContact O-N 3.16Å; R59-L62 PolarHBondContact O-N 3.46Å; T60-L62 PolarHBondContact O-N 2.94Å; L62-E64 VanDerWaalsContact C-N 3.28Å; L62-E64 PolarHBondContact O-N 2.87Å; L62-V65 PolarHBondContact O-N 3.32Å; L62-E66 WeakPolarHBondContact O-CG 3.38Å; L62-E66 PolarHBondContact O-N 2.71Å |
| 63 | S | 85.7 | Confident | 83.2 | Confident | 75 Ų | 75 | 104.1 Ų | 104.1 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -34.1 | 178.1 | -172.2 | 0 | 0 | 0 | 0 | 112.5 | R59 T60 R67 | R59-S63 PolarHBondContact O-N 3.21Å; R59-S63 VanDerWaalsContact O-N 3.15Å; T60-S63 PolarHBondContact O-N 2.87Å; S63-R67 WeakPolarHBondContact O-CB 3.49Å; S63-R67 PolarHBondContact O-N 3.36Å; S63-R67 VanDerWaalsContact O-N 3.16Å |
| 64 | E | 85.3 | Confident | 82.6 | Confident | 99 Ų | 99 | 101 Ų | 101 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67 | -44.5 | 174 | -175 | 157 | -138.9 | 0 | 0 | 112.1 | T60 R61 L62 R67 E68 | T60-E64 PolarHBondContact O-N 2.98Å; T60-E64 VanDerWaalsContact O-N 3.09Å; R61-E64 PolarHBondContact O-N 3.05Å; L62-E64 VanDerWaalsContact C-N 3.28Å; L62-E64 PolarHBondContact O-N 2.87Å; E64-R67 PolarHBondContact O-N 3.04Å; E64-R67 IonicContact OE1-NH2 2.65Å; E64-E68 WeakPolarHBondContact O-CG 3.49Å; E64-E68 PolarHBondContact O-N 3.14Å |
| 65 | V | 77.8 | Confident | 82.5 | Confident | 87 Ų | 87 | 100.6 Ų | 100.6 | 53% | 0.527 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 176.7 | 172.1 | 0 | 0 | 0 | 0 | 112 | R61 L62 R67 E68 R69 | R61-V65 WeakPolarHBondContact O-CG2 3.36Å; R61-V65 PolarHBondContact O-N 3.14Å; L62-V65 PolarHBondContact O-N 3.32Å; V65-R67 VanDerWaalsContact C-N 3.34Å; V65-R67 PolarHBondContact O-N 3.4Å; V65-E68 PolarHBondContact O-N 2.93Å; V65-R69 WeakPolarHBondContact O-CB 3.49Å; V65-R69 PolarHBondContact O-N 3.06Å |
| 66 | E | 83.6 | Confident | 81.9 | Confident | 86 Ų | 86 | 103.5 Ų | 103.5 | 40% | 0.402 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 175.3 | -73.3 | 175.8 | 158.2 | 0 | 0 | 111.6 | L62 E68 R69 D70 | L62-E66 WeakPolarHBondContact O-CG 3.38Å; L62-E66 PolarHBondContact O-N 2.71Å; E66-E68 VanDerWaalsContact C-N 3.35Å; E66-E68 PolarHBondContact O-N 3.25Å; E66-R69 WeakPolarHBondContact O-CB 3.43Å; E66-R69 PolarHBondContact O-N 3.02Å; E66-D70 VanDerWaalsContact O-CG 3.28Å; E66-D70 PolarHBondContact O-N 3.49Å |
| 67 | R | 86 | Confident | 81.3 | Confident | 128 Ų | 128 | 103.5 Ų | 103.5 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 175.9 | -173.1 | -173 | 65.4 | 142.4 | -2.9 | 112.1 | S63 E64 V65 D70 K71 | S63-R67 WeakPolarHBondContact O-CB 3.49Å; S63-R67 PolarHBondContact O-N 3.36Å; S63-R67 VanDerWaalsContact O-N 3.16Å; E64-R67 PolarHBondContact O-N 3.04Å; E64-R67 IonicContact OE1-NH2 2.65Å; V65-R67 VanDerWaalsContact C-N 3.34Å; V65-R67 PolarHBondContact O-N 3.4Å; R67-D70 PolarHBondContact O-N 2.93Å; R67-K71 WeakPolarHBondContact O-CG 3.29Å; R67-K71 PolarHBondContact O-N 3.4Å |
| 68 | E | 81.9 | Confident | 80.8 | Confident | 102 Ų | 102 | 103.2 Ų | 103.2 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -44.3 | 174.2 | -74.9 | -174 | 170.5 | 0 | 0 | 111.9 | E64 V65 E66 D70 K71 L72 | E64-E68 WeakPolarHBondContact O-CG 3.49Å; E64-E68 PolarHBondContact O-N 3.14Å; V65-E68 PolarHBondContact O-N 2.93Å; E66-E68 VanDerWaalsContact C-N 3.35Å; E66-E68 PolarHBondContact O-N 3.25Å; E68-D70 VanDerWaalsContact C-N 3.3Å; E68-D70 PolarHBondContact O-N 2.89Å; E68-K71 PolarHBondContact O-N 2.66Å; E68-L72 WeakPolarHBondContact O-CB 3.44Å; E68-L72 WeakPolarHBondContact O-CG 3.46Å; E68-L72 PolarHBondContact O-N 3.11Å |
| 69 | R | 86.2 | Confident | 80.6 | Confident | 141 Ų | 141 | 107.8 Ų | 107.8 | 53% | 0.532 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -54.6 | -47.5 | 172.3 | 178.5 | -147.6 | 62.8 | -162.2 | -9.2 | 110.8 | V65 E66 K71 L72 H73 | V65-R69 WeakPolarHBondContact O-CB 3.49Å; V65-R69 PolarHBondContact O-N 3.06Å; E66-R69 WeakPolarHBondContact O-CB 3.43Å; E66-R69 PolarHBondContact O-N 3.02Å; R69-K71 PolarHBondContact O-N 2.85Å; R69-L72 PolarHBondContact O-N 3.39Å; R69-H73 VanDerWaalsContact O-CB 3.3Å; R69-H73 WeakPolarHBondContact O-CB 3.29Å; R69-H73 PolarHBondContact O-N 2.83Å |
| 70 | D | 85.6 | Confident | 80 | Confident | 81 Ų | 81 | 104 Ų | 104 | 43% | 0.433 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | -178.5 | -69.1 | -18 | 0 | 0 | 0 | 112.5 | E66 R67 E68 H73 A74 | E66-D70 VanDerWaalsContact O-CG 3.28Å; E66-D70 PolarHBondContact O-N 3.49Å; R67-D70 PolarHBondContact O-N 2.93Å; E68-D70 VanDerWaalsContact C-N 3.3Å; E68-D70 PolarHBondContact O-N 2.89Å; D70-H73 PolarHBondContact O-N 2.97Å; D70-A74 WeakPolarHBondContact O-CB 3.43Å; D70-A74 PolarHBondContact O-N 3.24Å |
| 71 | K | 82.4 | Confident | 79.4 | Confident | 112 Ų | 112 | 103.2 Ų | 103.2 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 172.2 | -78.3 | -179.9 | -179.6 | -179.7 | 0 | 111.8 | R67 E68 R69 H73 A74 Q75 | R67-K71 WeakPolarHBondContact O-CG 3.29Å; R67-K71 PolarHBondContact O-N 3.4Å; E68-K71 PolarHBondContact O-N 2.66Å; R69-K71 PolarHBondContact O-N 2.85Å; K71-H73 VanDerWaalsContact C-N 3.34Å; K71-A74 PolarHBondContact O-N 3.36Å; K71-Q75 WeakPolarHBondContact O-CB 3.17Å; K71-Q75 VanDerWaalsContact O-CG 3.26Å; K71-Q75 WeakPolarHBondContact O-CG 3.49Å; K71-Q75 PolarHBondContact O-N 3.45Å |
| 72 | L | 72 | Confident | 79 | Confident | 109 Ų | 109 | 103.7 Ų | 103.7 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.9 | -40.2 | 177.7 | -72.4 | 174.1 | 0 | 0 | 0 | 111.1 | E68 R69 Q75 L76 | E68-L72 WeakPolarHBondContact O-CB 3.44Å; E68-L72 WeakPolarHBondContact O-CG 3.46Å; E68-L72 PolarHBondContact O-N 3.11Å; R69-L72 PolarHBondContact O-N 3.39Å; L72-Q75 PolarHBondContact O-N 3.25Å; L72-L76 WeakPolarHBondContact O-CB 3.28Å; L72-L76 PolarHBondContact O-N 3.49Å |
| 73 | H | 76 | Confident | 78.6 | Confident | 130 Ų | 130 | 103.1 Ų | 103.1 | 60% | 0.602 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.2 | -43.9 | 178.2 | -160.1 | 78.2 | 0 | 0 | 0 | 111.8 | R69 D70 K71 Q75 L76 S77 | R69-H73 VanDerWaalsContact O-CB 3.3Å; R69-H73 WeakPolarHBondContact O-CB 3.29Å; R69-H73 PolarHBondContact O-N 2.83Å; D70-H73 PolarHBondContact O-N 2.97Å; K71-H73 VanDerWaalsContact C-N 3.34Å; H73-Q75 VanDerWaalsContact C-N 3.35Å; H73-Q75 PolarHBondContact O-N 3Å; H73-L76 PolarHBondContact O-N 3.05Å; H73-S77 WeakPolarHBondContact O-CB 3.48Å; H73-S77 PolarHBondContact O-N 2.96Å |
| 74 | A | 78 | Confident | 78 | Confident | 61 Ų | 61 | 101.2 Ų | 101.2 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | D70 K71 A78 | D70-A74 WeakPolarHBondContact O-CB 3.43Å; D70-A74 PolarHBondContact O-N 3.24Å; K71-A74 PolarHBondContact O-N 3.36Å; A74-A78 WeakPolarHBondContact O-CB 3.39Å; A74-A78 PolarHBondContact O-N 2.89Å |
| 75 | Q | 78.5 | Confident | 77.6 | Confident | 115 Ų | 115 | 99.2 Ų | 99.2 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 175.5 | -73.8 | 177 | 20.3 | 0 | 0 | 112.6 | K71 L72 H73 K79 | K71-Q75 WeakPolarHBondContact O-CB 3.17Å; K71-Q75 VanDerWaalsContact O-CG 3.26Å; K71-Q75 WeakPolarHBondContact O-CG 3.49Å; K71-Q75 PolarHBondContact O-N 3.45Å; L72-Q75 PolarHBondContact O-N 3.25Å; H73-Q75 VanDerWaalsContact C-N 3.35Å; H73-Q75 PolarHBondContact O-N 3Å; Q75-K79 WeakPolarHBondContact O-CB 3.33Å; Q75-K79 WeakPolarHBondContact O-CG 3.41Å; Q75-K79 PolarHBondContact O-N 3.07Å |
| 76 | L | 68.8 | Low | 77.6 | Confident | 114 Ų | 114 | 99.9 Ų | 99.9 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.4 | -44 | 177.8 | -158.2 | 104.3 | 0 | 0 | 0 | 110.8 | L72 H73 K79 M80 | L72-L76 WeakPolarHBondContact O-CB 3.28Å; L72-L76 PolarHBondContact O-N 3.49Å; H73-L76 PolarHBondContact O-N 3.05Å; L76-K79 PolarHBondContact O-N 2.92Å; L76-M80 HydrophobicContact CD2-CE 4.4Å; L76-M80 PolarHBondContact O-N 3.15Å |
| 77 | S | 73.6 | Confident | 77 | Confident | 76 Ų | 76 | 97.7 Ų | 97.7 | 53% | 0.531 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 175.9 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | H73 K79 M80 | H73-S77 WeakPolarHBondContact O-CB 3.48Å; H73-S77 PolarHBondContact O-N 2.96Å; S77-K79 PolarHBondContact O-N 3.35Å; S77-M80 PolarHBondContact O-N 3.4Å |
| 78 | A | 76.2 | Confident | 76.6 | Confident | 88 Ų | 88 | 93 Ų | 93 | 73% | 0.727 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.8 | -23.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A74 | A74-A78 WeakPolarHBondContact O-CB 3.39Å; A74-A78 PolarHBondContact O-N 2.89Å |
| 79 | K | 77.1 | Confident | 76.7 | Confident | 176 Ų | 176 | 95.2 Ų | 95.2 | 77% | 0.765 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -2.3 | 178.6 | -72.6 | -173.4 | 178 | -171 | 0 | 113.7 | Q75 L76 S77 P81 | Q75-K79 WeakPolarHBondContact O-CB 3.33Å; Q75-K79 WeakPolarHBondContact O-CG 3.41Å; Q75-K79 PolarHBondContact O-N 3.07Å; L76-K79 PolarHBondContact O-N 2.92Å; S77-K79 PolarHBondContact O-N 3.35Å; K79-P81 WeakPolarHBondContact O-CD 3.27Å |
| 80 | M | 71.8 | Confident | 76.6 | Confident | 74 Ų | 74 | 92.8 Ų | 92.8 | 37% | 0.365 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -76.5 | 126 | -175.9 | -158.7 | 178.3 | -56.2 | 0 | 0 | 110.6 | L76 S77 V84 V85 | L76-M80 HydrophobicContact CD2-CE 4.4Å; L76-M80 PolarHBondContact O-N 3.15Å; S77-M80 PolarHBondContact O-N 3.4Å; M80-V84 HydrophobicContact CG-CB 4.5Å; M80-V84 HydrophobicContact CG-CG1 4.33Å; M80-V84 HydrophobicContact SD-CG1 4.36Å; M80-V85 HydrophobicContact CB-CG2 4.14Å; M80-V85 HydrophobicContact CG-CG2 3.99Å; M80-V85 HydrophobicContact SD-CG2 3.86Å |
| 81 | P | 75.7 | Confident | 76.3 | Confident | 74 Ų | 74 | 89.8 Ų | 89.8 | 48% | 0.481 | 47% | 0.471 | S | S | . | . | trans | -58.6 | 138.4 | 176 | -26.5 | 36.7 | 0 | 0 | 0 | 112.6 | K79 D83 V84 V85 | K79-P81 WeakPolarHBondContact O-CD 3.27Å; P81-D83 VanDerWaalsContact C-N 3.3Å; P81-D83 WeakPolarHBondContact CB-OD1 3.41Å; P81-D83 PolarHBondContact O-N 3.48Å; P81-V84 HydrophobicContact CB-CB 4.5Å; P81-V84 HydrophobicContact CB-CG2 4.13Å; P81-V84 HydrophobicContact CG-CG2 4.46Å; P81-V84 WeakPolarHBondContact O-CB 3.33Å; P81-V84 PolarHBondContact O-N 3.42Å; P81-V84 VanDerWaalsContact O-N 3.08Å; P81-V85 PolarHBondContact O-N 3.2Å; P81-V85 VanDerWaalsContact O-N 3.1Å | ||
| 82 | Q | 74.1 | Confident | 76.3 | Confident | 148 Ų | 148 | 88.2 Ų | 88.2 | 69% | 0.692 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64 | -32.7 | -171.9 | -170.5 | 66.7 | 15.6 | 0 | 0 | 113.3 | V85 E86 | Q82-V85 WeakPolarHBondContact O-CB 3.26Å; Q82-V85 PolarHBondContact O-N 2.91Å; Q82-E86 PolarHBondContact O-N 3.44Å |
| 83 | D | 74.7 | Confident | 77.2 | Confident | 90 Ų | 90 | 87.8 Ų | 87.8 | 48% | 0.481 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 173.1 | 59.6 | -37.4 | 0 | 0 | 0 | 111.7 | P81 V85 E86 M87 | P81-D83 VanDerWaalsContact C-N 3.3Å; P81-D83 WeakPolarHBondContact CB-OD1 3.41Å; P81-D83 PolarHBondContact O-N 3.48Å; D83-V85 VanDerWaalsContact C-N 3.32Å; D83-V85 PolarHBondContact O-N 3.31Å; D83-E86 PolarHBondContact O-N 3.29Å; D83-M87 WeakPolarHBondContact O-CB 3.31Å; D83-M87 VanDerWaalsContact O-CG 3.26Å; D83-M87 WeakPolarHBondContact O-CG 3.46Å; D83-M87 PolarHBondContact O-N 3.41Å |
| 84 | V | 73.5 | Confident | 77.8 | Confident | 34 Ų | 34 | 81.9 Ų | 81.9 | 21% | 0.206 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.7 | -35.9 | 174.6 | 179 | 0 | 0 | 0 | 0 | 111.2 | M80 P81 S88 | M80-V84 HydrophobicContact CG-CB 4.5Å; M80-V84 HydrophobicContact CG-CG1 4.33Å; M80-V84 HydrophobicContact SD-CG1 4.36Å; P81-V84 HydrophobicContact CB-CB 4.5Å; P81-V84 HydrophobicContact CB-CG2 4.13Å; P81-V84 HydrophobicContact CG-CG2 4.46Å; P81-V84 WeakPolarHBondContact O-CB 3.33Å; P81-V84 PolarHBondContact O-N 3.42Å; P81-V84 VanDerWaalsContact O-N 3.08Å; V84-S88 VanDerWaalsContact O-CB 3.26Å; V84-S88 WeakPolarHBondContact O-CB 3.5Å; V84-S88 PolarHBondContact O-N 3.37Å; V84-S88 PolarHBondContact O-OG 3.04Å |
| 85 | V | 75.5 | Confident | 78.2 | Confident | 57 Ų | 57 | 82 Ų | 82 | 35% | 0.345 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 173.5 | 177.6 | 0 | 0 | 0 | 0 | 111 | M80 P81 Q82 D83 S88 K89 | M80-V85 HydrophobicContact CB-CG2 4.14Å; M80-V85 HydrophobicContact CG-CG2 3.99Å; M80-V85 HydrophobicContact SD-CG2 3.86Å; P81-V85 PolarHBondContact O-N 3.2Å; P81-V85 VanDerWaalsContact O-N 3.1Å; Q82-V85 WeakPolarHBondContact O-CB 3.26Å; Q82-V85 PolarHBondContact O-N 2.91Å; D83-V85 VanDerWaalsContact C-N 3.32Å; D83-V85 PolarHBondContact O-N 3.31Å; V85-S88 PolarHBondContact O-N 2.84Å; V85-K89 PolarHBondContact O-N 3.15Å |
| 86 | E | 78.4 | Confident | 78.8 | Confident | 101 Ų | 101 | 83.4 Ų | 83.4 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 178.1 | -168.5 | -175.8 | 155.2 | 0 | 0 | 111.9 | Q82 D83 S88 K89 K90 | Q82-E86 PolarHBondContact O-N 3.44Å; D83-E86 PolarHBondContact O-N 3.29Å; E86-S88 VanDerWaalsContact C-N 3.28Å; E86-S88 PolarHBondContact O-N 3.45Å; E86-K89 WeakPolarHBondContact O-CB 3.36Å; E86-K89 PolarHBondContact O-N 2.9Å; E86-K89 VanDerWaalsContact O-N 3.16Å; E86-K90 PolarHBondContact O-N 2.87Å; E86-K90 WeakPolarHBondContact OE1-CE 3.49Å; E86-K90 IonicContact OE1-NZ 2.84Å; E86-K90 PolarHBondContact OE1-NZ 3.34Å |
| 87 | M | 72 | Confident | 79.7 | Confident | 41 Ų | 41 | 81 Ų | 81 | 20% | 0.202 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 174.4 | -72.5 | -62.1 | -64.4 | 0 | 0 | 112.1 | D83 L91 L239 S242 | D83-M87 WeakPolarHBondContact O-CB 3.31Å; D83-M87 VanDerWaalsContact O-CG 3.26Å; D83-M87 WeakPolarHBondContact O-CG 3.46Å; D83-M87 PolarHBondContact O-N 3.41Å; M87-L91 VanDerWaalsContact O-CB 3.25Å; M87-L91 WeakPolarHBondContact O-CB 3.43Å; M87-L91 PolarHBondContact O-N 3.21Å; M87-L239 HydrophobicContact CE-CD2 3.57Å; M87-L239 HydrophobicContact SD-CD2 4.35Å; M87-S242 WeakPolarHBondContact CE-OG 3.4Å |
| 88 | S | 77.1 | Confident | 80.5 | Confident | 29 Ų | 29 | 78.7 Ų | 78.7 | 20% | 0.203 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -69.7 | -34.9 | 175.4 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | V84 V85 E86 L91 T92 K243 | V84-S88 VanDerWaalsContact O-CB 3.26Å; V84-S88 WeakPolarHBondContact O-CB 3.5Å; V84-S88 PolarHBondContact O-N 3.37Å; V84-S88 PolarHBondContact O-OG 3.04Å; V85-S88 PolarHBondContact O-N 2.84Å; E86-S88 VanDerWaalsContact C-N 3.28Å; E86-S88 PolarHBondContact O-N 3.45Å; S88-L91 PolarHBondContact O-N 3.38Å; S88-T92 WeakPolarHBondContact O-CG2 3.33Å; S88-T92 PolarHBondContact O-N 3.47Å; S88-T92 PolarHBondContact O-OG1 2.83Å; S88-K243 PolarHBondContact OG-NZ 3.48Å |
| 89 | K | 83.1 | Confident | 81 | Confident | 148 Ų | 148 | 79.4 Ų | 79.4 | 64% | 0.643 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -66.5 | -46 | 173.8 | -170.2 | -176.7 | 177 | -172 | 0 | 112.2 | V85 E86 L91 T92 E93 | V85-K89 PolarHBondContact O-N 3.15Å; E86-K89 WeakPolarHBondContact O-CB 3.36Å; E86-K89 PolarHBondContact O-N 2.9Å; E86-K89 VanDerWaalsContact O-N 3.16Å; K89-L91 VanDerWaalsContact C-N 3.29Å; K89-L91 PolarHBondContact O-N 3.45Å; K89-T92 WeakPolarHBondContact CA-OG1 3.47Å; K89-T92 PolarHBondContact O-N 3.4Å; K89-T92 PolarHBondContact O-OG1 3.49Å; K89-E93 WeakPolarHBondContact O-CB 3.42Å; K89-E93 PolarHBondContact O-N 2.75Å |
| 90 | K | 84 | Confident | 81.7 | Confident | 90 Ų | 90 | 76 Ų | 76 | 39% | 0.391 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 174.6 | -71 | 179.2 | -174.7 | 161.6 | 0 | 111.4 | E86 E93 V94 L239 | E86-K90 PolarHBondContact O-N 2.87Å; E86-K90 WeakPolarHBondContact OE1-CE 3.49Å; E86-K90 IonicContact OE1-NZ 2.84Å; E86-K90 PolarHBondContact OE1-NZ 3.34Å; K90-E93 PolarHBondContact O-N 3.45Å; K90-V94 WeakPolarHBondContact O-CG2 3.48Å; K90-V94 PolarHBondContact O-N 2.77Å; K90-L239 HydrophobicContact CB-CD1 4.39Å; K90-L239 HydrophobicContact CB-CD2 4.41Å |
| 91 | L | 80.2 | Confident | 82.4 | Confident | 18 Ų | 18 | 74.9 Ų | 74.9 | 9% | 0.094 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.6 | -48 | 174.7 | -170.9 | 74.5 | 0 | 0 | 0 | 111.3 | M87 S88 K89 E93 V94 E95 L236 L239 K240 | M87-L91 VanDerWaalsContact O-CB 3.25Å; M87-L91 WeakPolarHBondContact O-CB 3.43Å; M87-L91 PolarHBondContact O-N 3.21Å; S88-L91 PolarHBondContact O-N 3.38Å; K89-L91 VanDerWaalsContact C-N 3.29Å; K89-L91 PolarHBondContact O-N 3.45Å; L91-E93 VanDerWaalsContact C-N 3.32Å; L91-E93 PolarHBondContact O-N 2.98Å; L91-V94 PolarHBondContact O-N 3.32Å; L91-E95 WeakPolarHBondContact O-CB 3.29Å; L91-E95 VanDerWaalsContact O-CG 3.29Å; L91-E95 WeakPolarHBondContact O-CG 3.33Å; L91-E95 PolarHBondContact O-N 2.8Å; L91-L236 HydrophobicContact CD1-CD1 3.49Å; L91-L236 VanDerWaalsContact CD1-CD1 3.49Å; L91-L236 HydrophobicContact CD1-CG 4.3Å; L91-L236 HydrophobicContact CG-CD1 4.25Å; L91-L239 HydrophobicContact CD1-CB 4Å; L91-K240 HydrophobicContact CD1-CD 4.38Å; L91-K240 HydrophobicContact CD1-CG 3.59Å; L91-K240 HydrophobicContact CD2-CG 4.45Å |
| 92 | T | 83 | Confident | 83 | Confident | 80 Ų | 80 | 73.6 Ų | 73.6 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 177.8 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | S88 K89 E95 E96 | S88-T92 WeakPolarHBondContact O-CG2 3.33Å; S88-T92 PolarHBondContact O-N 3.47Å; S88-T92 PolarHBondContact O-OG1 2.83Å; K89-T92 WeakPolarHBondContact CA-OG1 3.47Å; K89-T92 PolarHBondContact O-N 3.4Å; K89-T92 PolarHBondContact O-OG1 3.49Å; T92-E95 PolarHBondContact O-N 2.93Å; T92-E96 WeakPolarHBondContact O-CB 3.23Å; T92-E96 PolarHBondContact O-N 3.2Å |
| 93 | E | 89.5 | Confident | 83.6 | Confident | 99 Ų | 99 | 71 Ų | 71 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 177.9 | -176.7 | 175 | 179.6 | 0 | 0 | 111.9 | K89 K90 L91 E96 Q97 | K89-E93 WeakPolarHBondContact O-CB 3.42Å; K89-E93 PolarHBondContact O-N 2.75Å; K90-E93 PolarHBondContact O-N 3.45Å; L91-E93 VanDerWaalsContact C-N 3.32Å; L91-E93 PolarHBondContact O-N 2.98Å; E93-E96 PolarHBondContact O-N 3.23Å; E93-Q97 WeakPolarHBondContact O-CG 3.3Å; E93-Q97 PolarHBondContact O-N 2.96Å |
| 94 | V | 88.2 | Confident | 84.4 | Confident | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.4 | -37.4 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | K90 L91 Q97 L98 L232 E235 L236 L239 | K90-V94 WeakPolarHBondContact O-CG2 3.48Å; K90-V94 PolarHBondContact O-N 2.77Å; L91-V94 PolarHBondContact O-N 3.32Å; V94-Q97 PolarHBondContact O-N 2.88Å; V94-L98 VanDerWaalsContact O-CB 3.28Å; V94-L98 WeakPolarHBondContact O-CB 3.29Å; V94-L98 PolarHBondContact O-N 3.39Å; V94-L232 HydrophobicContact CG1-CD2 4.34Å; V94-E235 HydrophobicContact CG2-CG 4.28Å; V94-L236 HydrophobicContact CB-CD1 4.28Å; V94-L236 HydrophobicContact CG1-CB 3.94Å; V94-L236 HydrophobicContact CG1-CD1 3.95Å; V94-L239 HydrophobicContact CB-CD1 4.28Å; V94-L239 HydrophobicContact CG2-CD1 3.71Å |
| 95 | E | 87.9 | Confident | 85.2 | Confident | 64 Ų | 64 | 68.9 Ų | 68.9 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 173.9 | -72.9 | 178.1 | 159.7 | 0 | 0 | 111.6 | L91 T92 L98 I99 L236 K240 | L91-E95 WeakPolarHBondContact O-CB 3.29Å; L91-E95 VanDerWaalsContact O-CG 3.29Å; L91-E95 WeakPolarHBondContact O-CG 3.33Å; L91-E95 PolarHBondContact O-N 2.8Å; T92-E95 PolarHBondContact O-N 2.93Å; E95-L98 PolarHBondContact O-N 3.1Å; E95-I99 WeakPolarHBondContact O-CD1 3.41Å; E95-I99 VanDerWaalsContact O-CG1 3.26Å; E95-I99 WeakPolarHBondContact O-CG1 3.49Å; E95-I99 PolarHBondContact O-N 2.91Å; E95-L236 HydrophobicContact CG-CD1 3.4Å; E95-L236 VanDerWaalsContact CG-CD1 3.4Å; E95-L236 HydrophobicContact CG-CD2 4.28Å; E95-L236 HydrophobicContact CG-CG 4.49Å; E95-K240 WeakPolarHBondContact OE1-CE 3.27Å; E95-K240 IonicContact OE1-NZ 2.64Å; E95-K240 PolarHBondContact OE1-NZ 2.9Å |
| 96 | E | 89.8 | Confident | 85.9 | Confident | 143 Ų | 143 | 70.3 Ų | 70.3 | 67% | 0.668 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.3 | -44.9 | 176.4 | -171 | 172.5 | -168.5 | 0 | 0 | 111.9 | T92 E93 L98 I99 E100 | T92-E96 WeakPolarHBondContact O-CB 3.23Å; T92-E96 PolarHBondContact O-N 3.2Å; E93-E96 PolarHBondContact O-N 3.23Å; E96-L98 VanDerWaalsContact C-N 3.29Å; E96-L98 PolarHBondContact O-N 3.42Å; E96-I99 PolarHBondContact O-N 2.83Å; E96-E100 PolarHBondContact O-N 3.27Å |
| 97 | Q | 89.1 | Confident | 86.4 | Confident | 65 Ų | 65 | 71.1 Ų | 71.1 | 30% | 0.304 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.2 | -37.6 | 174.2 | -72.4 | -179.9 | 26.7 | 0 | 0 | 112.1 | E93 V94 E100 R101 L232 | E93-Q97 WeakPolarHBondContact O-CG 3.3Å; E93-Q97 PolarHBondContact O-N 2.96Å; V94-Q97 PolarHBondContact O-N 2.88Å; Q97-E100 PolarHBondContact O-N 3.5Å; Q97-R101 VanDerWaalsContact O-CG 3.23Å; Q97-R101 WeakPolarHBondContact O-CG 3.47Å; Q97-R101 PolarHBondContact O-N 3.43Å; Q97-L232 HydrophobicContact CB-CD1 4.01Å; Q97-L232 HydrophobicContact CB-CD2 4.4Å |
| 98 | L | 89.8 | Confident | 87.4 | Confident | 26 Ų | 26 | 69.7 Ų | 69.7 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 177.2 | -175.3 | 68.7 | 0 | 0 | 0 | 111.2 | V94 E95 E96 R101 C102 V229 L232 E233 L236 | V94-L98 VanDerWaalsContact O-CB 3.28Å; V94-L98 WeakPolarHBondContact O-CB 3.29Å; V94-L98 PolarHBondContact O-N 3.39Å; E95-L98 PolarHBondContact O-N 3.1Å; E96-L98 VanDerWaalsContact C-N 3.29Å; E96-L98 PolarHBondContact O-N 3.42Å; L98-R101 PolarHBondContact O-N 3.48Å; L98-C102 WeakPolarHBondContact O-CB 3.46Å; L98-C102 PolarHBondContact O-N 3.26Å; L98-C102 PolarHBondContact O-SG 3.08Å; L98-V229 HydrophobicContact CD1-CB 4.32Å; L98-V229 HydrophobicContact CD1-CG1 3.79Å; L98-V229 HydrophobicContact CD1-CG2 4.35Å; L98-L232 HydrophobicContact CD1-CB 3.99Å; L98-E233 HydrophobicContact CD1-CG 3.79Å; L98-E233 HydrophobicContact CD2-CG 4.22Å; L98-L236 HydrophobicContact CD2-CD2 4.34Å |
| 99 | I | 87.6 | Confident | 88.1 | Confident | 103 Ų | 103 | 70.9 Ų | 70.9 | 53% | 0.528 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.8 | -49.4 | 175.9 | -67.4 | 162.7 | 0 | 0 | 0 | 110 | E95 E96 R101 C102 D103 | E95-I99 WeakPolarHBondContact O-CD1 3.41Å; E95-I99 VanDerWaalsContact O-CG1 3.26Å; E95-I99 WeakPolarHBondContact O-CG1 3.49Å; E95-I99 PolarHBondContact O-N 2.91Å; E96-I99 PolarHBondContact O-N 2.83Å; I99-R101 VanDerWaalsContact C-N 3.33Å; I99-R101 PolarHBondContact O-N 3.29Å; I99-C102 WeakPolarHBondContact O-CB 3.24Å; I99-C102 PolarHBondContact O-N 2.74Å; I99-C102 VanDerWaalsContact O-N 3.07Å; I99-D103 PolarHBondContact O-N 3.14Å |
| 100 | E | 90 | Very high | 88.3 | Confident | 106 Ų | 106 | 66.1 Ų | 66.1 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59 | -41.6 | 179.6 | -165.7 | -160.5 | 169.7 | 0 | 0 | 112.3 | E96 Q97 D103 E104 | E96-E100 PolarHBondContact O-N 3.27Å; Q97-E100 PolarHBondContact O-N 3.5Å; E100-D103 PolarHBondContact O-N 3.3Å; E100-E104 PolarHBondContact O-N 3.17Å |
| 101 | R | 87.4 | Confident | 88.6 | Confident | 49 Ų | 49 | 66.1 Ų | 66.1 | 19% | 0.185 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.9 | -32.1 | 176.1 | -64.7 | -66.3 | 87.6 | 64.2 | -9.2 | 112.6 | Q97 L98 I99 E104 I105 K228 V229 L232 | Q97-R101 VanDerWaalsContact O-CG 3.23Å; Q97-R101 WeakPolarHBondContact O-CG 3.47Å; Q97-R101 PolarHBondContact O-N 3.43Å; L98-R101 PolarHBondContact O-N 3.48Å; I99-R101 VanDerWaalsContact C-N 3.33Å; I99-R101 PolarHBondContact O-N 3.29Å; R101-E104 IonicContact CZ-OE2 3.61Å; R101-E104 IonicContact NE-OE2 3.53Å; R101-E104 PolarHBondContact NE-OE2 3.47Å; R101-E104 IonicContact NH2-OE2 2.74Å; R101-I105 VanDerWaalsContact O-CG1 3.3Å; R101-I105 WeakPolarHBondContact O-CG1 3.34Å; R101-I105 PolarHBondContact O-N 3.47Å; R101-K228 HydrophobicContact CG-CG 4.45Å; R101-V229 HydrophobicContact CB-CG2 3.53Å; R101-L232 HydrophobicContact CG-CD1 3.87Å |
| 102 | C | 87.3 | Confident | 89.2 | Confident | 48 Ų | 48 | 69.1 Ų | 69.1 | 32% | 0.324 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 173.6 | -77.6 | 0 | 0 | 0 | 0 | 111.3 | L98 I99 I105 D106 | L98-C102 WeakPolarHBondContact O-CB 3.46Å; L98-C102 PolarHBondContact O-N 3.26Å; L98-C102 PolarHBondContact O-SG 3.08Å; I99-C102 WeakPolarHBondContact O-CB 3.24Å; I99-C102 PolarHBondContact O-N 2.74Å; I99-C102 VanDerWaalsContact O-N 3.07Å; C102-I105 WeakPolarHBondContact O-CB 3.27Å; C102-I105 PolarHBondContact O-N 3.42Å; C102-D106 PolarHBondContact O-N 3.42Å; C102-D106 VanDerWaalsContact O-N 3.1Å |
| 103 | D | 87.3 | Confident | 89.5 | Confident | 94 Ų | 94 | 68.2 Ų | 68.2 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 175.2 | -67.2 | -17.6 | 0 | 0 | 0 | 110.7 | I99 E100 I105 D106 D107 | I99-D103 PolarHBondContact O-N 3.14Å; E100-D103 PolarHBondContact O-N 3.3Å; D103-I105 VanDerWaalsContact C-N 3.3Å; D103-I105 PolarHBondContact O-N 2.99Å; D103-D106 PolarHBondContact O-N 3.27Å; D103-D106 VanDerWaalsContact O-N 3.11Å; D103-D107 PolarHBondContact O-N 3.42Å |
| 104 | E | 90.9 | Very high | 89.6 | Confident | 67 Ų | 67 | 68.6 Ų | 68.6 | 31% | 0.313 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.9 | -39.8 | 174.2 | -172 | -167.3 | 149.3 | 0 | 0 | 112.5 | E100 R101 D106 D107 L108 S225 | E100-E104 PolarHBondContact O-N 3.17Å; R101-E104 IonicContact CZ-OE2 3.61Å; R101-E104 IonicContact NE-OE2 3.53Å; R101-E104 PolarHBondContact NE-OE2 3.47Å; R101-E104 IonicContact NH2-OE2 2.74Å; E104-D106 VanDerWaalsContact C-N 3.34Å; E104-D107 PolarHBondContact O-N 3.37Å; E104-L108 HydrophobicContact CG-CD1 4.12Å; E104-L108 WeakPolarHBondContact O-CB 3.33Å; E104-L108 VanDerWaalsContact O-CG 3.25Å; E104-L108 WeakPolarHBondContact O-CG 3.49Å; E104-L108 PolarHBondContact O-N 2.95Å; E104-S225 PolarHBondContact OE1-OG 3.37Å |
| 105 | I | 90.9 | Very high | 89.6 | Confident | 12 Ų | 12 | 69.2 Ų | 69.2 | 6% | 0.062 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 176.6 | -79.1 | 169.9 | 0 | 0 | 0 | 111.3 | R101 C102 D103 L108 K109 L222 Q226 V229 | R101-I105 VanDerWaalsContact O-CG1 3.3Å; R101-I105 WeakPolarHBondContact O-CG1 3.34Å; R101-I105 PolarHBondContact O-N 3.47Å; C102-I105 WeakPolarHBondContact O-CB 3.27Å; C102-I105 PolarHBondContact O-N 3.42Å; D103-I105 VanDerWaalsContact C-N 3.3Å; D103-I105 PolarHBondContact O-N 2.99Å; I105-L108 PolarHBondContact O-N 3.27Å; I105-K109 HydrophobicContact CG2-CD 4.24Å; I105-K109 VanDerWaalsContact CG2-CE 3.4Å; I105-K109 HydrophobicContact CG2-CG 4.46Å; I105-K109 WeakPolarHBondContact O-CB 3.46Å; I105-K109 VanDerWaalsContact O-CG 3.27Å; I105-K109 WeakPolarHBondContact O-CG 3.47Å; I105-K109 PolarHBondContact O-N 2.75Å; I105-L222 HydrophobicContact CB-CD1 4.32Å; I105-L222 HydrophobicContact CG1-CD1 4.32Å; I105-L222 HydrophobicContact CG2-CD1 3.91Å; I105-Q226 HydrophobicContact CD1-CB 4.4Å; I105-Q226 HydrophobicContact CD1-CG 3.82Å; I105-Q226 HydrophobicContact CG1-CG 4.21Å; I105-V229 HydrophobicContact CD1-CB 4.14Å; I105-V229 HydrophobicContact CD1-CG2 3.5Å |
| 106 | D | 89.8 | Confident | 89.8 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70 | -38 | -179.1 | -73.6 | -16.7 | 0 | 0 | 0 | 111.3 | C102 D103 E104 K109 A110 | C102-D106 PolarHBondContact O-N 3.42Å; C102-D106 VanDerWaalsContact O-N 3.1Å; D103-D106 PolarHBondContact O-N 3.27Å; D103-D106 VanDerWaalsContact O-N 3.11Å; E104-D106 VanDerWaalsContact C-N 3.34Å; D106-K109 PolarHBondContact O-N 2.97Å; D106-K109 IonicContact OD1-NZ 2.77Å; D106-K109 PolarHBondContact OD1-NZ 3Å; D106-A110 WeakPolarHBondContact O-CB 3.46Å; D106-A110 PolarHBondContact O-N 2.88Å |
| 107 | D | 89.6 | Confident | 89.8 | Confident | 117 Ų | 117 | 69.9 Ų | 69.9 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.5 | -46.3 | 170.2 | -75.5 | -19 | 0 | 0 | 0 | 112 | D103 E104 K109 A110 E111 | D103-D107 PolarHBondContact O-N 3.42Å; E104-D107 PolarHBondContact O-N 3.37Å; D107-K109 PolarHBondContact O-N 2.94Å; D107-A110 WeakPolarHBondContact O-CB 3.31Å; D107-A110 PolarHBondContact O-N 3.42Å; D107-E111 WeakPolarHBondContact O-CB 3.48Å; D107-E111 PolarHBondContact O-N 3.26Å |
| 108 | L | 92.5 | Very high | 89.9 | Confident | 12 Ų | 12 | 70 Ų | 70 | 6% | 0.063 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66 | -34.3 | 177.6 | -73.2 | 170.8 | 0 | 0 | 0 | 112.6 | E104 I105 R112 V218 R221 L222 | E104-L108 HydrophobicContact CG-CD1 4.12Å; E104-L108 WeakPolarHBondContact O-CB 3.33Å; E104-L108 VanDerWaalsContact O-CG 3.25Å; E104-L108 WeakPolarHBondContact O-CG 3.49Å; E104-L108 PolarHBondContact O-N 2.95Å; I105-L108 PolarHBondContact O-N 3.27Å; L108-R112 WeakPolarHBondContact O-CB 3.46Å; L108-R112 PolarHBondContact O-N 2.81Å; L108-V218 HydrophobicContact CD2-CG1 4.4Å; L108-R221 HydrophobicContact CD1-CB 4.18Å; L108-R221 HydrophobicContact CD2-CB 4.09Å; L108-L222 HydrophobicContact CB-CB 4.2Å; L108-L222 HydrophobicContact CB-CD1 3.94Å |
| 109 | K | 92.5 | Very high | 90.2 | Very high | 53 Ų | 53 | 69.7 Ų | 69.7 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 172.1 | -76.2 | 173.3 | -164.2 | 152.7 | 0 | 111 | I105 D106 D107 R112 N113 L222 | I105-K109 HydrophobicContact CG2-CD 4.24Å; I105-K109 VanDerWaalsContact CG2-CE 3.4Å; I105-K109 HydrophobicContact CG2-CG 4.46Å; I105-K109 WeakPolarHBondContact O-CB 3.46Å; I105-K109 VanDerWaalsContact O-CG 3.27Å; I105-K109 WeakPolarHBondContact O-CG 3.47Å; I105-K109 PolarHBondContact O-N 2.75Å; D106-K109 PolarHBondContact O-N 2.97Å; D106-K109 IonicContact OD1-NZ 2.77Å; D106-K109 PolarHBondContact OD1-NZ 3Å; D107-K109 PolarHBondContact O-N 2.94Å; K109-R112 PolarHBondContact O-N 2.92Å; K109-N113 WeakPolarHBondContact O-CB 3.32Å; K109-N113 PolarHBondContact O-N 3.16Å; K109-L222 HydrophobicContact CG-CD1 4.02Å; K109-L222 HydrophobicContact CG-CD2 4.09Å |
| 110 | A | 86.2 | Confident | 90.3 | Very high | 48 Ų | 48 | 70.3 Ų | 70.3 | 40% | 0.397 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | D106 D107 R112 N113 N114 | D106-A110 WeakPolarHBondContact O-CB 3.46Å; D106-A110 PolarHBondContact O-N 2.88Å; D107-A110 WeakPolarHBondContact O-CB 3.31Å; D107-A110 PolarHBondContact O-N 3.42Å; A110-R112 PolarHBondContact O-N 3.49Å; A110-N113 PolarHBondContact O-N 2.92Å; A110-N114 VanDerWaalsContact O-CG 3.28Å; A110-N114 PolarHBondContact O-N 2.86Å; A110-N114 PolarHBondContact O-ND2 2.86Å |
| 111 | E | 91.1 | Very high | 90.4 | Very high | 90 Ų | 90 | 70.3 Ų | 70.3 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 175.3 | -170 | 177.6 | -173.6 | 0 | 0 | 111.6 | D107 N113 N114 M115 V218 | D107-E111 WeakPolarHBondContact O-CB 3.48Å; D107-E111 PolarHBondContact O-N 3.26Å; E111-N113 PolarHBondContact O-N 2.82Å; E111-N114 PolarHBondContact O-N 3.47Å; E111-M115 PolarHBondContact O-N 3.33Å; E111-V218 HydrophobicContact CB-CG1 4.25Å; E111-V218 HydrophobicContact CG-CG1 4.29Å; E111-V218 HydrophobicContact CG-CG2 4.2Å |
| 112 | R | 91.9 | Very high | 90.7 | Very high | 82 Ų | 82 | 68.5 Ų | 68.5 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 175.5 | -168.6 | -167.4 | -178.8 | -173.1 | 3.1 | 112.2 | L108 K109 A110 N114 M115 K116 D215 V218 | L108-R112 WeakPolarHBondContact O-CB 3.46Å; L108-R112 PolarHBondContact O-N 2.81Å; K109-R112 PolarHBondContact O-N 2.92Å; A110-R112 PolarHBondContact O-N 3.49Å; R112-N114 VanDerWaalsContact C-N 3.34Å; R112-N114 PolarHBondContact O-N 2.87Å; R112-M115 PolarHBondContact O-N 3.13Å; R112-K116 WeakPolarHBondContact O-CB 3.45Å; R112-K116 PolarHBondContact O-N 3.38Å; R112-D215 WeakPolarHBondContact CG-OD1 3.34Å; R112-V218 HydrophobicContact CB-CG1 3.97Å |
| 113 | N | 91.2 | Very high | 91 | Very high | 61 Ų | 61 | 71.8 Ų | 71.8 | 33% | 0.326 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 178.1 | -173.5 | 46.8 | 0 | 0 | 0 | 111.2 | K109 A110 E111 M115 K116 I117 | K109-N113 WeakPolarHBondContact O-CB 3.32Å; K109-N113 PolarHBondContact O-N 3.16Å; A110-N113 PolarHBondContact O-N 2.92Å; E111-N113 PolarHBondContact O-N 2.82Å; N113-M115 VanDerWaalsContact C-N 3.35Å; N113-M115 PolarHBondContact O-N 3.41Å; N113-K116 PolarHBondContact O-N 3.35Å; N113-I117 WeakPolarHBondContact O-CG1 3.28Å; N113-I117 PolarHBondContact O-N 3.08Å |
| 114 | N | 90.4 | Very high | 91.1 | Very high | 106 Ų | 106 | 71.1 Ų | 71.1 | 57% | 0.567 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.7 | -41.6 | 175.4 | -68.6 | -22.7 | 0 | 0 | 0 | 111.9 | A110 E111 R112 I117 L118 | A110-N114 VanDerWaalsContact O-CG 3.28Å; A110-N114 PolarHBondContact O-N 2.86Å; A110-N114 PolarHBondContact O-ND2 2.86Å; E111-N114 PolarHBondContact O-N 3.47Å; R112-N114 VanDerWaalsContact C-N 3.34Å; R112-N114 PolarHBondContact O-N 2.87Å; N114-I117 PolarHBondContact O-N 3.03Å; N114-L118 WeakPolarHBondContact O-CB 3.3Å; N114-L118 PolarHBondContact O-N 2.93Å |
| 115 | M | 88.8 | Confident | 91.1 | Very high | 21 Ų | 21 | 70 Ų | 70 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.7 | -167.8 | 64.2 | 65.3 | 0 | 0 | 112.1 | E111 R112 N113 L118 L119 H211 L214 D215 | E111-M115 PolarHBondContact O-N 3.33Å; R112-M115 PolarHBondContact O-N 3.13Å; N113-M115 VanDerWaalsContact C-N 3.35Å; N113-M115 PolarHBondContact O-N 3.41Å; M115-L118 WeakPolarHBondContact O-CB 3.35Å; M115-L118 PolarHBondContact O-N 3.39Å; M115-L118 HydrophobicContact SD-CD2 4.47Å; M115-L119 HydrophobicContact CG-CD1 4.37Å; M115-L119 WeakPolarHBondContact O-CB 3.28Å; M115-L119 WeakPolarHBondContact O-CG 3.47Å; M115-L119 PolarHBondContact O-N 3.17Å; M115-H211 HydrophobicContact SD-CB 3.86Å; M115-H211 PolarHBondContact SD-ND1 3.43Å; M115-L214 HydrophobicContact CE-CB 3.79Å; M115-L214 HydrophobicContact CE-CD1 4.26Å; M115-L214 HydrophobicContact SD-CB 4.25Å; M115-D215 HydrophobicContact CB-CB 4.49Å; M115-D215 HydrophobicContact CG-CB 3.62Å |
| 116 | K | 91.4 | Very high | 91.2 | Very high | 128 Ų | 128 | 70.3 Ų | 70.3 | 56% | 0.557 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.6 | -44.5 | 177.1 | -170.8 | -179.1 | 178.7 | -172.1 | 0 | 112.2 | R112 N113 L118 L119 E120 | R112-K116 WeakPolarHBondContact O-CB 3.45Å; R112-K116 PolarHBondContact O-N 3.38Å; N113-K116 PolarHBondContact O-N 3.35Å; K116-L118 VanDerWaalsContact C-N 3.31Å; K116-L118 PolarHBondContact O-N 3.41Å; K116-L119 PolarHBondContact O-N 2.98Å; K116-E120 PolarHBondContact O-N 3.35Å |
| 117 | I | 89.8 | Confident | 91.2 | Very high | 92 Ų | 92 | 68.8 Ų | 68.8 | 47% | 0.472 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 175.3 | -66.7 | 167 | 0 | 0 | 0 | 110.4 | N113 N114 E120 H121 | N113-I117 WeakPolarHBondContact O-CG1 3.28Å; N113-I117 PolarHBondContact O-N 3.08Å; N114-I117 PolarHBondContact O-N 3.03Å; I117-E120 PolarHBondContact O-N 3.26Å; I117-H121 PolarHBondContact O-N 3.46Å |
| 118 | L | 92.2 | Very high | 91 | Very high | 67 Ų | 67 | 70 Ų | 70 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 177 | -177 | 61.2 | 0 | 0 | 0 | 111.8 | N114 M115 K116 H121 L122 H211 | N114-L118 WeakPolarHBondContact O-CB 3.3Å; N114-L118 PolarHBondContact O-N 2.93Å; M115-L118 WeakPolarHBondContact O-CB 3.35Å; M115-L118 PolarHBondContact O-N 3.39Å; M115-L118 HydrophobicContact SD-CD2 4.47Å; K116-L118 VanDerWaalsContact C-N 3.31Å; K116-L118 PolarHBondContact O-N 3.41Å; L118-H121 PolarHBondContact O-N 3.16Å; L118-L122 HydrophobicContact CD1-CD1 4.46Å; L118-L122 HydrophobicContact CD1-CG 4.47Å; L118-L122 HydrophobicContact CG-CD1 4.18Å; L118-L122 WeakPolarHBondContact O-CB 3.42Å; L118-L122 WeakPolarHBondContact O-CG 3.42Å; L118-L122 PolarHBondContact O-N 3Å; L118-H211 WeakPolarHBondContact CD2-CE1 3.47Å; L118-H211 WeakPolarHBondContact CD2-ND1 3.32Å |
| 119 | L | 94.8 | Very high | 90.8 | Very high | 20 Ų | 20 | 72.1 Ų | 72.1 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 175.5 | -78.4 | 170.2 | 0 | 0 | 0 | 112.1 | M115 K116 H121 L122 E123 F208 H211 K212 D215 | M115-L119 HydrophobicContact CG-CD1 4.37Å; M115-L119 WeakPolarHBondContact O-CB 3.28Å; M115-L119 WeakPolarHBondContact O-CG 3.47Å; M115-L119 PolarHBondContact O-N 3.17Å; K116-L119 PolarHBondContact O-N 2.98Å; L119-H121 VanDerWaalsContact C-N 3.31Å; L119-H121 PolarHBondContact O-N 3.3Å; L119-L122 PolarHBondContact O-N 3.27Å; L119-E123 WeakPolarHBondContact O-CB 3.42Å; L119-E123 PolarHBondContact O-N 3.39Å; L119-F208 HydrophobicContact CB-CE2 4.29Å; L119-F208 HydrophobicContact CD2-CD2 3.76Å; L119-F208 HydrophobicContact CD2-CE2 3.71Å; L119-F208 HydrophobicContact CD2-CG 4.44Å; L119-F208 HydrophobicContact CD2-CZ 4.35Å; L119-F208 WeakPolarHBondContact CD2-O 3.44Å; L119-F208 WeakPolarHBondContact O-CE2 3.43Å; L119-H211 HydrophobicContact CD2-CB 3.71Å; L119-H211 HydrophobicContact CG-CB 4.23Å; L119-K212 HydrophobicContact CD2-CB 4.14Å; L119-D215 HydrophobicContact CD1-CB 3.85Å |
| 120 | E | 91.2 | Very high | 90.7 | Very high | 117 Ų | 117 | 72.2 Ų | 72.2 | 55% | 0.547 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 175.3 | -176 | -177.5 | 172.3 | 0 | 0 | 111.6 | K116 I117 E123 N124 | K116-E120 PolarHBondContact O-N 3.35Å; I117-E120 PolarHBondContact O-N 3.26Å; E120-E123 PolarHBondContact O-N 2.94Å; E120-N124 WeakPolarHBondContact O-CB 3.5Å; E120-N124 PolarHBondContact O-N 3.22Å; E120-N124 PolarHBondContact O-ND2 3.42Å |
| 121 | H | 91.9 | Very high | 90.6 | Very high | 106 Ų | 106 | 76.6 Ų | 76.6 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.4 | -167.6 | 82.9 | 0 | 0 | 0 | 112 | I117 L118 L119 N124 L125 | I117-H121 PolarHBondContact O-N 3.46Å; L118-H121 PolarHBondContact O-N 3.16Å; L119-H121 VanDerWaalsContact C-N 3.31Å; L119-H121 PolarHBondContact O-N 3.3Å; H121-N124 PolarHBondContact O-N 3.15Å; H121-L125 WeakPolarHBondContact O-CB 3.49Å; H121-L125 PolarHBondContact O-N 3.45Å |
| 122 | L | 94.1 | Very high | 90.2 | Very high | 10 Ų | 10 | 74.9 Ų | 74.9 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.3 | -41 | 177.4 | -74.5 | 174 | 0 | 0 | 0 | 111.7 | L118 L119 L125 V126 L207 F208 H211 | L118-L122 HydrophobicContact CD1-CD1 4.46Å; L118-L122 HydrophobicContact CD1-CG 4.47Å; L118-L122 HydrophobicContact CG-CD1 4.18Å; L118-L122 WeakPolarHBondContact O-CB 3.42Å; L118-L122 WeakPolarHBondContact O-CG 3.42Å; L118-L122 PolarHBondContact O-N 3Å; L119-L122 PolarHBondContact O-N 3.27Å; L122-L125 PolarHBondContact O-N 3.47Å; L122-V126 WeakPolarHBondContact O-CB 3.43Å; L122-V126 VanDerWaalsContact O-CG2 3.26Å; L122-V126 WeakPolarHBondContact O-CG2 3.47Å; L122-V126 PolarHBondContact O-N 3.25Å; L122-L207 HydrophobicContact CD1-CD2 4.48Å; L122-L207 HydrophobicContact CD1-CG 4.16Å; L122-L207 HydrophobicContact CD2-CD2 3.88Å; L122-L207 HydrophobicContact CD2-CG 4.34Å; L122-F208 HydrophobicContact CB-CB 4.39Å; L122-F208 HydrophobicContact CB-CD2 3.82Å; L122-H211 HydrophobicContact CD1-CB 4.37Å |
| 123 | E | 92.3 | Very high | 89.8 | Confident | 117 Ų | 117 | 72.3 Ų | 72.3 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 174.7 | -175 | 172.1 | -162.5 | 0 | 0 | 110.9 | L119 E120 L125 V126 A127 F208 | L119-E123 WeakPolarHBondContact O-CB 3.42Å; L119-E123 PolarHBondContact O-N 3.39Å; E120-E123 PolarHBondContact O-N 2.94Å; E123-L125 VanDerWaalsContact C-N 3.29Å; E123-L125 PolarHBondContact O-N 3.36Å; E123-V126 PolarHBondContact O-N 3.3Å; E123-A127 WeakPolarHBondContact O-CB 3.36Å; E123-A127 PolarHBondContact O-N 3.4Å; E123-F208 HydrophobicContact CB-CD2 4.42Å; E123-F208 HydrophobicContact CB-CE2 3.8Å; E123-F208 HydrophobicContact CB-CZ 4.42Å |
| 124 | N | 89.6 | Confident | 89.3 | Confident | 80 Ų | 80 | 77 Ų | 77 | 43% | 0.428 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.7 | -35.7 | 175.1 | -78.8 | -44.8 | 0 | 0 | 0 | 112.6 | E120 H121 R128 | E120-N124 WeakPolarHBondContact O-CB 3.5Å; E120-N124 PolarHBondContact O-N 3.22Å; E120-N124 PolarHBondContact O-ND2 3.42Å; H121-N124 PolarHBondContact O-N 3.15Å; N124-R128 WeakPolarHBondContact O-CB 3.45Å; N124-R128 VanDerWaalsContact O-CG 3.24Å; N124-R128 WeakPolarHBondContact O-CG 3.2Å; N124-R128 PolarHBondContact O-N 2.92Å; N124-R128 PolarHBondContact O-NE 3.28Å; N124-R128 VanDerWaalsContact O-NE 3.14Å |
| 125 | L | 91.6 | Very high | 88.5 | Confident | 45 Ų | 45 | 77.6 Ų | 77.6 | 24% | 0.236 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71.7 | -41.6 | 177.7 | -171.2 | 62.1 | 0 | 0 | 0 | 112 | H121 L122 E123 R128 H129 L204 | H121-L125 WeakPolarHBondContact O-CB 3.49Å; H121-L125 PolarHBondContact O-N 3.45Å; L122-L125 PolarHBondContact O-N 3.47Å; E123-L125 VanDerWaalsContact C-N 3.29Å; E123-L125 PolarHBondContact O-N 3.36Å; L125-R128 PolarHBondContact O-N 3.5Å; L125-H129 PolarHBondContact O-N 2.97Å; L125-H129 PolarHBondContact O-ND1 3.31Å; L125-L204 HydrophobicContact CD2-CD1 4.31Å; L125-L204 HydrophobicContact CD2-CD2 3.75Å; L125-L204 HydrophobicContact CG-CD1 4.15Å; L125-L204 HydrophobicContact CG-CD2 4.41Å |
| 126 | V | 92.3 | Very high | 88.1 | Confident | 17 Ų | 17 | 78.5 Ų | 78.5 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 173.8 | 169 | 0 | 0 | 0 | 0 | 110 | L122 E123 R128 H129 E130 L201 L204 K205 | L122-V126 WeakPolarHBondContact O-CB 3.43Å; L122-V126 VanDerWaalsContact O-CG2 3.26Å; L122-V126 WeakPolarHBondContact O-CG2 3.47Å; L122-V126 PolarHBondContact O-N 3.25Å; E123-V126 PolarHBondContact O-N 3.3Å; V126-R128 VanDerWaalsContact C-N 3.34Å; V126-R128 PolarHBondContact O-N 3.27Å; V126-H129 PolarHBondContact O-N 2.74Å; V126-E130 WeakPolarHBondContact O-CB 3.32Å; V126-E130 PolarHBondContact O-N 2.94Å; V126-L201 HydrophobicContact CG1-CD1 4.04Å; V126-L204 HydrophobicContact CG2-CB 3.82Å; V126-K205 HydrophobicContact CG1-CD 4.33Å; V126-K205 HydrophobicContact CG1-CG 3.73Å; V126-K205 HydrophobicContact CG2-CG 4.28Å |
| 127 | A | 90 | Very high | 87.4 | Confident | 56 Ų | 56 | 74.9 Ų | 74.9 | 46% | 0.463 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E123 E130 K131 | E123-A127 WeakPolarHBondContact O-CB 3.36Å; E123-A127 PolarHBondContact O-N 3.4Å; A127-E130 PolarHBondContact O-N 3.04Å; A127-K131 WeakPolarHBondContact O-CB 3.35Å; A127-K131 PolarHBondContact O-N 2.96Å |
| 128 | R | 86.1 | Confident | 86.7 | Confident | 142 Ų | 142 | 74.4 Ų | 74.4 | 54% | 0.536 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 175.1 | -79.7 | -178.2 | -69.4 | -172.7 | 1.5 | 112.5 | N124 L125 V126 E130 K131 S132 | N124-R128 WeakPolarHBondContact O-CB 3.45Å; N124-R128 VanDerWaalsContact O-CG 3.24Å; N124-R128 WeakPolarHBondContact O-CG 3.2Å; N124-R128 PolarHBondContact O-N 2.92Å; N124-R128 PolarHBondContact O-NE 3.28Å; N124-R128 VanDerWaalsContact O-NE 3.14Å; L125-R128 PolarHBondContact O-N 3.5Å; V126-R128 VanDerWaalsContact C-N 3.34Å; V126-R128 PolarHBondContact O-N 3.27Å; R128-E130 VanDerWaalsContact C-N 3.34Å; R128-K131 PolarHBondContact O-N 3.43Å; R128-S132 WeakPolarHBondContact O-CB 3.29Å; R128-S132 PolarHBondContact O-N 2.89Å |
| 129 | H | 87.3 | Confident | 85.8 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 26% | 0.259 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 176.5 | -81.9 | 80.2 | 0 | 0 | 0 | 111.4 | L125 V126 S132 L133 L201 L204 | L125-H129 PolarHBondContact O-N 2.97Å; L125-H129 PolarHBondContact O-ND1 3.31Å; V126-H129 PolarHBondContact O-N 2.74Å; H129-S132 WeakPolarHBondContact O-CB 3.23Å; H129-S132 PolarHBondContact O-N 3.01Å; H129-L133 WeakPolarHBondContact O-CB 3.45Å; H129-L133 PolarHBondContact O-N 2.9Å; H129-L201 HydrophobicContact CB-CD1 3.75Å; H129-L204 HydrophobicContact CB-CD1 4.42Å |
| 130 | E | 91.1 | Very high | 84.5 | Confident | 55 Ų | 55 | 83.3 Ų | 83.3 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 175.5 | -170.7 | 170.5 | 149.1 | 0 | 0 | 111.7 | V126 A127 R128 L133 R134 L201 K205 | V126-E130 WeakPolarHBondContact O-CB 3.32Å; V126-E130 PolarHBondContact O-N 2.94Å; A127-E130 PolarHBondContact O-N 3.04Å; R128-E130 VanDerWaalsContact C-N 3.34Å; E130-L133 PolarHBondContact O-N 3.34Å; E130-R134 WeakPolarHBondContact O-CG 3.39Å; E130-R134 PolarHBondContact O-N 3.37Å; E130-R134 IonicContact OE1-CZ 3.64Å; E130-R134 IonicContact OE1-NE 3.97Å; E130-R134 PolarHBondContact OE1-NE 3.43Å; E130-R134 IonicContact OE1-NH2 2.97Å; E130-R134 PolarHBondContact OE1-NH2 2.94Å; E130-L201 HydrophobicContact CB-CD1 4.39Å; E130-L201 HydrophobicContact CB-CD2 4.26Å; E130-L201 HydrophobicContact CG-CD2 4.48Å; E130-K205 IonicContact OE2-NZ 3Å; E130-K205 PolarHBondContact OE2-NZ 2.98Å |
| 131 | K | 83.5 | Confident | 83.4 | Confident | 141 Ų | 141 | 83.8 Ų | 83.8 | 61% | 0.613 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | 174.2 | -173.7 | 177 | 179.7 | 178 | 0 | 112.1 | A127 R128 L133 R134 M135 | A127-K131 WeakPolarHBondContact O-CB 3.35Å; A127-K131 PolarHBondContact O-N 2.96Å; R128-K131 PolarHBondContact O-N 3.43Å; K131-L133 VanDerWaalsContact C-N 3.33Å; K131-L133 PolarHBondContact O-N 3.23Å; K131-R134 PolarHBondContact O-N 3.14Å; K131-M135 WeakPolarHBondContact O-CG 3.41Å; K131-M135 PolarHBondContact O-N 2.94Å |
| 132 | S | 82.2 | Confident | 82 | Confident | 53 Ų | 53 | 82.4 Ų | 82.4 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.1 | -49.2 | 174.3 | 179 | 0 | 0 | 0 | 0 | 110.7 | R128 H129 R134 M135 T136 E197 | R128-S132 WeakPolarHBondContact O-CB 3.29Å; R128-S132 PolarHBondContact O-N 2.89Å; H129-S132 WeakPolarHBondContact O-CB 3.23Å; H129-S132 PolarHBondContact O-N 3.01Å; S132-R134 PolarHBondContact O-N 3.38Å; S132-M135 PolarHBondContact O-N 3.18Å; S132-T136 PolarHBondContact O-N 3.03Å; S132-T136 PolarHBondContact O-OG1 3.14Å; S132-T136 VanDerWaalsContact O-OG1 3.11Å; S132-E197 PolarHBondContact OG-OE1 2.86Å |
| 133 | L | 84.4 | Confident | 80.2 | Confident | 29 Ų | 29 | 85.4 Ų | 85.4 | 15% | 0.152 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 178.9 | -167.3 | 74.9 | 0 | 0 | 0 | 111.6 | H129 E130 K131 M135 T136 V137 L194 E197 V198 L201 | H129-L133 WeakPolarHBondContact O-CB 3.45Å; H129-L133 PolarHBondContact O-N 2.9Å; E130-L133 PolarHBondContact O-N 3.34Å; K131-L133 VanDerWaalsContact C-N 3.33Å; K131-L133 PolarHBondContact O-N 3.23Å; L133-M135 VanDerWaalsContact C-N 3.33Å; L133-M135 PolarHBondContact O-N 3.31Å; L133-T136 PolarHBondContact O-N 2.82Å; L133-V137 WeakPolarHBondContact O-CB 3.36Å; L133-V137 VanDerWaalsContact O-CG2 3.27Å; L133-V137 WeakPolarHBondContact O-CG2 3.46Å; L133-V137 PolarHBondContact O-N 2.88Å; L133-L194 HydrophobicContact CD1-CD2 4.09Å; L133-E197 HydrophobicContact CD1-CB 4.08Å; L133-E197 HydrophobicContact CD1-CG 3.99Å; L133-V198 HydrophobicContact CD1-CG2 4.01Å; L133-V198 HydrophobicContact CD2-CG2 3.86Å; L133-L201 HydrophobicContact CD2-CD2 4.28Å |
| 134 | R | 81.2 | Confident | 78.6 | Confident | 160 Ų | 160 | 83.8 Ų | 83.8 | 60% | 0.604 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.7 | -43.3 | 174.5 | -72.3 | 177.4 | -171.2 | -125.4 | 5.8 | 111.7 | E130 K131 S132 V137 V138 | E130-R134 WeakPolarHBondContact O-CG 3.39Å; E130-R134 PolarHBondContact O-N 3.37Å; E130-R134 IonicContact OE1-CZ 3.64Å; E130-R134 IonicContact OE1-NE 3.97Å; E130-R134 PolarHBondContact OE1-NE 3.43Å; E130-R134 IonicContact OE1-NH2 2.97Å; E130-R134 PolarHBondContact OE1-NH2 2.94Å; K131-R134 PolarHBondContact O-N 3.14Å; S132-R134 PolarHBondContact O-N 3.38Å; R134-V137 PolarHBondContact O-N 3.35Å; R134-V138 WeakPolarHBondContact O-CB 3.44Å; R134-V138 VanDerWaalsContact O-CG2 3.23Å; R134-V138 WeakPolarHBondContact O-CG2 3.45Å; R134-V138 PolarHBondContact O-N 2.83Å |
| 135 | M | 73.6 | Confident | 76.9 | Confident | 117 Ų | 117 | 83.2 Ų | 83.2 | 58% | 0.576 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.3 | -40.6 | 177.3 | -71.1 | -59 | -63.1 | 0 | 0 | 112.4 | K131 S132 L133 V138 K139 | K131-M135 WeakPolarHBondContact O-CG 3.41Å; K131-M135 PolarHBondContact O-N 2.94Å; S132-M135 PolarHBondContact O-N 3.18Å; L133-M135 VanDerWaalsContact C-N 3.33Å; L133-M135 PolarHBondContact O-N 3.31Å; M135-V138 PolarHBondContact O-N 2.92Å; M135-K139 VanDerWaalsContact O-CB 3.29Å; M135-K139 WeakPolarHBondContact O-CB 3.47Å; M135-K139 PolarHBondContact O-N 3.32Å |
| 136 | T | 79.8 | Confident | 74.8 | Confident | 41 Ų | 41 | 88.7 Ų | 88.7 | 25% | 0.252 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 175.9 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | S132 L133 R140 L194 | S132-T136 PolarHBondContact O-N 3.03Å; S132-T136 PolarHBondContact O-OG1 3.14Å; S132-T136 VanDerWaalsContact O-OG1 3.11Å; L133-T136 PolarHBondContact O-N 2.82Å; T136-R140 PolarHBondContact O-N 3.16Å; T136-R140 VanDerWaalsContact O-N 3.13Å; T136-L194 HydrophobicContact CG2-CD2 4.09Å |
| 137 | V | 75.8 | Confident | 72.7 | Confident | 52 Ų | 52 | 91.4 Ų | 91.4 | 32% | 0.315 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.7 | -49.2 | 174.6 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | L133 R134 K139 R140 H141 | L133-V137 WeakPolarHBondContact O-CB 3.36Å; L133-V137 VanDerWaalsContact O-CG2 3.27Å; L133-V137 WeakPolarHBondContact O-CG2 3.46Å; L133-V137 PolarHBondContact O-N 2.88Å; R134-V137 PolarHBondContact O-N 3.35Å; V137-K139 PolarHBondContact O-N 3.41Å; V137-R140 PolarHBondContact O-N 3.02Å; V137-H141 PolarHBondContact O-CD2 3.3Å; V137-H141 PolarHBondContact O-N 3.42Å |
| 138 | V | 75.4 | Confident | 70.6 | Confident | 81 Ų | 81 | 95.4 Ų | 95.4 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 176.8 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | R134 M135 R140 H141 T142 | R134-V138 WeakPolarHBondContact O-CB 3.44Å; R134-V138 VanDerWaalsContact O-CG2 3.23Å; R134-V138 WeakPolarHBondContact O-CG2 3.45Å; R134-V138 PolarHBondContact O-N 2.83Å; M135-V138 PolarHBondContact O-N 2.92Å; V138-R140 VanDerWaalsContact C-N 3.28Å; V138-R140 PolarHBondContact O-N 3.4Å; V138-H141 PolarHBondContact O-N 3.28Å; V138-T142 PolarHBondContact O-N 2.95Å; V138-T142 PolarHBondContact O-OG1 3.42Å |
| 139 | K | 73.3 | Confident | 68.2 | Low | 154 Ų | 154 | 93.1 Ų | 93.1 | 67% | 0.67 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64 | -31.2 | -179.7 | -169.8 | 172.9 | -177.5 | 175.8 | 0 | 112.8 | M135 V137 T142 S143 | M135-K139 VanDerWaalsContact O-CB 3.29Å; M135-K139 WeakPolarHBondContact O-CB 3.47Å; M135-K139 PolarHBondContact O-N 3.32Å; V137-K139 PolarHBondContact O-N 3.41Å; K139-T142 PolarHBondContact O-OG1 3.35Å; K139-S143 WeakPolarHBondContact O-CB 3.49Å; K139-S143 PolarHBondContact O-N 3.23Å; K139-S143 PolarHBondContact O-OG 2.87Å |
| 140 | R | 67.2 | Low | 65.7 | Low | 120 Ų | 120 | 96.2 Ų | 96.2 | 45% | 0.453 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -76.2 | -37.8 | 173.2 | -74.8 | -167 | 179.9 | 119.1 | -1.7 | 112.3 | T136 V137 V138 S143 T144 | T136-R140 PolarHBondContact O-N 3.16Å; T136-R140 VanDerWaalsContact O-N 3.13Å; V137-R140 PolarHBondContact O-N 3.02Å; V138-R140 VanDerWaalsContact C-N 3.28Å; V138-R140 PolarHBondContact O-N 3.4Å; R140-S143 PolarHBondContact O-N 3Å; R140-T144 PolarHBondContact O-N 2.88Å; R140-T144 PolarHBondContact O-OG1 2.9Å |
| 141 | H | 68.3 | Low | 63 | Low | 127 Ų | 127 | 101.4 Ų | 101.4 | 59% | 0.588 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.7 | -42.7 | 174.3 | -77.3 | -63.4 | 0 | 0 | 0 | 112.3 | V137 V138 S143 T144 A145 | V137-H141 PolarHBondContact O-CD2 3.3Å; V137-H141 PolarHBondContact O-N 3.42Å; V138-H141 PolarHBondContact O-N 3.28Å; H141-S143 VanDerWaalsContact C-N 3.33Å; H141-S143 PolarHBondContact O-N 3.24Å; H141-T144 PolarHBondContact O-N 3.5Å; H141-A145 WeakPolarHBondContact O-CB 3.4Å; H141-A145 PolarHBondContact O-N 2.93Å |
| 142 | T | 63.9 | Low | 60.5 | Low | 77 Ų | 77 | 99.5 Ų | 99.5 | 47% | 0.472 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -38.3 | 176 | 55.8 | 0 | 0 | 0 | 0 | 112 | V138 K139 T144 A145 M146 | V138-T142 PolarHBondContact O-N 2.95Å; V138-T142 PolarHBondContact O-OG1 3.42Å; K139-T142 PolarHBondContact O-OG1 3.35Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 3.26Å; T142-A145 PolarHBondContact O-N 2.89Å; T142-M146 WeakPolarHBondContact O-CG 3.26Å; T142-M146 PolarHBondContact O-N 3.42Å |
| 143 | S | 55.2 | Low | 57.7 | Low | 74 Ų | 74 | 104.8 Ų | 104.8 | 52% | 0.517 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.6 | -34.5 | 176.1 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | K139 R140 H141 | K139-S143 WeakPolarHBondContact O-CB 3.49Å; K139-S143 PolarHBondContact O-N 3.23Å; K139-S143 PolarHBondContact O-OG 2.87Å; R140-S143 PolarHBondContact O-N 3Å; H141-S143 VanDerWaalsContact C-N 3.33Å; H141-S143 PolarHBondContact O-N 3.24Å |
| 144 | T | 59.7 | Low | 55.1 | Low | 83 Ų | 83 | 110.7 Ų | 110.7 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -79 | -31.3 | 178.5 | -39.3 | 0 | 0 | 0 | 0 | 111.8 | R140 H141 T142 M146 S147 | R140-T144 PolarHBondContact O-N 2.88Å; R140-T144 PolarHBondContact O-OG1 2.9Å; H141-T144 PolarHBondContact O-N 3.5Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 3.26Å; T144-M146 VanDerWaalsContact C-N 3.3Å; T144-M146 PolarHBondContact O-N 3.01Å; T144-S147 PolarHBondContact O-N 3.44Å; T144-S147 PolarHBondContact O-OG 3.4Å |
| 145 | A | 52.6 | Low | 53.4 | Low | 67 Ų | 67 | 108.5 Ų | 108.5 | 55% | 0.554 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.6 | -32.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H141 T142 S147 | H141-A145 WeakPolarHBondContact O-CB 3.4Å; H141-A145 PolarHBondContact O-N 2.93Å; T142-A145 PolarHBondContact O-N 2.89Å; A145-S147 VanDerWaalsContact C-N 3.27Å; A145-S147 PolarHBondContact O-N 2.92Å |
| 146 | M | 48.6 | Very low | 51.1 | Low | 160 Ų | 160 | 106.9 Ų | 106.9 | 79% | 0.788 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -14.8 | 178.6 | -69.9 | -174.4 | 74.6 | 0 | 0 | 114.2 | T142 T144 | T142-M146 WeakPolarHBondContact O-CG 3.26Å; T142-M146 PolarHBondContact O-N 3.42Å; T144-M146 VanDerWaalsContact C-N 3.3Å; T144-M146 PolarHBondContact O-N 3.01Å |
| 147 | S | 48.2 | Very low | 48.7 | Very low | 75 Ų | 75 | 108.9 Ų | 108.9 | 52% | 0.524 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.8 | -11.6 | 178.4 | 53.3 | 0 | 0 | 0 | 0 | 115 | T144 A145 | T144-S147 PolarHBondContact O-N 3.44Å; T144-S147 PolarHBondContact O-OG 3.4Å; A145-S147 VanDerWaalsContact C-N 3.27Å; A145-S147 PolarHBondContact O-N 2.92Å |
| 148 | N | 44.7 | Very low | 46.3 | Very low | 139 Ų | 139 | 112.8 Ų | 112.8 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -108 | 8.9 | -172.8 | -76.5 | 7.2 | 0 | 0 | 0 | 115.6 | T150 | N148-T150 PolarHBondContact O-N 2.9Š|
| 149 | S | 37.2 | Very low | 44 | Very low | 95 Ų | 95 | 117.4 Ų | 117.4 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | trans | -101.8 | 58.4 | 177.5 | 56.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 150 | T | 34.4 | Very low | 42 | Very low | 120 Ų | 120 | 114 Ų | 114 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | trans | -138.9 | 78.4 | 155.5 | 55.2 | 0 | 0 | 0 | 0 | 108.6 | N148 | N148-T150 PolarHBondContact O-N 2.9Š| ||
| 151 | N | 34 | Very low | 40 | Very low | 164 Ų | 164 | 116.3 Ų | 116.3 | 88% | 0.877 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -156.5 | 135.2 | 153.3 | -93.9 | -28 | 0 | 0 | 0 | 110.2 | ||
| 152 | S | 30 | Very low | 38.1 | Very low | 102 Ų | 102 | 113.9 Ų | 113.9 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | -33.9 | 128.8 | -176.2 | 52.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 153 | L | 24.6 | Very low | 36.3 | Very low | 163 Ų | 163 | 119.2 Ų | 119.2 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | 64.3 | 139.5 | 81.5 | -98.7 | 144.2 | 0 | 0 | 0 | 115 | |||||
| 154 | I | 29.7 | Very low | 35 | Very low | 153 Ų | 153 | 122 Ų | 122 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 86.1 | 146.9 | 166 | -15.4 | 175 | 0 | 0 | 0 | 116.9 | ||||
| 155 | P | 45.5 | Very low | 33.3 | Very low | 114 Ų | 114 | 124 Ų | 124 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | -137.7 | 170.5 | -79.4 | 43.1 | -27.4 | 0 | 0 | 0 | 114.7 | |||||
| 156 | G | 24.4 | Very low | 32.1 | Very low | 84 Ų | 84 | 127.1 Ų | 127.1 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | 65.9 | 99.6 | 131 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 157 | G | 30.6 | Very low | 31 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -155.9 | 89.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 158 | T | 25.7 | Very low | 29.8 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -76.8 | 167.4 | 167 | 33.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 159 | M | 27.1 | Very low | 29.1 | Very low | 179 Ų | 179 | 131 Ų | 131 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | 91.5 | 139.8 | 170.4 | -48 | -63.9 | -83.4 | 0 | 0 | 113.9 | ||||
| 160 | A | 29.9 | Very low | 28.4 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | cis | -170.8 | 160.3 | -13.7 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 161 | D | 26 | Very low | 28 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -29 | 144.7 | 173.2 | -56.8 | -45.6 | 0 | 0 | 0 | 117.9 | ||||
| 162 | G | 29.1 | Very low | 27.7 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -178.4 | 75.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 163 | E | 24.3 | Very low | 27.3 | Very low | 190 Ų | 190 | 134.9 Ų | 134.9 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -61.9 | 124.4 | 158.4 | -71.4 | 178.1 | 147.6 | 0 | 0 | 109.6 | ||||
| 164 | T | 27.8 | Very low | 27.5 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | -168.4 | 104.9 | 140.4 | 4.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 165 | V | 25.6 | Very low | 27.3 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | 13 | 118.7 | 135.9 | -172.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 166 | C | 25.7 | Very low | 26.6 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 89% | 0.892 | 81% | 0.807 | S | S | * | * | trans | -141.4 | 122.8 | 146.4 | -90 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 167 | S | 25.7 | Very low | 26.6 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -74.7 | 140.4 | 179.2 | -52.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 168 | E | 24.5 | Very low | 26.4 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | 29.7 | 108.8 | 127.6 | -159.4 | 168.2 | -154.4 | 0 | 0 | 118.1 | |||||
| 169 | M | 29.5 | Very low | 26.4 | Very low | 197 Ų | 197 | 140.4 Ų | 140.4 | 97% | 0.97 | 80% | 0.802 | S | S | * | * | trans | -158.4 | 154.6 | 131.6 | -124.5 | -177.6 | -153.1 | 0 | 0 | 111.6 | ||||
| 170 | D | 23.3 | Very low | 26.4 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 58% | 0.583 | 80% | 0.796 | S | S | * | * | trans | -107.1 | 160.6 | -148.3 | -118.3 | -28.4 | 0 | 0 | 0 | 112 | ||||
| 171 | I | 24.4 | Very low | 26.2 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 70% | 0.703 | 80% | 0.799 | S | S | * | * | trans | 73.3 | 112.3 | 149.3 | -57.7 | 157.1 | 0 | 0 | 0 | 117.4 | ||||
| 172 | L | 28.1 | Very low | 26.2 | Very low | 160 Ų | 160 | 138 Ų | 138 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | -176.6 | 118.5 | 107.2 | -89.5 | 177.6 | 0 | 0 | 0 | 111.3 | |||||
| 173 | N | 22.6 | Very low | 26.1 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -59.9 | 138.4 | 157.8 | -82.4 | -30.4 | 0 | 0 | 0 | 110.3 | ||||
| 174 | S | 27.6 | Very low | 26.2 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -170.4 | 126.9 | 146 | -75 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 175 | S | 25 | Very low | 26.2 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -44.9 | 155.1 | 179.4 | -50.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 176 | P | 32.2 | Very low | 26.3 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | -145.1 | 137.6 | 106.7 | 32.5 | -15.2 | 0 | 0 | 0 | 115.2 | |||||
| 177 | N | 24.4 | Very low | 26.5 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -58.6 | 131.1 | 155.2 | -77.7 | -39.6 | 0 | 0 | 0 | 110.1 | ||||
| 178 | Y | 25.2 | Very low | 26.8 | Very low | 231 Ų | 231 | 135 Ų | 135 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -154.3 | 120.4 | 145.1 | -118.9 | -85 | 0 | 0 | 0 | 110.4 | ||||
| 179 | S | 26.2 | Very low | 27.4 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | -71.2 | 141.2 | 165.4 | 107 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 180 | M | 28.5 | Very low | 27.9 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -167.7 | 116.6 | 142.3 | -94.9 | -44.6 | -144.9 | 0 | 0 | 111.8 | ||||
| 181 | N | 25.6 | Very low | 28.8 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 52.4 | 107.6 | 132.2 | -67.2 | -8.6 | 0 | 0 | 0 | 121.9 | ||||
| 182 | A | 25.8 | Very low | 30.1 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | 1.2 | 131.5 | 128 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 183 | T | 25.4 | Very low | 31.4 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -169.6 | 133.9 | 130.9 | -69.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 184 | T | 28.2 | Very low | 32.9 | Very low | 131 Ų | 131 | 116.8 Ų | 116.8 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 64.7 | 102.2 | 158.9 | 57.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 185 | G | 27.3 | Very low | 34.5 | Very low | 83 Ų | 83 | 112.5 Ų | 112.5 | 86% | 0.856 | 71% | 0.712 | S | S | * | * | 72 | 75 | 103.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 186 | S | 28.3 | Very low | 37 | Very low | 99 Ų | 99 | 110.6 Ų | 110.6 | 69% | 0.692 | 70% | 0.699 | S | S | * | * | trans | -142.9 | 119.7 | 142.1 | 64.7 | 0 | 0 | 0 | 0 | 108.9 | S188 | S186-S188 VanDerWaalsContact C-N 3.34Å; S186-S188 PolarHBondContact O-N 3.49Å | ||
| 187 | T | 29.2 | Very low | 39 | Very low | 158 Ų | 158 | 107 Ų | 107 | 97% | 0.969 | 67% | 0.672 | S | S | * | * | trans | -55.9 | 92.9 | 174.1 | 13.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 188 | S | 31.4 | Very low | 41.7 | Very low | 95 Ų | 95 | 103 Ų | 103 | 66% | 0.664 | 65% | 0.653 | S | S | * | * | trans | -87.3 | 138.5 | 168.4 | -64.4 | 0 | 0 | 0 | 0 | 108.8 | S186 S190 | S186-S188 VanDerWaalsContact C-N 3.34Å; S186-S188 PolarHBondContact O-N 3.49Å; S188-S190 PolarHBondContact O-N 2.95Å | ||
| 189 | P | 38.2 | Very low | 44.6 | Very low | 122 Ų | 122 | 98.5 Ų | 98.5 | 79% | 0.792 | 64% | 0.64 | S | S | * | * | trans | -64.8 | 130.3 | -173.1 | 27.1 | -32.3 | 0 | 0 | 0 | 110.1 | M191 | P189-M191 PolarHBondContact O-N 2.77Å; P189-M191 VanDerWaalsContact O-N 3.14Å | ||
| 190 | S | 38.5 | Very low | 47.3 | Very low | 108 Ų | 108 | 97.2 Ų | 97.2 | 76% | 0.755 | 63% | 0.627 | S | S | * | * | trans | -50.8 | 113.7 | -174.8 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | S188 A192 | S188-S190 PolarHBondContact O-N 2.95Å; S190-A192 PolarHBondContact O-N 3.43Å; S190-A192 VanDerWaalsContact O-N 3.1Å | ||
| 191 | M | 43.4 | Very low | 50.1 | Low | 145 Ų | 145 | 90.6 Ų | 90.6 | 71% | 0.714 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -69.3 | 8.4 | 173.5 | -82.1 | -75.5 | -72.8 | 0 | 0 | 114.7 | P189 G193 L194 | P189-M191 PolarHBondContact O-N 2.77Å; P189-M191 VanDerWaalsContact O-N 3.14Å; M191-G193 PolarHBondContact O-N 3.47Å; M191-G193 VanDerWaalsContact O-N 3.08Å; M191-L194 HydrophobicContact CE-CD1 3.78Å; M191-L194 PolarHBondContact O-N 3.28Å; M191-L194 HydrophobicContact SD-CD1 4.21Å |
| 192 | A | 50.3 | Low | 53.2 | Low | 86 Ų | 86 | 91.9 Ų | 91.9 | 71% | 0.711 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -63.1 | -20.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S190 | S190-A192 PolarHBondContact O-N 3.43Å; S190-A192 VanDerWaalsContact O-N 3.1Å |
| 193 | G | 56.5 | Low | 56.2 | Low | 49 Ų | 49 | 90.4 Ų | 90.4 | 51% | 0.505 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -83.6 | -5.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | M191 | M191-G193 PolarHBondContact O-N 3.47Å; M191-G193 VanDerWaalsContact O-N 3.08Å |
| 194 | L | 53.3 | Low | 59.4 | Low | 24 Ų | 24 | 85.7 Ų | 85.7 | 13% | 0.126 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -92.3 | -19.6 | 175.3 | -74.2 | 172.8 | 0 | 0 | 0 | 113 | L133 T136 M191 S196 E197 V198 | L133-L194 HydrophobicContact CD1-CD2 4.09Å; T136-L194 HydrophobicContact CG2-CD2 4.09Å; M191-L194 HydrophobicContact CE-CD1 3.78Å; M191-L194 PolarHBondContact O-N 3.28Å; M191-L194 HydrophobicContact SD-CD1 4.21Å; L194-S196 PolarHBondContact O-N 3.13Å; L194-E197 PolarHBondContact O-N 2.89Å; L194-V198 WeakPolarHBondContact O-CG2 3.34Å; L194-V198 PolarHBondContact O-N 3.27Å; L194-V198 VanDerWaalsContact O-N 3.13Å |
| 195 | G | 62.3 | Low | 62.5 | Low | 31 Ų | 31 | 83.9 Ų | 83.9 | 32% | 0.32 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.3 | -48.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E197 V198 E199 | G195-E197 PolarHBondContact O-N 3.11Å; G195-V198 PolarHBondContact O-N 2.87Å; G195-E199 WeakPolarHBondContact O-CB 3.47Å; G195-E199 VanDerWaalsContact O-CG 3.24Å; G195-E199 WeakPolarHBondContact O-CG 3.47Å; G195-E199 PolarHBondContact O-N 3.42Å |
| 196 | S | 77.7 | Confident | 65.5 | Low | 77 Ų | 77 | 83.8 Ų | 83.8 | 54% | 0.538 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -37.6 | -177.6 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | L194 V200 | L194-S196 PolarHBondContact O-N 3.13Å; S196-V200 WeakPolarHBondContact O-CB 3.19Å; S196-V200 WeakPolarHBondContact O-CG2 3.32Å; S196-V200 PolarHBondContact O-N 3.42Å |
| 197 | E | 74.2 | Confident | 68.5 | Low | 48 Ų | 48 | 82.7 Ų | 82.7 | 22% | 0.224 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -73.6 | -35.7 | 180 | -163.1 | 174.9 | -176.4 | 0 | 0 | 111.4 | S132 L133 L194 G195 L201 | S132-E197 PolarHBondContact OG-OE1 2.86Å; L133-E197 HydrophobicContact CD1-CB 4.08Å; L133-E197 HydrophobicContact CD1-CG 3.99Å; L194-E197 PolarHBondContact O-N 2.89Å; G195-E197 PolarHBondContact O-N 3.11Å; E197-L201 PolarHBondContact O-N 2.92Å |
| 198 | V | 80.7 | Confident | 71.6 | Confident | 71 Ų | 71 | 77.4 Ų | 77.4 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 173.7 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | L133 L194 G195 L201 K202 | L133-V198 HydrophobicContact CD1-CG2 4.01Å; L133-V198 HydrophobicContact CD2-CG2 3.86Å; L194-V198 WeakPolarHBondContact O-CG2 3.34Å; L194-V198 PolarHBondContact O-N 3.27Å; L194-V198 VanDerWaalsContact O-N 3.13Å; G195-V198 PolarHBondContact O-N 2.87Å; V198-L201 PolarHBondContact O-N 3.18Å; V198-K202 WeakPolarHBondContact O-CB 3.43Å; V198-K202 PolarHBondContact O-N 3.32Å |
| 199 | E | 84.8 | Confident | 74.5 | Confident | 137 Ų | 137 | 77.2 Ų | 77.2 | 64% | 0.64 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.2 | -43.1 | 175 | -76.6 | 170.2 | -165.8 | 0 | 0 | 111.4 | G195 L201 K202 A203 | G195-E199 WeakPolarHBondContact O-CB 3.47Å; G195-E199 VanDerWaalsContact O-CG 3.24Å; G195-E199 WeakPolarHBondContact O-CG 3.47Å; G195-E199 PolarHBondContact O-N 3.42Å; E199-L201 PolarHBondContact O-N 2.91Å; E199-K202 PolarHBondContact O-N 3.45Å; E199-A203 WeakPolarHBondContact O-CB 3.45Å; E199-A203 PolarHBondContact O-N 3.02Å |
| 200 | V | 84 | Confident | 77 | Confident | 70 Ų | 70 | 76.8 Ų | 76.8 | 42% | 0.424 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 172.9 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | S196 K202 A203 L204 | S196-V200 WeakPolarHBondContact O-CB 3.19Å; S196-V200 WeakPolarHBondContact O-CG2 3.32Å; S196-V200 PolarHBondContact O-N 3.42Å; V200-K202 VanDerWaalsContact C-N 3.32Å; V200-K202 PolarHBondContact O-N 3.37Å; V200-A203 PolarHBondContact O-N 2.76Å; V200-L204 HydrophobicContact CG1-CD1 4Å; V200-L204 HydrophobicContact CG1-CG 4.36Å; V200-L204 WeakPolarHBondContact O-CB 3.49Å; V200-L204 WeakPolarHBondContact O-CG 3.42Å; V200-L204 PolarHBondContact O-N 3.25Å |
| 201 | L | 87.8 | Confident | 79.6 | Confident | 15 Ų | 15 | 73.3 Ų | 73.3 | 8% | 0.079 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 177 | -174.2 | 65.4 | 0 | 0 | 0 | 112.1 | V126 H129 E130 L133 E197 V198 E199 L204 K205 | V126-L201 HydrophobicContact CG1-CD1 4.04Å; H129-L201 HydrophobicContact CB-CD1 3.75Å; E130-L201 HydrophobicContact CB-CD1 4.39Å; E130-L201 HydrophobicContact CB-CD2 4.26Å; E130-L201 HydrophobicContact CG-CD2 4.48Å; L133-L201 HydrophobicContact CD2-CD2 4.28Å; E197-L201 PolarHBondContact O-N 2.92Å; V198-L201 PolarHBondContact O-N 3.18Å; E199-L201 PolarHBondContact O-N 2.91Å; L201-L204 PolarHBondContact O-N 3.01Å; L201-K205 HydrophobicContact CG-CD 4.45Å; L201-K205 WeakPolarHBondContact O-CB 3.45Å; L201-K205 WeakPolarHBondContact O-CG 3.49Å; L201-K205 PolarHBondContact O-N 3.33Å |
| 202 | K | 89.2 | Confident | 82.1 | Confident | 163 Ų | 163 | 71.2 Ų | 71.2 | 71% | 0.709 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.8 | -42.2 | 175.9 | -170.5 | 178.2 | 178.9 | -177 | 0 | 111.4 | V198 E199 V200 K205 S206 | V198-K202 WeakPolarHBondContact O-CB 3.43Å; V198-K202 PolarHBondContact O-N 3.32Å; E199-K202 PolarHBondContact O-N 3.45Å; V200-K202 VanDerWaalsContact C-N 3.32Å; V200-K202 PolarHBondContact O-N 3.37Å; K202-K205 PolarHBondContact O-N 3.35Å; K202-S206 WeakPolarHBondContact O-CB 3.45Å; K202-S206 PolarHBondContact O-N 3.32Å |
| 203 | A | 89.7 | Confident | 84.1 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 50% | 0.504 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E199 V200 S206 L207 | E199-A203 WeakPolarHBondContact O-CB 3.45Å; E199-A203 PolarHBondContact O-N 3.02Å; V200-A203 PolarHBondContact O-N 2.76Å; A203-S206 PolarHBondContact O-N 3.41Å; A203-L207 WeakPolarHBondContact O-CB 3.37Å; A203-L207 PolarHBondContact O-N 2.8Å |
| 204 | L | 92.4 | Very high | 85.7 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 14% | 0.136 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 176.5 | -72.5 | 174 | 0 | 0 | 0 | 112.3 | L125 V126 H129 V200 L201 L207 F208 | L125-L204 HydrophobicContact CD2-CD1 4.31Å; L125-L204 HydrophobicContact CD2-CD2 3.75Å; L125-L204 HydrophobicContact CG-CD1 4.15Å; L125-L204 HydrophobicContact CG-CD2 4.41Å; V126-L204 HydrophobicContact CG2-CB 3.82Å; H129-L204 HydrophobicContact CB-CD1 4.42Å; V200-L204 HydrophobicContact CG1-CD1 4Å; V200-L204 HydrophobicContact CG1-CG 4.36Å; V200-L204 WeakPolarHBondContact O-CB 3.49Å; V200-L204 WeakPolarHBondContact O-CG 3.42Å; V200-L204 PolarHBondContact O-N 3.25Å; L201-L204 PolarHBondContact O-N 3.01Å; L204-L207 PolarHBondContact O-N 3.06Å; L204-F208 WeakPolarHBondContact O-CB 3.32Å; L204-F208 PolarHBondContact O-N 3.38Å |
| 205 | K | 92.9 | Very high | 87.6 | Confident | 93 Ų | 93 | 70.7 Ų | 70.7 | 40% | 0.404 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 174.8 | -75 | -175.9 | 178.3 | -170.1 | 0 | 111.8 | V126 E130 L201 K202 F208 E209 | V126-K205 HydrophobicContact CG1-CD 4.33Å; V126-K205 HydrophobicContact CG1-CG 3.73Å; V126-K205 HydrophobicContact CG2-CG 4.28Å; E130-K205 IonicContact OE2-NZ 3Å; E130-K205 PolarHBondContact OE2-NZ 2.98Å; L201-K205 HydrophobicContact CG-CD 4.45Å; L201-K205 WeakPolarHBondContact O-CB 3.45Å; L201-K205 WeakPolarHBondContact O-CG 3.49Å; L201-K205 PolarHBondContact O-N 3.33Å; K202-K205 PolarHBondContact O-N 3.35Å; K205-F208 PolarHBondContact O-N 3.48Å; K205-E209 PolarHBondContact O-N 3.24Å |
| 206 | S | 90.7 | Very high | 89.1 | Confident | 81 Ų | 81 | 74.9 Ų | 74.9 | 57% | 0.566 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 174.8 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | K202 A203 E209 H210 | K202-S206 WeakPolarHBondContact O-CB 3.45Å; K202-S206 PolarHBondContact O-N 3.32Å; A203-S206 PolarHBondContact O-N 3.41Å; S206-E209 PolarHBondContact O-N 2.79Å; S206-H210 PolarHBondContact O-N 2.77Å |
| 207 | L | 91.3 | Very high | 89.8 | Confident | 76 Ų | 76 | 77.4 Ų | 77.4 | 40% | 0.398 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 177.1 | -179.3 | 62.2 | 0 | 0 | 0 | 111.4 | L122 A203 L204 H210 H211 | L122-L207 HydrophobicContact CD1-CD2 4.48Å; L122-L207 HydrophobicContact CD1-CG 4.16Å; L122-L207 HydrophobicContact CD2-CD2 3.88Å; L122-L207 HydrophobicContact CD2-CG 4.34Å; A203-L207 WeakPolarHBondContact O-CB 3.37Å; A203-L207 PolarHBondContact O-N 2.8Å; L204-L207 PolarHBondContact O-N 3.06Å; L207-H210 PolarHBondContact O-N 3.44Å; L207-H211 PolarHBondContact O-CD2 3.26Å; L207-H211 PolarHBondContact O-N 3.35Å |
| 208 | F | 94.5 | Very high | 90.8 | Very high | 47 Ų | 47 | 75.6 Ų | 75.6 | 21% | 0.206 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.8 | -48.3 | 173.2 | 177.6 | -96.8 | 0 | 0 | 0 | 111.5 | L119 L122 E123 L204 K205 H210 H211 K212 | L119-F208 HydrophobicContact CB-CE2 4.29Å; L119-F208 HydrophobicContact CD2-CD2 3.76Å; L119-F208 HydrophobicContact CD2-CE2 3.71Å; L119-F208 HydrophobicContact CD2-CG 4.44Å; L119-F208 HydrophobicContact CD2-CZ 4.35Å; L119-F208 WeakPolarHBondContact CD2-O 3.44Å; L119-F208 WeakPolarHBondContact O-CE2 3.43Å; L122-F208 HydrophobicContact CB-CB 4.39Å; L122-F208 HydrophobicContact CB-CD2 3.82Å; E123-F208 HydrophobicContact CB-CD2 4.42Å; E123-F208 HydrophobicContact CB-CE2 3.8Å; E123-F208 HydrophobicContact CB-CZ 4.42Å; L204-F208 WeakPolarHBondContact O-CB 3.32Å; L204-F208 PolarHBondContact O-N 3.38Å; K205-F208 PolarHBondContact O-N 3.48Å; F208-H210 VanDerWaalsContact C-N 3.34Å; F208-H210 PolarHBondContact O-N 3.5Å; F208-H211 PolarHBondContact O-N 3.45Å; F208-K212 HydrophobicContact CE1-CD 4.45Å; F208-K212 WeakPolarHBondContact O-CB 3.26Å; F208-K212 PolarHBondContact O-N 2.87Å |
| 209 | E | 92.3 | Very high | 91.3 | Very high | 92 Ų | 92 | 75.7 Ų | 75.7 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 179.2 | -160.7 | 63.3 | -152.2 | 0 | 0 | 112.2 | K205 S206 K212 V213 | K205-E209 PolarHBondContact O-N 3.24Å; S206-E209 PolarHBondContact O-N 2.79Å; E209-K212 WeakPolarHBondContact O-CB 3.35Å; E209-K212 PolarHBondContact O-N 2.98Å; E209-K212 IonicContact OE1-NZ 3.57Å; E209-K212 PolarHBondContact OE1-NZ 2.93Å; E209-K212 IonicContact OE2-NZ 3.63Å; E209-V213 WeakPolarHBondContact O-CG2 3.42Å; E209-V213 PolarHBondContact O-N 2.86Å |
| 210 | H | 90.6 | Very high | 91.7 | Very high | 113 Ų | 113 | 72.2 Ų | 72.2 | 52% | 0.523 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 175.4 | -178 | -103.1 | 0 | 0 | 0 | 112.3 | S206 L207 F208 K212 V213 L214 | S206-H210 PolarHBondContact O-N 2.77Å; L207-H210 PolarHBondContact O-N 3.44Å; F208-H210 VanDerWaalsContact C-N 3.34Å; F208-H210 PolarHBondContact O-N 3.5Å; H210-K212 VanDerWaalsContact C-N 3.26Å; H210-K212 PolarHBondContact O-N 3.38Å; H210-V213 PolarHBondContact O-N 2.89Å; H210-L214 PolarHBondContact O-N 2.85Å |
| 211 | H | 93.8 | Very high | 92.1 | Very high | 35 Ų | 35 | 76.9 Ų | 76.9 | 16% | 0.162 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.8 | -28.8 | 176.3 | -82.9 | -68 | 0 | 0 | 0 | 112.9 | M115 L118 L119 L122 L207 F208 L214 D215 | M115-H211 HydrophobicContact SD-CB 3.86Å; M115-H211 PolarHBondContact SD-ND1 3.43Å; L118-H211 WeakPolarHBondContact CD2-CE1 3.47Å; L118-H211 WeakPolarHBondContact CD2-ND1 3.32Å; L119-H211 HydrophobicContact CD2-CB 3.71Å; L119-H211 HydrophobicContact CG-CB 4.23Å; L122-H211 HydrophobicContact CD1-CB 4.37Å; L207-H211 PolarHBondContact O-CD2 3.26Å; L207-H211 PolarHBondContact O-N 3.35Å; F208-H211 PolarHBondContact O-N 3.45Å; H211-L214 PolarHBondContact O-N 3.15Å; H211-D215 PolarHBondContact O-N 3.09Å |
| 212 | K | 94.3 | Very high | 92.5 | Very high | 101 Ų | 101 | 76.5 Ų | 76.5 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 175.6 | -174.9 | -178 | 167.7 | -156.3 | 0 | 111.5 | L119 F208 E209 H210 L214 D215 E216 | L119-K212 HydrophobicContact CD2-CB 4.14Å; F208-K212 HydrophobicContact CE1-CD 4.45Å; F208-K212 WeakPolarHBondContact O-CB 3.26Å; F208-K212 PolarHBondContact O-N 2.87Å; E209-K212 WeakPolarHBondContact O-CB 3.35Å; E209-K212 PolarHBondContact O-N 2.98Å; E209-K212 IonicContact OE1-NZ 3.57Å; E209-K212 PolarHBondContact OE1-NZ 2.93Å; E209-K212 IonicContact OE2-NZ 3.63Å; H210-K212 VanDerWaalsContact C-N 3.26Å; H210-K212 PolarHBondContact O-N 3.38Å; K212-L214 VanDerWaalsContact C-N 3.34Å; K212-D215 PolarHBondContact O-N 2.77Å; K212-E216 PolarHBondContact O-N 3.38Å; K212-E216 VanDerWaalsContact O-N 3.13Å |
| 213 | V | 92.3 | Very high | 92.6 | Very high | 64 Ų | 64 | 74.9 Ų | 74.9 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66 | -37 | 172.6 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | E209 H210 E216 K217 | E209-V213 WeakPolarHBondContact O-CG2 3.42Å; E209-V213 PolarHBondContact O-N 2.86Å; H210-V213 PolarHBondContact O-N 2.89Å; V213-E216 PolarHBondContact O-N 3.48Å; V213-K217 WeakPolarHBondContact O-CG 3.4Å; V213-K217 PolarHBondContact O-N 3.28Å; V213-K217 VanDerWaalsContact O-N 3.09Å |
| 214 | L | 90 | Very high | 92.8 | Very high | 53 Ų | 53 | 76.2 Ų | 76.2 | 28% | 0.277 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 174.1 | -74.3 | 172.9 | 0 | 0 | 0 | 112.1 | M115 H210 H211 K212 E216 K217 V218 | M115-L214 HydrophobicContact CE-CB 3.79Å; M115-L214 HydrophobicContact CE-CD1 4.26Å; M115-L214 HydrophobicContact SD-CB 4.25Å; H210-L214 PolarHBondContact O-N 2.85Å; H211-L214 PolarHBondContact O-N 3.15Å; K212-L214 VanDerWaalsContact C-N 3.34Å; L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.91Å; L214-K217 PolarHBondContact O-N 3.27Å; L214-K217 VanDerWaalsContact O-N 3.15Å; L214-V218 WeakPolarHBondContact O-CG2 3.37Å; L214-V218 PolarHBondContact O-N 3.16Å |
| 215 | D | 94.5 | Very high | 92.7 | Very high | 31 Ų | 31 | 75.3 Ų | 75.3 | 17% | 0.166 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.5 | -42.9 | 174.7 | -171.4 | 63.8 | 0 | 0 | 0 | 111.4 | R112 M115 L119 H211 K212 K217 V218 H219 | R112-D215 WeakPolarHBondContact CG-OD1 3.34Å; M115-D215 HydrophobicContact CB-CB 4.49Å; M115-D215 HydrophobicContact CG-CB 3.62Å; L119-D215 HydrophobicContact CD1-CB 3.85Å; H211-D215 PolarHBondContact O-N 3.09Å; K212-D215 PolarHBondContact O-N 2.77Å; D215-K217 VanDerWaalsContact C-N 3.35Å; D215-K217 PolarHBondContact O-N 3.44Å; D215-V218 PolarHBondContact O-N 3.27Å; D215-H219 VanDerWaalsContact O-CB 3.29Å; D215-H219 WeakPolarHBondContact O-CB 3.37Å; D215-H219 PolarHBondContact O-N 2.88Å |
| 216 | E | 93 | Very high | 92.7 | Very high | 119 Ų | 119 | 73.2 Ų | 73.2 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.1 | -37.5 | 176.8 | -167.6 | 176.8 | 178.6 | 0 | 0 | 112.6 | K212 V213 L214 H219 N220 | K212-E216 PolarHBondContact O-N 3.38Å; K212-E216 VanDerWaalsContact O-N 3.13Å; V213-E216 PolarHBondContact O-N 3.48Å; L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.91Å; E216-H219 PolarHBondContact O-N 3.33Å; E216-N220 WeakPolarHBondContact O-CB 3.42Å; E216-N220 PolarHBondContact O-N 3.4Å; E216-N220 PolarHBondContact O-ND2 3.13Å |
| 217 | K | 92.4 | Very high | 92.8 | Very high | 130 Ų | 130 | 73 Ų | 73 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.8 | -44.5 | 174.5 | -74.2 | 179.1 | 179.2 | -179.2 | 0 | 112.5 | V213 L214 D215 H219 N220 R221 | V213-K217 WeakPolarHBondContact O-CG 3.4Å; V213-K217 PolarHBondContact O-N 3.28Å; V213-K217 VanDerWaalsContact O-N 3.09Å; L214-K217 PolarHBondContact O-N 3.27Å; L214-K217 VanDerWaalsContact O-N 3.15Å; D215-K217 VanDerWaalsContact C-N 3.35Å; D215-K217 PolarHBondContact O-N 3.44Å; K217-H219 VanDerWaalsContact C-N 3.3Å; K217-N220 PolarHBondContact O-N 3.03Å; K217-R221 PolarHBondContact O-N 3.39Å |
| 218 | V | 94.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 73.7 Ų | 73.7 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 175.4 | 175.4 | 0 | 0 | 0 | 0 | 109.9 | L108 E111 R112 L214 D215 N220 R221 L222 | L108-V218 HydrophobicContact CD2-CG1 4.4Å; E111-V218 HydrophobicContact CB-CG1 4.25Å; E111-V218 HydrophobicContact CG-CG1 4.29Å; E111-V218 HydrophobicContact CG-CG2 4.2Å; R112-V218 HydrophobicContact CB-CG1 3.97Å; L214-V218 WeakPolarHBondContact O-CG2 3.37Å; L214-V218 PolarHBondContact O-N 3.16Å; D215-V218 PolarHBondContact O-N 3.27Å; V218-N220 PolarHBondContact O-N 3.33Å; V218-R221 PolarHBondContact O-N 3.06Å; V218-L222 WeakPolarHBondContact O-CB 3.44Å; V218-L222 PolarHBondContact O-N 3.38Å |
| 219 | H | 92.4 | Very high | 92.6 | Very high | 73 Ų | 73 | 72 Ų | 72 | 34% | 0.338 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 175 | -177.2 | 59.7 | 0 | 0 | 0 | 112.5 | D215 E216 K217 L222 R223 | D215-H219 VanDerWaalsContact O-CB 3.29Å; D215-H219 WeakPolarHBondContact O-CB 3.37Å; D215-H219 PolarHBondContact O-N 2.88Å; E216-H219 PolarHBondContact O-N 3.33Å; K217-H219 VanDerWaalsContact C-N 3.3Å; H219-L222 PolarHBondContact O-N 3.3Å; H219-R223 PolarHBondContact O-N 3.06Å |
| 220 | N | 93.1 | Very high | 92.4 | Very high | 65 Ų | 65 | 70.6 Ų | 70.6 | 35% | 0.348 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 176.4 | -82.4 | -39.1 | 0 | 0 | 0 | 112.6 | E216 K217 V218 R223 V224 | E216-N220 WeakPolarHBondContact O-CB 3.42Å; E216-N220 PolarHBondContact O-N 3.4Å; E216-N220 PolarHBondContact O-ND2 3.13Å; K217-N220 PolarHBondContact O-N 3.03Å; V218-N220 PolarHBondContact O-N 3.33Å; N220-R223 PolarHBondContact O-N 3.42Å; N220-V224 WeakPolarHBondContact O-CG2 3.3Å; N220-V224 PolarHBondContact O-N 2.93Å |
| 221 | R | 93.2 | Very high | 92.4 | Very high | 168 Ų | 168 | 69.4 Ų | 69.4 | 63% | 0.634 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.1 | -49.4 | 172.5 | -82.6 | -178 | 148.2 | -169.8 | -8 | 111.6 | L108 K217 V218 R223 V224 S225 | L108-R221 HydrophobicContact CD1-CB 4.18Å; L108-R221 HydrophobicContact CD2-CB 4.09Å; K217-R221 PolarHBondContact O-N 3.39Å; V218-R221 PolarHBondContact O-N 3.06Å; R221-R223 PolarHBondContact O-N 3.38Å; R221-V224 PolarHBondContact O-N 2.87Å; R221-S225 PolarHBondContact O-N 2.9Å; R221-S225 PolarHBondContact O-OG 3.19Å |
| 222 | L | 94.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.3 | -40.2 | 177.2 | 178.7 | 61.3 | 0 | 0 | 0 | 111.9 | I105 L108 K109 V218 H219 Q226 | I105-L222 HydrophobicContact CB-CD1 4.32Å; I105-L222 HydrophobicContact CG1-CD1 4.32Å; I105-L222 HydrophobicContact CG2-CD1 3.91Å; L108-L222 HydrophobicContact CB-CB 4.2Å; L108-L222 HydrophobicContact CB-CD1 3.94Å; K109-L222 HydrophobicContact CG-CD1 4.02Å; K109-L222 HydrophobicContact CG-CD2 4.09Å; V218-L222 WeakPolarHBondContact O-CB 3.44Å; V218-L222 PolarHBondContact O-N 3.38Å; H219-L222 PolarHBondContact O-N 3.3Å; L222-Q226 HydrophobicContact CD1-CG 4.35Å; L222-Q226 WeakPolarHBondContact O-CB 3.4Å; L222-Q226 VanDerWaalsContact O-CG 3.23Å; L222-Q226 WeakPolarHBondContact O-CG 3.42Å; L222-Q226 PolarHBondContact O-N 2.97Å |
| 223 | R | 92.7 | Very high | 91.9 | Very high | 128 Ų | 128 | 67.6 Ų | 67.6 | 48% | 0.483 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 176 | -171.5 | 178.9 | 70.7 | 97.2 | 0.6 | 112.2 | H219 N220 R221 N227 | H219-R223 PolarHBondContact O-N 3.06Å; N220-R223 PolarHBondContact O-N 3.42Å; R221-R223 PolarHBondContact O-N 3.38Å; R223-N227 VanDerWaalsContact O-CG 3.27Å; R223-N227 PolarHBondContact O-N 3.41Å; R223-N227 PolarHBondContact O-ND2 2.86Å |
| 224 | V | 92.8 | Very high | 91.7 | Very high | 89 Ų | 89 | 69.4 Ų | 69.4 | 54% | 0.539 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 177.3 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | N220 R221 Q226 N227 K228 | N220-V224 WeakPolarHBondContact O-CG2 3.3Å; N220-V224 PolarHBondContact O-N 2.93Å; R221-V224 PolarHBondContact O-N 2.87Å; V224-Q226 PolarHBondContact O-N 3.29Å; V224-N227 PolarHBondContact O-N 3.46Å; V224-K228 PolarHBondContact O-N 2.98Å |
| 225 | S | 91.8 | Very high | 91.7 | Very high | 8 Ų | 8 | 71.4 Ų | 71.4 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 179.3 | -47.5 | 0 | 0 | 0 | 0 | 111.5 | E104 R221 K228 V229 | E104-S225 PolarHBondContact OE1-OG 3.37Å; R221-S225 PolarHBondContact O-N 2.9Å; R221-S225 PolarHBondContact O-OG 3.19Å; S225-K228 PolarHBondContact O-N 3.04Å; S225-V229 PolarHBondContact O-N 2.99Å |
| 226 | Q | 93.2 | Very high | 91.3 | Very high | 48 Ų | 48 | 70.9 Ų | 70.9 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 172 | -79.3 | 174.1 | -5.9 | 0 | 0 | 112.8 | I105 L222 V224 K228 V229 T230 | I105-Q226 HydrophobicContact CD1-CB 4.4Å; I105-Q226 HydrophobicContact CD1-CG 3.82Å; I105-Q226 HydrophobicContact CG1-CG 4.21Å; L222-Q226 HydrophobicContact CD1-CG 4.35Å; L222-Q226 WeakPolarHBondContact O-CB 3.4Å; L222-Q226 VanDerWaalsContact O-CG 3.23Å; L222-Q226 WeakPolarHBondContact O-CG 3.42Å; L222-Q226 PolarHBondContact O-N 2.97Å; V224-Q226 PolarHBondContact O-N 3.29Å; Q226-K228 VanDerWaalsContact C-N 3.33Å; Q226-K228 PolarHBondContact O-N 3.38Å; Q226-V229 PolarHBondContact O-N 3.45Å; Q226-T230 PolarHBondContact O-N 2.84Å; Q226-T230 VanDerWaalsContact O-N 3.12Å |
| 227 | N | 91.7 | Very high | 90.8 | Very high | 77 Ų | 77 | 71.6 Ų | 71.6 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 176 | -70.4 | -14.7 | 0 | 0 | 0 | 111.4 | R223 V224 V229 T230 D231 | R223-N227 VanDerWaalsContact O-CG 3.27Å; R223-N227 PolarHBondContact O-N 3.41Å; R223-N227 PolarHBondContact O-ND2 2.86Å; V224-N227 PolarHBondContact O-N 3.46Å; N227-V229 VanDerWaalsContact C-N 3.34Å; N227-V229 PolarHBondContact O-N 2.82Å; N227-T230 WeakPolarHBondContact CA-OG1 3.4Å; N227-T230 PolarHBondContact O-N 3.3Å; N227-T230 VanDerWaalsContact O-N 3.13Å; N227-T230 PolarHBondContact O-OG1 3.33Å; N227-D231 PolarHBondContact O-N 3.28Å |
| 228 | K | 90.6 | Very high | 90.4 | Very high | 90 Ų | 90 | 70.1 Ų | 70.1 | 39% | 0.391 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 177.9 | -174.5 | 57.4 | 178.6 | 168.6 | 0 | 112.4 | R101 V224 S225 Q226 D231 L232 | R101-K228 HydrophobicContact CG-CG 4.45Å; V224-K228 PolarHBondContact O-N 2.98Å; S225-K228 PolarHBondContact O-N 3.04Å; Q226-K228 VanDerWaalsContact C-N 3.33Å; Q226-K228 PolarHBondContact O-N 3.38Å; K228-D231 PolarHBondContact O-N 2.91Å; K228-L232 HydrophobicContact CG-CD1 4.39Å; K228-L232 WeakPolarHBondContact O-CG 3.47Å; K228-L232 PolarHBondContact O-N 3.45Å |
| 229 | V | 91.6 | Very high | 89.7 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 170.7 | 162.8 | 0 | 0 | 0 | 0 | 110.5 | L98 R101 I105 S225 Q226 N227 D231 L232 E233 | L98-V229 HydrophobicContact CD1-CB 4.32Å; L98-V229 HydrophobicContact CD1-CG1 3.79Å; L98-V229 HydrophobicContact CD1-CG2 4.35Å; R101-V229 HydrophobicContact CB-CG2 3.53Å; I105-V229 HydrophobicContact CD1-CB 4.14Å; I105-V229 HydrophobicContact CD1-CG2 3.5Å; S225-V229 PolarHBondContact O-N 2.99Å; Q226-V229 PolarHBondContact O-N 3.45Å; N227-V229 VanDerWaalsContact C-N 3.34Å; N227-V229 PolarHBondContact O-N 2.82Å; V229-D231 VanDerWaalsContact C-N 3.27Å; V229-D231 PolarHBondContact O-N 3.27Å; V229-L232 PolarHBondContact O-N 2.67Å; V229-E233 HydrophobicContact CG1-CG 4.31Å; V229-E233 WeakPolarHBondContact O-CG 3.24Å; V229-E233 PolarHBondContact O-N 3.29Å |
| 230 | T | 88.5 | Confident | 89.2 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.4 | -34.2 | 177.7 | 59 | 0 | 0 | 0 | 0 | 113 | Q226 N227 N234 | Q226-T230 PolarHBondContact O-N 2.84Å; Q226-T230 VanDerWaalsContact O-N 3.12Å; N227-T230 WeakPolarHBondContact CA-OG1 3.4Å; N227-T230 PolarHBondContact O-N 3.3Å; N227-T230 VanDerWaalsContact O-N 3.13Å; N227-T230 PolarHBondContact O-OG1 3.33Å; T230-N234 VanDerWaalsContact O-CG 3.22Å; T230-N234 PolarHBondContact O-N 3.13Å; T230-N234 VanDerWaalsContact O-N 3.15Å; T230-N234 PolarHBondContact O-ND2 2.78Å |
| 231 | D | 90.6 | Very high | 88.5 | Confident | 89 Ų | 89 | 75 Ų | 75 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 174.7 | -65.6 | -25.9 | 0 | 0 | 0 | 111.6 | N227 K228 V229 N234 E235 | N227-D231 PolarHBondContact O-N 3.28Å; K228-D231 PolarHBondContact O-N 2.91Å; V229-D231 VanDerWaalsContact C-N 3.27Å; V229-D231 PolarHBondContact O-N 3.27Å; D231-N234 PolarHBondContact O-N 2.76Å; D231-E235 PolarHBondContact O-N 3.28Å |
| 232 | L | 89.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.5 | -36.3 | 177.4 | -70.8 | 172.6 | 0 | 0 | 0 | 112.2 | V94 Q97 L98 R101 K228 V229 N234 E235 L236 | V94-L232 HydrophobicContact CG1-CD2 4.34Å; Q97-L232 HydrophobicContact CB-CD1 4.01Å; Q97-L232 HydrophobicContact CB-CD2 4.4Å; L98-L232 HydrophobicContact CD1-CB 3.99Å; R101-L232 HydrophobicContact CG-CD1 3.87Å; K228-L232 HydrophobicContact CG-CD1 4.39Å; K228-L232 WeakPolarHBondContact O-CG 3.47Å; K228-L232 PolarHBondContact O-N 3.45Å; V229-L232 PolarHBondContact O-N 2.67Å; L232-N234 VanDerWaalsContact C-N 3.34Å; L232-E235 PolarHBondContact O-N 2.86Å; L232-L236 VanDerWaalsContact O-CB 3.26Å; L232-L236 WeakPolarHBondContact O-CB 3.37Å; L232-L236 PolarHBondContact O-N 3.46Å |
| 233 | E | 87.9 | Confident | 86.5 | Confident | 98 Ų | 98 | 72 Ų | 72 | 46% | 0.458 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 173.5 | -73.5 | 178.2 | 151.9 | 0 | 0 | 111.7 | L98 V229 L236 F237 | L98-E233 HydrophobicContact CD1-CG 3.79Å; L98-E233 HydrophobicContact CD2-CG 4.22Å; V229-E233 HydrophobicContact CG1-CG 4.31Å; V229-E233 WeakPolarHBondContact O-CG 3.24Å; V229-E233 PolarHBondContact O-N 3.29Å; E233-L236 PolarHBondContact O-N 2.82Å; E233-F237 WeakPolarHBondContact O-CB 3.32Å; E233-F237 PolarHBondContact O-N 3.25Å |
| 234 | N | 87.6 | Confident | 85.3 | Confident | 102 Ų | 102 | 71 Ų | 71 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 175.1 | -69.5 | -38.1 | 0 | 0 | 0 | 111.5 | T230 D231 L232 F237 E238 | T230-N234 VanDerWaalsContact O-CG 3.22Å; T230-N234 PolarHBondContact O-N 3.13Å; T230-N234 VanDerWaalsContact O-N 3.15Å; T230-N234 PolarHBondContact O-ND2 2.78Å; D231-N234 PolarHBondContact O-N 2.76Å; L232-N234 VanDerWaalsContact C-N 3.34Å; N234-F237 WeakPolarHBondContact O-CB 3.49Å; N234-F237 PolarHBondContact O-N 3.08Å; N234-E238 PolarHBondContact O-N 3.03Å |
| 235 | E | 89.5 | Confident | 83.9 | Confident | 94 Ų | 94 | 71.2 Ų | 71.2 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 174.9 | -174.5 | 173.6 | 178.4 | 0 | 0 | 111.5 | V94 D231 L232 F237 E238 L239 | V94-E235 HydrophobicContact CG2-CG 4.28Å; D231-E235 PolarHBondContact O-N 3.28Å; L232-E235 PolarHBondContact O-N 2.86Å; E235-F237 VanDerWaalsContact C-N 3.29Å; E235-F237 PolarHBondContact O-N 3.29Å; E235-E238 PolarHBondContact O-N 3.04Å; E235-L239 HydrophobicContact CG-CD1 4.27Å; E235-L239 WeakPolarHBondContact O-CB 3.48Å; E235-L239 WeakPolarHBondContact O-CG 3.41Å; E235-L239 PolarHBondContact O-N 3.49Å |
| 236 | L | 86 | Confident | 82.2 | Confident | 20 Ų | 20 | 72.5 Ų | 72.5 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 174.7 | -170.4 | 76.2 | 0 | 0 | 0 | 111.4 | L91 V94 E95 L98 L232 E233 L239 K240 | L91-L236 HydrophobicContact CD1-CD1 3.49Å; L91-L236 VanDerWaalsContact CD1-CD1 3.49Å; L91-L236 HydrophobicContact CD1-CG 4.3Å; L91-L236 HydrophobicContact CG-CD1 4.25Å; V94-L236 HydrophobicContact CB-CD1 4.28Å; V94-L236 HydrophobicContact CG1-CB 3.94Å; V94-L236 HydrophobicContact CG1-CD1 3.95Å; E95-L236 HydrophobicContact CG-CD1 3.4Å; E95-L236 VanDerWaalsContact CG-CD1 3.4Å; E95-L236 HydrophobicContact CG-CD2 4.28Å; E95-L236 HydrophobicContact CG-CG 4.49Å; L98-L236 HydrophobicContact CD2-CD2 4.34Å; L232-L236 VanDerWaalsContact O-CB 3.26Å; L232-L236 WeakPolarHBondContact O-CB 3.37Å; L232-L236 PolarHBondContact O-N 3.46Å; E233-L236 PolarHBondContact O-N 2.82Å; L236-L239 PolarHBondContact O-N 3.2Å; L236-K240 HydrophobicContact CG-CD 4.32Å; L236-K240 WeakPolarHBondContact O-CB 3.29Å; L236-K240 WeakPolarHBondContact O-CG 3.41Å; L236-K240 PolarHBondContact O-N 2.94Å |
| 237 | F | 83.5 | Confident | 80.2 | Confident | 135 Ų | 135 | 73.8 Ų | 73.8 | 59% | 0.592 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63 | -45.5 | 177.4 | -176.1 | -96.5 | 0 | 0 | 0 | 111.7 | E233 N234 E235 K240 R241 | E233-F237 WeakPolarHBondContact O-CB 3.32Å; E233-F237 PolarHBondContact O-N 3.25Å; N234-F237 WeakPolarHBondContact O-CB 3.49Å; N234-F237 PolarHBondContact O-N 3.08Å; E235-F237 VanDerWaalsContact C-N 3.29Å; E235-F237 PolarHBondContact O-N 3.29Å; F237-K240 PolarHBondContact O-N 3.37Å; F237-R241 WeakPolarHBondContact O-CB 3.45Å; F237-R241 PolarHBondContact O-N 3.35Å |
| 238 | E | 83.8 | Confident | 77.9 | Confident | 98 Ų | 98 | 73.7 Ų | 73.7 | 46% | 0.458 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.7 | -36.5 | 176.6 | -70.3 | -59 | 149.3 | 0 | 0 | 112.6 | N234 E235 R241 S242 | N234-E238 PolarHBondContact O-N 3.03Å; E235-E238 PolarHBondContact O-N 3.04Å; E238-R241 PolarHBondContact O-N 2.94Å; E238-R241 IonicContact OE1-NH1 3.61Å; E238-R241 IonicContact OE2-NH1 3.39Å; E238-S242 WeakPolarHBondContact O-CB 3.43Å; E238-S242 PolarHBondContact O-N 3.03Å; E238-S242 PolarHBondContact O-OG 3.31Å |
| 239 | L | 80.4 | Confident | 75.6 | Confident | 24 Ų | 24 | 74.7 Ų | 74.7 | 13% | 0.126 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 172.6 | -75.6 | 172.7 | 0 | 0 | 0 | 112.3 | M87 K90 L91 V94 E235 L236 S242 K243 | M87-L239 HydrophobicContact CE-CD2 3.57Å; M87-L239 HydrophobicContact SD-CD2 4.35Å; K90-L239 HydrophobicContact CB-CD1 4.39Å; K90-L239 HydrophobicContact CB-CD2 4.41Å; L91-L239 HydrophobicContact CD1-CB 4Å; V94-L239 HydrophobicContact CB-CD1 4.28Å; V94-L239 HydrophobicContact CG2-CD1 3.71Å; E235-L239 HydrophobicContact CG-CD1 4.27Å; E235-L239 WeakPolarHBondContact O-CB 3.48Å; E235-L239 WeakPolarHBondContact O-CG 3.41Å; E235-L239 PolarHBondContact O-N 3.49Å; L236-L239 PolarHBondContact O-N 3.2Å; L239-S242 VanDerWaalsContact CA-OG 3.29Å; L239-S242 WeakPolarHBondContact CA-OG 3.48Å; L239-S242 PolarHBondContact O-OG 2.97Å; L239-K243 WeakPolarHBondContact O-CB 3.43Å; L239-K243 PolarHBondContact O-N 3.01Å |
| 240 | K | 81.2 | Confident | 73.3 | Confident | 89 Ų | 89 | 78 Ų | 78 | 39% | 0.387 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 174.8 | -75.1 | -178.9 | -178.3 | 177.6 | 0 | 111.2 | L91 E95 L236 F237 K243 I244 | L91-K240 HydrophobicContact CD1-CD 4.38Å; L91-K240 HydrophobicContact CD1-CG 3.59Å; L91-K240 HydrophobicContact CD2-CG 4.45Å; E95-K240 WeakPolarHBondContact OE1-CE 3.27Å; E95-K240 IonicContact OE1-NZ 2.64Å; E95-K240 PolarHBondContact OE1-NZ 2.9Å; L236-K240 HydrophobicContact CG-CD 4.32Å; L236-K240 WeakPolarHBondContact O-CB 3.29Å; L236-K240 WeakPolarHBondContact O-CG 3.41Å; L236-K240 PolarHBondContact O-N 2.94Å; F237-K240 PolarHBondContact O-N 3.37Å; K240-K243 PolarHBondContact O-N 3.45Å; K240-I244 WeakPolarHBondContact O-CG1 3.32Å; K240-I244 PolarHBondContact O-N 3.29Å |
| 241 | R | 78.3 | Confident | 70.7 | Confident | 136 Ų | 136 | 82.2 Ų | 82.2 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 177.5 | -174.1 | -179.6 | 177.6 | -150.5 | 0.5 | 112.2 | F237 E238 I244 N245 | F237-R241 WeakPolarHBondContact O-CB 3.45Å; F237-R241 PolarHBondContact O-N 3.35Å; E238-R241 PolarHBondContact O-N 2.94Å; E238-R241 IonicContact OE1-NH1 3.61Å; E238-R241 IonicContact OE2-NH1 3.39Å; R241-I244 PolarHBondContact O-N 2.93Å; R241-N245 PolarHBondContact O-N 2.9Å |
| 242 | S | 75.5 | Confident | 68 | Low | 44 Ų | 44 | 85 Ų | 85 | 31% | 0.308 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 176.9 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | M87 E238 L239 I244 N245 S246 | M87-S242 WeakPolarHBondContact CE-OG 3.4Å; E238-S242 WeakPolarHBondContact O-CB 3.43Å; E238-S242 PolarHBondContact O-N 3.03Å; E238-S242 PolarHBondContact O-OG 3.31Å; L239-S242 VanDerWaalsContact CA-OG 3.29Å; L239-S242 WeakPolarHBondContact CA-OG 3.48Å; L239-S242 PolarHBondContact O-OG 2.97Å; S242-I244 VanDerWaalsContact C-N 3.3Å; S242-I244 PolarHBondContact O-N 3.42Å; S242-N245 PolarHBondContact O-N 3.3Å; S242-N245 VanDerWaalsContact O-N 3.11Å; S242-S246 PolarHBondContact O-N 3.48Å; S242-S246 PolarHBondContact O-OG 3.46Å |
| 243 | K | 70.5 | Confident | 65.1 | Low | 70 Ų | 70 | 90.4 Ų | 90.4 | 30% | 0.304 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.8 | -40.1 | 173.7 | -172.8 | 169.4 | 178.9 | 168 | 0 | 112.9 | S88 L239 K240 S246 S247 | S88-K243 PolarHBondContact OG-NZ 3.48Å; L239-K243 WeakPolarHBondContact O-CB 3.43Å; L239-K243 PolarHBondContact O-N 3.01Å; K240-K243 PolarHBondContact O-N 3.45Å; K243-S246 WeakPolarHBondContact CA-OG 3.5Å; K243-S246 PolarHBondContact O-OG 3.42Å; K243-S247 PolarHBondContact O-N 2.81Å |
| 244 | I | 66.8 | Low | 62.3 | Low | 106 Ų | 106 | 93.5 Ų | 93.5 | 54% | 0.544 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 176.2 | -65.3 | 166.1 | 0 | 0 | 0 | 111 | K240 R241 S242 S246 S247 S248 | K240-I244 WeakPolarHBondContact O-CG1 3.32Å; K240-I244 PolarHBondContact O-N 3.29Å; R241-I244 PolarHBondContact O-N 2.93Å; S242-I244 VanDerWaalsContact C-N 3.3Å; S242-I244 PolarHBondContact O-N 3.42Å; I244-S246 PolarHBondContact O-N 3.41Å; I244-S247 PolarHBondContact O-N 2.94Å; I244-S247 PolarHBondContact O-OG 2.98Å; I244-S248 PolarHBondContact O-N 3.45Å; I244-S248 PolarHBondContact O-OG 2.83Å |
| 245 | N | 62.4 | Low | 59.5 | Low | 93 Ų | 93 | 95.7 Ų | 95.7 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | -179.5 | -70.1 | -15.3 | 0 | 0 | 0 | 112.7 | R241 S242 S247 S248 T249 | R241-N245 PolarHBondContact O-N 2.9Å; S242-N245 PolarHBondContact O-N 3.3Å; S242-N245 VanDerWaalsContact O-N 3.11Å; N245-S247 VanDerWaalsContact C-N 3.32Å; N245-S247 PolarHBondContact O-N 3.36Å; N245-S248 PolarHBondContact O-N 3.5Å; N245-T249 PolarHBondContact O-N 3.32Å; N245-T249 PolarHBondContact O-OG1 3.17Å |
| 246 | S | 57.8 | Low | 56.7 | Low | 36 Ų | 36 | 98 Ų | 98 | 25% | 0.252 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.6 | -33.6 | 173.3 | 34.6 | 0 | 0 | 0 | 0 | 112.7 | S242 K243 I244 S248 T249 | S242-S246 PolarHBondContact O-N 3.48Å; S242-S246 PolarHBondContact O-OG 3.46Å; K243-S246 WeakPolarHBondContact CA-OG 3.5Å; K243-S246 PolarHBondContact O-OG 3.42Å; I244-S246 PolarHBondContact O-N 3.41Å; S246-S248 VanDerWaalsContact C-N 3.33Å; S246-S248 PolarHBondContact O-N 2.97Å; S246-T249 PolarHBondContact O-OG1 3.38Å |
| 247 | S | 49.5 | Very low | 54 | Low | 74 Ų | 74 | 103.7 Ų | 103.7 | 52% | 0.517 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.7 | -25.8 | 176.5 | 71.8 | 0 | 0 | 0 | 0 | 113.6 | K243 I244 N245 | K243-S247 PolarHBondContact O-N 2.81Å; I244-S247 PolarHBondContact O-N 2.94Å; I244-S247 PolarHBondContact O-OG 2.98Å; N245-S247 VanDerWaalsContact C-N 3.32Å; N245-S247 PolarHBondContact O-N 3.36Å |
| 248 | S | 45.2 | Very low | 51.3 | Low | 75 Ų | 75 | 103.6 Ų | 103.6 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -83.5 | -20.4 | -177.6 | -63.2 | 0 | 0 | 0 | 0 | 113.7 | I244 N245 S246 | I244-S248 PolarHBondContact O-N 3.45Å; I244-S248 PolarHBondContact O-OG 2.83Å; N245-S248 PolarHBondContact O-N 3.5Å; S246-S248 VanDerWaalsContact C-N 3.33Å; S246-S248 PolarHBondContact O-N 2.97Å |
| 249 | T | 41.4 | Very low | 48.6 | Very low | 112 Ų | 112 | 106.7 Ų | 106.7 | 69% | 0.687 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -81.4 | -13.2 | -179.2 | 34.3 | 0 | 0 | 0 | 0 | 113.8 | N245 S246 N251 | N245-T249 PolarHBondContact O-N 3.32Å; N245-T249 PolarHBondContact O-OG1 3.17Å; S246-T249 PolarHBondContact O-OG1 3.38Å; T249-N251 VanDerWaalsContact C-N 3.29Å; T249-N251 PolarHBondContact O-N 3.44Å |
| 250 | A | 42.2 | Very low | 46 | Very low | 82 Ų | 82 | 116.4 Ų | 116.4 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -77.1 | -6.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 251 | N | 35.6 | Very low | 43.4 | Very low | 149 Ų | 149 | 117.7 Ų | 117.7 | 80% | 0.797 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -106.4 | 14.4 | -174.4 | -82.6 | -14.2 | 0 | 0 | 0 | 115.7 | T249 | T249-N251 VanDerWaalsContact C-N 3.29Å; T249-N251 PolarHBondContact O-N 3.44Å |
| 252 | I | 32.3 | Very low | 40.9 | Very low | 148 Ų | 148 | 118.5 Ų | 118.5 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -123.7 | 80.6 | 172.2 | -53.6 | 176.4 | 0 | 0 | 0 | 109 | ||
| 253 | C | 28.9 | Very low | 38.7 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 173.2 | 93.6 | 149.8 | -100.2 | 0 | 0 | 0 | 0 | 110 | ||
| 254 | N | 30.7 | Very low | 36.5 | Very low | 163 Ų | 163 | 125 Ų | 125 | 87% | 0.872 | 69% | 0.687 | S | S | * | * | trans | 166.3 | 85.9 | 131.9 | -88.6 | -12.6 | 0 | 0 | 0 | 109.6 | ||||
| 255 | D | 27.3 | Very low | 34.8 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | trans | -64.2 | 149.6 | 152.4 | -94.6 | -40.5 | 0 | 0 | 0 | 110.1 | ||||
| 256 | N | 31.4 | Very low | 33 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | trans | 93.2 | 83.1 | 168.4 | -46.5 | -48 | 0 | 0 | 0 | 117.1 | ||||
| 257 | N | 29.3 | Very low | 31.7 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | 165 | 116.2 | 102.7 | -91.5 | -27 | 0 | 0 | 0 | 113.7 | |||||
| 258 | I | 27.1 | Very low | 30.6 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | 80.8 | 118.5 | 125.8 | -60.3 | 174 | 0 | 0 | 0 | 119.9 | |||||
| 259 | H | 27.4 | Very low | 29.9 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 68 | 85.6 | 155.3 | -68.4 | -54.5 | 0 | 0 | 0 | 120.9 | T261 | H259-T261 PolarHBondContact O-N 3.14Å; H259-T261 PolarHBondContact O-OG1 3.23Å | ||
| 260 | R | 24.4 | Very low | 29.2 | Very low | 229 Ų | 229 | 142.6 Ų | 142.6 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -32.7 | 101.4 | 131.6 | -178 | -177.2 | -124 | -174.6 | 1.2 | 111.4 | ||||
| 261 | T | 27.9 | Very low | 28.6 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | trans | -112.7 | 106.1 | 164 | -26.1 | 0 | 0 | 0 | 0 | 106.7 | H259 I263 | H259-T261 PolarHBondContact O-N 3.14Å; H259-T261 PolarHBondContact O-OG1 3.23Å; T261-I263 PolarHBondContact O-N 3.49Å | ||
| 262 | M | 24.6 | Very low | 28.2 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -63 | 112.1 | 171.9 | -66.1 | -93.6 | -77.9 | 0 | 0 | 107.8 | S264 | M262-S264 PolarHBondContact O-N 2.92Š| ||
| 263 | I | 29.5 | Very low | 28 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -95.2 | 84.4 | 165.9 | -61.3 | 175.1 | 0 | 0 | 0 | 106.4 | T261 | T261-I263 PolarHBondContact O-N 3.49Š| ||
| 264 | S | 26 | Very low | 27.9 | Very low | 102 Ų | 102 | 150.9 Ų | 150.9 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -71 | 114.5 | 151.1 | -63.2 | 0 | 0 | 0 | 0 | 106.6 | M262 | M262-S264 PolarHBondContact O-N 2.92Š| ||
| 265 | S | 29.5 | Very low | 27.7 | Very low | 91 Ų | 91 | 150.7 Ų | 150.7 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | -115.6 | 80.5 | 167.4 | 39 | 0 | 0 | 0 | 0 | 108.5 | T267 | S265-T267 PolarHBondContact O-N 3.47Š| ||
| 266 | E | 24.4 | Very low | 27.7 | Very low | 190 Ų | 190 | 150 Ų | 150 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | -60 | 106.3 | 148.7 | -80.6 | 171.8 | 143.2 | 0 | 0 | 106.8 | Q268 | E266-Q268 PolarHBondContact O-N 2.94Š| ||
| 267 | T | 31.1 | Very low | 27.6 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -94.3 | 94.2 | 165.4 | 30.9 | 0 | 0 | 0 | 0 | 107.6 | S265 V269 | S265-T267 PolarHBondContact O-N 3.47Å; T267-V269 PolarHBondContact O-N 3.39Å | ||
| 268 | Q | 26.1 | Very low | 27.4 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -48.7 | 123.2 | 167.7 | -157.6 | 167.9 | 11.9 | 0 | 0 | 109.3 | E266 D270 | E266-Q268 PolarHBondContact O-N 2.94Å; Q268-D270 PolarHBondContact O-N 2.96Å | ||
| 269 | V | 30.3 | Very low | 27.5 | Very low | 131 Ų | 131 | 149 Ų | 149 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -69.6 | 92.7 | 177.5 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | T267 K271 | T267-V269 PolarHBondContact O-N 3.39Å; V269-K271 PolarHBondContact O-N 3.21Å; V269-K271 VanDerWaalsContact O-N 3.1Å | ||
| 270 | D | 27.3 | Very low | 27.4 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -70.5 | 102.5 | 173.9 | -112.3 | -15.7 | 0 | 0 | 0 | 109.2 | Q268 D272 | Q268-D270 PolarHBondContact O-N 2.96Å; D270-D272 PolarHBondContact O-N 3.33Å | ||
| 271 | K | 30 | Very low | 27.6 | Very low | 185 Ų | 185 | 143.8 Ų | 143.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -74.6 | 89.1 | 164.6 | -73.6 | 178 | 175.3 | 177 | 0 | 107.7 | V269 | V269-K271 PolarHBondContact O-N 3.21Å; V269-K271 VanDerWaalsContact O-N 3.1Å | ||
| 272 | D | 27.6 | Very low | 27.4 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -163.4 | 80.7 | 160.8 | -91.1 | -28.2 | 0 | 0 | 0 | 110.3 | D270 | D270-D272 PolarHBondContact O-N 3.33Š| ||
| 273 | F | 27.9 | Very low | 27.5 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | -149.1 | 61.3 | 151.9 | -136.5 | -94.5 | 0 | 0 | 0 | 110.4 | K275 | F273-K275 HydrophobicContact CD1-CB 4.41Å; F273-K275 HydrophobicContact CE1-CB 4.18Å; F273-K275 HydrophobicContact CE1-CD 3.93Å; F273-K275 HydrophobicContact CE1-CG 4.29Å; F273-K275 HydrophobicContact CE2-CD 4.5Å; F273-K275 HydrophobicContact CZ-CD 3.81Å | ||
| 274 | I | 25.8 | Very low | 27.2 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | trans | -86.4 | 102.3 | 151.9 | -61.7 | 176.9 | 0 | 0 | 0 | 104.8 | ||||
| 275 | K | 27.5 | Very low | 27.7 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | -116.3 | 110.9 | 163 | -94.7 | -173.2 | 179.3 | 175.5 | 0 | 108.4 | F273 V277 | F273-K275 HydrophobicContact CD1-CB 4.41Å; F273-K275 HydrophobicContact CE1-CB 4.18Å; F273-K275 HydrophobicContact CE1-CD 3.93Å; F273-K275 HydrophobicContact CE1-CG 4.29Å; F273-K275 HydrophobicContact CE2-CD 4.5Å; F273-K275 HydrophobicContact CZ-CD 3.81Å; K275-V277 PolarHBondContact O-N 3.46Å | ||
| 276 | D | 26.6 | Very low | 27.5 | Very low | 135 Ų | 135 | 146.2 Ų | 146.2 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -38.2 | 123.6 | 165.5 | -55.8 | -57.2 | 0 | 0 | 0 | 112 | ||||
| 277 | V | 29.9 | Very low | 27.6 | Very low | 127 Ų | 127 | 146 Ų | 146 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -123.1 | 83.8 | 148.7 | -179.2 | 0 | 0 | 0 | 0 | 106.2 | K275 T279 | K275-V277 PolarHBondContact O-N 3.46Å; V277-T279 PolarHBondContact O-N 3.07Å | ||
| 278 | D | 24.8 | Very low | 27.3 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | -56.2 | 116.2 | 152 | -86.1 | -40.5 | 0 | 0 | 0 | 108.9 | ||||
| 279 | T | 29.6 | Very low | 27.1 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | trans | -137.8 | 91.3 | 146.8 | 40.9 | 0 | 0 | 0 | 0 | 109 | V277 I281 | V277-T279 PolarHBondContact O-N 3.07Å; T279-I281 PolarHBondContact O-N 2.79Å | ||
| 280 | D | 24.3 | Very low | 26.8 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | trans | -29.5 | 110.1 | 149.6 | -94.8 | -29.1 | 0 | 0 | 0 | 111.9 | K282 | D280-K282 IonicContact OD1-NZ 3.75Å; D280-K282 PolarHBondContact OD1-NZ 3.43Å; D280-K282 IonicContact OD2-NZ 3.43Å; D280-K282 PolarHBondContact OD2-NZ 3.18Å | ||
| 281 | I | 28.2 | Very low | 26.6 | Very low | 167 Ų | 167 | 149.9 Ų | 149.9 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | -120.6 | 83.4 | 145.3 | -59.4 | -177.7 | 0 | 0 | 0 | 106.9 | T279 | T279-I281 PolarHBondContact O-N 2.79Š| ||
| 282 | K | 25.1 | Very low | 26.3 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | trans | -57.8 | 129.1 | 164.8 | -79.3 | 166.1 | 174.9 | 125.3 | 0 | 110.1 | D280 | D280-K282 IonicContact OD1-NZ 3.75Å; D280-K282 PolarHBondContact OD1-NZ 3.43Å; D280-K282 IonicContact OD2-NZ 3.43Å; D280-K282 PolarHBondContact OD2-NZ 3.18Å | ||
| 283 | N | 25.2 | Very low | 26 | Very low | 144 Ų | 144 | 146 Ų | 146 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 30.6 | 111.3 | 133 | -59.3 | -24.2 | 0 | 0 | 0 | 117 | ||||
| 284 | N | 24.4 | Very low | 25.9 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | -153.5 | 90.6 | 127.9 | -149.9 | 16.1 | 0 | 0 | 0 | 112.1 | D286 | N284-D286 VanDerWaalsContact C-N 3.29Å; N284-D286 PolarHBondContact O-N 3.33Å | |||
| 285 | P | 36 | Very low | 25.7 | Very low | 112 Ų | 112 | 147.6 Ų | 147.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -82.1 | 81 | 161.4 | 34.1 | -25.4 | 0 | 0 | 0 | 107.5 | ||||
| 286 | D | 26.1 | Very low | 25.5 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | trans | -156.9 | 78.7 | 171.6 | -93.8 | -33.7 | 0 | 0 | 0 | 110.4 | N284 | N284-D286 VanDerWaalsContact C-N 3.29Å; N284-D286 PolarHBondContact O-N 3.33Å | ||
| 287 | Q | 25.6 | Very low | 25.5 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -129.2 | 89.6 | 144.7 | -81.7 | -170.8 | 35.6 | 0 | 0 | 109.4 | ||||
| 288 | I | 24.1 | Very low | 25.2 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | 51.3 | 91.9 | 121 | -57.4 | 168.1 | 0 | 0 | 0 | 113.1 | |||||
| 289 | Q | 23.3 | Very low | 25.1 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | 54.7 | 119.5 | 101.8 | -93.3 | 179.4 | 14.2 | 0 | 0 | 114.9 | |||||
| 290 | K | 23.7 | Very low | 25.2 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | 87.5 | 84.7 | 129.9 | -158 | -177.9 | -169.2 | -178.8 | 0 | 116.6 | |||||
| 291 | L | 23.6 | Very low | 25.1 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -130.5 | 69 | 137.6 | -68.4 | 174 | 0 | 0 | 0 | 107.2 | ||||
| 292 | S | 22.6 | Very low | 25 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | 42.2 | 93.6 | 103.4 | -164.4 | 0 | 0 | 0 | 0 | 112.7 | K294 | S292-K294 PolarHBondContact O-N 3.32Š| |||
| 293 | L | 22 | Very low | 24.9 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -17.7 | 119.6 | 146.9 | -73.9 | 135.1 | 0 | 0 | 0 | 112.4 | ||||
| 294 | K | 25.4 | Very low | 24.9 | Very low | 214 Ų | 214 | 141.5 Ų | 141.5 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -110.4 | 81.8 | 153.4 | -134.9 | 178.3 | -173.7 | -178.9 | 0 | 107.2 | S292 | S292-K294 PolarHBondContact O-N 3.32Š| ||
| 295 | E | 22.7 | Very low | 24.8 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | -57 | 161.3 | 160.6 | -159.4 | 171.5 | -159.8 | 0 | 0 | 110.1 | ||||
| 296 | T | 23.3 | Very low | 24.2 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | 92.2 | 95.2 | 163.3 | 74.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 297 | A | 25.8 | Very low | 24.1 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | -153.9 | 70.6 | 131.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 298 | S | 22.6 | Very low | 23.9 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -55 | 136.1 | 159 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 299 | L | 23.1 | Very low | 23.9 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | -163.7 | 151.9 | 148.8 | -120.2 | 91.8 | 0 | 0 | 0 | 108.7 | ||||
| 300 | P | 32.6 | Very low | 23.9 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | -114.8 | 136.7 | -106.9 | 32.4 | -18.9 | 0 | 0 | 0 | 113.1 | G302 | P300-G302 PolarHBondContact O-N 2.91Š| |||
| 301 | K | 21.9 | Very low | 24 | Very low | 211 Ų | 211 | 138.5 Ų | 138.5 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -79 | 96.7 | 159.5 | -75.3 | -178.7 | 177.1 | 179.2 | 0 | 107.8 | S303 | K301-S303 PolarHBondContact O-N 3.3Š| ||
| 302 | G | 25 | Very low | 24 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | -72 | 97.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P300 V304 | P300-G302 PolarHBondContact O-N 2.91Å; G302-V304 PolarHBondContact O-N 2.87Å | ||
| 303 | S | 23 | Very low | 24 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -67.6 | 108.3 | 157.3 | 26.9 | 0 | 0 | 0 | 0 | 108.3 | K301 | K301-S303 PolarHBondContact O-N 3.3Š| ||
| 304 | V | 25.1 | Very low | 24.1 | Very low | 123 Ų | 123 | 139 Ų | 139 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | trans | -94.1 | 90.6 | 160.9 | 179.7 | 0 | 0 | 0 | 0 | 106.2 | G302 I306 | G302-V304 PolarHBondContact O-N 2.87Å; V304-I306 HydrophobicContact CG1-CD1 4.25Å; V304-I306 HydrophobicContact CG1-CG1 3.81Å; V304-I306 PolarHBondContact O-N 3.28Å | ||
| 305 | E | 22.4 | Very low | 24.1 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -57.7 | 116.2 | 156.9 | -73 | 176 | 150.2 | 0 | 0 | 107.8 | ||||
| 306 | I | 24.5 | Very low | 24.1 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -108.7 | 102.4 | 159.1 | -57.5 | -176.5 | 0 | 0 | 0 | 105.9 | V304 K308 | V304-I306 HydrophobicContact CG1-CD1 4.25Å; V304-I306 HydrophobicContact CG1-CG1 3.81Å; V304-I306 PolarHBondContact O-N 3.28Å; I306-K308 PolarHBondContact O-N 3.48Å | ||
| 307 | S | 23.8 | Very low | 24.4 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | -40.9 | 119.8 | 171.1 | -48 | 0 | 0 | 0 | 0 | 110.9 | S309 | S307-S309 VanDerWaalsContact C-N 3.28Å; S307-S309 PolarHBondContact O-N 3.18Å | ||
| 308 | K | 21.7 | Very low | 24.4 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | trans | -64.1 | 94.9 | 159.4 | -77.3 | 179.1 | 177.8 | 175.4 | 0 | 106.4 | I306 S310 E782 | I306-K308 PolarHBondContact O-N 3.48Å; K308-S310 VanDerWaalsContact C-N 3.3Å; K308-S310 PolarHBondContact O-N 2.81Å; K308-E782 IonicContact NZ-OE1 3.21Å; K308-E782 PolarHBondContact NZ-OE1 3.11Å; K308-E782 IonicContact NZ-OE2 3.77Å | ||
| 309 | S | 24.4 | Very low | 24.7 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -68.4 | 89.5 | 170.3 | -52.5 | 0 | 0 | 0 | 0 | 109 | S307 E311 | S307-S309 VanDerWaalsContact C-N 3.28Å; S307-S309 PolarHBondContact O-N 3.18Å; S309-E311 PolarHBondContact O-N 2.82Å | ||
| 310 | S | 22.5 | Very low | 24.8 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -73.5 | 92.1 | 159.9 | -54.9 | 0 | 0 | 0 | 0 | 108.4 | K308 | K308-S310 VanDerWaalsContact C-N 3.3Å; K308-S310 PolarHBondContact O-N 2.81Å | ||
| 311 | E | 25.3 | Very low | 24.6 | Very low | 178 Ų | 178 | 132.7 Ų | 132.7 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -126.6 | 97.7 | 162.6 | -80.4 | -169.7 | 171.8 | 0 | 0 | 110.5 | S309 | S309-E311 PolarHBondContact O-N 2.82Š| ||
| 312 | L | 25.1 | Very low | 24.9 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | 43 | 99.5 | 134.2 | -66.2 | 164.6 | 0 | 0 | 0 | 117.6 | S314 | L312-S314 PolarHBondContact O-N 3.25Š| ||
| 313 | L | 22 | Very low | 25 | Very low | 184 Ų | 184 | 133.4 Ų | 133.4 | 96% | 0.963 | 78% | 0.783 | S | S | * | * | trans | -44.6 | 105.2 | 143 | -67.1 | 165.5 | 0 | 0 | 0 | 110 | ||||
| 314 | S | 23.3 | Very low | 25.4 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | -148.1 | 128.1 | 156.4 | 76.3 | 0 | 0 | 0 | 0 | 112.6 | L312 | L312-S314 PolarHBondContact O-N 3.25Š| ||
| 315 | S | 25.7 | Very low | 25.6 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 62.8 | 96.3 | 156.1 | 53.1 | 0 | 0 | 0 | 0 | 119.4 | P317 | S315-P317 WeakPolarHBondContact O-CD 3.32Š| ||
| 316 | S | 23.7 | Very low | 26 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -60.9 | 114.2 | 143.8 | 166.8 | 0 | 0 | 0 | 0 | 109.6 | V318 | S316-V318 PolarHBondContact O-N 2.9Š| ||
| 317 | P | 29 | Very low | 26.3 | Very low | 104 Ų | 104 | 135 Ų | 135 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | -86.3 | 114.1 | 172.1 | 30 | -20.8 | 0 | 0 | 0 | 109.3 | S315 L319 | S315-P317 WeakPolarHBondContact O-CD 3.32Å; P317-L319 PolarHBondContact O-N 3.47Å; P317-L319 VanDerWaalsContact O-N 3.15Å | ||
| 318 | V | 26.6 | Very low | 26.9 | Very low | 122 Ų | 122 | 141 Ų | 141 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | -65.2 | 104.4 | 164.7 | 176 | 0 | 0 | 0 | 0 | 107.9 | S316 | S316-V318 PolarHBondContact O-N 2.9Š| ||
| 319 | L | 27.5 | Very low | 27.9 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -96.3 | 91.6 | 166.9 | -75.8 | 175.6 | 0 | 0 | 0 | 109.7 | P317 | P317-L319 PolarHBondContact O-N 3.47Å; P317-L319 VanDerWaalsContact O-N 3.15Å | ||
| 320 | N | 26.2 | Very low | 29.3 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -73 | 116.4 | 153.4 | -94.1 | -22.5 | 0 | 0 | 0 | 108.5 | ||||
| 321 | A | 27.8 | Very low | 30.9 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -159.3 | 98.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 322 | S | 28.1 | Very low | 32.7 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 46.4 | 102 | 139.7 | -61.9 | 0 | 0 | 0 | 0 | 120.2 | S324 | S322-S324 PolarHBondContact O-N 3.01Š| ||
| 323 | L | 27 | Very low | 34.6 | Very low | 179 Ų | 179 | 125.2 Ų | 125.2 | 94% | 0.937 | 76% | 0.757 | S | S | * | * | trans | -57 | 103.3 | 154.4 | -66.6 | 161.7 | 0 | 0 | 0 | 111.8 | ||||
| 324 | S | 30.9 | Very low | 36.9 | Very low | 96 Ų | 96 | 119.1 Ų | 119.1 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | trans | -164.7 | 95.4 | 150.7 | -7.6 | 0 | 0 | 0 | 0 | 108.9 | S322 | S322-S324 PolarHBondContact O-N 3.01Š| ||
| 325 | N | 29.3 | Very low | 39.5 | Very low | 165 Ų | 165 | 117.5 Ų | 117.5 | 88% | 0.882 | 73% | 0.726 | S | S | * | * | trans | 162.2 | 63.5 | 148.1 | -80.8 | -13.3 | 0 | 0 | 0 | 111.1 | ||||
| 326 | L | 31.6 | Very low | 42.1 | Very low | 157 Ų | 157 | 118 Ų | 118 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | trans | -131.9 | 79.2 | 165.9 | -139.8 | 95 | 0 | 0 | 0 | 109.7 | ||||
| 327 | F | 31.3 | Very low | 44.6 | Very low | 175 Ų | 175 | 117.3 Ų | 117.3 | 77% | 0.768 | 70% | 0.704 | S | S | * | * | trans | -136.8 | 128.9 | 158.4 | -139 | -99.3 | 0 | 0 | 0 | 107.5 | ||||
| 328 | Y | 36.8 | Very low | 47 | Very low | 218 Ų | 218 | 114.6 Ų | 114.6 | 86% | 0.855 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 87.4 | 77.8 | -172.2 | -54 | -72.3 | 0 | 0 | 0 | 116.4 | ||
| 329 | G | 41.5 | Very low | 49.7 | Very low | 65 Ų | 65 | 111.2 Ų | 111.2 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | trans | 169.2 | -9.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | A331 | G329-A331 PolarHBondContact O-N 2.99Š| ||
| 330 | S | 55.3 | Low | 52.5 | Low | 82 Ų | 82 | 108.1 Ų | 108.1 | 57% | 0.573 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -83 | -10.9 | -157.8 | 72.2 | 0 | 0 | 0 | 0 | 118.6 | A334 | S330-A334 VanDerWaalsContact O-CB 3.27Å; S330-A334 WeakPolarHBondContact O-CB 3.42Å; S330-A334 PolarHBondContact O-N 3.42Å |
| 331 | A | 54.6 | Low | 55.4 | Low | 84 Ų | 84 | 107.5 Ų | 107.5 | 69% | 0.694 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.6 | -39.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | G329 A335 | G329-A331 PolarHBondContact O-N 2.99Å; A331-A335 PolarHBondContact O-N 3.14Å |
| 332 | S | 63.8 | Low | 58.3 | Low | 99 Ų | 99 | 107.6 Ų | 107.6 | 69% | 0.692 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.8 | -36.5 | -178.2 | -172.3 | 0 | 0 | 0 | 0 | 112.9 | L336 | S332-L336 PolarHBondContact O-N 3.35Å |
| 333 | A | 65.6 | Low | 61.2 | Low | 61 Ų | 61 | 107.8 Ų | 107.8 | 50% | 0.504 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.7 | -41.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A335 L336 E337 | A333-A335 VanDerWaalsContact C-N 3.31Å; A333-A335 PolarHBondContact O-N 3.04Å; A333-L336 PolarHBondContact O-N 3.06Å; A333-E337 WeakPolarHBondContact O-CB 3.38Å; A333-E337 PolarHBondContact O-N 3.32Å |
| 334 | A | 70.4 | Confident | 64 | Low | 56 Ų | 56 | 104.9 Ų | 104.9 | 46% | 0.463 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.8 | -37.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S330 A338 | S330-A334 VanDerWaalsContact O-CB 3.27Å; S330-A334 WeakPolarHBondContact O-CB 3.42Å; S330-A334 PolarHBondContact O-N 3.42Å; A334-A338 WeakPolarHBondContact O-CB 3.35Å; A334-A338 PolarHBondContact O-N 3.05Å |
| 335 | A | 76.5 | Confident | 66.6 | Low | 63 Ų | 63 | 106 Ų | 106 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.4 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A331 A333 A338 A339 | A331-A335 PolarHBondContact O-N 3.14Å; A333-A335 VanDerWaalsContact C-N 3.31Å; A333-A335 PolarHBondContact O-N 3.04Å; A335-A338 PolarHBondContact O-N 3.24Å; A335-A339 PolarHBondContact O-N 3.4Å |
| 336 | L | 80.1 | Confident | 69.4 | Low | 115 Ų | 115 | 103.7 Ų | 103.7 | 60% | 0.602 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.6 | -40.1 | 177 | -172.1 | 65.3 | 0 | 0 | 0 | 111.9 | S332 A333 A339 N340 | S332-L336 PolarHBondContact O-N 3.35Å; A333-L336 PolarHBondContact O-N 3.06Å; L336-A339 PolarHBondContact O-N 3.17Å; L336-N340 PolarHBondContact O-N 2.85Å |
| 337 | E | 77.6 | Confident | 72.2 | Confident | 95 Ų | 95 | 101.2 Ų | 101.2 | 44% | 0.444 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.2 | -38.7 | 175.6 | -165.9 | -178 | 162.2 | 0 | 0 | 111.9 | A333 N340 R341 | A333-E337 WeakPolarHBondContact O-CB 3.38Å; A333-E337 PolarHBondContact O-N 3.32Å; E337-N340 PolarHBondContact O-N 2.8Å; E337-R341 VanDerWaalsContact CD-NH1 3.3Å; E337-R341 PolarHBondContact O-N 2.75Å; E337-R341 IonicContact OE1-CZ 3.06Å; E337-R341 IonicContact OE1-NH1 2.82Å; E337-R341 PolarHBondContact OE1-NH1 3.15Å; E337-R341 IonicContact OE1-NH2 2.69Å; E337-R341 PolarHBondContact OE1-NH2 3.2Å |
| 338 | A | 79.5 | Confident | 75 | Confident | 46 Ų | 46 | 96.4 Ų | 96.4 | 38% | 0.38 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A334 A335 R341 I342 | A334-A338 WeakPolarHBondContact O-CB 3.35Å; A334-A338 PolarHBondContact O-N 3.05Å; A335-A338 PolarHBondContact O-N 3.24Å; A338-R341 PolarHBondContact O-N 2.98Å; A338-I342 WeakPolarHBondContact O-CG1 3.35Å; A338-I342 PolarHBondContact O-N 3.34Å |
| 339 | A | 83.4 | Confident | 77.5 | Confident | 51 Ų | 51 | 92 Ų | 92 | 42% | 0.421 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A335 L336 I342 K343 | A335-A339 PolarHBondContact O-N 3.4Å; L336-A339 PolarHBondContact O-N 3.17Å; A339-I342 PolarHBondContact O-N 2.88Å; A339-K343 PolarHBondContact O-N 3.27Å |
| 340 | N | 86 | Confident | 79.9 | Confident | 98 Ų | 98 | 95.2 Ų | 95.2 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 175.4 | -72.8 | -20.2 | 0 | 0 | 0 | 112 | L336 E337 I342 K343 E344 | L336-N340 PolarHBondContact O-N 2.85Å; E337-N340 PolarHBondContact O-N 2.8Å; N340-I342 VanDerWaalsContact C-N 3.35Å; N340-I342 PolarHBondContact O-N 2.96Å; N340-K343 PolarHBondContact O-N 3.31Å; N340-E344 PolarHBondContact O-N 2.97Å |
| 341 | R | 86.2 | Confident | 81.5 | Confident | 140 Ų | 140 | 96.4 Ų | 96.4 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 173.9 | -81 | 174.6 | 174.7 | 126.2 | 9.9 | 112.6 | E337 A338 K343 E344 L345 | E337-R341 VanDerWaalsContact CD-NH1 3.3Å; E337-R341 PolarHBondContact O-N 2.75Å; E337-R341 IonicContact OE1-CZ 3.06Å; E337-R341 IonicContact OE1-NH1 2.82Å; E337-R341 PolarHBondContact OE1-NH1 3.15Å; E337-R341 IonicContact OE1-NH2 2.69Å; E337-R341 PolarHBondContact OE1-NH2 3.2Å; A338-R341 PolarHBondContact O-N 2.98Å; R341-K343 VanDerWaalsContact C-N 3.32Å; R341-E344 PolarHBondContact O-N 2.96Å; R341-L345 WeakPolarHBondContact O-CB 3.34Å; R341-L345 VanDerWaalsContact O-CG 3.24Å; R341-L345 WeakPolarHBondContact O-CG 3.24Å; R341-L345 PolarHBondContact O-N 3.49Å |
| 342 | I | 88.6 | Confident | 83 | Confident | 98 Ų | 98 | 100.4 Ų | 100.4 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 175.7 | -69.8 | 166.7 | 0 | 0 | 0 | 110.4 | A338 A339 N340 L345 Q346 | A338-I342 WeakPolarHBondContact O-CG1 3.35Å; A338-I342 PolarHBondContact O-N 3.34Å; A339-I342 PolarHBondContact O-N 2.88Å; N340-I342 VanDerWaalsContact C-N 3.35Å; N340-I342 PolarHBondContact O-N 2.96Å; I342-L345 PolarHBondContact O-N 2.96Å; I342-Q346 WeakPolarHBondContact O-CG 3.43Å; I342-Q346 PolarHBondContact O-N 2.98Å |
| 343 | K | 88.3 | Confident | 84.2 | Confident | 121 Ų | 121 | 98 Ų | 98 | 53% | 0.526 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 177.5 | -169.4 | -177.1 | 176.5 | -165.8 | 0 | 112.2 | A339 N340 R341 L345 Q346 E347 | A339-K343 PolarHBondContact O-N 3.27Å; N340-K343 PolarHBondContact O-N 3.31Å; R341-K343 VanDerWaalsContact C-N 3.32Å; K343-L345 VanDerWaalsContact C-N 3.32Å; K343-L345 PolarHBondContact O-N 2.97Å; K343-Q346 WeakPolarHBondContact O-CB 3.33Å; K343-Q346 PolarHBondContact O-N 3.26Å; K343-Q346 VanDerWaalsContact O-N 3.16Å; K343-E347 VanDerWaalsContact CE-OE1 3.28Å; K343-E347 WeakPolarHBondContact CE-OE1 3.38Å; K343-E347 IonicContact NZ-OE1 3.55Å; K343-E347 PolarHBondContact O-N 2.65Å |
| 344 | E | 86.8 | Confident | 85.4 | Confident | 117 Ų | 117 | 98.6 Ų | 98.6 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 175.9 | -173.1 | -176.7 | 178.1 | 0 | 0 | 111.9 | N340 R341 Q346 E347 N348 | N340-E344 PolarHBondContact O-N 2.97Å; R341-E344 PolarHBondContact O-N 2.96Å; E344-Q346 VanDerWaalsContact C-N 3.34Å; E344-E347 PolarHBondContact O-N 3.05Å; E344-N348 WeakPolarHBondContact O-CB 3.44Å; E344-N348 PolarHBondContact O-N 3.12Å; E344-N348 PolarHBondContact O-ND2 3.36Å |
| 345 | L | 86.3 | Confident | 86.2 | Confident | 119 Ų | 119 | 99.7 Ų | 99.7 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.6 | -35.3 | 174.7 | -72.6 | 171.7 | 0 | 0 | 0 | 112.3 | R341 I342 K343 L349 | R341-L345 WeakPolarHBondContact O-CB 3.34Å; R341-L345 VanDerWaalsContact O-CG 3.24Å; R341-L345 WeakPolarHBondContact O-CG 3.24Å; R341-L345 PolarHBondContact O-N 3.49Å; I342-L345 PolarHBondContact O-N 2.96Å; K343-L345 VanDerWaalsContact C-N 3.32Å; K343-L345 PolarHBondContact O-N 2.97Å; L345-L349 WeakPolarHBondContact O-CB 3.39Å; L345-L349 PolarHBondContact O-N 3.25Å |
| 346 | Q | 87.5 | Confident | 86.9 | Confident | 117 Ų | 117 | 101.5 Ų | 101.5 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -46.4 | 174.1 | -75.6 | 173.6 | -27.2 | 0 | 0 | 111.7 | I342 K343 E344 N348 L349 E350 | I342-Q346 WeakPolarHBondContact O-CG 3.43Å; I342-Q346 PolarHBondContact O-N 2.98Å; K343-Q346 WeakPolarHBondContact O-CB 3.33Å; K343-Q346 PolarHBondContact O-N 3.26Å; K343-Q346 VanDerWaalsContact O-N 3.16Å; E344-Q346 VanDerWaalsContact C-N 3.34Å; Q346-N348 PolarHBondContact O-N 3.49Å; Q346-L349 PolarHBondContact O-N 3.13Å; Q346-E350 PolarHBondContact O-N 3.44Å |
| 347 | E | 90.6 | Very high | 87.3 | Confident | 105 Ų | 105 | 100.7 Ų | 100.7 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.7 | -72.6 | 174.9 | -171.6 | 0 | 0 | 111.4 | K343 E344 L349 E350 Q351 | K343-E347 VanDerWaalsContact CE-OE1 3.28Å; K343-E347 WeakPolarHBondContact CE-OE1 3.38Å; K343-E347 IonicContact NZ-OE1 3.55Å; K343-E347 PolarHBondContact O-N 2.65Å; E344-E347 PolarHBondContact O-N 3.05Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 2.97Å; E347-E350 PolarHBondContact O-N 3.42Å; E347-Q351 PolarHBondContact O-N 3.33Å |
| 348 | N | 89.6 | Confident | 87.9 | Confident | 74 Ų | 74 | 98.4 Ų | 98.4 | 40% | 0.396 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 174.3 | -80.8 | -50.6 | 0 | 0 | 0 | 112.6 | E344 Q346 Q351 R352 | E344-N348 WeakPolarHBondContact O-CB 3.44Å; E344-N348 PolarHBondContact O-N 3.12Å; E344-N348 PolarHBondContact O-ND2 3.36Å; Q346-N348 PolarHBondContact O-N 3.49Å; N348-Q351 PolarHBondContact O-N 3.32Å; N348-R352 WeakPolarHBondContact O-CB 3.25Å; N348-R352 VanDerWaalsContact O-CG 3.31Å; N348-R352 WeakPolarHBondContact O-CG 3.38Å; N348-R352 PolarHBondContact O-N 2.92Å |
| 349 | L | 89.5 | Confident | 88.3 | Confident | 126 Ų | 126 | 98.5 Ų | 98.5 | 66% | 0.66 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.5 | -37.3 | 178.7 | -166.8 | 139.8 | 0 | 0 | 0 | 111.6 | L345 Q346 E347 R352 A353 | L345-L349 WeakPolarHBondContact O-CB 3.39Å; L345-L349 PolarHBondContact O-N 3.25Å; Q346-L349 PolarHBondContact O-N 3.13Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 2.97Å; L349-R352 PolarHBondContact O-N 3.46Å; L349-A353 WeakPolarHBondContact O-CB 3.5Å; L349-A353 PolarHBondContact O-N 3.27Å |
| 350 | E | 90.7 | Very high | 88.6 | Confident | 132 Ų | 132 | 104 Ų | 104 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.2 | -40.4 | 172.2 | -77.7 | 179.7 | 171.9 | 0 | 0 | 112.5 | Q346 E347 A353 S354 | Q346-E350 PolarHBondContact O-N 3.44Å; E347-E350 PolarHBondContact O-N 3.42Å; E350-A353 PolarHBondContact O-N 3.02Å; E350-S354 WeakPolarHBondContact O-CB 3.38Å; E350-S354 PolarHBondContact O-N 3.48Å; E350-S354 PolarHBondContact O-OG 3.48Å |
| 351 | Q | 89.8 | Confident | 88.8 | Confident | 107 Ų | 107 | 108.3 Ų | 108.3 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 173.3 | -177.1 | 179.6 | -11.7 | 0 | 0 | 110.9 | E347 N348 A353 S354 E355 | E347-Q351 PolarHBondContact O-N 3.33Å; N348-Q351 PolarHBondContact O-N 3.32Å; Q351-A353 VanDerWaalsContact C-N 3.32Å; Q351-A353 PolarHBondContact O-N 3.45Å; Q351-S354 WeakPolarHBondContact O-CB 3.23Å; Q351-S354 PolarHBondContact O-N 3.47Å; Q351-S354 VanDerWaalsContact O-N 3.12Å; Q351-E355 PolarHBondContact NE2-OE1 3.37Å; Q351-E355 WeakPolarHBondContact O-CG 3.33Å; Q351-E355 PolarHBondContact O-N 3.42Å |
| 352 | R | 85.7 | Confident | 89 | Confident | 168 Ų | 168 | 107.6 Ų | 107.6 | 63% | 0.634 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -37.8 | 176.9 | -72 | -60.7 | -169.6 | -175.4 | 3.8 | 112.7 | N348 L349 S354 E355 L356 | N348-R352 WeakPolarHBondContact O-CB 3.25Å; N348-R352 VanDerWaalsContact O-CG 3.31Å; N348-R352 WeakPolarHBondContact O-CG 3.38Å; N348-R352 PolarHBondContact O-N 2.92Å; L349-R352 PolarHBondContact O-N 3.46Å; R352-S354 VanDerWaalsContact C-N 3.33Å; R352-E355 WeakPolarHBondContact CD-OE2 3.45Å; R352-E355 IonicContact CZ-OE2 3.95Å; R352-E355 IonicContact NE-OE2 2.86Å; R352-E355 IonicContact NH1-OE2 3.93Å; R352-E355 PolarHBondContact NH1-OE2 3.32Å; R352-L356 WeakPolarHBondContact O-CB 3.46Å; R352-L356 PolarHBondContact O-N 3.39Å |
| 353 | A | 89.8 | Confident | 89 | Confident | 48 Ų | 48 | 107.2 Ų | 107.2 | 40% | 0.397 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L349 E350 Q351 L356 L357 | L349-A353 WeakPolarHBondContact O-CB 3.5Å; L349-A353 PolarHBondContact O-N 3.27Å; E350-A353 PolarHBondContact O-N 3.02Å; Q351-A353 VanDerWaalsContact C-N 3.32Å; Q351-A353 PolarHBondContact O-N 3.45Å; A353-L356 PolarHBondContact O-N 3.31Å; A353-L357 WeakPolarHBondContact O-CG 3.32Å; A353-L357 PolarHBondContact O-N 2.97Å |
| 354 | S | 89.7 | Confident | 89.1 | Confident | 75 Ų | 75 | 107.3 Ų | 107.3 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.5 | -43.5 | 177.1 | -60 | 0 | 0 | 0 | 0 | 112.3 | E350 Q351 R352 L356 L357 A358 | E350-S354 WeakPolarHBondContact O-CB 3.38Å; E350-S354 PolarHBondContact O-N 3.48Å; E350-S354 PolarHBondContact O-OG 3.48Å; Q351-S354 WeakPolarHBondContact O-CB 3.23Å; Q351-S354 PolarHBondContact O-N 3.47Å; Q351-S354 VanDerWaalsContact O-N 3.12Å; R352-S354 VanDerWaalsContact C-N 3.33Å; S354-L356 VanDerWaalsContact C-N 3.32Å; S354-L356 PolarHBondContact O-N 3.26Å; S354-L357 PolarHBondContact O-N 2.94Å; S354-A358 PolarHBondContact O-N 2.88Å |
| 355 | E | 88.4 | Confident | 89.2 | Confident | 78 Ų | 78 | 106.2 Ų | 106.2 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 172.7 | -72.7 | 171.9 | -170.7 | 0 | 0 | 111.3 | Q351 R352 L357 A358 A359 | Q351-E355 PolarHBondContact NE2-OE1 3.37Å; Q351-E355 WeakPolarHBondContact O-CG 3.33Å; Q351-E355 PolarHBondContact O-N 3.42Å; R352-E355 WeakPolarHBondContact CD-OE2 3.45Å; R352-E355 IonicContact CZ-OE2 3.95Å; R352-E355 IonicContact NE-OE2 2.86Å; R352-E355 IonicContact NH1-OE2 3.93Å; R352-E355 PolarHBondContact NH1-OE2 3.32Å; E355-L357 PolarHBondContact O-N 2.93Å; E355-A358 PolarHBondContact O-N 3.26Å; E355-A359 PolarHBondContact O-N 2.91Å |
| 356 | L | 89.8 | Confident | 89.2 | Confident | 102 Ų | 102 | 106 Ų | 106 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -37.6 | 177.9 | -171.4 | 124.7 | 0 | 0 | 0 | 112.3 | R352 A353 S354 R360 | R352-L356 WeakPolarHBondContact O-CB 3.46Å; R352-L356 PolarHBondContact O-N 3.39Å; A353-L356 PolarHBondContact O-N 3.31Å; S354-L356 VanDerWaalsContact C-N 3.32Å; S354-L356 PolarHBondContact O-N 3.26Å; L356-R360 WeakPolarHBondContact O-CG 3.43Å; L356-R360 PolarHBondContact O-N 2.83Å |
| 357 | L | 90.4 | Very high | 89.3 | Confident | 97 Ų | 97 | 104.6 Ų | 104.6 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 172.7 | -76.9 | 172.4 | 0 | 0 | 0 | 112.1 | A353 S354 E355 R360 R361 | A353-L357 WeakPolarHBondContact O-CG 3.32Å; A353-L357 PolarHBondContact O-N 2.97Å; S354-L357 PolarHBondContact O-N 2.94Å; E355-L357 PolarHBondContact O-N 2.93Å; L357-R360 PolarHBondContact O-N 2.98Å; L357-R361 WeakPolarHBondContact O-CG 3.44Å; L357-R361 PolarHBondContact O-N 3.48Å; L357-R361 VanDerWaalsContact O-N 3.09Å |
| 358 | A | 88.4 | Confident | 89.3 | Confident | 47 Ų | 47 | 102 Ų | 102 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S354 E355 R360 R361 Q362 | S354-A358 PolarHBondContact O-N 2.88Å; E355-A358 PolarHBondContact O-N 3.26Å; A358-R360 VanDerWaalsContact C-N 3.34Å; A358-R360 PolarHBondContact O-N 3.22Å; A358-R361 PolarHBondContact O-N 3.33Å; A358-R361 VanDerWaalsContact O-N 3.17Å; A358-Q362 PolarHBondContact O-N 3.41Å |
| 359 | A | 88.4 | Confident | 89.3 | Confident | 48 Ų | 48 | 105.4 Ų | 105.4 | 40% | 0.397 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E355 R361 Q362 V363 | E355-A359 PolarHBondContact O-N 2.91Å; A359-R361 VanDerWaalsContact C-N 3.34Å; A359-R361 PolarHBondContact O-N 3.49Å; A359-Q362 PolarHBondContact O-N 3.48Å; A359-V363 WeakPolarHBondContact O-CG2 3.42Å; A359-V363 PolarHBondContact O-N 2.98Å |
| 360 | R | 89.2 | Confident | 89.2 | Confident | 166 Ų | 166 | 103.3 Ų | 103.3 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.6 | -40 | 174.4 | -78.1 | -178.8 | 177.7 | -157.9 | 0.8 | 112.7 | L356 L357 A358 V363 I364 | L356-R360 WeakPolarHBondContact O-CG 3.43Å; L356-R360 PolarHBondContact O-N 2.83Å; L357-R360 PolarHBondContact O-N 2.98Å; A358-R360 VanDerWaalsContact C-N 3.34Å; A358-R360 PolarHBondContact O-N 3.22Å; R360-V363 PolarHBondContact O-N 2.86Å; R360-I364 WeakPolarHBondContact O-CG1 3.27Å; R360-I364 PolarHBondContact O-N 2.97Å |
| 361 | R | 92 | Very high | 89.2 | Confident | 189 Ų | 189 | 106 Ų | 106 | 71% | 0.713 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.7 | -43.4 | 175.5 | -71.3 | 177.5 | -175.8 | 165.6 | 2.2 | 111.6 | L357 A358 A359 V363 I364 E365 | L357-R361 WeakPolarHBondContact O-CG 3.44Å; L357-R361 PolarHBondContact O-N 3.48Å; L357-R361 VanDerWaalsContact O-N 3.09Å; A358-R361 PolarHBondContact O-N 3.33Å; A358-R361 VanDerWaalsContact O-N 3.17Å; A359-R361 VanDerWaalsContact C-N 3.34Å; A359-R361 PolarHBondContact O-N 3.49Å; R361-V363 VanDerWaalsContact C-N 3.34Å; R361-V363 PolarHBondContact O-N 3.02Å; R361-I364 PolarHBondContact O-N 3.26Å; R361-E365 PolarHBondContact O-N 2.93Å |
| 362 | Q | 89.3 | Confident | 89.1 | Confident | 126 Ų | 126 | 106.5 Ų | 106.5 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.5 | -40.4 | 176.5 | -71.8 | -177.3 | -5.9 | 0 | 0 | 112.4 | A358 A359 I364 E365 L366 | A358-Q362 PolarHBondContact O-N 3.41Å; A359-Q362 PolarHBondContact O-N 3.48Å; Q362-I364 VanDerWaalsContact C-N 3.34Å; Q362-I364 PolarHBondContact O-N 3.4Å; Q362-E365 PolarHBondContact O-N 3.25Å; Q362-L366 WeakPolarHBondContact O-CB 3.39Å; Q362-L366 WeakPolarHBondContact O-CG 3.38Å; Q362-L366 PolarHBondContact O-N 3.41Å |
| 363 | V | 89.1 | Confident | 89 | Confident | 90 Ų | 90 | 102.4 Ų | 102.4 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | A359 R360 R361 T367 | A359-V363 WeakPolarHBondContact O-CG2 3.42Å; A359-V363 PolarHBondContact O-N 2.98Å; R360-V363 PolarHBondContact O-N 2.86Å; R361-V363 VanDerWaalsContact C-N 3.34Å; R361-V363 PolarHBondContact O-N 3.02Å; V363-T367 WeakPolarHBondContact O-CB 3.34Å; V363-T367 PolarHBondContact O-N 3.48Å; V363-T367 PolarHBondContact O-OG1 2.95Å |
| 364 | I | 90.3 | Very high | 88.9 | Confident | 122 Ų | 122 | 103.6 Ų | 103.6 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 176.2 | -66.8 | 167.7 | 0 | 0 | 0 | 110.5 | R360 R361 Q362 T367 S368 | R360-I364 WeakPolarHBondContact O-CG1 3.27Å; R360-I364 PolarHBondContact O-N 2.97Å; R361-I364 PolarHBondContact O-N 3.26Å; Q362-I364 VanDerWaalsContact C-N 3.34Å; Q362-I364 PolarHBondContact O-N 3.4Å; I364-T367 PolarHBondContact O-N 2.9Å; I364-S368 PolarHBondContact O-N 2.85Å |
| 365 | E | 88.8 | Confident | 88.9 | Confident | 95 Ų | 95 | 104.7 Ų | 104.7 | 44% | 0.444 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 179.1 | -171.2 | 170.9 | 171.6 | 0 | 0 | 111.9 | R361 Q362 T367 S368 R369 | R361-E365 PolarHBondContact O-N 2.93Å; Q362-E365 PolarHBondContact O-N 3.25Å; E365-T367 VanDerWaalsContact C-N 3.28Å; E365-T367 PolarHBondContact O-N 3.21Å; E365-S368 WeakPolarHBondContact CA-OG 3.39Å; E365-S368 PolarHBondContact O-N 3.31Å; E365-S368 VanDerWaalsContact O-N 3.12Å; E365-S368 PolarHBondContact O-OG 3.27Å; E365-R369 WeakPolarHBondContact O-CG 3.43Å; E365-R369 PolarHBondContact O-N 3.34Å; E365-R369 IonicContact OE1-CZ 3.23Å; E365-R369 IonicContact OE1-NE 2.68Å; E365-R369 PolarHBondContact OE1-NE 3.24Å; E365-R369 IonicContact OE1-NH2 2.99Å; E365-R369 PolarHBondContact OE1-NH2 3.07Å |
| 366 | L | 87.1 | Confident | 88.8 | Confident | 113 Ų | 113 | 104.8 Ų | 104.8 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.8 | -36.6 | 175.2 | -70.5 | 174.8 | 0 | 0 | 0 | 112.3 | Q362 R369 S370 | Q362-L366 WeakPolarHBondContact O-CB 3.39Å; Q362-L366 WeakPolarHBondContact O-CG 3.38Å; Q362-L366 PolarHBondContact O-N 3.41Å; L366-R369 PolarHBondContact O-N 2.75Å; L366-S370 VanDerWaalsContact O-CB 3.3Å; L366-S370 WeakPolarHBondContact O-CB 3.46Å; L366-S370 PolarHBondContact O-N 3.34Å |
| 367 | T | 89.8 | Confident | 88.6 | Confident | 89 Ų | 89 | 105.4 Ų | 105.4 | 55% | 0.546 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 174.9 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | V363 I364 E365 R371 | V363-T367 WeakPolarHBondContact O-CB 3.34Å; V363-T367 PolarHBondContact O-N 3.48Å; V363-T367 PolarHBondContact O-OG1 2.95Å; I364-T367 PolarHBondContact O-N 2.9Å; E365-T367 VanDerWaalsContact C-N 3.28Å; E365-T367 PolarHBondContact O-N 3.21Å; T367-R371 PolarHBondContact O-N 2.84Å; T367-R371 VanDerWaalsContact O-N 3.08Å |
| 368 | S | 89.9 | Confident | 88.6 | Confident | 51 Ų | 51 | 104.7 Ų | 104.7 | 36% | 0.357 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 175 | 67 | 0 | 0 | 0 | 0 | 112.3 | I364 E365 S370 R371 E372 | I364-S368 PolarHBondContact O-N 2.85Å; E365-S368 WeakPolarHBondContact CA-OG 3.39Å; E365-S368 PolarHBondContact O-N 3.31Å; E365-S368 VanDerWaalsContact O-N 3.12Å; E365-S368 PolarHBondContact O-OG 3.27Å; S368-S370 VanDerWaalsContact C-N 3.34Å; S368-S370 PolarHBondContact O-N 3.19Å; S368-R371 WeakPolarHBondContact O-CB 3.47Å; S368-R371 PolarHBondContact O-N 2.92Å; S368-R371 VanDerWaalsContact O-N 3.09Å; S368-E372 WeakPolarHBondContact O-CG 3.15Å; S368-E372 PolarHBondContact O-N 3.33Å |
| 369 | R | 88.8 | Confident | 88.6 | Confident | 145 Ų | 145 | 107.7 Ų | 107.7 | 55% | 0.547 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.9 | -38.9 | 176 | -68.6 | -177.7 | -173.1 | -160 | 2.9 | 112.4 | E365 L366 R371 E372 S373 | E365-R369 WeakPolarHBondContact O-CG 3.43Å; E365-R369 PolarHBondContact O-N 3.34Å; E365-R369 IonicContact OE1-CZ 3.23Å; E365-R369 IonicContact OE1-NE 2.68Å; E365-R369 PolarHBondContact OE1-NE 3.24Å; E365-R369 IonicContact OE1-NH2 2.99Å; E365-R369 PolarHBondContact OE1-NH2 3.07Å; L366-R369 PolarHBondContact O-N 2.75Å; R369-R371 VanDerWaalsContact C-N 3.33Å; R369-E372 PolarHBondContact O-N 2.81Å; R369-S373 VanDerWaalsContact O-CB 3.32Å; R369-S373 WeakPolarHBondContact O-CB 3.35Å; R369-S373 PolarHBondContact O-N 3.23Å |
| 370 | S | 87.2 | Confident | 88.4 | Confident | 82 Ų | 82 | 107.8 Ų | 107.8 | 57% | 0.573 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.4 | -39.4 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | L366 S368 S374 | L366-S370 VanDerWaalsContact O-CB 3.3Å; L366-S370 WeakPolarHBondContact O-CB 3.46Å; L366-S370 PolarHBondContact O-N 3.34Å; S368-S370 VanDerWaalsContact C-N 3.34Å; S368-S370 PolarHBondContact O-N 3.19Å; S370-S374 WeakPolarHBondContact O-CB 3.21Å; S370-S374 PolarHBondContact O-N 3.38Å |
| 371 | R | 90.6 | Very high | 88.3 | Confident | 187 Ų | 187 | 104.8 Ų | 104.8 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.1 | -41.9 | 176 | -169.5 | 174.9 | -172.9 | 166.2 | -0.2 | 112.4 | T367 S368 R369 S374 N375 | T367-R371 PolarHBondContact O-N 2.84Å; T367-R371 VanDerWaalsContact O-N 3.08Å; S368-R371 WeakPolarHBondContact O-CB 3.47Å; S368-R371 PolarHBondContact O-N 2.92Å; S368-R371 VanDerWaalsContact O-N 3.09Å; R369-R371 VanDerWaalsContact C-N 3.33Å; R371-S374 PolarHBondContact O-N 3.37Å; R371-N375 VanDerWaalsContact O-CG 3.29Å; R371-N375 PolarHBondContact O-N 3.4Å; R371-N375 PolarHBondContact O-ND2 2.86Å |
| 372 | E | 88.4 | Confident | 88.1 | Confident | 119 Ų | 119 | 99.3 Ų | 99.3 | 56% | 0.556 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.7 | -47.5 | 174.3 | -72.7 | 166.8 | -171.7 | 0 | 0 | 111.2 | S368 R369 S374 N375 S376 | S368-E372 WeakPolarHBondContact O-CG 3.15Å; S368-E372 PolarHBondContact O-N 3.33Å; R369-E372 PolarHBondContact O-N 2.81Å; E372-S374 VanDerWaalsContact C-N 3.3Å; E372-S374 PolarHBondContact O-N 3.36Å; E372-N375 WeakPolarHBondContact O-CB 3.37Å; E372-N375 PolarHBondContact O-N 2.88Å; E372-N375 VanDerWaalsContact O-N 3.07Å; E372-S376 PolarHBondContact O-N 3.45Å; E372-S376 PolarHBondContact O-OG 3.03Å |
| 373 | S | 84.7 | Confident | 88 | Confident | 82 Ų | 82 | 99.1 Ų | 99.1 | 57% | 0.573 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.2 | -41.2 | 175.4 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | R369 N375 S376 L377 | R369-S373 VanDerWaalsContact O-CB 3.32Å; R369-S373 WeakPolarHBondContact O-CB 3.35Å; R369-S373 PolarHBondContact O-N 3.23Å; S373-N375 PolarHBondContact O-N 3.27Å; S373-S376 PolarHBondContact O-N 3.47Å; S373-L377 WeakPolarHBondContact O-CB 3.47Å; S373-L377 PolarHBondContact O-N 2.94Å |
| 374 | S | 86.8 | Confident | 87.8 | Confident | 73 Ų | 73 | 99 Ų | 99 | 51% | 0.51 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.8 | -36.6 | 174.9 | -173.3 | 0 | 0 | 0 | 0 | 113 | S370 R371 E372 S378 | S370-S374 WeakPolarHBondContact O-CB 3.21Å; S370-S374 PolarHBondContact O-N 3.38Å; R371-S374 PolarHBondContact O-N 3.37Å; E372-S374 VanDerWaalsContact C-N 3.3Å; E372-S374 PolarHBondContact O-N 3.36Å; S374-S378 PolarHBondContact O-N 2.9Å; S374-S378 VanDerWaalsContact O-N 3.1Å |
| 375 | N | 88.9 | Confident | 87.6 | Confident | 98 Ų | 98 | 97.2 Ų | 97.2 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.2 | -42.6 | 176.6 | -69.7 | -19.8 | 0 | 0 | 0 | 111.2 | R371 E372 S373 L377 S378 L379 | R371-N375 VanDerWaalsContact O-CG 3.29Å; R371-N375 PolarHBondContact O-N 3.4Å; R371-N375 PolarHBondContact O-ND2 2.86Å; E372-N375 WeakPolarHBondContact O-CB 3.37Å; E372-N375 PolarHBondContact O-N 2.88Å; E372-N375 VanDerWaalsContact O-N 3.07Å; S373-N375 PolarHBondContact O-N 3.27Å; N375-L377 VanDerWaalsContact C-N 3.3Å; N375-L377 PolarHBondContact O-N 3.34Å; N375-S378 WeakPolarHBondContact O-CB 3.23Å; N375-S378 PolarHBondContact O-N 3.29Å; N375-S378 VanDerWaalsContact O-N 3.16Å; N375-L379 PolarHBondContact O-N 3.07Å |
| 376 | S | 86.2 | Confident | 87.5 | Confident | 79 Ų | 79 | 101.6 Ų | 101.6 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.9 | -40.1 | 175.1 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | E372 S373 L379 A380 | E372-S376 PolarHBondContact O-N 3.45Å; E372-S376 PolarHBondContact O-OG 3.03Å; S373-S376 PolarHBondContact O-N 3.47Å; S376-L379 PolarHBondContact O-N 3Å; S376-A380 WeakPolarHBondContact O-CB 3.36Å; S376-A380 PolarHBondContact O-N 3.33Å |
| 377 | L | 87.1 | Confident | 87.3 | Confident | 116 Ų | 116 | 98.2 Ų | 98.2 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63 | -41.3 | 174 | -174.6 | 65.7 | 0 | 0 | 0 | 111.9 | S373 N375 L379 A380 Q381 | S373-L377 WeakPolarHBondContact O-CB 3.47Å; S373-L377 PolarHBondContact O-N 2.94Å; N375-L377 VanDerWaalsContact C-N 3.3Å; N375-L377 PolarHBondContact O-N 3.34Å; L377-L379 VanDerWaalsContact C-N 3.35Å; L377-L379 PolarHBondContact O-N 3.47Å; L377-A380 PolarHBondContact O-N 3.49Å; L377-Q381 WeakPolarHBondContact O-CB 3.27Å; L377-Q381 PolarHBondContact O-N 3.17Å |
| 378 | S | 89 | Confident | 86.9 | Confident | 82 Ų | 82 | 97.7 Ų | 97.7 | 57% | 0.573 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.7 | -36.8 | 176 | -174.6 | 0 | 0 | 0 | 0 | 112.8 | S374 N375 S382 | S374-S378 PolarHBondContact O-N 2.9Å; S374-S378 VanDerWaalsContact O-N 3.1Å; N375-S378 WeakPolarHBondContact O-CB 3.23Å; N375-S378 PolarHBondContact O-N 3.29Å; N375-S378 VanDerWaalsContact O-N 3.16Å; S378-S382 PolarHBondContact O-N 3.35Å |
| 379 | L | 88.3 | Confident | 86.7 | Confident | 109 Ų | 109 | 99.4 Ų | 99.4 | 57% | 0.571 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.5 | -48.4 | 176.1 | -165.8 | 89.7 | 0 | 0 | 0 | 110.5 | N375 S376 L377 Q381 S382 E383 | N375-L379 PolarHBondContact O-N 3.07Å; S376-L379 PolarHBondContact O-N 3Å; L377-L379 VanDerWaalsContact C-N 3.35Å; L377-L379 PolarHBondContact O-N 3.47Å; L379-Q381 VanDerWaalsContact C-N 3.27Å; L379-Q381 PolarHBondContact O-N 2.84Å; L379-S382 WeakPolarHBondContact O-CA 3.33Å; L379-S382 WeakPolarHBondContact O-CB 3.26Å; L379-S382 PolarHBondContact O-N 2.94Å; L379-E383 PolarHBondContact O-N 3.15Å |
| 380 | A | 85.2 | Confident | 86.6 | Confident | 50 Ų | 50 | 97.3 Ų | 97.3 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | S376 L377 S382 E383 L384 | S376-A380 WeakPolarHBondContact O-CB 3.36Å; S376-A380 PolarHBondContact O-N 3.33Å; L377-A380 PolarHBondContact O-N 3.49Å; A380-S382 VanDerWaalsContact C-N 3.34Å; A380-S382 PolarHBondContact O-N 3.29Å; A380-E383 PolarHBondContact O-N 3.26Å; A380-L384 WeakPolarHBondContact O-CB 3.36Å; A380-L384 PolarHBondContact O-N 2.81Å |
| 381 | Q | 87.2 | Confident | 86.2 | Confident | 103 Ų | 103 | 98.2 Ų | 98.2 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 174.3 | -163.5 | 74.5 | 21.6 | 0 | 0 | 112 | L377 L379 N385 | L377-Q381 WeakPolarHBondContact O-CB 3.27Å; L377-Q381 PolarHBondContact O-N 3.17Å; L379-Q381 VanDerWaalsContact C-N 3.27Å; L379-Q381 PolarHBondContact O-N 2.84Å; Q381-N385 VanDerWaalsContact O-CG 3.26Å; Q381-N385 PolarHBondContact O-N 3.48Å; Q381-N385 PolarHBondContact O-ND2 3.03Å |
| 382 | S | 87.4 | Confident | 85.8 | Confident | 75 Ų | 75 | 94.6 Ų | 94.6 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.1 | -38.2 | 176.2 | -174.4 | 0 | 0 | 0 | 0 | 112.5 | S378 L379 A380 N385 R386 | S378-S382 PolarHBondContact O-N 3.35Å; L379-S382 WeakPolarHBondContact O-CA 3.33Å; L379-S382 WeakPolarHBondContact O-CB 3.26Å; L379-S382 PolarHBondContact O-N 2.94Å; A380-S382 VanDerWaalsContact C-N 3.34Å; A380-S382 PolarHBondContact O-N 3.29Å; S382-N385 PolarHBondContact O-N 3.01Å; S382-R386 PolarHBondContact O-N 3.23Å |
| 383 | E | 86.9 | Confident | 85.5 | Confident | 121 Ų | 121 | 95.2 Ų | 95.2 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.2 | -40.9 | 175.2 | -71.8 | 178.6 | 170.9 | 0 | 0 | 111.4 | L379 A380 N385 R386 A387 | L379-E383 PolarHBondContact O-N 3.15Å; A380-E383 PolarHBondContact O-N 3.26Å; E383-N385 PolarHBondContact O-N 3.11Å; E383-R386 PolarHBondContact O-N 2.93Å; E383-A387 WeakPolarHBondContact O-CB 3.46Å; E383-A387 PolarHBondContact O-N 2.86Å |
| 384 | L | 84.7 | Confident | 85.1 | Confident | 89 Ų | 89 | 95.8 Ų | 95.8 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 173.6 | -177.4 | 66.2 | 0 | 0 | 0 | 111.6 | A380 R386 A387 N388 | A380-L384 WeakPolarHBondContact O-CB 3.36Å; A380-L384 PolarHBondContact O-N 2.81Å; L384-R386 PolarHBondContact O-N 2.94Å; L384-A387 PolarHBondContact O-N 2.85Å; L384-N388 VanDerWaalsContact O-CG 3.32Å; L384-N388 PolarHBondContact O-N 3.21Å; L384-N388 PolarHBondContact O-ND2 3.11Å |
| 385 | N | 87.4 | Confident | 84.8 | Confident | 83 Ų | 83 | 95.3 Ų | 95.3 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.9 | -71.5 | -16.6 | 0 | 0 | 0 | 111.7 | Q381 S382 E383 A387 N388 D389 | Q381-N385 VanDerWaalsContact O-CG 3.26Å; Q381-N385 PolarHBondContact O-N 3.48Å; Q381-N385 PolarHBondContact O-ND2 3.03Å; S382-N385 PolarHBondContact O-N 3.01Å; E383-N385 PolarHBondContact O-N 3.11Å; N385-A387 VanDerWaalsContact C-N 3.34Å; N385-A387 PolarHBondContact O-N 3.1Å; N385-N388 PolarHBondContact O-N 3.32Å; N385-D389 PolarHBondContact O-N 3.45Å |
| 386 | R | 86.7 | Confident | 84.7 | Confident | 187 Ų | 187 | 97.1 Ų | 97.1 | 71% | 0.706 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.3 | -38.8 | 176.6 | -174.3 | -178.4 | 175.8 | 115 | -0.9 | 112.3 | S382 E383 L384 Q390 | S382-R386 PolarHBondContact O-N 3.23Å; E383-R386 PolarHBondContact O-N 2.93Å; L384-R386 PolarHBondContact O-N 2.94Å; R386-Q390 PolarHBondContact O-N 2.65Å; R386-Q390 VanDerWaalsContact O-N 3.14Å |
| 387 | A | 82.5 | Confident | 84.6 | Confident | 42 Ų | 42 | 99.1 Ų | 99.1 | 35% | 0.347 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E383 L384 N385 D389 Q390 I391 | E383-A387 WeakPolarHBondContact O-CB 3.46Å; E383-A387 PolarHBondContact O-N 2.86Å; L384-A387 PolarHBondContact O-N 2.85Å; N385-A387 VanDerWaalsContact C-N 3.34Å; N385-A387 PolarHBondContact O-N 3.1Å; A387-D389 PolarHBondContact O-N 3.37Å; A387-Q390 WeakPolarHBondContact O-CB 3.39Å; A387-Q390 PolarHBondContact O-N 2.88Å; A387-Q390 VanDerWaalsContact O-N 3.16Å; A387-I391 WeakPolarHBondContact O-CG1 3.43Å; A387-I391 PolarHBondContact O-N 3.36Å |
| 388 | N | 80.9 | Confident | 83.9 | Confident | 78 Ų | 78 | 98.6 Ų | 98.6 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 174.6 | -73.4 | -27.2 | 0 | 0 | 0 | 111.9 | L384 N385 Q390 I391 E392 | L384-N388 VanDerWaalsContact O-CG 3.32Å; L384-N388 PolarHBondContact O-N 3.21Å; L384-N388 PolarHBondContact O-ND2 3.11Å; N385-N388 PolarHBondContact O-N 3.32Å; N388-Q390 VanDerWaalsContact C-N 3.26Å; N388-Q390 PolarHBondContact O-N 3.4Å; N388-I391 PolarHBondContact O-N 2.97Å; N388-E392 PolarHBondContact O-N 3.41Å |
| 389 | D | 86.5 | Confident | 83.7 | Confident | 87 Ų | 87 | 102.7 Ų | 102.7 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -35 | 175.2 | -68.1 | -16.4 | 0 | 0 | 0 | 112.1 | N385 A387 R393 | N385-D389 PolarHBondContact O-N 3.45Å; A387-D389 PolarHBondContact O-N 3.37Å; D389-R393 WeakPolarHBondContact O-CG 3.48Å; D389-R393 PolarHBondContact O-N 2.9Å; D389-R393 VanDerWaalsContact O-N 3.14Å; D389-R393 PolarHBondContact O-NH1 2.99Å |
| 390 | Q | 86.1 | Confident | 83.4 | Confident | 102 Ų | 102 | 102.1 Ų | 102.1 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.2 | -41.1 | 176.4 | -174.9 | 172.6 | -6.8 | 0 | 0 | 111.9 | R386 A387 N388 E392 R393 L394 | R386-Q390 PolarHBondContact O-N 2.65Å; R386-Q390 VanDerWaalsContact O-N 3.14Å; A387-Q390 WeakPolarHBondContact O-CB 3.39Å; A387-Q390 PolarHBondContact O-N 2.88Å; A387-Q390 VanDerWaalsContact O-N 3.16Å; N388-Q390 VanDerWaalsContact C-N 3.26Å; N388-Q390 PolarHBondContact O-N 3.4Å; Q390-E392 VanDerWaalsContact C-N 3.33Å; Q390-R393 PolarHBondContact O-N 3.38Å; Q390-L394 HydrophobicContact CG-CD1 4.24Å; Q390-L394 WeakPolarHBondContact O-CG 3.27Å; Q390-L394 PolarHBondContact O-N 3.43Å |
| 391 | I | 79.2 | Confident | 83.1 | Confident | 100 Ų | 100 | 103.2 Ų | 103.2 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 173.1 | -69.9 | 166.9 | 0 | 0 | 0 | 109.7 | A387 N388 R393 L394 T395 | A387-I391 WeakPolarHBondContact O-CG1 3.43Å; A387-I391 PolarHBondContact O-N 3.36Å; N388-I391 PolarHBondContact O-N 2.97Å; I391-R393 VanDerWaalsContact C-N 3.35Å; I391-R393 PolarHBondContact O-N 2.8Å; I391-L394 PolarHBondContact O-N 2.87Å; I391-T395 WeakPolarHBondContact O-CB 3.3Å; I391-T395 PolarHBondContact O-N 2.88Å; I391-T395 PolarHBondContact O-OG1 2.65Å |
| 392 | E | 82.5 | Confident | 82.7 | Confident | 112 Ų | 112 | 102.8 Ų | 102.8 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 179.6 | -158.8 | -167.7 | 145.3 | 0 | 0 | 112.1 | N388 Q390 T395 R396 | N388-E392 PolarHBondContact O-N 3.41Å; Q390-E392 VanDerWaalsContact C-N 3.33Å; E392-T395 PolarHBondContact O-N 3.4Å; E392-R396 PolarHBondContact O-N 2.97Å; E392-R396 VanDerWaalsContact O-N 3.08Å; E392-R396 IonicContact OE1-NH2 3.75Å; E392-R396 PolarHBondContact OE1-NH2 3.25Å |
| 393 | R | 81.3 | Confident | 82.5 | Confident | 131 Ų | 131 | 104.4 Ų | 104.4 | 49% | 0.494 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -50.1 | 172.9 | -75.9 | -171.3 | -63.7 | -86.1 | -0.4 | 112.2 | D389 Q390 I391 T395 R396 E397 | D389-R393 WeakPolarHBondContact O-CG 3.48Å; D389-R393 PolarHBondContact O-N 2.9Å; D389-R393 VanDerWaalsContact O-N 3.14Å; D389-R393 PolarHBondContact O-NH1 2.99Å; Q390-R393 PolarHBondContact O-N 3.38Å; I391-R393 VanDerWaalsContact C-N 3.35Å; I391-R393 PolarHBondContact O-N 2.8Å; R393-T395 VanDerWaalsContact C-N 3.3Å; R393-T395 PolarHBondContact O-N 3.02Å; R393-R396 WeakPolarHBondContact O-CB 3.5Å; R393-R396 PolarHBondContact O-N 3.43Å; R393-R396 VanDerWaalsContact O-N 3.15Å; R393-E397 PolarHBondContact O-N 3.5Å |
| 394 | L | 77.3 | Confident | 82.2 | Confident | 94 Ų | 94 | 105.7 Ų | 105.7 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 179.3 | -70.5 | 172.4 | 0 | 0 | 0 | 112.2 | Q390 I391 R396 E397 L398 | Q390-L394 HydrophobicContact CG-CD1 4.24Å; Q390-L394 WeakPolarHBondContact O-CG 3.27Å; Q390-L394 PolarHBondContact O-N 3.43Å; I391-L394 PolarHBondContact O-N 2.87Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 3.45Å; L394-E397 PolarHBondContact O-N 3Å; L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 PolarHBondContact O-N 3.43Å |
| 395 | T | 80.3 | Confident | 81.9 | Confident | 64 Ų | 64 | 106.1 Ų | 106.1 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -35.3 | 176.5 | -48 | 0 | 0 | 0 | 0 | 111.2 | I391 E392 R393 R399 | I391-T395 WeakPolarHBondContact O-CB 3.3Å; I391-T395 PolarHBondContact O-N 2.88Å; I391-T395 PolarHBondContact O-OG1 2.65Å; E392-T395 PolarHBondContact O-N 3.4Å; R393-T395 VanDerWaalsContact C-N 3.3Å; R393-T395 PolarHBondContact O-N 3.02Å; T395-R399 WeakPolarHBondContact O-CB 3.47Å; T395-R399 PolarHBondContact O-N 3.43Å; T395-R399 VanDerWaalsContact O-N 3.11Å |
| 396 | R | 85.1 | Confident | 81.4 | Confident | 136 Ų | 136 | 104 Ų | 104 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -46.2 | 174.5 | -167.6 | -179.3 | -55.3 | -127.4 | -1.2 | 111.8 | E392 R393 L394 L398 R399 E400 | E392-R396 PolarHBondContact O-N 2.97Å; E392-R396 VanDerWaalsContact O-N 3.08Å; E392-R396 IonicContact OE1-NH2 3.75Å; E392-R396 PolarHBondContact OE1-NH2 3.25Å; R393-R396 WeakPolarHBondContact O-CB 3.5Å; R393-R396 PolarHBondContact O-N 3.43Å; R393-R396 VanDerWaalsContact O-N 3.15Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 3.45Å; R396-L398 PolarHBondContact O-N 3.3Å; R396-R399 PolarHBondContact O-N 2.89Å; R396-E400 WeakPolarHBondContact O-CG 3.45Å; R396-E400 PolarHBondContact O-N 3.06Å |
| 397 | E | 84.1 | Confident | 81.2 | Confident | 120 Ų | 120 | 99.1 Ų | 99.1 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.3 | -41 | 176.3 | -72.2 | 175.4 | -170 | 0 | 0 | 112.1 | R393 L394 E400 S401 | R393-E397 PolarHBondContact O-N 3.5Å; L394-E397 PolarHBondContact O-N 3Å; E397-E400 PolarHBondContact O-N 3.13Å; E397-S401 WeakPolarHBondContact O-CB 3.42Å; E397-S401 PolarHBondContact O-N 3.32Å |
| 398 | L | 73.9 | Confident | 80.9 | Confident | 105 Ų | 105 | 103.6 Ų | 103.6 | 55% | 0.55 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 174.3 | -173.8 | 71.6 | 0 | 0 | 0 | 111.2 | L394 R396 E400 S401 E402 | L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 PolarHBondContact O-N 3.43Å; R396-L398 PolarHBondContact O-N 3.3Å; L398-E400 PolarHBondContact O-N 3.48Å; L398-S401 PolarHBondContact O-N 3.4Å; L398-E402 WeakPolarHBondContact O-CG 3.48Å; L398-E402 PolarHBondContact O-N 2.71Å |
| 399 | R | 83.7 | Confident | 81.1 | Confident | 168 Ų | 168 | 102.6 Ų | 102.6 | 63% | 0.634 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.4 | -41.5 | 177.6 | -169.9 | -175.3 | -63.9 | 150.2 | -0.7 | 112.2 | T395 R396 E402 Q403 | T395-R399 WeakPolarHBondContact O-CB 3.47Å; T395-R399 PolarHBondContact O-N 3.43Å; T395-R399 VanDerWaalsContact O-N 3.11Å; R396-R399 PolarHBondContact O-N 2.89Å; R399-E402 PolarHBondContact O-N 2.79Å; R399-Q403 PolarHBondContact O-N 2.78Å |
| 400 | E | 83.3 | Confident | 80.8 | Confident | 97 Ų | 97 | 100.7 Ų | 100.7 | 45% | 0.453 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 175.1 | -71.2 | -179.1 | -162.8 | 0 | 0 | 112.5 | R396 E397 L398 Q403 R404 | R396-E400 WeakPolarHBondContact O-CG 3.45Å; R396-E400 PolarHBondContact O-N 3.06Å; E397-E400 PolarHBondContact O-N 3.13Å; L398-E400 PolarHBondContact O-N 3.48Å; E400-Q403 PolarHBondContact O-N 2.76Å; E400-R404 WeakPolarHBondContact O-CG 3.38Å; E400-R404 PolarHBondContact O-N 3.42Å; E400-R404 VanDerWaalsContact O-N 3.09Å; E400-R404 IonicContact OE2-NH1 3.62Å; E400-R404 IonicContact OE2-NH2 3.47Å |
| 401 | S | 78.7 | Confident | 80.6 | Confident | 73 Ų | 73 | 100.6 Ų | 100.6 | 51% | 0.51 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 175 | -171.9 | 0 | 0 | 0 | 0 | 111.9 | E397 L398 R404 R405 | E397-S401 WeakPolarHBondContact O-CB 3.42Å; E397-S401 PolarHBondContact O-N 3.32Å; L398-S401 PolarHBondContact O-N 3.4Å; S401-R404 PolarHBondContact O-N 3.27Å; S401-R405 PolarHBondContact O-N 2.9Å; S401-R405 VanDerWaalsContact O-N 3.09Å |
| 402 | E | 78.7 | Confident | 80.5 | Confident | 94 Ų | 94 | 97.9 Ų | 97.9 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 174.5 | -77.2 | 176 | 164.8 | 0 | 0 | 111.5 | L398 R399 R404 R405 T406 | L398-E402 WeakPolarHBondContact O-CG 3.48Å; L398-E402 PolarHBondContact O-N 2.71Å; R399-E402 PolarHBondContact O-N 2.79Å; E402-R404 PolarHBondContact O-N 2.95Å; E402-R405 WeakPolarHBondContact O-CB 3.34Å; E402-R405 PolarHBondContact O-N 3.41Å; E402-R405 VanDerWaalsContact O-N 3.15Å; E402-T406 WeakPolarHBondContact O-CG2 3.41Å; E402-T406 PolarHBondContact O-N 3.49Å; E402-T406 PolarHBondContact O-OG1 3.13Å |
| 403 | Q | 83.6 | Confident | 80.5 | Confident | 110 Ų | 110 | 94.2 Ų | 94.2 | 51% | 0.514 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 175.8 | -174.3 | 63.8 | 39.8 | 0 | 0 | 112.1 | R399 E400 R405 T406 D407 | R399-Q403 PolarHBondContact O-N 2.78Å; E400-Q403 PolarHBondContact O-N 2.76Å; Q403-R405 VanDerWaalsContact C-N 3.3Å; Q403-R405 PolarHBondContact O-N 3.16Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.4Å; Q403-T406 PolarHBondContact O-N 3.4Å; Q403-T406 PolarHBondContact O-OG1 2.87Å; Q403-D407 PolarHBondContact NE2-OD1 2.93Å; Q403-D407 VanDerWaalsContact NE2-OD1 3.1Å; Q403-D407 VanDerWaalsContact O-CG 3.25Å; Q403-D407 PolarHBondContact O-N 2.89Å |
| 404 | R | 80.1 | Confident | 80.7 | Confident | 147 Ų | 147 | 89.8 Ų | 89.8 | 56% | 0.555 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.8 | -39.4 | 175.2 | -73.2 | -176.4 | -174.6 | 94.3 | 0.4 | 112 | E400 S401 E402 D407 Q408 | E400-R404 WeakPolarHBondContact O-CG 3.38Å; E400-R404 PolarHBondContact O-N 3.42Å; E400-R404 VanDerWaalsContact O-N 3.09Å; E400-R404 IonicContact OE2-NH1 3.62Å; E400-R404 IonicContact OE2-NH2 3.47Å; S401-R404 PolarHBondContact O-N 3.27Å; E402-R404 PolarHBondContact O-N 2.95Å; R404-D407 PolarHBondContact O-N 3.37Å; R404-Q408 WeakPolarHBondContact O-CG 3.25Å; R404-Q408 PolarHBondContact O-N 3.45Å |
| 405 | R | 77.7 | Confident | 80.6 | Confident | 99 Ų | 99 | 90 Ų | 90 | 37% | 0.374 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 177.2 | -170.8 | -178 | 62 | 94.4 | 2.5 | 111.8 | S401 E402 Q403 D407 Q408 E409 P1597 | S401-R405 PolarHBondContact O-N 2.9Å; S401-R405 VanDerWaalsContact O-N 3.09Å; E402-R405 WeakPolarHBondContact O-CB 3.34Å; E402-R405 PolarHBondContact O-N 3.41Å; E402-R405 VanDerWaalsContact O-N 3.15Å; Q403-R405 VanDerWaalsContact C-N 3.3Å; Q403-R405 PolarHBondContact O-N 3.16Å; R405-D407 VanDerWaalsContact C-N 3.31Å; R405-D407 PolarHBondContact O-N 2.99Å; R405-Q408 PolarHBondContact O-N 3.27Å; R405-E409 IonicContact CZ-OE1 3.66Å; R405-E409 IonicContact NH1-OE1 3.13Å; R405-E409 PolarHBondContact NH1-OE1 3.45Å; R405-E409 IonicContact NH1-OE2 3.95Å; R405-E409 WeakPolarHBondContact O-CB 3.45Å; R405-E409 WeakPolarHBondContact O-CG 3.47Å; R405-E409 PolarHBondContact O-N 3.37Å; R405-P1597 VanDerWaalsContact CZ-CG 3.44Å |
| 406 | T | 76.6 | Confident | 80.7 | Confident | 38 Ų | 38 | 91.7 Ų | 91.7 | 23% | 0.233 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 176.2 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | E402 Q403 S410 | E402-T406 WeakPolarHBondContact O-CG2 3.41Å; E402-T406 PolarHBondContact O-N 3.49Å; E402-T406 PolarHBondContact O-OG1 3.13Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.4Å; Q403-T406 PolarHBondContact O-N 3.4Å; Q403-T406 PolarHBondContact O-OG1 2.87Å; T406-S410 WeakPolarHBondContact O-CB 3.46Å; T406-S410 PolarHBondContact O-N 2.93Å |
| 407 | D | 83.8 | Confident | 80.5 | Confident | 85 Ų | 85 | 89.6 Ų | 89.6 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 176.8 | -66.3 | -14 | 0 | 0 | 0 | 110.7 | Q403 R404 R405 S410 L411 | Q403-D407 PolarHBondContact NE2-OD1 2.93Å; Q403-D407 VanDerWaalsContact NE2-OD1 3.1Å; Q403-D407 VanDerWaalsContact O-CG 3.25Å; Q403-D407 PolarHBondContact O-N 2.89Å; R404-D407 PolarHBondContact O-N 3.37Å; R405-D407 VanDerWaalsContact C-N 3.31Å; R405-D407 PolarHBondContact O-N 2.99Å; D407-S410 PolarHBondContact O-N 3.42Å; D407-S410 PolarHBondContact O-OG 3.35Å; D407-L411 PolarHBondContact O-N 2.79Å |
| 408 | Q | 75.9 | Confident | 80.4 | Confident | 136 Ų | 136 | 91.1 Ų | 91.1 | 64% | 0.636 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.7 | -43.2 | 174.7 | -74.6 | 177.7 | -5.9 | 0 | 0 | 112.8 | R404 R405 S410 L411 A412 | R404-Q408 WeakPolarHBondContact O-CG 3.25Å; R404-Q408 PolarHBondContact O-N 3.45Å; R405-Q408 PolarHBondContact O-N 3.27Å; Q408-S410 VanDerWaalsContact C-N 3.34Å; Q408-S410 PolarHBondContact O-N 3.45Å; Q408-L411 PolarHBondContact O-N 3.04Å; Q408-A412 PolarHBondContact O-N 3.48Å |
| 409 | E | 84.7 | Confident | 80.7 | Confident | 56 Ų | 56 | 93.5 Ų | 93.5 | 26% | 0.262 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 175.6 | -75.9 | 169.3 | -178.4 | 0 | 0 | 111.3 | R405 L411 A412 T413 P1597 | R405-E409 IonicContact CZ-OE1 3.66Å; R405-E409 IonicContact NH1-OE1 3.13Å; R405-E409 PolarHBondContact NH1-OE1 3.45Å; R405-E409 IonicContact NH1-OE2 3.95Å; R405-E409 WeakPolarHBondContact O-CB 3.45Å; R405-E409 WeakPolarHBondContact O-CG 3.47Å; R405-E409 PolarHBondContact O-N 3.37Å; E409-L411 VanDerWaalsContact C-N 3.29Å; E409-L411 PolarHBondContact O-N 2.95Å; E409-A412 PolarHBondContact O-N 3.23Å; E409-T413 PolarHBondContact O-N 2.95Å; E409-T413 PolarHBondContact O-OG1 2.74Å; E409-P1597 WeakPolarHBondContact OE2-CD 3.45Å; E409-P1597 WeakPolarHBondContact OE2-CG 3.39Å |
| 410 | S | 79.7 | Confident | 80.6 | Confident | 47 Ų | 47 | 89.4 Ų | 89.4 | 33% | 0.329 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.8 | -36.4 | 175.6 | 81.7 | 0 | 0 | 0 | 0 | 112.9 | T406 D407 Q408 S414 | T406-S410 WeakPolarHBondContact O-CB 3.46Å; T406-S410 PolarHBondContact O-N 2.93Å; D407-S410 PolarHBondContact O-N 3.42Å; D407-S410 PolarHBondContact O-OG 3.35Å; Q408-S410 VanDerWaalsContact C-N 3.34Å; Q408-S410 PolarHBondContact O-N 3.45Å; S410-S414 WeakPolarHBondContact O-CB 3.31Å; S410-S414 PolarHBondContact O-N 2.92Å; S410-S414 VanDerWaalsContact O-N 3.13Å |
| 411 | L | 82.5 | Confident | 80.6 | Confident | 101 Ų | 101 | 87.7 Ų | 87.7 | 53% | 0.529 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.2 | -42.8 | 175.1 | -178.8 | 63.2 | 0 | 0 | 0 | 111.3 | D407 Q408 E409 S414 L415 | D407-L411 PolarHBondContact O-N 2.79Å; Q408-L411 PolarHBondContact O-N 3.04Å; E409-L411 VanDerWaalsContact C-N 3.29Å; E409-L411 PolarHBondContact O-N 2.95Å; L411-S414 PolarHBondContact O-N 3.37Å; L411-L415 HydrophobicContact CG-CD1 4.37Å; L411-L415 WeakPolarHBondContact O-CG 3.42Å; L411-L415 PolarHBondContact O-N 2.88Å |
| 412 | A | 77.1 | Confident | 80.8 | Confident | 43 Ų | 43 | 86.7 Ų | 86.7 | 36% | 0.355 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q408 E409 S414 L415 E416 | Q408-A412 PolarHBondContact O-N 3.48Å; E409-A412 PolarHBondContact O-N 3.23Å; A412-S414 VanDerWaalsContact C-N 3.27Å; A412-S414 PolarHBondContact O-N 3.03Å; A412-L415 PolarHBondContact O-N 3.43Å; A412-L415 VanDerWaalsContact O-N 3.09Å; A412-E416 WeakPolarHBondContact O-CG 3.36Å; A412-E416 PolarHBondContact O-N 2.81Å |
| 413 | T | 82.5 | Confident | 80.7 | Confident | 34 Ų | 34 | 86.2 Ų | 86.2 | 21% | 0.209 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.2 | -36 | 176.5 | -47.6 | 0 | 0 | 0 | 0 | 111.9 | E409 Q417 A1592 | E409-T413 PolarHBondContact O-N 2.95Å; E409-T413 PolarHBondContact O-OG1 2.74Å; T413-Q417 WeakPolarHBondContact O-CB 3.19Å; T413-Q417 VanDerWaalsContact O-CG 3.29Å; T413-Q417 WeakPolarHBondContact O-CG 3.44Å; T413-Q417 PolarHBondContact O-N 2.96Å; T413-A1592 HydrophobicContact CG2-CB 4.12Å |
| 414 | S | 85.4 | Confident | 80.7 | Confident | 39 Ų | 39 | 86.6 Ų | 86.6 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 175.5 | -178.1 | 0 | 0 | 0 | 0 | 113 | S410 L411 A412 R418 | S410-S414 WeakPolarHBondContact O-CB 3.31Å; S410-S414 PolarHBondContact O-N 2.92Å; S410-S414 VanDerWaalsContact O-N 3.13Å; L411-S414 PolarHBondContact O-N 3.37Å; A412-S414 VanDerWaalsContact C-N 3.27Å; A412-S414 PolarHBondContact O-N 3.03Å; S414-R418 WeakPolarHBondContact O-CG 3.32Å; S414-R418 PolarHBondContact O-N 2.95Å; S414-R418 PolarHBondContact O-NE 3.02Å; S414-R418 PolarHBondContact OG-NH2 2.91Å |
| 415 | L | 74.7 | Confident | 80.8 | Confident | 98 Ų | 98 | 85.4 Ų | 85.4 | 51% | 0.513 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -72.4 | -41.6 | 175.5 | -73.7 | 170.7 | 0 | 0 | 0 | 111.4 | L411 A412 R418 Y419 | L411-L415 HydrophobicContact CG-CD1 4.37Å; L411-L415 WeakPolarHBondContact O-CG 3.42Å; L411-L415 PolarHBondContact O-N 2.88Å; A412-L415 PolarHBondContact O-N 3.43Å; A412-L415 VanDerWaalsContact O-N 3.09Å; L415-R418 PolarHBondContact O-N 3.47Å; L415-Y419 WeakPolarHBondContact O-CB 3.39Å; L415-Y419 PolarHBondContact O-N 3.44Å |
| 416 | E | 82.2 | Confident | 81.1 | Confident | 100 Ų | 100 | 84.9 Ų | 84.9 | 47% | 0.467 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 174.6 | -73 | 172.6 | 179 | 0 | 0 | 111.9 | A412 R418 Y419 L420 | A412-E416 WeakPolarHBondContact O-CG 3.36Å; A412-E416 PolarHBondContact O-N 2.81Å; E416-R418 PolarHBondContact O-N 2.92Å; E416-Y419 PolarHBondContact O-N 2.93Å; E416-L420 WeakPolarHBondContact O-CB 3.48Å; E416-L420 PolarHBondContact O-N 2.93Å |
| 417 | Q | 81.5 | Confident | 81.5 | Confident | 92 Ų | 92 | 87.4 Ų | 87.4 | 43% | 0.43 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 174.8 | -77.5 | 176.5 | -3.8 | 0 | 0 | 111.9 | T413 L420 V421 | T413-Q417 WeakPolarHBondContact O-CB 3.19Å; T413-Q417 VanDerWaalsContact O-CG 3.29Å; T413-Q417 WeakPolarHBondContact O-CG 3.44Å; T413-Q417 PolarHBondContact O-N 2.96Å; Q417-L420 PolarHBondContact O-N 2.96Å; Q417-V421 WeakPolarHBondContact O-CG2 3.26Å; Q417-V421 PolarHBondContact O-N 3.41Å |
| 418 | R | 81.4 | Confident | 81.4 | Confident | 152 Ų | 152 | 87.4 Ų | 87.4 | 57% | 0.574 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | 176.7 | -80.6 | -175.3 | -100.1 | -174.7 | -8.8 | 112.3 | S414 L415 E416 V421 A422 | S414-R418 WeakPolarHBondContact O-CG 3.32Å; S414-R418 PolarHBondContact O-N 2.95Å; S414-R418 PolarHBondContact O-NE 3.02Å; S414-R418 PolarHBondContact OG-NH2 2.91Å; L415-R418 PolarHBondContact O-N 3.47Å; E416-R418 PolarHBondContact O-N 2.92Å; R418-V421 PolarHBondContact O-N 3.37Å; R418-A422 WeakPolarHBondContact O-CB 3.43Å; R418-A422 PolarHBondContact O-N 2.88Å |
| 419 | Y | 80.7 | Confident | 81.4 | Confident | 154 Ų | 154 | 82.5 Ų | 82.5 | 60% | 0.604 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.5 | -43.8 | 175.6 | -179.1 | -95.4 | 0 | 0 | 0 | 111.9 | L415 E416 A422 Q423 | L415-Y419 WeakPolarHBondContact O-CB 3.39Å; L415-Y419 PolarHBondContact O-N 3.44Å; E416-Y419 PolarHBondContact O-N 2.93Å; Y419-A422 PolarHBondContact O-N 3.23Å; Y419-Q423 WeakPolarHBondContact O-CB 3.43Å; Y419-Q423 PolarHBondContact O-N 3.28Å |
| 420 | L | 82.3 | Confident | 81.4 | Confident | 82 Ų | 82 | 82.8 Ų | 82.8 | 43% | 0.429 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 176 | -86 | 156.6 | 0 | 0 | 0 | 112.9 | E416 Q417 Q423 R424 | E416-L420 WeakPolarHBondContact O-CB 3.48Å; E416-L420 PolarHBondContact O-N 2.93Å; Q417-L420 PolarHBondContact O-N 2.96Å; L420-Q423 PolarHBondContact O-N 3.48Å; L420-R424 WeakPolarHBondContact O-CG 3.44Å; L420-R424 PolarHBondContact O-N 3.5Å |
| 421 | V | 82.7 | Confident | 81.6 | Confident | 62 Ų | 62 | 85.1 Ų | 85.1 | 38% | 0.376 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 175.6 | 172 | 0 | 0 | 0 | 0 | 110.4 | Q417 R418 Q423 R424 E425 | Q417-V421 WeakPolarHBondContact O-CG2 3.26Å; Q417-V421 PolarHBondContact O-N 3.41Å; R418-V421 PolarHBondContact O-N 3.37Å; V421-Q423 VanDerWaalsContact C-N 3.28Å; V421-Q423 PolarHBondContact O-N 2.86Å; V421-R424 PolarHBondContact O-N 3.47Å; V421-E425 HydrophobicContact CG1-CG 4.49Å; V421-E425 WeakPolarHBondContact O-CG 3.25Å; V421-E425 PolarHBondContact O-N 3.38Å |
| 422 | A | 82.4 | Confident | 81.5 | Confident | 52 Ų | 52 | 86.2 Ų | 86.2 | 43% | 0.43 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.8 | -37.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R418 Y419 E425 L426 | R418-A422 WeakPolarHBondContact O-CB 3.43Å; R418-A422 PolarHBondContact O-N 2.88Å; Y419-A422 PolarHBondContact O-N 3.23Å; A422-E425 PolarHBondContact O-N 2.87Å; A422-L426 WeakPolarHBondContact O-CB 3.1Å; A422-L426 PolarHBondContact O-N 3.44Å |
| 423 | Q | 78 | Confident | 81.6 | Confident | 83 Ų | 83 | 86.5 Ų | 86.5 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70.8 | -36.2 | 177.6 | -167.7 | 158.3 | 12.2 | 0 | 0 | 112.7 | Y419 L420 V421 L426 N427 | Y419-Q423 WeakPolarHBondContact O-CB 3.43Å; Y419-Q423 PolarHBondContact O-N 3.28Å; L420-Q423 PolarHBondContact O-N 3.48Å; V421-Q423 VanDerWaalsContact C-N 3.28Å; V421-Q423 PolarHBondContact O-N 2.86Å; Q423-L426 PolarHBondContact O-N 3.03Å; Q423-N427 VanDerWaalsContact O-CG 3.29Å; Q423-N427 PolarHBondContact O-N 2.99Å |
| 424 | R | 83.5 | Confident | 81.7 | Confident | 118 Ų | 118 | 87.9 Ų | 87.9 | 45% | 0.445 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 171.8 | -71.4 | 174.7 | -176.6 | 163.5 | 0.2 | 111.4 | L420 V421 L426 N427 T428 D1585 | L420-R424 WeakPolarHBondContact O-CG 3.44Å; L420-R424 PolarHBondContact O-N 3.5Å; V421-R424 PolarHBondContact O-N 3.47Å; R424-L426 VanDerWaalsContact C-N 3.34Å; R424-N427 PolarHBondContact O-N 3.32Å; R424-T428 WeakPolarHBondContact O-CG2 3.42Å; R424-T428 PolarHBondContact O-N 3.47Å; R424-T428 PolarHBondContact O-OG1 3.44Å; R424-D1585 IonicContact CZ-OD1 3.55Å; R424-D1585 IonicContact NH1-OD1 3.28Å; R424-D1585 PolarHBondContact NH1-OD1 2.97Å |
| 425 | E | 81.4 | Confident | 81.6 | Confident | 123 Ų | 123 | 92.7 Ų | 92.7 | 58% | 0.575 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 175.8 | -72.3 | 174.5 | 176.4 | 0 | 0 | 111.3 | V421 A422 T428 A429 | V421-E425 HydrophobicContact CG1-CG 4.49Å; V421-E425 WeakPolarHBondContact O-CG 3.25Å; V421-E425 PolarHBondContact O-N 3.38Å; A422-E425 PolarHBondContact O-N 2.87Å; E425-T428 PolarHBondContact O-N 2.85Å; E425-T428 PolarHBondContact O-OG1 2.79Å; E425-A429 WeakPolarHBondContact O-CB 3.29Å; E425-A429 PolarHBondContact O-N 3.17Å |
| 426 | L | 84.6 | Confident | 81.8 | Confident | 88 Ų | 88 | 93.2 Ų | 93.2 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 174.1 | -177.6 | 64.3 | 0 | 0 | 0 | 112 | A422 Q423 R424 A429 Q430 | A422-L426 WeakPolarHBondContact O-CB 3.1Å; A422-L426 PolarHBondContact O-N 3.44Å; Q423-L426 PolarHBondContact O-N 3.03Å; R424-L426 VanDerWaalsContact C-N 3.34Å; L426-A429 PolarHBondContact O-N 2.89Å; L426-Q430 WeakPolarHBondContact O-CB 3.4Å; L426-Q430 PolarHBondContact O-N 2.89Å |
| 427 | N | 84.6 | Confident | 81.8 | Confident | 91 Ų | 91 | 92.6 Ų | 92.6 | 49% | 0.487 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 178.5 | -72.1 | -7.3 | 0 | 0 | 0 | 112 | Q423 R424 A429 Q430 D431 | Q423-N427 VanDerWaalsContact O-CG 3.29Å; Q423-N427 PolarHBondContact O-N 2.99Å; R424-N427 PolarHBondContact O-N 3.32Å; N427-A429 VanDerWaalsContact C-N 3.32Å; N427-A429 PolarHBondContact O-N 3.44Å; N427-Q430 WeakPolarHBondContact O-CB 3.48Å; N427-Q430 PolarHBondContact O-N 3.33Å; N427-D431 PolarHBondContact O-N 2.9Å |
| 428 | T | 82.4 | Confident | 81.9 | Confident | 85 Ų | 85 | 91.2 Ų | 91.2 | 52% | 0.521 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66 | -34.8 | 177 | 58 | 0 | 0 | 0 | 0 | 112.4 | R424 E425 M432 | R424-T428 WeakPolarHBondContact O-CG2 3.42Å; R424-T428 PolarHBondContact O-N 3.47Å; R424-T428 PolarHBondContact O-OG1 3.44Å; E425-T428 PolarHBondContact O-N 2.85Å; E425-T428 PolarHBondContact O-OG1 2.79Å; T428-M432 WeakPolarHBondContact O-CG 3.48Å; T428-M432 PolarHBondContact O-N 3.13Å; T428-M432 VanDerWaalsContact O-N 3.13Å |
| 429 | A | 74.5 | Confident | 82 | Confident | 32 Ų | 32 | 89.8 Ų | 89.8 | 26% | 0.264 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.4 | -36.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E425 L426 N427 M432 T433 | E425-A429 WeakPolarHBondContact O-CB 3.29Å; E425-A429 PolarHBondContact O-N 3.17Å; L426-A429 PolarHBondContact O-N 2.89Å; N427-A429 VanDerWaalsContact C-N 3.32Å; N427-A429 PolarHBondContact O-N 3.44Å; A429-M432 PolarHBondContact O-N 3.31Å; A429-T433 WeakPolarHBondContact O-CB 3.44Å; A429-T433 PolarHBondContact O-N 2.96Å; A429-T433 PolarHBondContact O-OG1 3.46Å |
| 430 | Q | 84.7 | Confident | 81.8 | Confident | 63 Ų | 63 | 88.4 Ų | 88.4 | 29% | 0.294 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 174.8 | -174.8 | 58.3 | 31.7 | 0 | 0 | 111.3 | L426 N427 M432 T433 D434 | L426-Q430 WeakPolarHBondContact O-CB 3.4Å; L426-Q430 PolarHBondContact O-N 2.89Å; N427-Q430 WeakPolarHBondContact O-CB 3.48Å; N427-Q430 PolarHBondContact O-N 3.33Å; Q430-M432 VanDerWaalsContact C-N 3.31Å; Q430-M432 PolarHBondContact O-N 2.92Å; Q430-T433 CarbonylContact O-C 3.57Å; Q430-T433 WeakPolarHBondContact O-CA 3.28Å; Q430-T433 WeakPolarHBondContact O-CB 3.29Å; Q430-T433 PolarHBondContact O-N 3.21Å; Q430-D434 PolarHBondContact NE2-OD1 3.19Å; Q430-D434 PolarHBondContact NE2-OD2 3.09Å; Q430-D434 PolarHBondContact O-N 3.35Å |
| 431 | D | 84.4 | Confident | 81.8 | Confident | 95 Ų | 95 | 87.1 Ų | 87.1 | 51% | 0.508 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 176 | -74.2 | -14 | 0 | 0 | 0 | 112.4 | N427 T433 D434 K435 | N427-D431 PolarHBondContact O-N 2.9Å; D431-T433 VanDerWaalsContact C-N 3.35Å; D431-D434 PolarHBondContact O-N 3.29Å; D431-K435 WeakPolarHBondContact O-CG 3.26Å; D431-K435 PolarHBondContact O-N 3.17Å |
| 432 | M | 81.4 | Confident | 82 | Confident | 125 Ų | 125 | 90.4 Ų | 90.4 | 62% | 0.616 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.8 | -37.8 | 174.5 | -70.9 | -140.9 | -63.2 | 0 | 0 | 112 | T428 A429 Q430 D434 K435 L436 | T428-M432 WeakPolarHBondContact O-CG 3.48Å; T428-M432 PolarHBondContact O-N 3.13Å; T428-M432 VanDerWaalsContact O-N 3.13Å; A429-M432 PolarHBondContact O-N 3.31Å; Q430-M432 VanDerWaalsContact C-N 3.31Å; Q430-M432 PolarHBondContact O-N 2.92Å; M432-D434 VanDerWaalsContact C-N 3.32Å; M432-K435 PolarHBondContact O-N 3.42Å; M432-L436 WeakPolarHBondContact O-CG 3.42Å; M432-L436 PolarHBondContact O-N 2.94Å |
| 433 | T | 79.3 | Confident | 81.9 | Confident | 48 Ų | 48 | 94 Ų | 94 | 29% | 0.294 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 175.6 | -58.8 | 0 | 0 | 0 | 0 | 111 | A429 Q430 D431 L436 R437 | A429-T433 WeakPolarHBondContact O-CB 3.44Å; A429-T433 PolarHBondContact O-N 2.96Å; A429-T433 PolarHBondContact O-OG1 3.46Å; Q430-T433 CarbonylContact O-C 3.57Å; Q430-T433 WeakPolarHBondContact O-CA 3.28Å; Q430-T433 WeakPolarHBondContact O-CB 3.29Å; Q430-T433 PolarHBondContact O-N 3.21Å; D431-T433 VanDerWaalsContact C-N 3.35Å; T433-L436 PolarHBondContact O-N 2.92Å; T433-R437 WeakPolarHBondContact O-CB 3.35Å; T433-R437 PolarHBondContact O-N 3.16Å |
| 434 | D | 83.1 | Confident | 82.1 | Confident | 64 Ų | 64 | 93.4 Ų | 93.4 | 34% | 0.342 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70 | -38.6 | 178.6 | -65.5 | -18.8 | 0 | 0 | 0 | 111.8 | Q430 D431 M432 R437 A438 | Q430-D434 PolarHBondContact NE2-OD1 3.19Å; Q430-D434 PolarHBondContact NE2-OD2 3.09Å; Q430-D434 PolarHBondContact O-N 3.35Å; D431-D434 PolarHBondContact O-N 3.29Å; M432-D434 VanDerWaalsContact C-N 3.32Å; D434-R437 PolarHBondContact O-N 3.45Å; D434-R437 IonicContact OD1-CZ 3.28Å; D434-R437 IonicContact OD1-NH1 3.31Å; D434-R437 PolarHBondContact OD1-NH1 3.23Å; D434-A438 WeakPolarHBondContact O-CB 3.34Å; D434-A438 PolarHBondContact O-N 3.45Å |
| 435 | K | 84.6 | Confident | 82.2 | Confident | 139 Ų | 139 | 91.4 Ų | 91.4 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.3 | -47 | 170.6 | -75 | 174.3 | -174.9 | 173.2 | 0 | 112.1 | D431 M432 R437 A438 E439 | D431-K435 WeakPolarHBondContact O-CG 3.26Å; D431-K435 PolarHBondContact O-N 3.17Å; M432-K435 PolarHBondContact O-N 3.42Å; K435-R437 VanDerWaalsContact C-N 3.31Å; K435-R437 PolarHBondContact O-N 2.86Å; K435-A438 PolarHBondContact O-N 2.85Å; K435-E439 PolarHBondContact O-N 3Å |
| 436 | L | 77.9 | Confident | 82.1 | Confident | 110 Ų | 110 | 89.4 Ų | 89.4 | 58% | 0.576 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.6 | -37.7 | 176.8 | -72 | 171.9 | 0 | 0 | 0 | 111.6 | M432 T433 E439 L440 | M432-L436 WeakPolarHBondContact O-CG 3.42Å; M432-L436 PolarHBondContact O-N 2.94Å; T433-L436 PolarHBondContact O-N 2.92Å; L436-E439 PolarHBondContact O-N 3.41Å; L436-L440 VanDerWaalsContact O-CB 3.32Å; L436-L440 WeakPolarHBondContact O-CB 3.32Å; L436-L440 PolarHBondContact O-N 2.79Å |
| 437 | R | 82.2 | Confident | 82 | Confident | 86 Ų | 86 | 90 Ų | 90 | 33% | 0.325 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 174.9 | -164.2 | -176.8 | -67.5 | 105.1 | -0.3 | 111.4 | T433 D434 K435 L440 A441 | T433-R437 WeakPolarHBondContact O-CB 3.35Å; T433-R437 PolarHBondContact O-N 3.16Å; D434-R437 PolarHBondContact O-N 3.45Å; D434-R437 IonicContact OD1-CZ 3.28Å; D434-R437 IonicContact OD1-NH1 3.31Å; D434-R437 PolarHBondContact OD1-NH1 3.23Å; K435-R437 VanDerWaalsContact C-N 3.31Å; K435-R437 PolarHBondContact O-N 2.86Å; R437-L440 PolarHBondContact O-N 3.48Å; R437-A441 WeakPolarHBondContact O-CB 3.38Å; R437-A441 PolarHBondContact O-N 3.3Å |
| 438 | A | 84 | Confident | 82.1 | Confident | 64 Ų | 64 | 92 Ų | 92 | 53% | 0.529 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D434 K435 L440 A441 F442 | D434-A438 WeakPolarHBondContact O-CB 3.34Å; D434-A438 PolarHBondContact O-N 3.45Å; K435-A438 PolarHBondContact O-N 2.85Å; A438-L440 VanDerWaalsContact C-N 3.34Å; A438-A441 PolarHBondContact O-N 3.32Å; A438-F442 WeakPolarHBondContact O-CB 3.45Å; A438-F442 PolarHBondContact O-N 3.1Å |
| 439 | E | 82.5 | Confident | 82 | Confident | 122 Ų | 122 | 93.9 Ų | 93.9 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.7 | -40.5 | 174 | -76.2 | -177.6 | -169.3 | 0 | 0 | 111.9 | K435 L436 F442 K443 | K435-E439 PolarHBondContact O-N 3Å; L436-E439 PolarHBondContact O-N 3.41Å; E439-F442 PolarHBondContact O-N 2.9Å; E439-K443 WeakPolarHBondContact O-CB 3.41Å; E439-K443 VanDerWaalsContact O-CG 3.27Å; E439-K443 WeakPolarHBondContact O-CG 3.38Å; E439-K443 PolarHBondContact O-N 3.42Å |
| 440 | L | 77.1 | Confident | 82.2 | Confident | 124 Ų | 124 | 97 Ų | 97 | 65% | 0.649 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.7 | -41.4 | 177.5 | -154.2 | 159.5 | 0 | 0 | 0 | 111.2 | L436 R437 A438 K443 S444 | L436-L440 VanDerWaalsContact O-CB 3.32Å; L436-L440 WeakPolarHBondContact O-CB 3.32Å; L436-L440 PolarHBondContact O-N 2.79Å; R437-L440 PolarHBondContact O-N 3.48Å; A438-L440 VanDerWaalsContact C-N 3.34Å; L440-K443 PolarHBondContact O-N 2.91Å; L440-S444 WeakPolarHBondContact O-CB 3.39Å; L440-S444 PolarHBondContact O-N 2.9Å |
| 441 | A | 83.4 | Confident | 82.3 | Confident | 55 Ų | 55 | 98.5 Ų | 98.5 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | R437 A438 K443 S444 T445 | R437-A441 WeakPolarHBondContact O-CB 3.38Å; R437-A441 PolarHBondContact O-N 3.3Å; A438-A441 PolarHBondContact O-N 3.32Å; A441-K443 PolarHBondContact O-N 3.08Å; A441-S444 PolarHBondContact O-N 2.82Å; A441-T445 WeakPolarHBondContact O-CG2 3.48Å; A441-T445 PolarHBondContact O-N 3.2Å; A441-T445 PolarHBondContact O-OG1 3.47Å |
| 442 | F | 85.6 | Confident | 82.3 | Confident | 132 Ų | 132 | 99.7 Ų | 99.7 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 173.9 | -178.4 | -98 | 0 | 0 | 0 | 111.9 | A438 E439 T445 Q446 | A438-F442 WeakPolarHBondContact O-CB 3.45Å; A438-F442 PolarHBondContact O-N 3.1Å; E439-F442 PolarHBondContact O-N 2.9Å; F442-T445 PolarHBondContact O-N 3.28Å; F442-T445 PolarHBondContact O-OG1 2.9Å; F442-Q446 WeakPolarHBondContact O-CB 3.47Å; F442-Q446 PolarHBondContact O-N 2.99Å |
| 443 | K | 81.5 | Confident | 82.3 | Confident | 128 Ų | 128 | 99.5 Ų | 99.5 | 56% | 0.557 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.3 | -38.6 | 175.7 | -71.8 | -70.5 | 179 | -176 | 0 | 112.7 | E439 L440 A441 Q446 L447 | E439-K443 WeakPolarHBondContact O-CB 3.41Å; E439-K443 VanDerWaalsContact O-CG 3.27Å; E439-K443 WeakPolarHBondContact O-CG 3.38Å; E439-K443 PolarHBondContact O-N 3.42Å; L440-K443 PolarHBondContact O-N 2.91Å; A441-K443 PolarHBondContact O-N 3.08Å; K443-Q446 PolarHBondContact O-N 2.66Å; K443-L447 WeakPolarHBondContact O-CB 3.24Å; K443-L447 PolarHBondContact O-N 3.46Å |
| 444 | S | 81.3 | Confident | 82.4 | Confident | 70 Ų | 70 | 101.5 Ų | 101.5 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | L440 A441 Q446 L447 K448 | L440-S444 WeakPolarHBondContact O-CB 3.39Å; L440-S444 PolarHBondContact O-N 2.9Å; A441-S444 PolarHBondContact O-N 2.82Å; S444-Q446 PolarHBondContact O-N 3.21Å; S444-L447 PolarHBondContact O-N 3.14Å; S444-K448 PolarHBondContact O-N 2.93Å |
| 445 | T | 86.1 | Confident | 82.5 | Confident | 76 Ų | 76 | 105.5 Ų | 105.5 | 47% | 0.466 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 175.1 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | A441 F442 L447 K448 Q449 | A441-T445 WeakPolarHBondContact O-CG2 3.48Å; A441-T445 PolarHBondContact O-N 3.2Å; A441-T445 PolarHBondContact O-OG1 3.47Å; F442-T445 PolarHBondContact O-N 3.28Å; F442-T445 PolarHBondContact O-OG1 2.9Å; T445-L447 VanDerWaalsContact C-N 3.34Å; T445-L447 PolarHBondContact O-N 3.33Å; T445-K448 PolarHBondContact O-N 3.36Å; T445-Q449 WeakPolarHBondContact O-CG 3.4Å; T445-Q449 PolarHBondContact O-N 3.49Å |
| 446 | Q | 79.7 | Confident | 82.5 | Confident | 81 Ų | 81 | 102 Ų | 102 | 38% | 0.379 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 173.6 | -177.4 | 173 | 52.2 | 0 | 0 | 112 | F442 K443 S444 Q449 Q450 | F442-Q446 WeakPolarHBondContact O-CB 3.47Å; F442-Q446 PolarHBondContact O-N 2.99Å; K443-Q446 PolarHBondContact O-N 2.66Å; S444-Q446 PolarHBondContact O-N 3.21Å; Q446-Q449 PolarHBondContact O-N 3.04Å; Q446-Q450 WeakPolarHBondContact O-CG 3.25Å; Q446-Q450 PolarHBondContact O-N 3.17Å |
| 447 | L | 81.2 | Confident | 82.6 | Confident | 99 Ų | 99 | 102.1 Ų | 102.1 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 178.4 | -168.7 | 137.3 | 0 | 0 | 0 | 111.4 | K443 S444 T445 Q449 Q450 E451 | K443-L447 WeakPolarHBondContact O-CB 3.24Å; K443-L447 PolarHBondContact O-N 3.46Å; S444-L447 PolarHBondContact O-N 3.14Å; T445-L447 VanDerWaalsContact C-N 3.34Å; T445-L447 PolarHBondContact O-N 3.33Å; L447-Q449 VanDerWaalsContact C-N 3.3Å; L447-Q449 PolarHBondContact O-N 3.11Å; L447-Q450 CarbonylContact O-C 3.26Å; L447-Q450 WeakPolarHBondContact O-CA 3.44Å; L447-Q450 WeakPolarHBondContact O-CB 3.44Å; L447-Q450 PolarHBondContact O-N 2.7Å; L447-E451 HydrophobicContact CD2-CG 4.08Å; L447-E451 WeakPolarHBondContact CD2-OE1 3.42Å; L447-E451 WeakPolarHBondContact O-CG 3.37Å; L447-E451 PolarHBondContact O-N 3.22Å |
| 448 | K | 86.3 | Confident | 82.8 | Confident | 133 Ų | 133 | 102.6 Ų | 102.6 | 58% | 0.578 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.1 | -39.1 | 175.5 | -147.2 | 175.2 | -170.6 | 175.7 | 0 | 112.4 | S444 T445 Q450 E451 E452 | S444-K448 PolarHBondContact O-N 2.93Å; T445-K448 PolarHBondContact O-N 3.36Å; K448-Q450 VanDerWaalsContact C-N 3.33Å; K448-Q450 PolarHBondContact O-N 3.48Å; K448-E451 PolarHBondContact O-N 3.16Å; K448-E452 WeakPolarHBondContact O-CB 3.42Å; K448-E452 PolarHBondContact O-N 3.43Å |
| 449 | Q | 80.3 | Confident | 82.9 | Confident | 125 Ų | 125 | 104.5 Ų | 104.5 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -33 | 173 | -73.4 | 178 | 3.6 | 0 | 0 | 113 | T445 Q446 L447 K453 | T445-Q449 WeakPolarHBondContact O-CG 3.4Å; T445-Q449 PolarHBondContact O-N 3.49Å; Q446-Q449 PolarHBondContact O-N 3.04Å; L447-Q449 VanDerWaalsContact C-N 3.3Å; L447-Q449 PolarHBondContact O-N 3.11Å; Q449-K453 WeakPolarHBondContact O-CG 3.26Å; Q449-K453 PolarHBondContact O-N 2.92Å |
| 450 | Q | 80.5 | Confident | 83 | Confident | 99 Ų | 99 | 104.5 Ų | 104.5 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74.5 | -41.4 | 174.7 | -65 | -66.6 | -0.2 | 0 | 0 | 111.4 | Q446 L447 K448 E452 K453 V454 | Q446-Q450 WeakPolarHBondContact O-CG 3.25Å; Q446-Q450 PolarHBondContact O-N 3.17Å; L447-Q450 CarbonylContact O-C 3.26Å; L447-Q450 WeakPolarHBondContact O-CA 3.44Å; L447-Q450 WeakPolarHBondContact O-CB 3.44Å; L447-Q450 PolarHBondContact O-N 2.7Å; K448-Q450 VanDerWaalsContact C-N 3.33Å; K448-Q450 PolarHBondContact O-N 3.48Å; Q450-E452 VanDerWaalsContact C-N 3.29Å; Q450-E452 PolarHBondContact O-N 3.3Å; Q450-K453 WeakPolarHBondContact O-CB 3.41Å; Q450-K453 PolarHBondContact O-N 3.3Å; Q450-V454 WeakPolarHBondContact O-CG2 3.31Å; Q450-V454 PolarHBondContact O-N 2.95Å |
| 451 | E | 85 | Confident | 83.1 | Confident | 93 Ų | 93 | 103.2 Ų | 103.2 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.3 | -38.7 | 173.5 | -70 | 175.6 | 160.8 | 0 | 0 | 112 | L447 K448 V454 R455 | L447-E451 HydrophobicContact CD2-CG 4.08Å; L447-E451 WeakPolarHBondContact CD2-OE1 3.42Å; L447-E451 WeakPolarHBondContact O-CG 3.37Å; L447-E451 PolarHBondContact O-N 3.22Å; K448-E451 PolarHBondContact O-N 3.16Å; E451-V454 PolarHBondContact O-N 3.33Å; E451-R455 PolarHBondContact O-N 3.47Å |
| 452 | E | 84.8 | Confident | 83.3 | Confident | 120 Ų | 120 | 103.6 Ų | 103.6 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.3 | -34.7 | 176.5 | -171.2 | 156.5 | -166.1 | 0 | 0 | 112.8 | K448 Q450 R455 T456 | K448-E452 WeakPolarHBondContact O-CB 3.42Å; K448-E452 PolarHBondContact O-N 3.43Å; Q450-E452 VanDerWaalsContact C-N 3.29Å; Q450-E452 PolarHBondContact O-N 3.3Å; E452-R455 PolarHBondContact O-N 3.23Å; E452-T456 WeakPolarHBondContact O-CB 3.26Å; E452-T456 PolarHBondContact O-N 3.25Å; E452-T456 PolarHBondContact O-OG1 3.29Å |
| 453 | K | 82 | Confident | 83.2 | Confident | 121 Ų | 121 | 100.3 Ų | 100.3 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 169.1 | -78.2 | 176.2 | -176.9 | 174.1 | 0 | 111.8 | Q449 Q450 T456 L457 | Q449-K453 WeakPolarHBondContact O-CG 3.26Å; Q449-K453 PolarHBondContact O-N 2.92Å; Q450-K453 WeakPolarHBondContact O-CB 3.41Å; Q450-K453 PolarHBondContact O-N 3.3Å; K453-T456 PolarHBondContact O-N 2.93Å; K453-L457 WeakPolarHBondContact O-CG 3.47Å; K453-L457 PolarHBondContact O-N 3.05Å |
| 454 | V | 82.2 | Confident | 83 | Confident | 91 Ų | 91 | 98.3 Ų | 98.3 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.6 | -46.9 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | Q450 E451 T456 L457 Q458 | Q450-V454 WeakPolarHBondContact O-CG2 3.31Å; Q450-V454 PolarHBondContact O-N 2.95Å; E451-V454 PolarHBondContact O-N 3.33Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 3.2Å; V454-L457 PolarHBondContact O-N 3.39Å; V454-L457 VanDerWaalsContact O-N 3.14Å; V454-Q458 PolarHBondContact O-N 2.85Å |
| 455 | R | 85.2 | Confident | 82.9 | Confident | 148 Ų | 148 | 98 Ų | 98 | 56% | 0.558 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.8 | -41.4 | 174.1 | -79.8 | -168.5 | -85.1 | -179.6 | -7.4 | 113 | E451 E452 L457 Q458 I459 | E451-R455 PolarHBondContact O-N 3.47Å; E452-R455 PolarHBondContact O-N 3.23Å; R455-L457 VanDerWaalsContact C-N 3.33Å; R455-L457 PolarHBondContact O-N 3.49Å; R455-Q458 PolarHBondContact O-N 2.89Å; R455-I459 WeakPolarHBondContact O-CG1 3.01Å; R455-I459 PolarHBondContact O-N 2.9Å |
| 456 | T | 82.8 | Confident | 82.7 | Confident | 65 Ų | 65 | 99.1 Ų | 99.1 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 176.5 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | E452 K453 V454 K460 | E452-T456 WeakPolarHBondContact O-CB 3.26Å; E452-T456 PolarHBondContact O-N 3.25Å; E452-T456 PolarHBondContact O-OG1 3.29Å; K453-T456 PolarHBondContact O-N 2.93Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 3.2Å; T456-K460 VanDerWaalsContact O-CG 3.32Å; T456-K460 WeakPolarHBondContact O-CG 3.3Å; T456-K460 PolarHBondContact O-N 3.32Å; T456-K460 VanDerWaalsContact O-N 3.14Å |
| 457 | L | 81.8 | Confident | 82.6 | Confident | 113 Ų | 113 | 100.1 Ų | 100.1 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.9 | -37.7 | 175.6 | -71.5 | 172.1 | 0 | 0 | 0 | 111.6 | K453 V454 R455 K460 L461 | K453-L457 WeakPolarHBondContact O-CG 3.47Å; K453-L457 PolarHBondContact O-N 3.05Å; V454-L457 PolarHBondContact O-N 3.39Å; V454-L457 VanDerWaalsContact O-N 3.14Å; R455-L457 VanDerWaalsContact C-N 3.33Å; R455-L457 PolarHBondContact O-N 3.49Å; L457-K460 PolarHBondContact O-N 3.34Å; L457-L461 PolarHBondContact O-N 2.97Å |
| 458 | Q | 85 | Confident | 82.1 | Confident | 96 Ų | 96 | 100.7 Ų | 100.7 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -51.3 | 174.5 | -169.5 | 63.3 | 48.4 | 0 | 0 | 111 | V454 R455 K460 L461 D462 | V454-Q458 PolarHBondContact O-N 2.85Å; R455-Q458 PolarHBondContact O-N 2.89Å; Q458-K460 PolarHBondContact O-N 3.3Å; Q458-L461 WeakPolarHBondContact O-CA 3.48Å; Q458-L461 VanDerWaalsContact O-CB 3.3Å; Q458-L461 WeakPolarHBondContact O-CB 3.26Å; Q458-L461 PolarHBondContact O-N 3.26Å; Q458-D462 PolarHBondContact NE2-OD1 3.19Å; Q458-D462 PolarHBondContact O-N 2.91Å; Q458-D462 VanDerWaalsContact O-OD1 3.14Å |
| 459 | I | 86.5 | Confident | 81.5 | Confident | 103 Ų | 103 | 98 Ų | 98 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.5 | -39.3 | 176.4 | -67.2 | 164.6 | 0 | 0 | 0 | 111.1 | R455 D462 T463 | R455-I459 WeakPolarHBondContact O-CG1 3.01Å; R455-I459 PolarHBondContact O-N 2.9Å; I459-D462 PolarHBondContact O-N 3.41Å; I459-T463 HydrophobicContact CG2-CG2 4.45Å; I459-T463 VanDerWaalsContact O-CG2 3.3Å; I459-T463 WeakPolarHBondContact O-CG2 3.38Å; I459-T463 PolarHBondContact O-N 2.99Å; I459-T463 PolarHBondContact O-OG1 3.47Å |
| 460 | K | 83.9 | Confident | 81 | Confident | 123 Ų | 123 | 97.7 Ų | 97.7 | 54% | 0.535 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 176 | -77 | 176.8 | -179.3 | -177 | 0 | 112.5 | T456 L457 Q458 T463 V464 | T456-K460 VanDerWaalsContact O-CG 3.32Å; T456-K460 WeakPolarHBondContact O-CG 3.3Å; T456-K460 PolarHBondContact O-N 3.32Å; T456-K460 VanDerWaalsContact O-N 3.14Å; L457-K460 PolarHBondContact O-N 3.34Å; Q458-K460 PolarHBondContact O-N 3.3Å; K460-T463 VanDerWaalsContact CA-OG1 3.32Å; K460-T463 WeakPolarHBondContact CA-OG1 3.43Å; K460-T463 PolarHBondContact O-OG1 3Å; K460-V464 VanDerWaalsContact O-CG2 3.28Å; K460-V464 WeakPolarHBondContact O-CG2 3.44Å; K460-V464 PolarHBondContact O-N 3.18Å |
| 461 | L | 80.5 | Confident | 80.4 | Confident | 96 Ų | 96 | 96 Ų | 96 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -51 | 175.2 | -174.1 | 66.3 | 0 | 0 | 0 | 109.8 | L457 Q458 T463 V464 E465 | L457-L461 PolarHBondContact O-N 2.97Å; Q458-L461 WeakPolarHBondContact O-CA 3.48Å; Q458-L461 VanDerWaalsContact O-CB 3.3Å; Q458-L461 WeakPolarHBondContact O-CB 3.26Å; Q458-L461 PolarHBondContact O-N 3.26Å; L461-T463 VanDerWaalsContact C-N 3.32Å; L461-T463 PolarHBondContact O-N 3.45Å; L461-V464 PolarHBondContact O-N 3.37Å; L461-E465 WeakPolarHBondContact O-CB 3.34Å; L461-E465 PolarHBondContact O-N 3.01Å |
| 462 | D | 86.5 | Confident | 79.3 | Confident | 64 Ų | 64 | 99.4 Ų | 99.4 | 34% | 0.342 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 178.3 | -52.6 | -13.5 | 0 | 0 | 0 | 110.8 | Q458 I459 V464 E465 D466 | Q458-D462 PolarHBondContact NE2-OD1 3.19Å; Q458-D462 PolarHBondContact O-N 2.91Å; Q458-D462 VanDerWaalsContact O-OD1 3.14Å; I459-D462 PolarHBondContact O-N 3.41Å; D462-V464 PolarHBondContact O-N 3.36Å; D462-E465 PolarHBondContact O-N 3.03Å; D462-D466 WeakPolarHBondContact O-CB 3.4Å; D462-D466 PolarHBondContact O-N 3.38Å |
| 463 | T | 84 | Confident | 78.1 | Confident | 63 Ų | 63 | 96.9 Ų | 96.9 | 39% | 0.387 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.6 | -34.6 | 176 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | I459 K460 L461 D467 | I459-T463 HydrophobicContact CG2-CG2 4.45Å; I459-T463 VanDerWaalsContact O-CG2 3.3Å; I459-T463 WeakPolarHBondContact O-CG2 3.38Å; I459-T463 PolarHBondContact O-N 2.99Å; I459-T463 PolarHBondContact O-OG1 3.47Å; K460-T463 VanDerWaalsContact CA-OG1 3.32Å; K460-T463 WeakPolarHBondContact CA-OG1 3.43Å; K460-T463 PolarHBondContact O-OG1 3Å; L461-T463 VanDerWaalsContact C-N 3.32Å; L461-T463 PolarHBondContact O-N 3.45Å; T463-D467 WeakPolarHBondContact O-CB 3.4Å; T463-D467 VanDerWaalsContact O-CG 3.26Å; T463-D467 PolarHBondContact O-N 3.49Å |
| 464 | V | 77.5 | Confident | 76.8 | Confident | 86 Ų | 86 | 96.6 Ų | 96.6 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.8 | -37.1 | 176.6 | 167.9 | 0 | 0 | 0 | 0 | 110 | K460 L461 D462 D467 L468 | K460-V464 VanDerWaalsContact O-CG2 3.28Å; K460-V464 WeakPolarHBondContact O-CG2 3.44Å; K460-V464 PolarHBondContact O-N 3.18Å; L461-V464 PolarHBondContact O-N 3.37Å; D462-V464 PolarHBondContact O-N 3.36Å; V464-D467 PolarHBondContact O-N 3.14Å; V464-L468 VanDerWaalsContact O-CB 3.23Å; V464-L468 WeakPolarHBondContact O-CB 3.47Å; V464-L468 PolarHBondContact O-N 3.3Å |
| 465 | E | 79.3 | Confident | 75.3 | Confident | 63 Ų | 63 | 95.4 Ų | 95.4 | 29% | 0.294 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 174.8 | -166.5 | 147.1 | -144.9 | 0 | 0 | 110.9 | L461 D462 L468 L469 | L461-E465 WeakPolarHBondContact O-CB 3.34Å; L461-E465 PolarHBondContact O-N 3.01Å; D462-E465 PolarHBondContact O-N 3.03Å; E465-L468 CarbonylContact O-C 3.59Å; E465-L468 PolarHBondContact O-N 3.46Å; E465-L468 VanDerWaalsContact O-N 3.16Å; E465-L469 WeakPolarHBondContact O-CB 3.45Å; E465-L469 WeakPolarHBondContact O-CG 3.43Å; E465-L469 PolarHBondContact O-N 3.01Å |
| 466 | D | 81.6 | Confident | 73.5 | Confident | 99 Ų | 99 | 92 Ų | 92 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 171.9 | -81.4 | -23.5 | 0 | 0 | 0 | 112.4 | D462 L468 L469 Q470 | D462-D466 WeakPolarHBondContact O-CB 3.4Å; D462-D466 PolarHBondContact O-N 3.38Å; D466-L468 VanDerWaalsContact C-N 3.26Å; D466-L468 PolarHBondContact O-N 3.48Å; D466-L469 PolarHBondContact O-N 3.47Å; D466-Q470 VanDerWaalsContact O-CB 3.27Å; D466-Q470 WeakPolarHBondContact O-CB 3.3Å; D466-Q470 PolarHBondContact O-N 2.85Å |
| 467 | D | 78.3 | Confident | 72 | Confident | 103 Ų | 103 | 94.9 Ų | 94.9 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.7 | -35.1 | 176.3 | -79.4 | -16.5 | 0 | 0 | 0 | 111.4 | T463 V464 S471 | T463-D467 WeakPolarHBondContact O-CB 3.4Å; T463-D467 VanDerWaalsContact O-CG 3.26Å; T463-D467 PolarHBondContact O-N 3.49Å; V464-D467 PolarHBondContact O-N 3.14Å; D467-S471 WeakPolarHBondContact O-CB 3.46Å; D467-S471 PolarHBondContact O-N 3.36Å; D467-S471 PolarHBondContact O-OG 3.39Å |
| 468 | L | 71 | Confident | 70.3 | Confident | 110 Ų | 110 | 98.2 Ų | 98.2 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -73.8 | -38.8 | 178.2 | -156.8 | 139.7 | 0 | 0 | 0 | 111.4 | V464 E465 D466 S471 R472 | V464-L468 VanDerWaalsContact O-CB 3.23Å; V464-L468 WeakPolarHBondContact O-CB 3.47Å; V464-L468 PolarHBondContact O-N 3.3Å; E465-L468 CarbonylContact O-C 3.59Å; E465-L468 PolarHBondContact O-N 3.46Å; E465-L468 VanDerWaalsContact O-N 3.16Å; D466-L468 VanDerWaalsContact C-N 3.26Å; D466-L468 PolarHBondContact O-N 3.48Å; L468-S471 WeakPolarHBondContact CA-OG 3.45Å; L468-S471 PolarHBondContact O-OG 3.05Å; L468-R472 VanDerWaalsContact O-CB 3.27Å; L468-R472 WeakPolarHBondContact O-CB 3.32Å; L468-R472 PolarHBondContact O-N 3.41Å |
| 469 | L | 72 | Confident | 68.4 | Low | 76 Ų | 76 | 98.2 Ų | 98.2 | 40% | 0.398 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 170.8 | -72.7 | 172.4 | 0 | 0 | 0 | 111.5 | E465 D466 R472 S473 | E465-L469 WeakPolarHBondContact O-CB 3.45Å; E465-L469 WeakPolarHBondContact O-CG 3.43Å; E465-L469 PolarHBondContact O-N 3.01Å; D466-L469 PolarHBondContact O-N 3.47Å; L469-R472 PolarHBondContact O-N 3.28Å; L469-S473 WeakPolarHBondContact O-CB 3.39Å; L469-S473 PolarHBondContact O-N 3.09Å |
| 470 | Q | 70.6 | Confident | 66.4 | Low | 119 Ų | 119 | 97.6 Ų | 97.6 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.6 | -44.1 | 176.8 | -168.3 | 174.5 | 35.9 | 0 | 0 | 111 | D466 R472 S473 L474 | D466-Q470 VanDerWaalsContact O-CB 3.27Å; D466-Q470 WeakPolarHBondContact O-CB 3.3Å; D466-Q470 PolarHBondContact O-N 2.85Å; Q470-R472 VanDerWaalsContact C-N 3.35Å; Q470-S473 PolarHBondContact O-N 2.9Å; Q470-S473 PolarHBondContact O-OG 3.23Å; Q470-L474 WeakPolarHBondContact O-CG 3.36Å; Q470-L474 PolarHBondContact O-N 3.17Å |
| 471 | S | 66.8 | Low | 64.4 | Low | 65 Ų | 65 | 100.3 Ų | 100.3 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.7 | -34.3 | 174.7 | 58.8 | 0 | 0 | 0 | 0 | 112.6 | D467 L468 L474 S475 | D467-S471 WeakPolarHBondContact O-CB 3.46Å; D467-S471 PolarHBondContact O-N 3.36Å; D467-S471 PolarHBondContact O-OG 3.39Å; L468-S471 WeakPolarHBondContact CA-OG 3.45Å; L468-S471 PolarHBondContact O-OG 3.05Å; S471-L474 PolarHBondContact O-N 3.24Å; S471-S475 WeakPolarHBondContact O-CB 3.49Å; S471-S475 PolarHBondContact O-N 2.87Å |
| 472 | R | 63.3 | Low | 62.5 | Low | 163 Ų | 163 | 100.1 Ų | 100.1 | 62% | 0.615 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.3 | -39.7 | 171 | -165.4 | 172.6 | -175.4 | -178.9 | -0.3 | 111.8 | L468 L469 Q470 S475 N476 | L468-R472 VanDerWaalsContact O-CB 3.27Å; L468-R472 WeakPolarHBondContact O-CB 3.32Å; L468-R472 PolarHBondContact O-N 3.41Å; L469-R472 PolarHBondContact O-N 3.28Å; Q470-R472 VanDerWaalsContact C-N 3.35Å; R472-S475 PolarHBondContact O-N 2.88Å; R472-N476 WeakPolarHBondContact O-CB 3.41Å; R472-N476 PolarHBondContact O-N 3.47Å; R472-N476 PolarHBondContact O-ND2 3.25Å |
| 473 | S | 59.3 | Low | 60.4 | Low | 67 Ų | 67 | 103.5 Ų | 103.5 | 47% | 0.469 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 176.2 | 84.6 | 0 | 0 | 0 | 0 | 112.4 | L469 Q470 N476 H477 | L469-S473 WeakPolarHBondContact O-CB 3.39Å; L469-S473 PolarHBondContact O-N 3.09Å; Q470-S473 PolarHBondContact O-N 2.9Å; Q470-S473 PolarHBondContact O-OG 3.23Å; S473-N476 PolarHBondContact O-N 2.92Å; S473-H477 PolarHBondContact O-N 2.9Å |
| 474 | L | 55.1 | Low | 58 | Low | 116 Ų | 116 | 109.8 Ų | 109.8 | 61% | 0.607 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.8 | -38.1 | 176.6 | -74.2 | 168.2 | 0 | 0 | 0 | 111.9 | Q470 S471 N476 H477 F478 | Q470-L474 WeakPolarHBondContact O-CG 3.36Å; Q470-L474 PolarHBondContact O-N 3.17Å; S471-L474 PolarHBondContact O-N 3.24Å; L474-N476 VanDerWaalsContact C-N 3.34Å; L474-H477 PolarHBondContact O-N 3.47Å; L474-F478 PolarHBondContact O-N 2.93Å |
| 475 | S | 51 | Low | 55.8 | Low | 65 Ų | 65 | 111.7 Ų | 111.7 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.4 | -40.7 | 171.7 | -169.5 | 0 | 0 | 0 | 0 | 111.4 | S471 R472 H477 F478 L479 | S471-S475 WeakPolarHBondContact O-CB 3.49Å; S471-S475 PolarHBondContact O-N 2.87Å; R472-S475 PolarHBondContact O-N 2.88Å; S475-H477 PolarHBondContact O-N 3.25Å; S475-F478 PolarHBondContact O-N 3.49Å; S475-L479 PolarHBondContact O-N 2.91Å; S475-L479 VanDerWaalsContact O-N 3.15Å |
| 476 | N | 46.9 | Very low | 53.5 | Low | 78 Ų | 78 | 117 Ų | 117 | 42% | 0.417 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.3 | -30.9 | 178.4 | -73.6 | -21.6 | 0 | 0 | 0 | 112.9 | R472 S473 L474 F478 L479 T480 | R472-N476 WeakPolarHBondContact O-CB 3.41Å; R472-N476 PolarHBondContact O-N 3.47Å; R472-N476 PolarHBondContact O-ND2 3.25Å; S473-N476 PolarHBondContact O-N 2.92Å; L474-N476 VanDerWaalsContact C-N 3.34Å; N476-F478 VanDerWaalsContact C-N 3.26Å; N476-F478 PolarHBondContact O-N 3.32Å; N476-L479 PolarHBondContact O-N 2.9Å; N476-T480 VanDerWaalsContact O-CB 3.29Å; N476-T480 WeakPolarHBondContact O-CB 3.45Å; N476-T480 VanDerWaalsContact O-CG2 3.29Å; N476-T480 WeakPolarHBondContact O-CG2 3.25Å; N476-T480 PolarHBondContact O-N 3.26Å; N476-T480 PolarHBondContact O-OG1 2.91Å |
| 477 | H | 50.8 | Low | 51 | Low | 125 Ų | 125 | 122.7 Ų | 122.7 | 58% | 0.579 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67 | -28.8 | 173.5 | -165.8 | -50.8 | 0 | 0 | 0 | 111.8 | S473 L474 S475 | S473-H477 PolarHBondContact O-N 2.9Å; L474-H477 PolarHBondContact O-N 3.47Å; S475-H477 PolarHBondContact O-N 3.25Å |
| 478 | F | 45.5 | Very low | 48.6 | Very low | 182 Ų | 182 | 125 Ų | 125 | 80% | 0.798 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78 | -33.8 | 174.6 | -110.4 | -86.5 | 0 | 0 | 0 | 112.9 | L474 S475 N476 | L474-F478 PolarHBondContact O-N 2.93Å; S475-F478 PolarHBondContact O-N 3.49Å; N476-F478 VanDerWaalsContact C-N 3.26Å; N476-F478 PolarHBondContact O-N 3.32Å |
| 479 | L | 46.3 | Very low | 46.6 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 51% | 0.508 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -81.7 | -30.7 | 178 | -69.5 | 172.4 | 0 | 0 | 0 | 113.4 | S475 N476 K481 S482 L483 | S475-L479 PolarHBondContact O-N 2.91Å; S475-L479 VanDerWaalsContact O-N 3.15Å; N476-L479 PolarHBondContact O-N 2.9Å; L479-K481 VanDerWaalsContact C-N 3.33Å; L479-K481 PolarHBondContact O-N 3.07Å; L479-S482 PolarHBondContact O-N 3.39Å; L479-S482 VanDerWaalsContact O-N 3.11Å; L479-L483 PolarHBondContact O-N 3.25Å |
| 480 | T | 43.5 | Very low | 44.6 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 55% | 0.552 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.8 | -22.2 | -177.9 | 47.7 | 0 | 0 | 0 | 0 | 113.7 | N476 S482 | N476-T480 VanDerWaalsContact O-CB 3.29Å; N476-T480 WeakPolarHBondContact O-CB 3.45Å; N476-T480 VanDerWaalsContact O-CG2 3.29Å; N476-T480 WeakPolarHBondContact O-CG2 3.25Å; N476-T480 PolarHBondContact O-N 3.26Å; N476-T480 PolarHBondContact O-OG1 2.91Å; T480-S482 VanDerWaalsContact C-N 3.35Å |
| 481 | K | 42.6 | Very low | 42.5 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 78% | 0.778 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -75.1 | -21.2 | 169.4 | -115.6 | -179.6 | -177.1 | 177.4 | 0 | 113.8 | L479 | L479-K481 VanDerWaalsContact C-N 3.33Å; L479-K481 PolarHBondContact O-N 3.07Å |
| 482 | S | 41.2 | Very low | 41 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 65% | 0.65 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -87.8 | -29.2 | -179.1 | -163.4 | 0 | 0 | 0 | 0 | 113 | L479 T480 | L479-S482 PolarHBondContact O-N 3.39Å; L479-S482 VanDerWaalsContact O-N 3.11Å; T480-S482 VanDerWaalsContact C-N 3.35Å |
| 483 | L | 41 | Very low | 39.5 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -99.1 | -7.6 | -170.4 | -92.4 | 147.2 | 0 | 0 | 0 | 116 | L479 T485 | L479-L483 PolarHBondContact O-N 3.25Å; L483-T485 VanDerWaalsContact C-N 3.26Å; L483-T485 PolarHBondContact O-N 3.13Å; L483-T485 VanDerWaalsContact O-N 3.14Å |
| 484 | K | 34.2 | Very low | 38.5 | Very low | 195 Ų | 195 | 140 Ų | 140 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 22.6 | -176.3 | -141.8 | 170.1 | -172.8 | 174.1 | 0 | 115.7 | ||
| 485 | T | 31.7 | Very low | 37.5 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | 11.1 | 176.9 | 22.1 | 0 | 0 | 0 | 0 | 116.9 | L483 | L483-T485 VanDerWaalsContact C-N 3.26Å; L483-T485 PolarHBondContact O-N 3.13Å; L483-T485 VanDerWaalsContact O-N 3.14Å |
| 486 | K | 31.1 | Very low | 36.6 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -139.3 | 141.5 | 167.6 | -84.2 | -175.7 | 174.8 | 178.2 | 0 | 111.5 | ||
| 487 | Y | 28.8 | Very low | 36.1 | Very low | 217 Ų | 217 | 149 Ų | 149 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | trans | 91.3 | 67 | 177.5 | -56.6 | -76.1 | 0 | 0 | 0 | 116.2 | ||||
| 488 | I | 28.4 | Very low | 35.2 | Very low | 151 Ų | 151 | 151.3 Ų | 151.3 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | trans | -96.4 | 129 | 137.3 | -74.4 | 172 | 0 | 0 | 0 | 105.3 | ||||
| 489 | N | 28.6 | Very low | 34.4 | Very low | 126 Ų | 126 | 149.2 Ų | 149.2 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | trans | 72.5 | 136.4 | 173.4 | -49.9 | -14.7 | 0 | 0 | 0 | 114.5 | ||||
| 490 | D | 29.3 | Very low | 33.8 | Very low | 150 Ų | 150 | 153 Ų | 153 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | cis | -145.8 | 152.1 | 38.3 | -81.2 | -53.4 | 0 | 0 | 0 | 112.6 | ||||
| 491 | E | 27.3 | Very low | 33.2 | Very low | 195 Ų | 195 | 155.6 Ų | 155.6 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -63.1 | 127.3 | 170.4 | -166.6 | 168 | -165.3 | 0 | 0 | 110.5 | ||||
| 492 | V | 35.7 | Very low | 32.6 | Very low | 133 Ų | 133 | 155.2 Ų | 155.2 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | -138.4 | 132.2 | 168.3 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 493 | D | 32.3 | Very low | 32 | Very low | 152 Ų | 152 | 157.3 Ų | 157.3 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -49.5 | 144.8 | -178.2 | -81.7 | -54.8 | 0 | 0 | 0 | 115.3 | ||||
| 494 | I | 36.8 | Very low | 31.3 | Very low | 161 Ų | 161 | 158 Ų | 158 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -96.9 | 106.8 | 169.8 | -62.5 | 170.5 | 0 | 0 | 0 | 106.1 | ||||
| 495 | D | 34.8 | Very low | 31.1 | Very low | 149 Ų | 149 | 156.8 Ų | 156.8 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -87.2 | 145.9 | 163.3 | -82.6 | -38.3 | 0 | 0 | 0 | 110 | ||||
| 496 | D | 32 | Very low | 30.9 | Very low | 143 Ų | 143 | 158.3 Ų | 158.3 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | -63.5 | 166.4 | 178.8 | -63.8 | -58.2 | 0 | 0 | 0 | 113.8 | ||||
| 497 | D | 36.5 | Very low | 30.7 | Very low | 156 Ų | 156 | 154.2 Ų | 154.2 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | 139.1 | 88 | 158.6 | -69.8 | -20 | 0 | 0 | 0 | 107.8 | ||||
| 498 | E | 31 | Very low | 30.5 | Very low | 173 Ų | 173 | 147.2 Ų | 147.2 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | 54.3 | 118.2 | 82.4 | -78.2 | -167.8 | 177.1 | 0 | 0 | 114.7 | |||||
| 499 | D | 30.2 | Very low | 30.5 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | trans | 102.1 | 141.7 | 145.1 | -55.7 | -30.9 | 0 | 0 | 0 | 121.9 | ||||
| 500 | E | 33.6 | Very low | 30.3 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | 80.2 | 138 | 162.5 | -51.8 | -176.7 | 178.2 | 0 | 0 | 117.2 | ||||
| 501 | D | 29.6 | Very low | 30.2 | Very low | 144 Ų | 144 | 150.7 Ų | 150.7 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | cis | 177.7 | 163 | -22.9 | -105.1 | -36.7 | 0 | 0 | 0 | 104.4 | ||||
| 502 | E | 30.8 | Very low | 30.3 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | 78.1 | 104.7 | 160.2 | -69.1 | -169.6 | -176.6 | 0 | 0 | 121.6 | ||||
| 503 | D | 28.1 | Very low | 29.9 | Very low | 136 Ų | 136 | 150.7 Ų | 150.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | 64.5 | 123.5 | 111.5 | -61.4 | -17.7 | 0 | 0 | 0 | 123.3 | |||||
| 504 | D | 27.1 | Very low | 29.9 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | 55.4 | 113.2 | 144.6 | -74.2 | -20.5 | 0 | 0 | 0 | 120 | ||||
| 505 | I | 30.1 | Very low | 29.6 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | -165.5 | 124 | 113.4 | -89.9 | 148.6 | 0 | 0 | 0 | 110.3 | |||||
| 506 | N | 26.1 | Very low | 29.4 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -70.2 | 122.8 | 168.6 | 177.9 | 24.1 | 0 | 0 | 0 | 111.5 | ||||
| 507 | A | 28.2 | Very low | 29.1 | Very low | 89 Ų | 89 | 146.4 Ų | 146.4 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -165.6 | 119 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 508 | G | 23.5 | Very low | 28.6 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -75.6 | 155.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 509 | T | 28.2 | Very low | 28.5 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | -158.7 | 94.1 | 152.7 | 21.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 510 | E | 25 | Very low | 28.3 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | 25.5 | 123.6 | 116.8 | -156.2 | 163.1 | -149.1 | 0 | 0 | 120 | |||||
| 511 | Y | 26.9 | Very low | 28.4 | Very low | 194 Ų | 194 | 142 Ų | 142 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | 43 | 126.1 | 157 | -59.5 | -64.8 | 0 | 0 | 0 | 122.9 | ||||
| 512 | N | 29.1 | Very low | 28.7 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | -163.4 | 109.8 | 122.8 | -95.4 | -5.1 | 0 | 0 | 0 | 110.4 | |||||
| 513 | E | 28.6 | Very low | 29.4 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -78.8 | 139.4 | 154.7 | -72.3 | 178.4 | 145.8 | 0 | 0 | 108.2 | ||||
| 514 | E | 32.3 | Very low | 29.3 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 57% | 0.565 | 79% | 0.794 | S | S | * | * | trans | -154 | 139.8 | 141.9 | -79.9 | -148.7 | 143.6 | 0 | 0 | 111.4 | ||||
| 515 | N | 29.4 | Very low | 29.3 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -73.3 | 159.6 | -171.1 | -80.9 | -48.8 | 0 | 0 | 0 | 115.4 | ||||
| 516 | A | 30.7 | Very low | 29 | Very low | 106 Ų | 106 | 140 Ų | 140 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | -162.4 | 124.2 | 129.9 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 517 | C | 26 | Very low | 29 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -99.3 | 177.4 | 177 | -169.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 518 | S | 26.9 | Very low | 29.2 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | 98.2 | 136.4 | 171.3 | -25.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 519 | D | 27.8 | Very low | 29.4 | Very low | 146 Ų | 146 | 149 Ų | 149 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | cis | -167.4 | 167.2 | 16.8 | -133.7 | -15.9 | 0 | 0 | 0 | 111.5 | ||||
| 520 | E | 27.2 | Very low | 29.3 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -46.8 | 153.8 | -172.5 | -60.7 | 176.1 | 142.1 | 0 | 0 | 120.3 | ||||
| 521 | S | 35.5 | Very low | 29.4 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | trans | -171.9 | 110.4 | 140.3 | -74.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 522 | N | 36 | Very low | 29.4 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -69.2 | 162.3 | 156.4 | -131.4 | -7.3 | 0 | 0 | 0 | 109.1 | ||||
| 523 | P | 44.6 | Very low | 29.3 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | cis | -152.2 | 159.2 | 40.8 | 38.2 | -14.3 | 0 | 0 | 0 | 118.9 | ||||
| 524 | E | 26.3 | Very low | 29.3 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | 26.3 | 121 | 126.4 | -118.3 | 173.2 | -162.9 | 0 | 0 | 121.5 | |||||
| 525 | L | 25.9 | Very low | 29 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | 159.4 | 131 | 112.9 | -90.1 | 178.1 | 0 | 0 | 0 | 115.6 | |||||
| 526 | L | 24.5 | Very low | 28.9 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | 80.6 | 100.7 | 133.7 | -146.2 | 72.4 | 0 | 0 | 0 | 121.4 | ||||
| 527 | N | 25.7 | Very low | 28.8 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | 63 | 103.3 | 121.9 | -144.6 | 22.1 | 0 | 0 | 0 | 119.9 | |||||
| 528 | K | 32.1 | Very low | 29.3 | Very low | 202 Ų | 202 | 150.8 Ų | 150.8 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | trans | -147.9 | 83.4 | 156.5 | -102.5 | -178.5 | -179.7 | 175.8 | 0 | 110.7 | ||||
| 529 | Q | 28.8 | Very low | 29.7 | Very low | 174 Ų | 174 | 153.7 Ų | 153.7 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -85.8 | 106 | 152.4 | -73.9 | 177.5 | -31.7 | 0 | 0 | 105.9 | ||||
| 530 | I | 26.2 | Very low | 30.3 | Very low | 156 Ų | 156 | 153.1 Ų | 153.1 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | 47 | 96.8 | 89.4 | -49.9 | 177.9 | 0 | 0 | 0 | 112.1 | |||||
| 531 | S | 27.8 | Very low | 31.5 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -145.4 | 112.8 | 161.6 | 165.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 532 | E | 25.3 | Very low | 32.3 | Very low | 186 Ų | 186 | 149 Ų | 149 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -78.3 | 164.2 | 177.5 | -64.1 | 174.2 | 137.2 | 0 | 0 | 112.4 | ||||
| 533 | G | 27.8 | Very low | 33.2 | Very low | 68 Ų | 68 | 145.9 Ų | 145.9 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 127.1 | 90.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 534 | E | 29 | Very low | 33.7 | Very low | 175 Ų | 175 | 145.7 Ų | 145.7 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | 116 | 123.4 | 67.8 | -100 | -171.5 | 171.4 | 0 | 0 | 109.7 | |||||
| 535 | L | 25.2 | Very low | 35.2 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | trans | 55 | 129 | 142.3 | -57.9 | 160.7 | 0 | 0 | 0 | 118.2 | ||||
| 536 | E | 27.8 | Very low | 37 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | -164.6 | 147.8 | 59.5 | -74.3 | -178.1 | 152.8 | 0 | 0 | 113.2 | |||||
| 537 | Q | 29 | Very low | 39 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | trans | 44.7 | 112 | 141.1 | -65.5 | 175.2 | 15 | 0 | 0 | 121.4 | ||||
| 538 | E | 35.3 | Very low | 41 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 89% | 0.893 | 72% | 0.722 | S | S | * | * | trans | -150.6 | 138.4 | 141 | -115.1 | 171.2 | -171.8 | 0 | 0 | 110.5 | ||||
| 539 | N | 37 | Very low | 42.8 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 88% | 0.882 | 71% | 0.713 | S | S | * | * | trans | -88.2 | 106.4 | -166.6 | -69.2 | -52.3 | 0 | 0 | 0 | 111.4 | ||||
| 540 | D | 39.8 | Very low | 44.9 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | -117.4 | 144.9 | 173.4 | -77.6 | -30.6 | 0 | 0 | 0 | 113 | ||||
| 541 | S | 51.3 | Low | 47.2 | Very low | 69 Ų | 69 | 137.2 Ų | 137.2 | 48% | 0.483 | 70% | 0.696 | S | S | . | * | trans | -62.5 | 146.7 | -163.9 | 77 | 0 | 0 | 0 | 0 | 115.9 | T543 D544 | S541-T543 PolarHBondContact O-N 3.09Å; S541-D544 PolarHBondContact O-N 2.99Å; S541-D544 VanDerWaalsContact O-N 3.15Å | ||
| 542 | I | 52.8 | Low | 49.3 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -51 | -33.5 | -170.6 | -73.8 | 169 | 0 | 0 | 0 | 114.5 | L545 E546 | I542-L545 PolarHBondContact O-N 3.32Å; I542-E546 PolarHBondContact O-N 2.73Å |
| 543 | T | 55.9 | Low | 51.8 | Low | 90 Ų | 90 | 134 Ų | 134 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -73.4 | -32.1 | -176.3 | 46 | 0 | 0 | 0 | 0 | 113.6 | S541 N547 | S541-T543 PolarHBondContact O-N 3.09Å; T543-N547 PolarHBondContact O-N 3.38Å |
| 544 | D | 54.5 | Low | 54 | Low | 107 Ų | 107 | 138.7 Ų | 138.7 | 57% | 0.572 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75.1 | -31.4 | 175.3 | -76.5 | -28.8 | 0 | 0 | 0 | 111.5 | S541 E546 K548 | S541-D544 PolarHBondContact O-N 2.99Å; S541-D544 VanDerWaalsContact O-N 3.15Å; D544-E546 VanDerWaalsContact C-N 3.35Å; D544-E546 PolarHBondContact O-N 3.3Å; D544-K548 VanDerWaalsContact O-CB 3.27Å; D544-K548 WeakPolarHBondContact O-CB 3.44Å; D544-K548 PolarHBondContact O-N 3.27Å |
| 545 | L | 57.2 | Low | 56.1 | Low | 104 Ų | 104 | 133.8 Ų | 133.8 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63.7 | -39.6 | 174.7 | -121 | 95.1 | 0 | 0 | 0 | 112.3 | I542 K548 R549 | I542-L545 PolarHBondContact O-N 3.32Å; L545-K548 PolarHBondContact O-N 2.96Å; L545-R549 PolarHBondContact O-N 2.9Å |
| 546 | E | 64.1 | Low | 58.6 | Low | 124 Ų | 124 | 131.6 Ų | 131.6 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.2 | -44 | -177.3 | -156.9 | 157.5 | -148.8 | 0 | 0 | 111.5 | I542 D544 K548 R549 I550 | I542-E546 PolarHBondContact O-N 2.73Å; D544-E546 VanDerWaalsContact C-N 3.35Å; D544-E546 PolarHBondContact O-N 3.3Å; E546-K548 VanDerWaalsContact C-N 3.31Å; E546-K548 PolarHBondContact O-N 3.2Å; E546-R549 WeakPolarHBondContact O-CB 3.43Å; E546-R549 PolarHBondContact O-N 2.98Å; E546-R549 VanDerWaalsContact O-N 3.13Å; E546-I550 WeakPolarHBondContact O-CG1 3.26Å; E546-I550 PolarHBondContact O-N 3.43Å |
| 547 | N | 65.8 | Low | 61 | Low | 85 Ų | 85 | 131.6 Ų | 131.6 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -62.6 | -36.5 | 172.1 | -78 | -34.9 | 0 | 0 | 0 | 112.5 | T543 I550 R551 | T543-N547 PolarHBondContact O-N 3.38Å; N547-I550 PolarHBondContact O-N 2.58Å; N547-R551 PolarHBondContact O-N 3.44Å; N547-R551 VanDerWaalsContact O-N 3.07Å |
| 548 | K | 67.7 | Low | 63.2 | Low | 158 Ų | 158 | 125.9 Ų | 125.9 | 69% | 0.687 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.6 | -36.9 | 173.8 | -159.2 | 170.6 | -171.7 | 174.4 | 0 | 111.5 | D544 L545 E546 K552 | D544-K548 VanDerWaalsContact O-CB 3.27Å; D544-K548 WeakPolarHBondContact O-CB 3.44Å; D544-K548 PolarHBondContact O-N 3.27Å; L545-K548 PolarHBondContact O-N 2.96Å; E546-K548 VanDerWaalsContact C-N 3.31Å; E546-K548 PolarHBondContact O-N 3.2Å; K548-K552 VanDerWaalsContact O-CB 3.3Å; K548-K552 WeakPolarHBondContact O-CB 3.43Å; K548-K552 PolarHBondContact O-N 3.46Å |
| 549 | R | 70.1 | Confident | 65.1 | Low | 182 Ų | 182 | 118.2 Ų | 118.2 | 69% | 0.687 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.2 | -47.7 | 172.3 | -95.6 | -175.1 | 172.7 | -159.8 | -1 | 112.1 | L545 E546 K552 I553 | L545-R549 PolarHBondContact O-N 2.9Å; E546-R549 WeakPolarHBondContact O-CB 3.43Å; E546-R549 PolarHBondContact O-N 2.98Å; E546-R549 VanDerWaalsContact O-N 3.13Å; R549-K552 PolarHBondContact O-N 2.97Å; R549-I553 VanDerWaalsContact O-CG1 3.3Å; R549-I553 WeakPolarHBondContact O-CG1 3.45Å; R549-I553 PolarHBondContact O-N 3.28Å |
| 550 | I | 73.8 | Confident | 67 | Low | 105 Ų | 105 | 115 Ų | 115 | 54% | 0.538 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.5 | -46 | -179.6 | -66.2 | 169.1 | 0 | 0 | 0 | 110.8 | E546 N547 K552 I553 K554 | E546-I550 WeakPolarHBondContact O-CG1 3.26Å; E546-I550 PolarHBondContact O-N 3.43Å; N547-I550 PolarHBondContact O-N 2.58Å; I550-K552 VanDerWaalsContact C-N 3.33Å; I550-K552 PolarHBondContact O-N 3.15Å; I550-I553 PolarHBondContact O-N 3.38Å; I550-K554 PolarHBondContact O-N 3.06Å |
| 551 | R | 74.7 | Confident | 68.8 | Low | 191 Ų | 191 | 116 Ų | 116 | 72% | 0.721 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.2 | -41.3 | 174.5 | -96.5 | -175.3 | -96.9 | 166.5 | -7.4 | 112.2 | N547 K554 S555 | N547-R551 PolarHBondContact O-N 3.44Å; N547-R551 VanDerWaalsContact O-N 3.07Å; R551-K554 PolarHBondContact O-N 3.16Å; R551-S555 WeakPolarHBondContact O-CB 3.45Å; R551-S555 PolarHBondContact O-N 2.86Å |
| 552 | K | 71.9 | Confident | 69.9 | Low | 147 Ų | 147 | 120 Ų | 120 | 64% | 0.639 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.6 | -39 | 177.3 | -157.1 | 169.2 | -172.6 | 178.1 | 0 | 111.6 | K548 R549 I550 S555 I556 | K548-K552 VanDerWaalsContact O-CB 3.3Å; K548-K552 WeakPolarHBondContact O-CB 3.43Å; K548-K552 PolarHBondContact O-N 3.46Å; R549-K552 PolarHBondContact O-N 2.97Å; I550-K552 VanDerWaalsContact C-N 3.33Å; I550-K552 PolarHBondContact O-N 3.15Å; K552-S555 PolarHBondContact O-N 2.91Å; K552-I556 HydrophobicContact CG-CD1 4.09Å; K552-I556 WeakPolarHBondContact O-CB 3.29Å; K552-I556 WeakPolarHBondContact O-CD1 3.45Å; K552-I556 WeakPolarHBondContact O-CG1 3.2Å; K552-I556 PolarHBondContact O-N 3.2Å |
| 553 | I | 76.7 | Confident | 71.1 | Confident | 94 Ų | 94 | 118.3 Ų | 118.3 | 48% | 0.482 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.3 | -44.6 | 176 | -68.4 | 165.9 | 0 | 0 | 0 | 111.5 | R549 I550 S555 I556 R557 | R549-I553 VanDerWaalsContact O-CG1 3.3Å; R549-I553 WeakPolarHBondContact O-CG1 3.45Å; R549-I553 PolarHBondContact O-N 3.28Å; I550-I553 PolarHBondContact O-N 3.38Å; I553-S555 VanDerWaalsContact C-N 3.33Å; I553-S555 PolarHBondContact O-N 2.97Å; I553-I556 PolarHBondContact O-N 3.2Å; I553-R557 WeakPolarHBondContact O-CB 3.43Å; I553-R557 PolarHBondContact O-N 3.27Å |
| 554 | K | 74.6 | Confident | 72.1 | Confident | 166 Ų | 166 | 120.2 Ų | 120.2 | 72% | 0.722 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.3 | -40.4 | 177 | -168.1 | 173.7 | -178.4 | 177.3 | 0 | 111.3 | I550 R551 R557 S558 | I550-K554 PolarHBondContact O-N 3.06Å; R551-K554 PolarHBondContact O-N 3.16Å; K554-R557 PolarHBondContact O-N 3.42Å; K554-S558 PolarHBondContact O-N 3.14Å; K554-S558 PolarHBondContact O-OG 2.85Å |
| 555 | S | 73.7 | Confident | 73.2 | Confident | 72 Ų | 72 | 122.8 Ų | 122.8 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.4 | -43.7 | 174.6 | -177 | 0 | 0 | 0 | 0 | 112.6 | R551 K552 I553 R557 S558 A559 | R551-S555 WeakPolarHBondContact O-CB 3.45Å; R551-S555 PolarHBondContact O-N 2.86Å; K552-S555 PolarHBondContact O-N 2.91Å; I553-S555 VanDerWaalsContact C-N 3.33Å; I553-S555 PolarHBondContact O-N 2.97Å; S555-R557 PolarHBondContact O-N 2.86Å; S555-S558 PolarHBondContact O-N 3.46Å; S555-S558 PolarHBondContact O-OG 2.98Å; S555-S558 VanDerWaalsContact O-OG 3.06Å; S555-A559 VanDerWaalsContact O-CB 3.28Å; S555-A559 WeakPolarHBondContact O-CB 3.23Å; S555-A559 PolarHBondContact O-N 2.82Å |
| 556 | I | 77.6 | Confident | 74.2 | Confident | 102 Ų | 102 | 120.7 Ų | 120.7 | 52% | 0.523 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.8 | -41.6 | 175.8 | -70.1 | 163.5 | 0 | 0 | 0 | 110.6 | K552 I553 A559 L560 | K552-I556 HydrophobicContact CG-CD1 4.09Å; K552-I556 WeakPolarHBondContact O-CB 3.29Å; K552-I556 WeakPolarHBondContact O-CD1 3.45Å; K552-I556 WeakPolarHBondContact O-CG1 3.2Å; K552-I556 PolarHBondContact O-N 3.2Å; I553-I556 PolarHBondContact O-N 3.2Å; I556-A559 PolarHBondContact O-N 3.28Å; I556-L560 VanDerWaalsContact O-CB 3.27Å; I556-L560 WeakPolarHBondContact O-CB 3.33Å; I556-L560 PolarHBondContact O-N 3.42Å |
| 557 | R | 77.4 | Confident | 74.9 | Confident | 163 Ų | 163 | 123.7 Ų | 123.7 | 62% | 0.615 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66 | -41.6 | 179.2 | -169.2 | -178.7 | -66.5 | 163.8 | -1.3 | 112.2 | I553 K554 S555 L560 K561 | I553-R557 WeakPolarHBondContact O-CB 3.43Å; I553-R557 PolarHBondContact O-N 3.27Å; K554-R557 PolarHBondContact O-N 3.42Å; S555-R557 PolarHBondContact O-N 2.86Å; R557-L560 PolarHBondContact O-N 2.8Å; R557-K561 PolarHBondContact O-N 2.88Å |
| 558 | S | 75.6 | Confident | 75.7 | Confident | 51 Ų | 51 | 128 Ų | 128 | 36% | 0.357 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.9 | -36.8 | 176.3 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | K554 S555 K561 R562 | K554-S558 PolarHBondContact O-N 3.14Å; K554-S558 PolarHBondContact O-OG 2.85Å; S555-S558 PolarHBondContact O-N 3.46Å; S555-S558 PolarHBondContact O-OG 2.98Å; S555-S558 VanDerWaalsContact O-OG 3.06Å; S558-K561 PolarHBondContact O-N 2.87Å; S558-R562 PolarHBondContact O-N 2.9Å |
| 559 | A | 75.4 | Confident | 76.4 | Confident | 30 Ų | 30 | 123.5 Ų | 123.5 | 25% | 0.248 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -64.3 | -39.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S555 I556 R562 N563 | S555-A559 VanDerWaalsContact O-CB 3.28Å; S555-A559 WeakPolarHBondContact O-CB 3.23Å; S555-A559 PolarHBondContact O-N 2.82Å; I556-A559 PolarHBondContact O-N 3.28Å; A559-R562 PolarHBondContact O-N 3.46Å; A559-N563 WeakPolarHBondContact O-CB 3.41Å; A559-N563 PolarHBondContact O-N 2.84Å; A559-N563 PolarHBondContact O-ND2 2.87Å |
| 560 | L | 76.4 | Confident | 76.9 | Confident | 98 Ų | 98 | 119.8 Ų | 119.8 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.3 | -41.1 | 177.1 | -168.6 | 68.5 | 0 | 0 | 0 | 111.9 | I556 R557 N563 H564 | I556-L560 VanDerWaalsContact O-CB 3.27Å; I556-L560 WeakPolarHBondContact O-CB 3.33Å; I556-L560 PolarHBondContact O-N 3.42Å; R557-L560 PolarHBondContact O-N 2.8Å; L560-N563 PolarHBondContact O-N 2.96Å; L560-H564 PolarHBondContact O-CD2 2.97Å; L560-H564 PolarHBondContact O-N 3.23Å |
| 561 | K | 77.9 | Confident | 77.2 | Confident | 156 Ų | 156 | 119 Ų | 119 | 68% | 0.678 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.9 | -45.7 | 172.8 | -77.8 | -170.2 | 176.3 | -169.9 | 0 | 111.8 | R557 S558 N563 H564 Y565 | R557-K561 PolarHBondContact O-N 2.88Å; S558-K561 PolarHBondContact O-N 2.87Å; K561-N563 PolarHBondContact O-N 3.36Å; K561-H564 PolarHBondContact O-N 3.46Å; K561-Y565 PolarHBondContact O-N 2.91Å |
| 562 | R | 75.2 | Confident | 77.6 | Confident | 152 Ų | 152 | 115.6 Ų | 115.6 | 57% | 0.574 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60 | -43.8 | 174.7 | -82.8 | -177.5 | -80.3 | 107.9 | -1 | 111.8 | S558 A559 H564 Y565 S566 | S558-R562 PolarHBondContact O-N 2.9Å; A559-R562 PolarHBondContact O-N 3.46Å; R562-H564 PolarHBondContact O-N 3.47Å; R562-Y565 PolarHBondContact O-N 3.4Å; R562-S566 PolarHBondContact O-N 3.27Å; R562-S566 PolarHBondContact O-OG 2.85Å |
| 563 | N | 76.8 | Confident | 78.3 | Confident | 107 Ų | 107 | 113.4 Ų | 113.4 | 57% | 0.572 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 175 | -88.6 | -38.2 | 0 | 0 | 0 | 112.9 | A559 L560 K561 Y565 R567 | A559-N563 WeakPolarHBondContact O-CB 3.41Å; A559-N563 PolarHBondContact O-N 2.84Å; A559-N563 PolarHBondContact O-ND2 2.87Å; L560-N563 PolarHBondContact O-N 2.96Å; K561-N563 PolarHBondContact O-N 3.36Å; N563-Y565 VanDerWaalsContact C-N 3.34Å; N563-R567 VanDerWaalsContact O-CB 3.25Å; N563-R567 WeakPolarHBondContact O-CB 3.24Å; N563-R567 PolarHBondContact O-N 3.33Å |
| 564 | H | 78 | Confident | 78.7 | Confident | 130 Ų | 130 | 116.2 Ų | 116.2 | 60% | 0.602 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.1 | -41.5 | 174.9 | -95.4 | -73.6 | 0 | 0 | 0 | 112.2 | L560 K561 R562 R568 | L560-H564 PolarHBondContact O-CD2 2.97Å; L560-H564 PolarHBondContact O-N 3.23Å; K561-H564 PolarHBondContact O-N 3.46Å; R562-H564 PolarHBondContact O-N 3.47Å; H564-R568 WeakPolarHBondContact O-CB 3.49Å; H564-R568 PolarHBondContact O-N 3.24Å |
| 565 | Y | 77.2 | Confident | 79.3 | Confident | 161 Ų | 161 | 111.6 Ų | 111.6 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -49.1 | 177 | -167.1 | -99.5 | 0 | 0 | 0 | 111.4 | K561 R562 N563 R567 R568 I569 | K561-Y565 PolarHBondContact O-N 2.91Å; R562-Y565 PolarHBondContact O-N 3.4Å; N563-Y565 VanDerWaalsContact C-N 3.34Å; Y565-R567 VanDerWaalsContact C-N 3.33Å; Y565-R567 PolarHBondContact O-N 3.46Å; Y565-R568 PolarHBondContact O-N 3.09Å; Y565-R568 VanDerWaalsContact O-N 3.15Å; Y565-I569 HydrophobicContact CD1-CD1 3.82Å; Y565-I569 HydrophobicContact CE1-CD1 3.38Å; Y565-I569 HydrophobicContact CE1-CG1 4.3Å; Y565-I569 PolarHBondContact O-N 3.05Å; Y565-I569 VanDerWaalsContact O-N 3.12Å |
| 566 | S | 78.5 | Confident | 80 | Confident | 61 Ų | 61 | 111.8 Ų | 111.8 | 43% | 0.427 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.5 | -41 | 175.8 | -62 | 0 | 0 | 0 | 0 | 112.5 | R562 R568 I569 I570 | R562-S566 PolarHBondContact O-N 3.27Å; R562-S566 PolarHBondContact O-OG 2.85Å; S566-R568 VanDerWaalsContact C-N 3.32Å; S566-R568 PolarHBondContact O-N 3.45Å; S566-I569 PolarHBondContact O-N 3.45Å; S566-I570 VanDerWaalsContact O-CG1 3.3Å; S566-I570 WeakPolarHBondContact O-CG1 3.36Å; S566-I570 PolarHBondContact O-N 2.89Å |
| 567 | R | 78.7 | Confident | 80.3 | Confident | 187 Ų | 187 | 114.5 Ų | 114.5 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.3 | -33.7 | 177.4 | -164.8 | 176.6 | -163.5 | -135.2 | 1.2 | 112.5 | N563 Y565 Q571 | N563-R567 VanDerWaalsContact O-CB 3.25Å; N563-R567 WeakPolarHBondContact O-CB 3.24Å; N563-R567 PolarHBondContact O-N 3.33Å; Y565-R567 VanDerWaalsContact C-N 3.33Å; Y565-R567 PolarHBondContact O-N 3.46Å; R567-Q571 WeakPolarHBondContact O-CB 3.47Å; R567-Q571 PolarHBondContact O-N 3.15Å |
| 568 | R | 82.9 | Confident | 80.8 | Confident | 174 Ų | 174 | 111.9 Ų | 111.9 | 66% | 0.657 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.2 | -41.4 | 177.1 | -172.5 | 176.4 | 176.7 | 142.4 | -1.3 | 111.9 | H564 Y565 S566 Q571 Q572 | H564-R568 WeakPolarHBondContact O-CB 3.49Å; H564-R568 PolarHBondContact O-N 3.24Å; Y565-R568 PolarHBondContact O-N 3.09Å; Y565-R568 VanDerWaalsContact O-N 3.15Å; S566-R568 VanDerWaalsContact C-N 3.32Å; S566-R568 PolarHBondContact O-N 3.45Å; R568-Q571 PolarHBondContact O-N 3.09Å; R568-Q572 PolarHBondContact O-N 3.35Å; R568-Q572 VanDerWaalsContact O-N 3.08Å |
| 569 | I | 82 | Confident | 81.5 | Confident | 64 Ų | 64 | 114.6 Ų | 114.6 | 33% | 0.328 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -49.6 | 175.1 | -67 | 177.5 | 0 | 0 | 0 | 110.1 | Y565 S566 Q571 Q572 E573 | Y565-I569 HydrophobicContact CD1-CD1 3.82Å; Y565-I569 HydrophobicContact CE1-CD1 3.38Å; Y565-I569 HydrophobicContact CE1-CG1 4.3Å; Y565-I569 PolarHBondContact O-N 3.05Å; Y565-I569 VanDerWaalsContact O-N 3.12Å; S566-I569 PolarHBondContact O-N 3.45Å; I569-Q571 VanDerWaalsContact C-N 3.26Å; I569-Q571 PolarHBondContact O-N 3.28Å; I569-Q572 PolarHBondContact O-N 3.46Å; I569-Q572 VanDerWaalsContact O-N 3.07Å; I569-E573 PolarHBondContact O-N 3.01Å |
| 570 | I | 79.7 | Confident | 82.2 | Confident | 104 Ų | 104 | 117.7 Ų | 117.7 | 53% | 0.533 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.4 | -38.4 | 178.4 | -66.3 | 166 | 0 | 0 | 0 | 111.3 | S566 E573 W574 | S566-I570 VanDerWaalsContact O-CG1 3.3Å; S566-I570 WeakPolarHBondContact O-CG1 3.36Å; S566-I570 PolarHBondContact O-N 2.89Å; I570-E573 PolarHBondContact O-N 3.39Å; I570-W574 VanDerWaalsContact O-CB 3.29Å; I570-W574 WeakPolarHBondContact O-CB 3.34Å; I570-W574 PolarHBondContact O-N 3.01Å |
| 571 | Q | 79.9 | Confident | 82.7 | Confident | 90 Ų | 90 | 117.2 Ų | 117.2 | 42% | 0.421 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -37.8 | 177.1 | -169.3 | 67.3 | 49 | 0 | 0 | 112.4 | R567 R568 I569 W574 N575 | R567-Q571 WeakPolarHBondContact O-CB 3.47Å; R567-Q571 PolarHBondContact O-N 3.15Å; R568-Q571 PolarHBondContact O-N 3.09Å; I569-Q571 VanDerWaalsContact C-N 3.26Å; I569-Q571 PolarHBondContact O-N 3.28Å; Q571-W574 PolarHBondContact O-N 2.94Å; Q571-N575 PolarHBondContact NE2-OD1 3.5Å; Q571-N575 WeakPolarHBondContact O-CB 3.29Å; Q571-N575 PolarHBondContact O-N 3.49Å; Q571-N575 PolarHBondContact O-OD1 2.78Å |
| 572 | Q | 84.1 | Confident | 83.4 | Confident | 119 Ų | 119 | 116.1 Ų | 116.1 | 56% | 0.556 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.5 | -43 | 175.5 | -76.4 | 179.9 | -30.4 | 0 | 0 | 111.5 | R568 I569 N575 S576 | R568-Q572 PolarHBondContact O-N 3.35Å; R568-Q572 VanDerWaalsContact O-N 3.08Å; I569-Q572 PolarHBondContact O-N 3.46Å; I569-Q572 VanDerWaalsContact O-N 3.07Å; Q572-N575 PolarHBondContact O-N 3.18Å; Q572-S576 WeakPolarHBondContact O-CB 3.4Å; Q572-S576 PolarHBondContact O-N 2.79Å |
| 573 | E | 87.3 | Confident | 84.1 | Confident | 100 Ų | 100 | 113.9 Ų | 113.9 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 173.7 | -69.7 | 174.4 | 174 | 0 | 0 | 111 | I569 I570 N575 S576 Y577 | I569-E573 PolarHBondContact O-N 3.01Å; I570-E573 PolarHBondContact O-N 3.39Å; E573-N575 PolarHBondContact O-N 2.92Å; E573-S576 WeakPolarHBondContact O-CB 3.36Å; E573-S576 PolarHBondContact O-N 2.98Å; E573-S576 VanDerWaalsContact O-N 3.16Å; E573-Y577 HydrophobicContact CB-CD2 4.48Å; E573-Y577 HydrophobicContact CB-CE2 4.2Å; E573-Y577 WeakPolarHBondContact O-CD2 3.36Å; E573-Y577 PolarHBondContact O-N 3.3Å |
| 574 | W | 85 | Confident | 84.6 | Confident | 154 Ų | 154 | 112.2 Ų | 112.2 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 179.5 | -157.9 | 73.2 | 0 | 0 | 0 | 112.4 | I570 Q571 S576 Y577 E578 | I570-W574 VanDerWaalsContact O-CB 3.29Å; I570-W574 WeakPolarHBondContact O-CB 3.34Å; I570-W574 PolarHBondContact O-N 3.01Å; Q571-W574 PolarHBondContact O-N 2.94Å; W574-S576 VanDerWaalsContact C-N 3.34Å; W574-Y577 PolarHBondContact O-N 3.1Å; W574-E578 WeakPolarHBondContact O-CB 3.5Å; W574-E578 PolarHBondContact O-N 3.44Å |
| 575 | N | 86.6 | Confident | 85.1 | Confident | 68 Ų | 68 | 109.9 Ų | 109.9 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 173.9 | -67.2 | 3.6 | 0 | 0 | 0 | 111.3 | Q571 Q572 E573 Y577 E578 D579 | Q571-N575 PolarHBondContact NE2-OD1 3.5Å; Q571-N575 WeakPolarHBondContact O-CB 3.29Å; Q571-N575 PolarHBondContact O-N 3.49Å; Q571-N575 PolarHBondContact O-OD1 2.78Å; Q572-N575 PolarHBondContact O-N 3.18Å; E573-N575 PolarHBondContact O-N 2.92Å; N575-Y577 VanDerWaalsContact C-N 3.34Å; N575-Y577 PolarHBondContact O-N 3.4Å; N575-E578 PolarHBondContact O-N 3.25Å; N575-D579 WeakPolarHBondContact O-CB 3.34Å; N575-D579 PolarHBondContact O-N 3.1Å |
| 576 | S | 87.4 | Confident | 85.9 | Confident | 76 Ų | 76 | 106.8 Ų | 106.8 | 53% | 0.531 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -39 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | Q572 E573 W574 H580 | Q572-S576 WeakPolarHBondContact O-CB 3.4Å; Q572-S576 PolarHBondContact O-N 2.79Å; E573-S576 WeakPolarHBondContact O-CB 3.36Å; E573-S576 PolarHBondContact O-N 2.98Å; E573-S576 VanDerWaalsContact O-N 3.16Å; W574-S576 VanDerWaalsContact C-N 3.34Å; S576-H580 WeakPolarHBondContact O-CB 3.41Å; S576-H580 PolarHBondContact O-N 3Å |
| 577 | Y | 85.6 | Confident | 86.5 | Confident | 160 Ų | 160 | 108.5 Ų | 108.5 | 63% | 0.627 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.1 | -37.1 | 174.2 | -71 | -60.7 | 0 | 0 | 0 | 111.9 | E573 W574 N575 H580 V581 | E573-Y577 HydrophobicContact CB-CD2 4.48Å; E573-Y577 HydrophobicContact CB-CE2 4.2Å; E573-Y577 WeakPolarHBondContact O-CD2 3.36Å; E573-Y577 PolarHBondContact O-N 3.3Å; W574-Y577 PolarHBondContact O-N 3.1Å; N575-Y577 VanDerWaalsContact C-N 3.34Å; N575-Y577 PolarHBondContact O-N 3.4Å; Y577-H580 PolarHBondContact O-N 3.31Å; Y577-V581 WeakPolarHBondContact O-CB 3.44Å; Y577-V581 VanDerWaalsContact O-CG2 3.24Å; Y577-V581 WeakPolarHBondContact O-CG2 3.4Å; Y577-V581 PolarHBondContact O-N 3.36Å |
| 578 | E | 87.5 | Confident | 86.9 | Confident | 108 Ų | 108 | 104.2 Ų | 104.2 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65 | -44 | 176.1 | -171.8 | 169.2 | -156.2 | 0 | 0 | 111.7 | W574 N575 V581 K582 | W574-E578 WeakPolarHBondContact O-CB 3.5Å; W574-E578 PolarHBondContact O-N 3.44Å; N575-E578 PolarHBondContact O-N 3.25Å; E578-V581 PolarHBondContact O-N 3.4Å; E578-K582 WeakPolarHBondContact O-CB 3.34Å; E578-K582 PolarHBondContact O-N 3.46Å |
| 579 | D | 89.8 | Confident | 87.3 | Confident | 108 Ų | 108 | 100 Ų | 100 | 58% | 0.578 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 174.4 | -73.2 | -27.8 | 0 | 0 | 0 | 111.3 | N575 K582 E583 | N575-D579 WeakPolarHBondContact O-CB 3.34Å; N575-D579 PolarHBondContact O-N 3.1Å; D579-K582 WeakPolarHBondContact O-CB 3.44Å; D579-K582 PolarHBondContact O-N 2.97Å; D579-E583 WeakPolarHBondContact O-CB 3.28Å; D579-E583 PolarHBondContact O-N 3.07Å |
| 580 | H | 89.1 | Confident | 87.6 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 177.2 | -172.2 | 54.9 | 0 | 0 | 0 | 112.7 | S576 Y577 K582 E583 L584 | S576-H580 WeakPolarHBondContact O-CB 3.41Å; S576-H580 PolarHBondContact O-N 3Å; Y577-H580 PolarHBondContact O-N 3.31Å; H580-K582 VanDerWaalsContact C-N 3.29Å; H580-K582 PolarHBondContact O-N 3.18Å; H580-E583 IonicContact ND1-OE2 3.75Å; H580-E583 PolarHBondContact O-N 2.91Å; H580-L584 WeakPolarHBondContact O-CB 3.28Å; H580-L584 WeakPolarHBondContact O-CG 3.14Å; H580-L584 PolarHBondContact O-N 3.5Å |
| 581 | V | 88.3 | Confident | 87.9 | Confident | 89 Ų | 89 | 103.2 Ų | 103.2 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 174.1 | 167.7 | 0 | 0 | 0 | 0 | 111 | Y577 E578 T585 | Y577-V581 WeakPolarHBondContact O-CB 3.44Å; Y577-V581 VanDerWaalsContact O-CG2 3.24Å; Y577-V581 WeakPolarHBondContact O-CG2 3.4Å; Y577-V581 PolarHBondContact O-N 3.36Å; E578-V581 PolarHBondContact O-N 3.4Å; V581-T585 WeakPolarHBondContact O-CB 3.42Å; V581-T585 PolarHBondContact O-N 2.88Å; V581-T585 PolarHBondContact O-OG1 3.46Å |
| 582 | K | 91.6 | Very high | 88.2 | Confident | 132 Ų | 132 | 105.8 Ų | 105.8 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.9 | -46.4 | 175.5 | -172.9 | -173.5 | 170.7 | -149.1 | 0 | 111.5 | E578 D579 H580 L584 T585 D586 | E578-K582 WeakPolarHBondContact O-CB 3.34Å; E578-K582 PolarHBondContact O-N 3.46Å; D579-K582 WeakPolarHBondContact O-CB 3.44Å; D579-K582 PolarHBondContact O-N 2.97Å; H580-K582 VanDerWaalsContact C-N 3.29Å; H580-K582 PolarHBondContact O-N 3.18Å; K582-L584 PolarHBondContact O-N 3.04Å; K582-T585 WeakPolarHBondContact O-CA 3.45Å; K582-T585 WeakPolarHBondContact O-CB 3.41Å; K582-T585 PolarHBondContact O-N 2.62Å; K582-D586 PolarHBondContact O-N 2.88Å |
| 583 | E | 91.2 | Very high | 88.5 | Confident | 106 Ų | 106 | 104 Ų | 104 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.1 | -49.1 | 175.3 | -176.2 | 175 | -147.1 | 0 | 0 | 111.4 | D579 H580 T585 D586 E587 | D579-E583 WeakPolarHBondContact O-CB 3.28Å; D579-E583 PolarHBondContact O-N 3.07Å; H580-E583 IonicContact ND1-OE2 3.75Å; H580-E583 PolarHBondContact O-N 2.91Å; E583-T585 PolarHBondContact O-N 3.32Å; E583-D586 PolarHBondContact O-N 2.91Å; E583-D586 VanDerWaalsContact O-N 3.14Å; E583-E587 WeakPolarHBondContact O-CG 3.43Å; E583-E587 PolarHBondContact O-N 3.48Å |
| 584 | L | 86.3 | Confident | 88.4 | Confident | 71 Ų | 71 | 102.9 Ų | 102.9 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -31.5 | 175 | -72.8 | 173.2 | 0 | 0 | 0 | 112.9 | H580 K582 I588 | H580-L584 WeakPolarHBondContact O-CB 3.28Å; H580-L584 WeakPolarHBondContact O-CG 3.14Å; H580-L584 PolarHBondContact O-N 3.5Å; K582-L584 PolarHBondContact O-N 3.04Å; L584-I588 WeakPolarHBondContact O-CB 3.39Å; L584-I588 WeakPolarHBondContact O-CD1 3.4Å; L584-I588 WeakPolarHBondContact O-CG1 3.26Å; L584-I588 PolarHBondContact O-N 3.42Å; L584-I588 VanDerWaalsContact O-N 3.07Å |
| 585 | T | 89.4 | Confident | 88.2 | Confident | 81 Ų | 81 | 100.2 Ų | 100.2 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.4 | -41.9 | 176.4 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | V581 K582 E583 I588 E589 | V581-T585 WeakPolarHBondContact O-CB 3.42Å; V581-T585 PolarHBondContact O-N 2.88Å; V581-T585 PolarHBondContact O-OG1 3.46Å; K582-T585 WeakPolarHBondContact O-CA 3.45Å; K582-T585 WeakPolarHBondContact O-CB 3.41Å; K582-T585 PolarHBondContact O-N 2.62Å; E583-T585 PolarHBondContact O-N 3.32Å; T585-I588 PolarHBondContact O-N 2.94Å; T585-E589 PolarHBondContact O-N 2.91Å |
| 586 | D | 92.3 | Very high | 88.3 | Confident | 96 Ų | 96 | 100.7 Ų | 100.7 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 176.8 | -69.6 | -20.1 | 0 | 0 | 0 | 110.8 | K582 E583 I588 E589 E590 | K582-D586 PolarHBondContact O-N 2.88Å; E583-D586 PolarHBondContact O-N 2.91Å; E583-D586 VanDerWaalsContact O-N 3.14Å; D586-I588 PolarHBondContact O-N 3.17Å; D586-E589 PolarHBondContact O-N 3.11Å; D586-E590 PolarHBondContact O-N 3.43Å |
| 587 | E | 91 | Very high | 88.2 | Confident | 98 Ų | 98 | 102.1 Ų | 102.1 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 173.8 | -73.9 | -178.5 | -169.2 | 0 | 0 | 112.3 | E583 E589 E590 V591 | E583-E587 WeakPolarHBondContact O-CG 3.43Å; E583-E587 PolarHBondContact O-N 3.48Å; E587-E589 VanDerWaalsContact C-N 3.32Å; E587-E589 PolarHBondContact O-N 3.05Å; E587-E590 PolarHBondContact O-N 2.97Å; E587-V591 WeakPolarHBondContact O-CB 3.04Å; E587-V591 VanDerWaalsContact O-CG2 3.28Å; E587-V591 WeakPolarHBondContact O-CG2 3.48Å; E587-V591 PolarHBondContact O-N 3.32Å |
| 588 | I | 88 | Confident | 88.1 | Confident | 96 Ų | 96 | 96.2 Ų | 96.2 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 177.1 | -73.6 | 167.5 | 0 | 0 | 0 | 111 | L584 T585 D586 R592 | L584-I588 WeakPolarHBondContact O-CB 3.39Å; L584-I588 WeakPolarHBondContact O-CD1 3.4Å; L584-I588 WeakPolarHBondContact O-CG1 3.26Å; L584-I588 PolarHBondContact O-N 3.42Å; L584-I588 VanDerWaalsContact O-N 3.07Å; T585-I588 PolarHBondContact O-N 2.94Å; D586-I588 PolarHBondContact O-N 3.17Å; I588-R592 VanDerWaalsContact O-CG 3.26Å; I588-R592 WeakPolarHBondContact O-CG 3.34Å; I588-R592 PolarHBondContact O-N 3.1Å |
| 589 | E | 91 | Very high | 87.9 | Confident | 87 Ų | 87 | 96.9 Ų | 96.9 | 41% | 0.407 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.1 | -40.1 | 177.5 | -177.4 | 54.1 | -150.8 | 0 | 0 | 111.6 | T585 D586 E587 R592 Q593 | T585-E589 PolarHBondContact O-N 2.91Å; D586-E589 PolarHBondContact O-N 3.11Å; E587-E589 VanDerWaalsContact C-N 3.32Å; E587-E589 PolarHBondContact O-N 3.05Å; E589-R592 WeakPolarHBondContact O-CB 3.42Å; E589-R592 PolarHBondContact O-N 3.41Å; E589-Q593 WeakPolarHBondContact O-CG 3.33Å; E589-Q593 PolarHBondContact O-N 3.5Å; E589-Q593 PolarHBondContact OE1-NE2 3.32Å |
| 590 | E | 88.9 | Confident | 87.7 | Confident | 133 Ų | 133 | 97.2 Ų | 97.2 | 62% | 0.621 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.6 | -46.3 | 173.1 | -174.7 | 172.9 | -172.9 | 0 | 0 | 111.5 | D586 E587 R592 Q593 E594 | D586-E590 PolarHBondContact O-N 3.43Å; E587-E590 PolarHBondContact O-N 2.97Å; E590-R592 VanDerWaalsContact C-N 3.3Å; E590-R592 PolarHBondContact O-N 3.43Å; E590-Q593 PolarHBondContact O-N 3.08Å; E590-E594 WeakPolarHBondContact O-CB 3.26Å; E590-E594 PolarHBondContact O-N 3Å |
| 591 | V | 85.2 | Confident | 87.5 | Confident | 102 Ų | 102 | 99.2 Ų | 99.2 | 62% | 0.618 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.4 | -36.2 | 176.3 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | E587 E594 L595 | E587-V591 WeakPolarHBondContact O-CB 3.04Å; E587-V591 VanDerWaalsContact O-CG2 3.28Å; E587-V591 WeakPolarHBondContact O-CG2 3.48Å; E587-V591 PolarHBondContact O-N 3.32Å; V591-E594 PolarHBondContact O-N 3.44Å; V591-L595 VanDerWaalsContact O-CB 3.31Å; V591-L595 WeakPolarHBondContact O-CB 3.24Å; V591-L595 PolarHBondContact O-N 3.46Å |
| 592 | R | 87.7 | Confident | 87.2 | Confident | 143 Ų | 143 | 100.4 Ų | 100.4 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 174.8 | -76.8 | 172.7 | 179.9 | -147.8 | 3.2 | 112.3 | I588 E589 E590 L595 T596 | I588-R592 VanDerWaalsContact O-CG 3.26Å; I588-R592 WeakPolarHBondContact O-CG 3.34Å; I588-R592 PolarHBondContact O-N 3.1Å; E589-R592 WeakPolarHBondContact O-CB 3.42Å; E589-R592 PolarHBondContact O-N 3.41Å; E590-R592 VanDerWaalsContact C-N 3.3Å; E590-R592 PolarHBondContact O-N 3.43Å; R592-L595 PolarHBondContact O-N 2.94Å; R592-T596 PolarHBondContact O-N 3.35Å; R592-T596 PolarHBondContact O-OG1 3.12Å |
| 593 | Q | 90.4 | Very high | 86.9 | Confident | 82 Ų | 82 | 99.2 Ų | 99.2 | 38% | 0.383 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | 175.7 | -69.8 | 178.8 | 24.8 | 0 | 0 | 110.9 | E589 E590 L595 T596 R597 | E589-Q593 WeakPolarHBondContact O-CG 3.33Å; E589-Q593 PolarHBondContact O-N 3.5Å; E589-Q593 PolarHBondContact OE1-NE2 3.32Å; E590-Q593 PolarHBondContact O-N 3.08Å; Q593-L595 VanDerWaalsContact C-N 3.35Å; Q593-L595 PolarHBondContact O-N 3.28Å; Q593-T596 WeakPolarHBondContact O-CB 3.45Å; Q593-T596 PolarHBondContact O-N 2.98Å; Q593-T596 VanDerWaalsContact O-N 3.15Å; Q593-R597 WeakPolarHBondContact O-CG 3.41Å; Q593-R597 PolarHBondContact O-N 3.28Å |
| 594 | E | 84.2 | Confident | 86.6 | Confident | 77 Ų | 77 | 99.3 Ų | 99.3 | 36% | 0.36 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.9 | -34.8 | 177.4 | -163.7 | 54.4 | -147.1 | 0 | 0 | 112.2 | E590 V591 T596 R597 A598 R601 | E590-E594 WeakPolarHBondContact O-CB 3.26Å; E590-E594 PolarHBondContact O-N 3Å; V591-E594 PolarHBondContact O-N 3.44Å; E594-T596 VanDerWaalsContact C-N 3.32Å; E594-T596 PolarHBondContact O-N 3.47Å; E594-R597 PolarHBondContact O-N 3.01Å; E594-R597 IonicContact OE2-NH1 3.2Å; E594-R597 PolarHBondContact OE2-NH1 3.37Å; E594-A598 VanDerWaalsContact O-CB 3.29Å; E594-A598 WeakPolarHBondContact O-CB 3.46Å; E594-A598 PolarHBondContact O-N 3.41Å; E594-R601 IonicContact OE1-CZ 3.37Å; E594-R601 IonicContact OE1-NH1 2.66Å; E594-R601 PolarHBondContact OE1-NH1 3.39Å; E594-R601 IonicContact OE1-NH2 2.75Å; E594-R601 PolarHBondContact OE1-NH2 2.87Å |
| 595 | L | 81.5 | Confident | 86.5 | Confident | 97 Ų | 97 | 100.3 Ų | 100.3 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 170.3 | -179.5 | 63.8 | 0 | 0 | 0 | 111.9 | V591 R592 Q593 A598 K599 | V591-L595 VanDerWaalsContact O-CB 3.31Å; V591-L595 WeakPolarHBondContact O-CB 3.24Å; V591-L595 PolarHBondContact O-N 3.46Å; R592-L595 PolarHBondContact O-N 2.94Å; Q593-L595 VanDerWaalsContact C-N 3.35Å; Q593-L595 PolarHBondContact O-N 3.28Å; L595-A598 PolarHBondContact O-N 3.08Å; L595-K599 WeakPolarHBondContact O-CG 3.3Å; L595-K599 PolarHBondContact O-N 3.49Å |
| 596 | T | 87.5 | Confident | 86.4 | Confident | 78 Ų | 78 | 101.6 Ų | 101.6 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 177.6 | -50.3 | 0 | 0 | 0 | 0 | 110.7 | R592 Q593 E594 A598 K599 E600 | R592-T596 PolarHBondContact O-N 3.35Å; R592-T596 PolarHBondContact O-OG1 3.12Å; Q593-T596 WeakPolarHBondContact O-CB 3.45Å; Q593-T596 PolarHBondContact O-N 2.98Å; Q593-T596 VanDerWaalsContact O-N 3.15Å; E594-T596 VanDerWaalsContact C-N 3.32Å; E594-T596 PolarHBondContact O-N 3.47Å; T596-A598 VanDerWaalsContact C-N 3.31Å; T596-A598 PolarHBondContact O-N 2.93Å; T596-K599 PolarHBondContact O-N 2.89Å; T596-E600 PolarHBondContact O-N 2.79Å |
| 597 | R | 85.6 | Confident | 86.2 | Confident | 106 Ų | 106 | 101.8 Ų | 101.8 | 40% | 0.4 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 173 | -66.5 | -178 | -165 | 104.6 | 8.6 | 112 | Q593 E594 E600 R601 | Q593-R597 WeakPolarHBondContact O-CG 3.41Å; Q593-R597 PolarHBondContact O-N 3.28Å; E594-R597 PolarHBondContact O-N 3.01Å; E594-R597 IonicContact OE2-NH1 3.2Å; E594-R597 PolarHBondContact OE2-NH1 3.37Å; R597-E600 PolarHBondContact O-N 3.26Å; R597-R601 WeakPolarHBondContact O-CB 3.46Å; R597-R601 VanDerWaalsContact O-CG 3.29Å; R597-R601 WeakPolarHBondContact O-CG 3.49Å; R597-R601 PolarHBondContact O-N 3.5Å |
| 598 | A | 82.9 | Confident | 86.1 | Confident | 37 Ų | 37 | 101.3 Ų | 101.3 | 31% | 0.306 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | E594 L595 T596 R601 E602 | E594-A598 VanDerWaalsContact O-CB 3.29Å; E594-A598 WeakPolarHBondContact O-CB 3.46Å; E594-A598 PolarHBondContact O-N 3.41Å; L595-A598 PolarHBondContact O-N 3.08Å; T596-A598 VanDerWaalsContact C-N 3.31Å; T596-A598 PolarHBondContact O-N 2.93Å; A598-R601 PolarHBondContact O-N 3.28Å; A598-E602 WeakPolarHBondContact O-CB 3.31Å; A598-E602 PolarHBondContact O-N 3.36Å |
| 599 | K | 84.7 | Confident | 85.9 | Confident | 121 Ų | 121 | 101.2 Ų | 101.2 | 53% | 0.526 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 174.4 | -74 | -178.9 | 177.5 | -174.8 | 0 | 112.7 | L595 T596 E602 I603 | L595-K599 WeakPolarHBondContact O-CG 3.3Å; L595-K599 PolarHBondContact O-N 3.49Å; T596-K599 PolarHBondContact O-N 2.89Å; K599-E602 WeakPolarHBondContact O-CB 3.31Å; K599-E602 PolarHBondContact O-N 3.41Å; K599-I603 VanDerWaalsContact O-CG1 3.31Å; K599-I603 WeakPolarHBondContact O-CG1 3.37Å; K599-I603 PolarHBondContact O-N 2.97Å |
| 600 | E | 85.6 | Confident | 85.8 | Confident | 115 Ų | 115 | 101.8 Ų | 101.8 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 174.2 | -72.7 | 175.9 | 178.3 | 0 | 0 | 111.9 | T596 R597 E602 I603 I604 | T596-E600 PolarHBondContact O-N 2.79Å; R597-E600 PolarHBondContact O-N 3.26Å; E600-E602 VanDerWaalsContact C-N 3.28Å; E600-E602 PolarHBondContact O-N 2.86Å; E600-I603 PolarHBondContact O-N 3.45Å; E600-I604 VanDerWaalsContact O-CG1 3.32Å; E600-I604 WeakPolarHBondContact O-CG1 3.42Å; E600-I604 PolarHBondContact O-N 3.49Å |
| 601 | R | 84.6 | Confident | 85.8 | Confident | 137 Ų | 137 | 101.7 Ų | 101.7 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 173.7 | -72.5 | -175.8 | -61.4 | -121.7 | 4.1 | 111.5 | E594 R597 A598 N605 | E594-R601 IonicContact OE1-CZ 3.37Å; E594-R601 IonicContact OE1-NH1 2.66Å; E594-R601 PolarHBondContact OE1-NH1 3.39Å; E594-R601 IonicContact OE1-NH2 2.75Å; E594-R601 PolarHBondContact OE1-NH2 2.87Å; R597-R601 WeakPolarHBondContact O-CB 3.46Å; R597-R601 VanDerWaalsContact O-CG 3.29Å; R597-R601 WeakPolarHBondContact O-CG 3.49Å; R597-R601 PolarHBondContact O-N 3.5Å; A598-R601 PolarHBondContact O-N 3.28Å; R601-N605 VanDerWaalsContact O-CB 3.28Å; R601-N605 WeakPolarHBondContact O-CB 3.28Å; R601-N605 PolarHBondContact O-N 3.04Å |
| 602 | E | 82.3 | Confident | 85.5 | Confident | 114 Ų | 114 | 101 Ų | 101 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -48.5 | 176.6 | -172.9 | 171 | -150.1 | 0 | 0 | 111.7 | A598 K599 E600 I604 N605 E606 | A598-E602 WeakPolarHBondContact O-CB 3.31Å; A598-E602 PolarHBondContact O-N 3.36Å; K599-E602 WeakPolarHBondContact O-CB 3.31Å; K599-E602 PolarHBondContact O-N 3.41Å; E600-E602 VanDerWaalsContact C-N 3.28Å; E600-E602 PolarHBondContact O-N 2.86Å; E602-I604 VanDerWaalsContact C-N 3.35Å; E602-I604 PolarHBondContact O-N 2.96Å; E602-N605 CarbonylContact O-C 3.58Å; E602-N605 WeakPolarHBondContact O-CA 3.47Å; E602-N605 WeakPolarHBondContact O-CB 3.41Å; E602-N605 PolarHBondContact O-N 3.22Å; E602-E606 WeakPolarHBondContact O-CG 3.49Å; E602-E606 PolarHBondContact O-N 3.46Å |
| 603 | I | 85.5 | Confident | 85.4 | Confident | 106 Ų | 106 | 97.1 Ų | 97.1 | 54% | 0.544 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 176.8 | -68 | 164.8 | 0 | 0 | 0 | 111.4 | K599 E600 N605 E606 E607 | K599-I603 VanDerWaalsContact O-CG1 3.31Å; K599-I603 WeakPolarHBondContact O-CG1 3.37Å; K599-I603 PolarHBondContact O-N 2.97Å; E600-I603 PolarHBondContact O-N 3.45Å; I603-N605 VanDerWaalsContact C-N 3.28Å; I603-N605 PolarHBondContact O-N 3.09Å; I603-E606 PolarHBondContact O-N 2.95Å; I603-E607 PolarHBondContact O-N 3.49Å |
| 604 | I | 84.8 | Confident | 85.3 | Confident | 108 Ų | 108 | 94.6 Ų | 94.6 | 55% | 0.554 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.7 | -38.5 | 177.2 | -67.2 | 167.6 | 0 | 0 | 0 | 110.7 | E600 E602 H608 | E600-I604 VanDerWaalsContact O-CG1 3.32Å; E600-I604 WeakPolarHBondContact O-CG1 3.42Å; E600-I604 PolarHBondContact O-N 3.49Å; E602-I604 VanDerWaalsContact C-N 3.35Å; E602-I604 PolarHBondContact O-N 2.96Å; I604-H608 WeakPolarHBondContact O-CB 3.38Å; I604-H608 PolarHBondContact O-N 3.32Å |
| 605 | N | 84.3 | Confident | 85.6 | Confident | 92 Ų | 92 | 94.5 Ų | 94.5 | 49% | 0.492 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 177.8 | -168.1 | 49.6 | 0 | 0 | 0 | 111.8 | R601 E602 I603 E607 H608 I609 | R601-N605 VanDerWaalsContact O-CB 3.28Å; R601-N605 WeakPolarHBondContact O-CB 3.28Å; R601-N605 PolarHBondContact O-N 3.04Å; E602-N605 CarbonylContact O-C 3.58Å; E602-N605 WeakPolarHBondContact O-CA 3.47Å; E602-N605 WeakPolarHBondContact O-CB 3.41Å; E602-N605 PolarHBondContact O-N 3.22Å; I603-N605 VanDerWaalsContact C-N 3.28Å; I603-N605 PolarHBondContact O-N 3.09Å; N605-E607 PolarHBondContact O-N 2.7Å; N605-H608 PolarHBondContact O-N 3.12Å; N605-I609 WeakPolarHBondContact O-CB 3.34Å; N605-I609 VanDerWaalsContact O-CG1 3.26Å; N605-I609 WeakPolarHBondContact O-CG1 3.44Å; N605-I609 PolarHBondContact O-N 2.93Å |
| 606 | E | 86.9 | Confident | 85.7 | Confident | 108 Ų | 108 | 93.4 Ų | 93.4 | 51% | 0.505 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 173.3 | -73.5 | -179.7 | 173.8 | 0 | 0 | 111.9 | E602 I603 H608 I609 T610 | E602-E606 WeakPolarHBondContact O-CG 3.49Å; E602-E606 PolarHBondContact O-N 3.46Å; I603-E606 PolarHBondContact O-N 2.95Å; E606-H608 VanDerWaalsContact C-N 3.33Å; E606-H608 PolarHBondContact O-N 2.57Å; E606-I609 PolarHBondContact O-N 3.24Å; E606-T610 WeakPolarHBondContact O-CB 3.22Å; E606-T610 PolarHBondContact O-N 2.9Å; E606-T610 PolarHBondContact O-OG1 3.21Å |
| 607 | E | 88.5 | Confident | 85.7 | Confident | 100 Ų | 100 | 94.2 Ų | 94.2 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 176.3 | -157.2 | -158.3 | 141.5 | 0 | 0 | 111.4 | I603 N605 T610 R611 | I603-E607 PolarHBondContact O-N 3.49Å; N605-E607 PolarHBondContact O-N 2.7Å; E607-T610 PolarHBondContact O-N 3.17Å; E607-R611 WeakPolarHBondContact O-CB 3.47Å; E607-R611 WeakPolarHBondContact O-CG 3.43Å; E607-R611 PolarHBondContact O-N 3.39Å; E607-R611 IonicContact OE1-CZ 3.37Å; E607-R611 VanDerWaalsContact OE1-CZ 3.28Å; E607-R611 IonicContact OE1-NE 3.69Å; E607-R611 PolarHBondContact OE1-NE 3.08Å; E607-R611 IonicContact OE1-NH2 2.7Å; E607-R611 PolarHBondContact OE1-NH2 3.17Å; E607-R611 IonicContact OE2-NH2 3.57Å; E607-R611 PolarHBondContact OE2-NH2 3.38Å |
| 608 | H | 87.4 | Confident | 86 | Confident | 89 Ų | 89 | 96.7 Ų | 96.7 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 175.4 | -175.2 | -110.6 | 0 | 0 | 0 | 112.1 | I604 N605 E606 T610 R611 L612 | I604-H608 WeakPolarHBondContact O-CB 3.38Å; I604-H608 PolarHBondContact O-N 3.32Å; N605-H608 PolarHBondContact O-N 3.12Å; E606-H608 VanDerWaalsContact C-N 3.33Å; E606-H608 PolarHBondContact O-N 2.57Å; H608-T610 VanDerWaalsContact C-N 3.32Å; H608-T610 PolarHBondContact O-N 3.5Å; H608-R611 PolarHBondContact O-N 3.39Å; H608-L612 WeakPolarHBondContact CE1-CD1 3.48Å; H608-L612 WeakPolarHBondContact O-CB 3.48Å; H608-L612 WeakPolarHBondContact O-CG 2.97Å; H608-L612 PolarHBondContact O-N 2.88Å |
| 609 | I | 85.5 | Confident | 86.2 | Confident | 94 Ų | 94 | 99.8 Ų | 99.8 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 175.1 | -70.2 | 165.3 | 0 | 0 | 0 | 110.2 | N605 E606 L612 S613 | N605-I609 WeakPolarHBondContact O-CB 3.34Å; N605-I609 VanDerWaalsContact O-CG1 3.26Å; N605-I609 WeakPolarHBondContact O-CG1 3.44Å; N605-I609 PolarHBondContact O-N 2.93Å; E606-I609 PolarHBondContact O-N 3.24Å; I609-L612 PolarHBondContact O-N 3.45Å; I609-S613 WeakPolarHBondContact O-CB 2.95Å; I609-S613 PolarHBondContact O-N 2.65Å |
| 610 | T | 88.3 | Confident | 86.1 | Confident | 98 Ų | 98 | 99 Ų | 99 | 60% | 0.601 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | 178.1 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | E606 E607 H608 S613 G614 | E606-T610 WeakPolarHBondContact O-CB 3.22Å; E606-T610 PolarHBondContact O-N 2.9Å; E606-T610 PolarHBondContact O-OG1 3.21Å; E607-T610 PolarHBondContact O-N 3.17Å; H608-T610 VanDerWaalsContact C-N 3.32Å; H608-T610 PolarHBondContact O-N 3.5Å; T610-S613 PolarHBondContact O-N 2.78Å; T610-G614 PolarHBondContact O-N 2.98Å |
| 611 | R | 87.6 | Confident | 86.3 | Confident | 131 Ų | 131 | 98.5 Ų | 98.5 | 49% | 0.494 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 174.9 | -76 | -169.7 | -110.8 | 121.4 | -7.8 | 112.2 | E607 H608 T615 | E607-R611 WeakPolarHBondContact O-CB 3.47Å; E607-R611 WeakPolarHBondContact O-CG 3.43Å; E607-R611 PolarHBondContact O-N 3.39Å; E607-R611 IonicContact OE1-CZ 3.37Å; E607-R611 VanDerWaalsContact OE1-CZ 3.28Å; E607-R611 IonicContact OE1-NE 3.69Å; E607-R611 PolarHBondContact OE1-NE 3.08Å; E607-R611 IonicContact OE1-NH2 2.7Å; E607-R611 PolarHBondContact OE1-NH2 3.17Å; E607-R611 IonicContact OE2-NH2 3.57Å; E607-R611 PolarHBondContact OE2-NH2 3.38Å; H608-R611 PolarHBondContact O-N 3.39Å; R611-T615 PolarHBondContact O-N 3.38Å; R611-T615 VanDerWaalsContact O-N 3.08Å; R611-T615 PolarHBondContact O-OG1 3.41Å |
| 612 | L | 79.9 | Confident | 86.4 | Confident | 87 Ų | 87 | 96 Ų | 96 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -48 | 175.9 | -77.4 | 174.8 | 0 | 0 | 0 | 111.5 | H608 I609 G614 T615 V616 | H608-L612 WeakPolarHBondContact CE1-CD1 3.48Å; H608-L612 WeakPolarHBondContact O-CB 3.48Å; H608-L612 WeakPolarHBondContact O-CG 2.97Å; H608-L612 PolarHBondContact O-N 2.88Å; I609-L612 PolarHBondContact O-N 3.45Å; L612-G614 VanDerWaalsContact C-N 3.34Å; L612-G614 PolarHBondContact O-N 3.45Å; L612-T615 CarbonylContact O-C 3.56Å; L612-T615 WeakPolarHBondContact O-CA 3.35Å; L612-T615 WeakPolarHBondContact O-CB 3.43Å; L612-T615 PolarHBondContact O-N 3.27Å; L612-V616 WeakPolarHBondContact O-CG2 3.49Å; L612-V616 PolarHBondContact O-N 3.04Å |
| 613 | S | 84.7 | Confident | 86.5 | Confident | 62 Ų | 62 | 94 Ų | 94 | 43% | 0.434 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -55.6 | -48.9 | 176.6 | -168.2 | 0 | 0 | 0 | 0 | 111 | I609 T610 T615 V616 D617 | I609-S613 WeakPolarHBondContact O-CB 2.95Å; I609-S613 PolarHBondContact O-N 2.65Å; T610-S613 PolarHBondContact O-N 2.78Å; S613-T615 PolarHBondContact O-N 3.5Å; S613-V616 PolarHBondContact O-N 3.35Å; S613-V616 VanDerWaalsContact O-N 3.17Å; S613-D617 VanDerWaalsContact O-CG 3.28Å; S613-D617 PolarHBondContact O-N 2.99Å |
| 614 | G | 89.5 | Confident | 86.4 | Confident | 30 Ų | 30 | 92.6 Ų | 92.6 | 31% | 0.309 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.6 | -23 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T610 L612 K618 | T610-G614 PolarHBondContact O-N 2.98Å; L612-G614 VanDerWaalsContact C-N 3.34Å; L612-G614 PolarHBondContact O-N 3.45Å; G614-K618 WeakPolarHBondContact O-CG 3.07Å; G614-K618 PolarHBondContact O-N 2.88Å |
| 615 | T | 90.1 | Very high | 86.6 | Confident | 74 Ų | 74 | 91.9 Ų | 91.9 | 45% | 0.454 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -77.7 | -42.5 | 172.6 | -57.5 | 0 | 0 | 0 | 0 | 111 | R611 L612 S613 K618 L619 | R611-T615 PolarHBondContact O-N 3.38Å; R611-T615 VanDerWaalsContact O-N 3.08Å; R611-T615 PolarHBondContact O-OG1 3.41Å; L612-T615 CarbonylContact O-C 3.56Å; L612-T615 WeakPolarHBondContact O-CA 3.35Å; L612-T615 WeakPolarHBondContact O-CB 3.43Å; L612-T615 PolarHBondContact O-N 3.27Å; S613-T615 PolarHBondContact O-N 3.5Å; T615-K618 PolarHBondContact O-N 3.47Å; T615-L619 HydrophobicContact CG2-CD1 4.32Å; T615-L619 WeakPolarHBondContact O-CG 3.46Å; T615-L619 PolarHBondContact O-N 3.49Å |
| 616 | V | 82.9 | Confident | 86.7 | Confident | 75 Ų | 75 | 95.2 Ų | 95.2 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 174.6 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | L612 S613 K618 L619 L620 | L612-V616 WeakPolarHBondContact O-CG2 3.49Å; L612-V616 PolarHBondContact O-N 3.04Å; S613-V616 PolarHBondContact O-N 3.35Å; S613-V616 VanDerWaalsContact O-N 3.17Å; V616-K618 VanDerWaalsContact C-N 3.31Å; V616-K618 PolarHBondContact O-N 3.2Å; V616-L619 PolarHBondContact O-N 3.47Å; V616-L619 VanDerWaalsContact O-N 3.11Å; V616-L620 HydrophobicContact CG1-CD1 3.85Å; V616-L620 HydrophobicContact CG1-CG 4.2Å; V616-L620 WeakPolarHBondContact O-CB 3.42Å; V616-L620 WeakPolarHBondContact O-CG 2.96Å; V616-L620 PolarHBondContact O-N 2.66Å |
| 617 | D | 89 | Confident | 86.8 | Confident | 94 Ų | 94 | 94.6 Ų | 94.6 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 176.9 | -67.8 | -29.4 | 0 | 0 | 0 | 112.1 | S613 L620 Q621 | S613-D617 VanDerWaalsContact O-CG 3.28Å; S613-D617 PolarHBondContact O-N 2.99Å; D617-L620 PolarHBondContact O-N 3.06Å; D617-Q621 VanDerWaalsContact O-CB 3.27Å; D617-Q621 WeakPolarHBondContact O-CB 3.04Å; D617-Q621 PolarHBondContact O-N 2.86Å |
| 618 | K | 91 | Very high | 86.8 | Confident | 158 Ų | 158 | 95.2 Ų | 95.2 | 69% | 0.687 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.4 | -41.5 | 174.5 | -77.3 | 174.5 | -175.1 | 174.1 | 0 | 112.5 | G614 T615 V616 Q621 E622 | G614-K618 WeakPolarHBondContact O-CG 3.07Å; G614-K618 PolarHBondContact O-N 2.88Å; T615-K618 PolarHBondContact O-N 3.47Å; V616-K618 VanDerWaalsContact C-N 3.31Å; V616-K618 PolarHBondContact O-N 3.2Å; K618-Q621 PolarHBondContact O-N 3Å; K618-E622 WeakPolarHBondContact O-CB 3.43Å; K618-E622 PolarHBondContact O-N 2.92Å |
| 619 | L | 86.8 | Confident | 86.9 | Confident | 102 Ų | 102 | 95.9 Ų | 95.9 | 53% | 0.534 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.8 | -37.8 | 177.4 | -71.6 | 173 | 0 | 0 | 0 | 111.7 | T615 V616 E622 S623 | T615-L619 HydrophobicContact CG2-CD1 4.32Å; T615-L619 WeakPolarHBondContact O-CG 3.46Å; T615-L619 PolarHBondContact O-N 3.49Å; V616-L619 PolarHBondContact O-N 3.47Å; V616-L619 VanDerWaalsContact O-N 3.11Å; L619-E622 PolarHBondContact O-N 3.24Å; L619-S623 VanDerWaalsContact O-CB 3.24Å; L619-S623 WeakPolarHBondContact O-CB 3.36Å; L619-S623 PolarHBondContact O-N 2.9Å |
| 620 | L | 84.1 | Confident | 86.9 | Confident | 105 Ų | 105 | 96.7 Ų | 96.7 | 55% | 0.55 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 174.3 | -71.2 | 175.5 | 0 | 0 | 0 | 111.1 | V616 D617 S623 N624 | V616-L620 HydrophobicContact CG1-CD1 3.85Å; V616-L620 HydrophobicContact CG1-CG 4.2Å; V616-L620 WeakPolarHBondContact O-CB 3.42Å; V616-L620 WeakPolarHBondContact O-CG 2.96Å; V616-L620 PolarHBondContact O-N 2.66Å; D617-L620 PolarHBondContact O-N 3.06Å; L620-S623 PolarHBondContact O-N 3.35Å; L620-N624 VanDerWaalsContact O-CB 3.3Å; L620-N624 WeakPolarHBondContact O-CB 3.1Å; L620-N624 PolarHBondContact O-N 3.27Å |
| 621 | Q | 88.8 | Confident | 86.8 | Confident | 104 Ų | 104 | 96.6 Ų | 96.6 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 173.5 | -177.8 | 62.7 | 24 | 0 | 0 | 111.4 | D617 K618 S623 N624 E625 | D617-Q621 VanDerWaalsContact O-CB 3.27Å; D617-Q621 WeakPolarHBondContact O-CB 3.04Å; D617-Q621 PolarHBondContact O-N 2.86Å; K618-Q621 PolarHBondContact O-N 3Å; Q621-S623 PolarHBondContact O-N 3.31Å; Q621-N624 PolarHBondContact O-N 2.98Å; Q621-E625 PolarHBondContact NE2-OE1 2.96Å; Q621-E625 WeakPolarHBondContact O-CB 3.21Å; Q621-E625 WeakPolarHBondContact O-CG 3.46Å; Q621-E625 PolarHBondContact O-N 3.39Å |
| 622 | E | 87.3 | Confident | 86.8 | Confident | 85 Ų | 85 | 96.7 Ų | 96.7 | 40% | 0.397 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 177.4 | -171.8 | 179.6 | 177.6 | 0 | 0 | 111.9 | K618 L619 E625 R626 | K618-E622 WeakPolarHBondContact O-CB 3.43Å; K618-E622 PolarHBondContact O-N 2.92Å; L619-E622 PolarHBondContact O-N 3.24Å; E622-E625 PolarHBondContact O-N 2.84Å; E622-R626 WeakPolarHBondContact O-CB 3.44Å; E622-R626 VanDerWaalsContact O-CG 3.25Å; E622-R626 WeakPolarHBondContact O-CG 3.18Å; E622-R626 PolarHBondContact O-N 3.46Å; E622-R626 IonicContact OE1-CZ 3.31Å; E622-R626 IonicContact OE1-NE 2.7Å; E622-R626 IonicContact OE1-NH2 3.16Å; E622-R626 PolarHBondContact OE1-NH2 3.07Å |
| 623 | S | 84.8 | Confident | 87 | Confident | 73 Ų | 73 | 98.8 Ų | 98.8 | 51% | 0.51 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 174.2 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | L619 L620 Q621 R626 L627 | L619-S623 VanDerWaalsContact O-CB 3.24Å; L619-S623 WeakPolarHBondContact O-CB 3.36Å; L619-S623 PolarHBondContact O-N 2.9Å; L620-S623 PolarHBondContact O-N 3.35Å; Q621-S623 PolarHBondContact O-N 3.31Å; S623-R626 PolarHBondContact O-N 3.13Å; S623-L627 WeakPolarHBondContact O-CB 3.43Å; S623-L627 PolarHBondContact O-N 2.63Å |
| 624 | N | 83.3 | Confident | 87 | Confident | 76 Ų | 76 | 104 Ų | 104 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -41 | 178.6 | -161 | 8.3 | 0 | 0 | 0 | 111.6 | L620 Q621 L627 Q628 | L620-N624 VanDerWaalsContact O-CB 3.3Å; L620-N624 WeakPolarHBondContact O-CB 3.1Å; L620-N624 PolarHBondContact O-N 3.27Å; Q621-N624 PolarHBondContact O-N 2.98Å; N624-L627 PolarHBondContact O-N 3.11Å; N624-Q628 WeakPolarHBondContact O-CG 3.15Å; N624-Q628 PolarHBondContact O-N 2.69Å |
| 625 | E | 88.9 | Confident | 86.5 | Confident | 93 Ų | 93 | 107.4 Ų | 107.4 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 173.3 | -76.2 | 175.3 | -166.2 | 0 | 0 | 112.2 | Q621 E622 L627 Q628 N629 | Q621-E625 PolarHBondContact NE2-OE1 2.96Å; Q621-E625 WeakPolarHBondContact O-CB 3.21Å; Q621-E625 WeakPolarHBondContact O-CG 3.46Å; Q621-E625 PolarHBondContact O-N 3.39Å; E622-E625 PolarHBondContact O-N 2.84Å; E625-L627 VanDerWaalsContact C-N 3.32Å; E625-L627 PolarHBondContact O-N 2.7Å; E625-Q628 PolarHBondContact O-N 3.15Å; E625-N629 VanDerWaalsContact O-CG 3.31Å; E625-N629 PolarHBondContact O-N 3.45Å; E625-N629 PolarHBondContact O-ND2 3.21Å |
| 626 | R | 86.3 | Confident | 86.2 | Confident | 162 Ų | 162 | 106.3 Ų | 106.3 | 61% | 0.611 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -41.6 | 173.6 | -73.5 | 173.6 | -172.9 | -174.3 | 4.5 | 111.6 | E622 S623 N629 H630 | E622-R626 WeakPolarHBondContact O-CB 3.44Å; E622-R626 VanDerWaalsContact O-CG 3.25Å; E622-R626 WeakPolarHBondContact O-CG 3.18Å; E622-R626 PolarHBondContact O-N 3.46Å; E622-R626 IonicContact OE1-CZ 3.31Å; E622-R626 IonicContact OE1-NE 2.7Å; E622-R626 IonicContact OE1-NH2 3.16Å; E622-R626 PolarHBondContact OE1-NH2 3.07Å; S623-R626 PolarHBondContact O-N 3.13Å; R626-N629 PolarHBondContact O-N 3.37Å; R626-H630 PolarHBondContact O-N 2.78Å |
| 627 | L | 87.8 | Confident | 86.2 | Confident | 94 Ų | 94 | 105.3 Ų | 105.3 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 177.4 | -178.9 | 60.9 | 0 | 0 | 0 | 111.8 | S623 N624 E625 H630 L631 | S623-L627 WeakPolarHBondContact O-CB 3.43Å; S623-L627 PolarHBondContact O-N 2.63Å; N624-L627 PolarHBondContact O-N 3.11Å; E625-L627 VanDerWaalsContact C-N 3.32Å; E625-L627 PolarHBondContact O-N 2.7Å; L627-H630 PolarHBondContact O-N 3.2Å; L627-L631 HydrophobicContact CD1-CD1 4.26Å; L627-L631 HydrophobicContact CG-CD1 4.03Å; L627-L631 PolarHBondContact O-N 3.08Å |
| 628 | Q | 88 | Confident | 85.7 | Confident | 113 Ų | 113 | 105.1 Ų | 105.1 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.1 | -74.5 | 179 | 5.5 | 0 | 0 | 112 | N624 E625 H630 L631 Q632 | N624-Q628 WeakPolarHBondContact O-CG 3.15Å; N624-Q628 PolarHBondContact O-N 2.69Å; E625-Q628 PolarHBondContact O-N 3.15Å; Q628-H630 VanDerWaalsContact C-N 3.34Å; Q628-H630 PolarHBondContact O-N 3.47Å; Q628-L631 PolarHBondContact O-N 2.91Å; Q628-Q632 WeakPolarHBondContact O-CB 3.49Å; Q628-Q632 PolarHBondContact O-N 2.91Å |
| 629 | N | 89.5 | Confident | 85.4 | Confident | 103 Ų | 103 | 103.5 Ų | 103.5 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.9 | -43.4 | 174.8 | -73.4 | -31.7 | 0 | 0 | 0 | 111.7 | E625 R626 L631 Q632 E633 | E625-N629 VanDerWaalsContact O-CG 3.31Å; E625-N629 PolarHBondContact O-N 3.45Å; E625-N629 PolarHBondContact O-ND2 3.21Å; R626-N629 PolarHBondContact O-N 3.37Å; N629-L631 PolarHBondContact O-N 3.02Å; N629-Q632 PolarHBondContact O-N 2.84Å; N629-E633 WeakPolarHBondContact O-CG 3.24Å; N629-E633 PolarHBondContact O-N 3.27Å |
| 630 | H | 87.2 | Confident | 85.2 | Confident | 112 Ų | 112 | 104.6 Ų | 104.6 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 178.2 | -168.5 | 53.5 | 0 | 0 | 0 | 112.7 | R626 L627 Q628 E633 R634 | R626-H630 PolarHBondContact O-N 2.78Å; L627-H630 PolarHBondContact O-N 3.2Å; Q628-H630 VanDerWaalsContact C-N 3.34Å; Q628-H630 PolarHBondContact O-N 3.47Å; H630-E633 IonicContact ND1-OE2 2.71Å; H630-E633 PolarHBondContact O-N 3.43Å; H630-R634 WeakPolarHBondContact O-CB 3.14Å; H630-R634 PolarHBondContact O-N 2.88Å |
| 631 | L | 84.5 | Confident | 85.3 | Confident | 96 Ų | 96 | 106.6 Ų | 106.6 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 172.3 | -89.3 | 150.4 | 0 | 0 | 0 | 111.7 | L627 Q628 N629 R634 M635 | L627-L631 HydrophobicContact CD1-CD1 4.26Å; L627-L631 HydrophobicContact CG-CD1 4.03Å; L627-L631 PolarHBondContact O-N 3.08Å; Q628-L631 PolarHBondContact O-N 2.91Å; N629-L631 PolarHBondContact O-N 3.02Å; L631-R634 PolarHBondContact O-N 3.36Å; L631-M635 WeakPolarHBondContact O-CG 3.37Å; L631-M635 PolarHBondContact O-N 2.97Å |
| 632 | Q | 87.7 | Confident | 85.1 | Confident | 133 Ų | 133 | 107.8 Ų | 107.8 | 62% | 0.621 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 177 | -174.7 | 63.4 | 18.9 | 0 | 0 | 112 | Q628 N629 R634 M635 S636 | Q628-Q632 WeakPolarHBondContact O-CB 3.49Å; Q628-Q632 PolarHBondContact O-N 2.91Å; N629-Q632 PolarHBondContact O-N 2.84Å; Q632-R634 VanDerWaalsContact C-N 3.32Å; Q632-R634 PolarHBondContact O-N 3.09Å; Q632-M635 PolarHBondContact O-N 2.93Å; Q632-S636 PolarHBondContact O-N 3.34Å |
| 633 | E | 84.2 | Confident | 85.1 | Confident | 131 Ų | 131 | 108.1 Ų | 108.1 | 61% | 0.612 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.8 | -41.9 | 173.5 | -73.9 | 176.7 | 178.2 | 0 | 0 | 111.5 | N629 H630 S636 A637 | N629-E633 WeakPolarHBondContact O-CG 3.24Å; N629-E633 PolarHBondContact O-N 3.27Å; H630-E633 IonicContact ND1-OE2 2.71Å; H630-E633 PolarHBondContact O-N 3.43Å; E633-S636 PolarHBondContact O-N 3.32Å; E633-A637 WeakPolarHBondContact O-CB 3.2Å; E633-A637 PolarHBondContact O-N 3.45Å |
| 634 | R | 85.8 | Confident | 85 | Confident | 170 Ų | 170 | 109.6 Ų | 109.6 | 64% | 0.642 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.3 | -40.2 | 177 | -172.3 | 174.5 | 178.5 | 141.1 | -2.6 | 112.2 | H630 L631 Q632 A637 L638 | H630-R634 WeakPolarHBondContact O-CB 3.14Å; H630-R634 PolarHBondContact O-N 2.88Å; L631-R634 PolarHBondContact O-N 3.36Å; Q632-R634 VanDerWaalsContact C-N 3.32Å; Q632-R634 PolarHBondContact O-N 3.09Å; R634-A637 PolarHBondContact O-N 3.42Å; R634-L638 HydrophobicContact CG-CD1 4.41Å; R634-L638 WeakPolarHBondContact O-CB 3.33Å; R634-L638 VanDerWaalsContact O-CG 3.31Å; R634-L638 WeakPolarHBondContact O-CG 3.34Å; R634-L638 PolarHBondContact O-N 3.08Å |
| 635 | M | 79.6 | Confident | 84.9 | Confident | 102 Ų | 102 | 109.5 Ų | 109.5 | 50% | 0.502 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 174.3 | -74.7 | -66.8 | -67.1 | 0 | 0 | 111.1 | L631 Q632 A637 L638 E639 | L631-M635 WeakPolarHBondContact O-CG 3.37Å; L631-M635 PolarHBondContact O-N 2.97Å; Q632-M635 PolarHBondContact O-N 2.93Å; M635-A637 PolarHBondContact O-N 3.02Å; M635-L638 PolarHBondContact O-N 3.44Å; M635-E639 PolarHBondContact O-N 2.75Å |
| 636 | S | 83.1 | Confident | 84.8 | Confident | 51 Ų | 51 | 109.8 Ų | 109.8 | 36% | 0.357 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 176.7 | -170.6 | 0 | 0 | 0 | 0 | 112.6 | Q632 E633 L638 E639 Q640 | Q632-S636 PolarHBondContact O-N 3.34Å; E633-S636 PolarHBondContact O-N 3.32Å; S636-L638 VanDerWaalsContact C-N 3.35Å; S636-L638 PolarHBondContact O-N 3.45Å; S636-E639 PolarHBondContact O-N 2.87Å; S636-Q640 WeakPolarHBondContact O-CG 3.42Å; S636-Q640 PolarHBondContact O-N 3.15Å |
| 637 | A | 83.3 | Confident | 84.7 | Confident | 55 Ų | 55 | 106.2 Ų | 106.2 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E633 R634 M635 Q640 K641 | E633-A637 WeakPolarHBondContact O-CB 3.2Å; E633-A637 PolarHBondContact O-N 3.45Å; R634-A637 PolarHBondContact O-N 3.42Å; M635-A637 PolarHBondContact O-N 3.02Å; A637-Q640 PolarHBondContact O-N 3.3Å; A637-K641 WeakPolarHBondContact O-CB 3.19Å; A637-K641 PolarHBondContact O-N 3.05Å |
| 638 | L | 78.7 | Confident | 84.4 | Confident | 90 Ų | 90 | 106.5 Ų | 106.5 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 174.3 | -76.7 | 170 | 0 | 0 | 0 | 111.9 | R634 M635 S636 K641 Q642 | R634-L638 HydrophobicContact CG-CD1 4.41Å; R634-L638 WeakPolarHBondContact O-CB 3.33Å; R634-L638 VanDerWaalsContact O-CG 3.31Å; R634-L638 WeakPolarHBondContact O-CG 3.34Å; R634-L638 PolarHBondContact O-N 3.08Å; M635-L638 PolarHBondContact O-N 3.44Å; S636-L638 VanDerWaalsContact C-N 3.35Å; S636-L638 PolarHBondContact O-N 3.45Å; L638-K641 PolarHBondContact O-N 3.31Å; L638-Q642 WeakPolarHBondContact O-CB 3.31Å; L638-Q642 PolarHBondContact O-N 3.49Å |
| 639 | E | 83.6 | Confident | 84.1 | Confident | 123 Ų | 123 | 104.7 Ų | 104.7 | 58% | 0.575 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.4 | -43.6 | 173.5 | -74 | 177.4 | 177.3 | 0 | 0 | 112 | M635 S636 K641 Q642 N643 | M635-E639 PolarHBondContact O-N 2.75Å; S636-E639 PolarHBondContact O-N 2.87Å; E639-K641 PolarHBondContact O-N 3Å; E639-Q642 PolarHBondContact O-N 3.27Å; E639-N643 PolarHBondContact O-N 2.96Å |
| 640 | Q | 83.1 | Confident | 83.9 | Confident | 126 Ų | 126 | 106.3 Ų | 106.3 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 174.4 | -74.4 | -178.9 | 5.7 | 0 | 0 | 111.7 | S636 A637 Q642 N643 L644 | S636-Q640 WeakPolarHBondContact O-CG 3.42Å; S636-Q640 PolarHBondContact O-N 3.15Å; A637-Q640 PolarHBondContact O-N 3.3Å; Q640-Q642 VanDerWaalsContact C-N 3.33Å; Q640-Q642 PolarHBondContact O-N 3.41Å; Q640-N643 PolarHBondContact O-N 3.23Å; Q640-L644 WeakPolarHBondContact O-CG 3.15Å; Q640-L644 PolarHBondContact O-N 3.38Å |
| 641 | K | 85 | Confident | 83.7 | Confident | 146 Ų | 146 | 106.3 Ų | 106.3 | 64% | 0.635 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61 | -42 | 175.1 | -178 | -176.2 | 174.3 | -174.6 | 0 | 111.5 | A637 L638 E639 L644 S645 | A637-K641 WeakPolarHBondContact O-CB 3.19Å; A637-K641 PolarHBondContact O-N 3.05Å; L638-K641 PolarHBondContact O-N 3.31Å; E639-K641 PolarHBondContact O-N 3Å; K641-L644 PolarHBondContact O-N 3.4Å; K641-S645 WeakPolarHBondContact O-CB 3.49Å; K641-S645 PolarHBondContact O-N 2.94Å |
| 642 | Q | 84.7 | Confident | 83.6 | Confident | 129 Ų | 129 | 106.9 Ų | 106.9 | 60% | 0.603 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.9 | -42 | 176.6 | -173.5 | 177.1 | -2.3 | 0 | 0 | 111.5 | L638 E639 Q640 S645 N646 | L638-Q642 WeakPolarHBondContact O-CB 3.31Å; L638-Q642 PolarHBondContact O-N 3.49Å; E639-Q642 PolarHBondContact O-N 3.27Å; Q640-Q642 VanDerWaalsContact C-N 3.33Å; Q640-Q642 PolarHBondContact O-N 3.41Å; Q642-S645 PolarHBondContact O-N 3.47Å; Q642-N646 VanDerWaalsContact O-CG 3.3Å; Q642-N646 PolarHBondContact O-N 3.12Å; Q642-N646 PolarHBondContact O-ND2 3.16Å |
| 643 | N | 87.8 | Confident | 83.5 | Confident | 93 Ų | 93 | 107.8 Ų | 107.8 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 175.2 | -169.3 | -12.6 | 0 | 0 | 0 | 111.7 | E639 Q640 S645 N646 Q647 | E639-N643 PolarHBondContact O-N 2.96Å; Q640-N643 PolarHBondContact O-N 3.23Å; N643-S645 VanDerWaalsContact C-N 3.32Å; N643-S645 PolarHBondContact O-N 3.43Å; N643-N646 WeakPolarHBondContact O-CB 3.46Å; N643-N646 PolarHBondContact O-N 3.49Å; N643-N646 VanDerWaalsContact O-N 3.17Å; N643-Q647 WeakPolarHBondContact O-CG 3.45Å; N643-Q647 PolarHBondContact O-N 3.49Å; N643-Q647 PolarHBondContact OD1-NE2 2.96Å |
| 644 | L | 82.8 | Confident | 83.4 | Confident | 103 Ų | 103 | 104.2 Ų | 104.2 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | 175.5 | -72.2 | 171.4 | 0 | 0 | 0 | 112.1 | Q640 K641 N646 Q647 V648 | Q640-L644 WeakPolarHBondContact O-CG 3.15Å; Q640-L644 PolarHBondContact O-N 3.38Å; K641-L644 PolarHBondContact O-N 3.4Å; L644-N646 VanDerWaalsContact C-N 3.32Å; L644-N646 PolarHBondContact O-N 3.28Å; L644-Q647 PolarHBondContact O-N 3.35Å; L644-V648 WeakPolarHBondContact O-CG2 3.45Å; L644-V648 PolarHBondContact O-N 3.49Å |
| 645 | S | 80.6 | Confident | 83.3 | Confident | 75 Ų | 75 | 101.1 Ų | 101.1 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 174.7 | -168.5 | 0 | 0 | 0 | 0 | 111.7 | K641 Q642 N643 V648 E649 | K641-S645 WeakPolarHBondContact O-CB 3.49Å; K641-S645 PolarHBondContact O-N 2.94Å; Q642-S645 PolarHBondContact O-N 3.47Å; N643-S645 VanDerWaalsContact C-N 3.32Å; N643-S645 PolarHBondContact O-N 3.43Å; S645-V648 PolarHBondContact O-N 2.86Å; S645-E649 WeakPolarHBondContact O-CB 3.42Å; S645-E649 PolarHBondContact O-N 2.85Å |
| 646 | N | 87.1 | Confident | 83.4 | Confident | 98 Ų | 98 | 100.5 Ų | 100.5 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 176 | -69.6 | -18.4 | 0 | 0 | 0 | 112 | Q642 N643 L644 E649 Q650 | Q642-N646 VanDerWaalsContact O-CG 3.3Å; Q642-N646 PolarHBondContact O-N 3.12Å; Q642-N646 PolarHBondContact O-ND2 3.16Å; N643-N646 WeakPolarHBondContact O-CB 3.46Å; N643-N646 PolarHBondContact O-N 3.49Å; N643-N646 VanDerWaalsContact O-N 3.17Å; L644-N646 VanDerWaalsContact C-N 3.32Å; L644-N646 PolarHBondContact O-N 3.28Å; N646-E649 PolarHBondContact O-N 3.27Å; N646-Q650 WeakPolarHBondContact O-CB 3.47Å; N646-Q650 PolarHBondContact O-N 2.92Å |
| 647 | Q | 85 | Confident | 83.5 | Confident | 88 Ų | 88 | 101 Ų | 101 | 41% | 0.411 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 175.2 | -71.1 | 177.8 | 28.5 | 0 | 0 | 112.1 | N643 L644 E649 Q650 I651 | N643-Q647 WeakPolarHBondContact O-CG 3.45Å; N643-Q647 PolarHBondContact O-N 3.49Å; N643-Q647 PolarHBondContact OD1-NE2 2.96Å; L644-Q647 PolarHBondContact O-N 3.35Å; Q647-E649 VanDerWaalsContact C-N 3.33Å; Q647-E649 PolarHBondContact O-N 2.86Å; Q647-Q650 PolarHBondContact O-N 2.92Å; Q647-I651 VanDerWaalsContact O-CG1 3.28Å; Q647-I651 WeakPolarHBondContact O-CG1 3.33Å; Q647-I651 PolarHBondContact O-N 3.28Å |
| 648 | V | 80.6 | Confident | 83.4 | Confident | 99 Ų | 99 | 100.7 Ų | 100.7 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.2 | -44.4 | 175.1 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | L644 S645 I651 K652 | L644-V648 WeakPolarHBondContact O-CG2 3.45Å; L644-V648 PolarHBondContact O-N 3.49Å; S645-V648 PolarHBondContact O-N 2.86Å; V648-I651 PolarHBondContact O-N 3.26Å; V648-K652 WeakPolarHBondContact O-CB 3.48Å; V648-K652 PolarHBondContact O-N 3.48Å |
| 649 | E | 81.7 | Confident | 83.7 | Confident | 75 Ų | 75 | 100 Ų | 100 | 35% | 0.35 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 177.1 | -176.4 | 56.5 | -152 | 0 | 0 | 111.9 | S645 N646 Q647 K652 R653 | S645-E649 WeakPolarHBondContact O-CB 3.42Å; S645-E649 PolarHBondContact O-N 2.85Å; N646-E649 PolarHBondContact O-N 3.27Å; Q647-E649 VanDerWaalsContact C-N 3.33Å; Q647-E649 PolarHBondContact O-N 2.86Å; E649-K652 PolarHBondContact O-N 3.27Å; E649-R653 WeakPolarHBondContact O-CG 3.39Å; E649-R653 PolarHBondContact O-N 2.88Å; E649-R653 IonicContact OE1-CZ 3.89Å; E649-R653 IonicContact OE1-NE 3.96Å; E649-R653 PolarHBondContact OE1-NE 2.9Å; E649-R653 VanDerWaalsContact OE1-NE 3.15Å; E649-R653 IonicContact OE1-NH2 2.57Å; E649-R653 PolarHBondContact OE1-NH2 2.94Å |
| 650 | Q | 86.5 | Confident | 83.7 | Confident | 137 Ų | 137 | 101.7 Ų | 101.7 | 64% | 0.64 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 174.2 | -172.3 | 178.5 | 17.2 | 0 | 0 | 112.2 | N646 Q647 K652 R653 A654 | N646-Q650 WeakPolarHBondContact O-CB 3.47Å; N646-Q650 PolarHBondContact O-N 2.92Å; Q647-Q650 PolarHBondContact O-N 2.92Å; Q650-K652 VanDerWaalsContact C-N 3.33Å; Q650-R653 PolarHBondContact O-N 3.32Å; Q650-A654 WeakPolarHBondContact O-CB 3.46Å; Q650-A654 PolarHBondContact O-N 3.14Å |
| 651 | I | 83.1 | Confident | 83.9 | Confident | 112 Ų | 112 | 101.8 Ų | 101.8 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -40 | 176.7 | -69.6 | 166.7 | 0 | 0 | 0 | 110.6 | Q647 V648 A654 L655 | Q647-I651 VanDerWaalsContact O-CG1 3.28Å; Q647-I651 WeakPolarHBondContact O-CG1 3.33Å; Q647-I651 PolarHBondContact O-N 3.28Å; V648-I651 PolarHBondContact O-N 3.26Å; I651-A654 PolarHBondContact O-N 3.44Å; I651-L655 WeakPolarHBondContact O-CB 3.46Å; I651-L655 PolarHBondContact O-N 3.49Å |
| 652 | K | 81.9 | Confident | 83.7 | Confident | 109 Ų | 109 | 103 Ų | 103 | 47% | 0.474 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 176.6 | -173.2 | -175.4 | 172.8 | -163 | 0 | 111.4 | V648 E649 Q650 A654 L655 E656 | V648-K652 WeakPolarHBondContact O-CB 3.48Å; V648-K652 PolarHBondContact O-N 3.48Å; E649-K652 PolarHBondContact O-N 3.27Å; Q650-K652 VanDerWaalsContact C-N 3.33Å; K652-A654 VanDerWaalsContact C-N 3.34Å; K652-A654 PolarHBondContact O-N 3.18Å; K652-L655 WeakPolarHBondContact O-CB 3.11Å; K652-L655 PolarHBondContact O-N 3.01Å; K652-E656 VanDerWaalsContact CE-OE1 3.28Å; K652-E656 WeakPolarHBondContact CE-OE1 3.31Å; K652-E656 WeakPolarHBondContact O-CG 3.49Å; K652-E656 PolarHBondContact O-N 3.43Å |
| 653 | R | 85.8 | Confident | 83.8 | Confident | 152 Ų | 152 | 102 Ų | 102 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.8 | -41.2 | 175.2 | -68.3 | 179.1 | -157.9 | 170.2 | 4.1 | 112.2 | E649 Q650 L655 E656 T657 | E649-R653 WeakPolarHBondContact O-CG 3.39Å; E649-R653 PolarHBondContact O-N 2.88Å; E649-R653 IonicContact OE1-CZ 3.89Å; E649-R653 IonicContact OE1-NE 3.96Å; E649-R653 PolarHBondContact OE1-NE 2.9Å; E649-R653 VanDerWaalsContact OE1-NE 3.15Å; E649-R653 IonicContact OE1-NH2 2.57Å; E649-R653 PolarHBondContact OE1-NH2 2.94Å; Q650-R653 PolarHBondContact O-N 3.32Å; R653-L655 VanDerWaalsContact C-N 3.32Å; R653-L655 PolarHBondContact O-N 2.98Å; R653-E656 PolarHBondContact O-N 3.47Å; R653-T657 PolarHBondContact O-N 3.07Å; R653-T657 PolarHBondContact O-OG1 3.45Å |
| 654 | A | 81.8 | Confident | 83.7 | Confident | 55 Ų | 55 | 100 Ų | 100 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -37 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q650 I651 K652 T657 A658 | Q650-A654 WeakPolarHBondContact O-CB 3.46Å; Q650-A654 PolarHBondContact O-N 3.14Å; I651-A654 PolarHBondContact O-N 3.44Å; K652-A654 VanDerWaalsContact C-N 3.34Å; K652-A654 PolarHBondContact O-N 3.18Å; A654-T657 VanDerWaalsContact C-OG1 3.28Å; A654-T657 VanDerWaalsContact CA-OG1 3.31Å; A654-T657 WeakPolarHBondContact CA-OG1 3.49Å; A654-T657 PolarHBondContact O-OG1 3.48Å; A654-A658 WeakPolarHBondContact O-CB 3.5Å; A654-A658 PolarHBondContact O-N 2.98Å |
| 655 | L | 82.9 | Confident | 83.7 | Confident | 105 Ų | 105 | 99.9 Ų | 99.9 | 55% | 0.55 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.1 | -43.7 | 174.6 | -178.4 | 63.9 | 0 | 0 | 0 | 111.5 | I651 K652 R653 T657 A658 I659 | I651-L655 WeakPolarHBondContact O-CB 3.46Å; I651-L655 PolarHBondContact O-N 3.49Å; K652-L655 WeakPolarHBondContact O-CB 3.11Å; K652-L655 PolarHBondContact O-N 3.01Å; R653-L655 VanDerWaalsContact C-N 3.32Å; R653-L655 PolarHBondContact O-N 2.98Å; L655-T657 VanDerWaalsContact C-N 3.3Å; L655-T657 PolarHBondContact O-N 3.34Å; L655-A658 PolarHBondContact O-N 3.33Å; L655-I659 HydrophobicContact CD1-CD1 4.35Å; L655-I659 HydrophobicContact CD1-CG1 4.48Å; L655-I659 HydrophobicContact CG-CD1 4.02Å; L655-I659 VanDerWaalsContact O-CG1 3.32Å; L655-I659 WeakPolarHBondContact O-CG1 3.3Å; L655-I659 PolarHBondContact O-N 3.18Å |
| 656 | E | 83.1 | Confident | 84 | Confident | 89 Ų | 89 | 99.7 Ų | 99.7 | 42% | 0.416 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -35.9 | 175.9 | -73.2 | 170.2 | -175.5 | 0 | 0 | 112.3 | K652 R653 R660 | K652-E656 VanDerWaalsContact CE-OE1 3.28Å; K652-E656 WeakPolarHBondContact CE-OE1 3.31Å; K652-E656 WeakPolarHBondContact O-CG 3.49Å; K652-E656 PolarHBondContact O-N 3.43Å; R653-E656 PolarHBondContact O-N 3.47Å; E656-R660 PolarHBondContact O-N 3.16Å |
| 657 | T | 85.2 | Confident | 84 | Confident | 61 Ų | 61 | 99.2 Ų | 99.2 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 171.4 | 46.4 | 0 | 0 | 0 | 0 | 112 | R653 A654 L655 I659 R660 E661 | R653-T657 PolarHBondContact O-N 3.07Å; R653-T657 PolarHBondContact O-OG1 3.45Å; A654-T657 VanDerWaalsContact C-OG1 3.28Å; A654-T657 VanDerWaalsContact CA-OG1 3.31Å; A654-T657 WeakPolarHBondContact CA-OG1 3.49Å; A654-T657 PolarHBondContact O-OG1 3.48Å; L655-T657 VanDerWaalsContact C-N 3.3Å; L655-T657 PolarHBondContact O-N 3.34Å; T657-I659 VanDerWaalsContact C-N 3.32Å; T657-I659 PolarHBondContact O-N 3Å; T657-R660 PolarHBondContact O-N 3.03Å; T657-E661 WeakPolarHBondContact O-CG 3.35Å; T657-E661 PolarHBondContact O-N 3.42Å |
| 658 | A | 80.5 | Confident | 84.1 | Confident | 49 Ų | 49 | 100.4 Ų | 100.4 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -34.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A654 L655 R662 | A654-A658 WeakPolarHBondContact O-CB 3.5Å; A654-A658 PolarHBondContact O-N 2.98Å; L655-A658 PolarHBondContact O-N 3.33Å; A658-R662 WeakPolarHBondContact O-CB 3.47Å; A658-R662 PolarHBondContact O-N 3.15Å |
| 659 | I | 84.1 | Confident | 84 | Confident | 77 Ų | 77 | 98 Ų | 98 | 40% | 0.395 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.5 | -47.1 | 174.2 | -69.5 | 167.6 | 0 | 0 | 0 | 110.4 | L655 T657 E661 R662 E663 | L655-I659 HydrophobicContact CD1-CD1 4.35Å; L655-I659 HydrophobicContact CD1-CG1 4.48Å; L655-I659 HydrophobicContact CG-CD1 4.02Å; L655-I659 VanDerWaalsContact O-CG1 3.32Å; L655-I659 WeakPolarHBondContact O-CG1 3.3Å; L655-I659 PolarHBondContact O-N 3.18Å; T657-I659 VanDerWaalsContact C-N 3.32Å; T657-I659 PolarHBondContact O-N 3Å; I659-E661 VanDerWaalsContact C-N 3.34Å; I659-E661 PolarHBondContact O-N 3.21Å; I659-R662 WeakPolarHBondContact O-CB 3.49Å; I659-R662 PolarHBondContact O-N 3.08Å; I659-R662 VanDerWaalsContact O-N 3.14Å; I659-E663 HydrophobicContact CG2-CG 4.45Å; I659-E663 WeakPolarHBondContact O-CG 3.4Å; I659-E663 PolarHBondContact O-N 3.48Å |
| 660 | R | 84.5 | Confident | 84.1 | Confident | 158 Ų | 158 | 100.5 Ų | 100.5 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.4 | -41.8 | 177 | -78.8 | -174 | -74.8 | 158.1 | -7.5 | 112.6 | E656 T657 E663 A664 | E656-R660 PolarHBondContact O-N 3.16Å; T657-R660 PolarHBondContact O-N 3.03Å; R660-E663 PolarHBondContact O-N 2.9Å; R660-A664 WeakPolarHBondContact O-CB 3.43Å; R660-A664 PolarHBondContact O-N 3.47Å |
| 661 | E | 86.2 | Confident | 84.2 | Confident | 127 Ų | 127 | 98.1 Ų | 98.1 | 59% | 0.593 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.2 | -41.3 | 174.4 | -73.6 | 176.1 | -174.4 | 0 | 0 | 111.8 | T657 I659 A664 N665 | T657-E661 WeakPolarHBondContact O-CG 3.35Å; T657-E661 PolarHBondContact O-N 3.42Å; I659-E661 VanDerWaalsContact C-N 3.34Å; I659-E661 PolarHBondContact O-N 3.21Å; E661-A664 PolarHBondContact O-N 3.36Å; E661-N665 WeakPolarHBondContact O-CB 3.39Å; E661-N665 PolarHBondContact O-N 3.35Å; E661-N665 PolarHBondContact O-ND2 2.91Å; E661-N665 VanDerWaalsContact O-ND2 3.17Å |
| 662 | R | 82.1 | Confident | 84.3 | Confident | 171 Ų | 171 | 97.7 Ų | 97.7 | 65% | 0.645 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 175.8 | -178.8 | 177 | 178.1 | -105.3 | 1 | 111.9 | A658 I659 N665 I666 | A658-R662 WeakPolarHBondContact O-CB 3.47Å; A658-R662 PolarHBondContact O-N 3.15Å; I659-R662 WeakPolarHBondContact O-CB 3.49Å; I659-R662 PolarHBondContact O-N 3.08Å; I659-R662 VanDerWaalsContact O-N 3.14Å; R662-N665 PolarHBondContact O-N 3.14Å; R662-I666 HydrophobicContact CG-CD1 4Å; R662-I666 VanDerWaalsContact O-CG1 3.24Å; R662-I666 WeakPolarHBondContact O-CG1 3.49Å; R662-I666 PolarHBondContact O-N 3.41Å |
| 663 | E | 86.6 | Confident | 84.4 | Confident | 108 Ų | 108 | 101.1 Ų | 101.1 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 177 | -73.1 | 172.5 | 169.1 | 0 | 0 | 111.4 | I659 R660 N665 I666 T667 | I659-E663 HydrophobicContact CG2-CG 4.45Å; I659-E663 WeakPolarHBondContact O-CG 3.4Å; I659-E663 PolarHBondContact O-N 3.48Å; R660-E663 PolarHBondContact O-N 2.9Å; E663-N665 PolarHBondContact O-N 3.11Å; E663-I666 PolarHBondContact O-N 3.47Å; E663-T667 WeakPolarHBondContact O-CG2 3.44Å; E663-T667 PolarHBondContact O-N 3.39Å; E663-T667 PolarHBondContact O-OG1 2.84Å |
| 664 | A | 85.3 | Confident | 84.4 | Confident | 53 Ų | 53 | 99.1 Ų | 99.1 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R660 E661 I666 T667 E668 | R660-A664 WeakPolarHBondContact O-CB 3.43Å; R660-A664 PolarHBondContact O-N 3.47Å; E661-A664 PolarHBondContact O-N 3.36Å; A664-I666 VanDerWaalsContact C-N 3.32Å; A664-I666 PolarHBondContact O-N 3.29Å; A664-T667 PolarHBondContact O-N 2.97Å; A664-T667 PolarHBondContact O-OG1 3Å; A664-E668 PolarHBondContact O-N 3.42Å |
| 665 | N | 83.1 | Confident | 84.7 | Confident | 99 Ų | 99 | 102.3 Ų | 102.3 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -32.9 | 176.3 | -71.5 | -28.3 | 0 | 0 | 0 | 112.5 | E661 R662 E663 S669 | E661-N665 WeakPolarHBondContact O-CB 3.39Å; E661-N665 PolarHBondContact O-N 3.35Å; E661-N665 PolarHBondContact O-ND2 2.91Å; E661-N665 VanDerWaalsContact O-ND2 3.17Å; R662-N665 PolarHBondContact O-N 3.14Å; E663-N665 PolarHBondContact O-N 3.11Å; N665-S669 VanDerWaalsContact O-CB 3.29Å; N665-S669 WeakPolarHBondContact O-CB 3.44Å; N665-S669 PolarHBondContact O-N 3.07Å |
| 666 | I | 86.1 | Confident | 84.7 | Confident | 71 Ų | 71 | 103 Ų | 103 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.9 | -44.5 | 175.9 | -71.4 | 164.8 | 0 | 0 | 0 | 110.5 | R662 E663 A664 S669 M670 | R662-I666 HydrophobicContact CG-CD1 4Å; R662-I666 VanDerWaalsContact O-CG1 3.24Å; R662-I666 WeakPolarHBondContact O-CG1 3.49Å; R662-I666 PolarHBondContact O-N 3.41Å; E663-I666 PolarHBondContact O-N 3.47Å; A664-I666 VanDerWaalsContact C-N 3.32Å; A664-I666 PolarHBondContact O-N 3.29Å; I666-S669 PolarHBondContact O-N 3.2Å; I666-M670 HydrophobicContact CG2-SD 4.39Å; I666-M670 WeakPolarHBondContact O-CG 3.18Å; I666-M670 PolarHBondContact O-N 2.99Å |
| 667 | T | 87 | Confident | 84.8 | Confident | 89 Ų | 89 | 102.2 Ų | 102.2 | 55% | 0.546 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 177.8 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | E663 A664 M670 L671 | E663-T667 WeakPolarHBondContact O-CG2 3.44Å; E663-T667 PolarHBondContact O-N 3.39Å; E663-T667 PolarHBondContact O-OG1 2.84Å; A664-T667 PolarHBondContact O-N 2.97Å; A664-T667 PolarHBondContact O-OG1 3Å; T667-M670 PolarHBondContact O-N 3.4Å; T667-L671 PolarHBondContact O-N 2.69Å |
| 668 | E | 87.4 | Confident | 84.9 | Confident | 112 Ų | 112 | 104.5 Ų | 104.5 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 173 | -169.7 | -179.7 | -176.3 | 0 | 0 | 112 | A664 M670 L671 L672 | A664-E668 PolarHBondContact O-N 3.42Å; E668-M670 VanDerWaalsContact C-N 3.31Å; E668-M670 PolarHBondContact O-N 2.83Å; E668-L671 PolarHBondContact O-N 2.88Å; E668-L672 HydrophobicContact CG-CD1 4.17Å; E668-L672 PolarHBondContact O-N 3.5Å |
| 669 | S | 78.9 | Confident | 85.2 | Confident | 50 Ų | 50 | 108 Ų | 108 | 35% | 0.35 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 174.3 | 161.8 | 0 | 0 | 0 | 0 | 112.2 | N665 I666 L672 R673 | N665-S669 VanDerWaalsContact O-CB 3.29Å; N665-S669 WeakPolarHBondContact O-CB 3.44Å; N665-S669 PolarHBondContact O-N 3.07Å; I666-S669 PolarHBondContact O-N 3.2Å; S669-L672 PolarHBondContact O-N 3.32Å; S669-R673 WeakPolarHBondContact O-CG 3.37Å; S669-R673 PolarHBondContact O-N 3Å |
| 670 | M | 83.9 | Confident | 85.2 | Confident | 127 Ų | 127 | 106.2 Ų | 106.2 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 174.3 | -76.2 | 179.8 | 151.5 | 0 | 0 | 111.6 | I666 T667 E668 L672 R673 Q674 | I666-M670 HydrophobicContact CG2-SD 4.39Å; I666-M670 WeakPolarHBondContact O-CG 3.18Å; I666-M670 PolarHBondContact O-N 2.99Å; T667-M670 PolarHBondContact O-N 3.4Å; E668-M670 VanDerWaalsContact C-N 3.31Å; E668-M670 PolarHBondContact O-N 2.83Å; M670-L672 VanDerWaalsContact C-N 3.35Å; M670-L672 PolarHBondContact O-N 3.33Å; M670-R673 PolarHBondContact O-N 3.23Å; M670-Q674 PolarHBondContact O-N 3.49Å |
| 671 | L | 87.7 | Confident | 85.2 | Confident | 86 Ų | 86 | 101 Ų | 101 | 45% | 0.45 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 176.3 | -174.5 | 70.2 | 0 | 0 | 0 | 112 | T667 E668 Q674 K675 | T667-L671 PolarHBondContact O-N 2.69Å; E668-L671 PolarHBondContact O-N 2.88Å; L671-Q674 WeakPolarHBondContact O-CB 3.15Å; L671-Q674 PolarHBondContact O-N 3.15Å; L671-K675 WeakPolarHBondContact O-CG 3.43Å; L671-K675 PolarHBondContact O-N 3.25Å |
| 672 | L | 86.3 | Confident | 85.2 | Confident | 104 Ų | 104 | 97.7 Ų | 97.7 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 175.2 | -81.4 | 157.5 | 0 | 0 | 0 | 112.2 | E668 S669 M670 K675 L676 | E668-L672 HydrophobicContact CG-CD1 4.17Å; E668-L672 PolarHBondContact O-N 3.5Å; S669-L672 PolarHBondContact O-N 3.32Å; M670-L672 VanDerWaalsContact C-N 3.35Å; M670-L672 PolarHBondContact O-N 3.33Å; L672-K675 PolarHBondContact O-N 3.2Å; L672-L676 WeakPolarHBondContact O-CB 3.42Å; L672-L676 PolarHBondContact O-N 3.2Å |
| 673 | R | 84.4 | Confident | 85.4 | Confident | 181 Ų | 181 | 96 Ų | 96 | 68% | 0.683 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.5 | -38.6 | 174.6 | -74.1 | 173.3 | -175.4 | -98.1 | 1.7 | 111.9 | S669 M670 L676 S677 | S669-R673 WeakPolarHBondContact O-CG 3.37Å; S669-R673 PolarHBondContact O-N 3Å; M670-R673 PolarHBondContact O-N 3.23Å; R673-L676 PolarHBondContact O-N 3.03Å; R673-S677 WeakPolarHBondContact O-CB 3Å; R673-S677 PolarHBondContact O-N 3.35Å |
| 674 | Q | 85.7 | Confident | 85.3 | Confident | 110 Ų | 110 | 98.3 Ų | 98.3 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -50 | 173.6 | -177.5 | -179.4 | 1.3 | 0 | 0 | 111 | M670 L671 L676 S677 E678 | M670-Q674 PolarHBondContact O-N 3.49Å; L671-Q674 WeakPolarHBondContact O-CB 3.15Å; L671-Q674 PolarHBondContact O-N 3.15Å; Q674-L676 VanDerWaalsContact C-N 3.29Å; Q674-L676 PolarHBondContact O-N 3.48Å; Q674-S677 WeakPolarHBondContact O-CA 3.21Å; Q674-S677 WeakPolarHBondContact O-CB 3.42Å; Q674-S677 PolarHBondContact O-N 3.09Å; Q674-E678 WeakPolarHBondContact CG-OE1 3.28Å; Q674-E678 PolarHBondContact NE2-OE1 3.27Å; Q674-E678 PolarHBondContact O-N 2.94Å |
| 675 | K | 86.9 | Confident | 85.3 | Confident | 122 Ų | 122 | 103.2 Ų | 103.2 | 53% | 0.53 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.7 | -39.3 | 176.3 | -72.9 | -178.3 | 178.9 | -179.6 | 0 | 112.7 | L671 L672 E678 L679 | L671-K675 WeakPolarHBondContact O-CG 3.43Å; L671-K675 PolarHBondContact O-N 3.25Å; L672-K675 PolarHBondContact O-N 3.2Å; K675-E678 PolarHBondContact O-N 3.48Å; K675-L679 WeakPolarHBondContact O-CB 3.45Å; K675-L679 PolarHBondContact O-N 3.5Å |
| 676 | L | 83.5 | Confident | 85.5 | Confident | 120 Ų | 120 | 101.1 Ų | 101.1 | 63% | 0.628 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.8 | -38.6 | 176 | -170.3 | 69.3 | 0 | 0 | 0 | 111.8 | L672 R673 Q674 L679 A680 | L672-L676 WeakPolarHBondContact O-CB 3.42Å; L672-L676 PolarHBondContact O-N 3.2Å; R673-L676 PolarHBondContact O-N 3.03Å; Q674-L676 VanDerWaalsContact C-N 3.29Å; Q674-L676 PolarHBondContact O-N 3.48Å; L676-L679 PolarHBondContact O-N 3.24Å; L676-A680 VanDerWaalsContact O-CB 3.29Å; L676-A680 WeakPolarHBondContact O-CB 3.2Å; L676-A680 PolarHBondContact O-N 2.9Å |
| 677 | S | 86.2 | Confident | 85.4 | Confident | 71 Ų | 71 | 103.2 Ų | 103.2 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 175 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | R673 Q674 A680 A681 | R673-S677 WeakPolarHBondContact O-CB 3Å; R673-S677 PolarHBondContact O-N 3.35Å; Q674-S677 WeakPolarHBondContact O-CA 3.21Å; Q674-S677 WeakPolarHBondContact O-CB 3.42Å; Q674-S677 PolarHBondContact O-N 3.09Å; S677-A680 PolarHBondContact O-N 3.41Å; S677-A681 WeakPolarHBondContact O-CB 3.39Å; S677-A681 PolarHBondContact O-N 2.89Å |
| 678 | E | 86 | Confident | 85.2 | Confident | 109 Ų | 109 | 101.4 Ų | 101.4 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 174.8 | -73.5 | 170.3 | -167.1 | 0 | 0 | 111.4 | Q674 K675 A680 A681 A682 | Q674-E678 WeakPolarHBondContact CG-OE1 3.28Å; Q674-E678 PolarHBondContact NE2-OE1 3.27Å; Q674-E678 PolarHBondContact O-N 2.94Å; K675-E678 PolarHBondContact O-N 3.48Å; E678-A680 PolarHBondContact O-N 3.2Å; E678-A681 WeakPolarHBondContact O-CB 3.43Å; E678-A681 PolarHBondContact O-N 3.41Å; E678-A682 PolarHBondContact O-N 3.22Å |
| 679 | L | 87.5 | Confident | 85.2 | Confident | 122 Ų | 122 | 100.2 Ų | 100.2 | 64% | 0.639 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 175.9 | -171 | 68.2 | 0 | 0 | 0 | 111.9 | K675 L676 A681 A682 F683 | K675-L679 WeakPolarHBondContact O-CB 3.45Å; K675-L679 PolarHBondContact O-N 3.5Å; L676-L679 PolarHBondContact O-N 3.24Å; L679-A681 VanDerWaalsContact C-N 3.33Å; L679-A681 PolarHBondContact O-N 2.93Å; L679-A682 PolarHBondContact O-N 3.36Å; L679-F683 WeakPolarHBondContact O-CB 3.36Å; L679-F683 PolarHBondContact O-N 2.88Å |
| 680 | A | 84.3 | Confident | 85.4 | Confident | 41 Ų | 41 | 102.7 Ų | 102.7 | 34% | 0.339 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.9 | -33.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L676 S677 E678 R684 | L676-A680 VanDerWaalsContact O-CB 3.29Å; L676-A680 WeakPolarHBondContact O-CB 3.2Å; L676-A680 PolarHBondContact O-N 2.9Å; S677-A680 PolarHBondContact O-N 3.41Å; E678-A680 PolarHBondContact O-N 3.2Å; A680-R684 WeakPolarHBondContact O-CG 3.28Å; A680-R684 PolarHBondContact O-N 3.48Å; A680-R684 PolarHBondContact O-NE 3.29Å |
| 681 | A | 84.9 | Confident | 85.3 | Confident | 48 Ų | 48 | 99.1 Ų | 99.1 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.1 | -44.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S677 E678 L679 F683 R684 Y685 | S677-A681 WeakPolarHBondContact O-CB 3.39Å; S677-A681 PolarHBondContact O-N 2.89Å; E678-A681 WeakPolarHBondContact O-CB 3.43Å; E678-A681 PolarHBondContact O-N 3.41Å; L679-A681 VanDerWaalsContact C-N 3.33Å; L679-A681 PolarHBondContact O-N 2.93Å; A681-F683 VanDerWaalsContact C-N 3.32Å; A681-F683 PolarHBondContact O-N 3.07Å; A681-R684 PolarHBondContact O-N 3.09Å; A681-Y685 PolarHBondContact O-N 3.21Å |
| 682 | A | 84.5 | Confident | 84.9 | Confident | 57 Ų | 57 | 99.8 Ų | 99.8 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | E678 L679 Y685 S686 | E678-A682 PolarHBondContact O-N 3.22Å; L679-A682 PolarHBondContact O-N 3.36Å; A682-Y685 PolarHBondContact O-N 3.35Å; A682-S686 PolarHBondContact O-N 2.96Å |
| 683 | F | 86.2 | Confident | 84.7 | Confident | 135 Ų | 135 | 97.4 Ų | 97.4 | 59% | 0.592 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -47.2 | 174.9 | -174.9 | -97 | 0 | 0 | 0 | 111.7 | L679 A681 Y685 S686 Q687 | L679-F683 WeakPolarHBondContact O-CB 3.36Å; L679-F683 PolarHBondContact O-N 2.88Å; A681-F683 VanDerWaalsContact C-N 3.32Å; A681-F683 PolarHBondContact O-N 3.07Å; F683-Y685 VanDerWaalsContact C-N 3.31Å; F683-Y685 PolarHBondContact O-N 3.36Å; F683-S686 PolarHBondContact O-N 3.24Å; F683-S686 PolarHBondContact O-OG 3.43Å; F683-Q687 PolarHBondContact O-N 3.25Å |
| 684 | R | 86.2 | Confident | 84.6 | Confident | 158 Ų | 158 | 95 Ų | 95 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.9 | -40.2 | 175.8 | -78 | -176.9 | -83.5 | -166.8 | -1.7 | 112.5 | A680 A681 Q687 A688 | A680-R684 WeakPolarHBondContact O-CG 3.28Å; A680-R684 PolarHBondContact O-N 3.48Å; A680-R684 PolarHBondContact O-NE 3.29Å; A681-R684 PolarHBondContact O-N 3.09Å; R684-Q687 PolarHBondContact O-N 2.94Å; R684-A688 WeakPolarHBondContact O-CB 3.5Å; R684-A688 PolarHBondContact O-N 3.25Å |
| 685 | Y | 85.4 | Confident | 84.4 | Confident | 156 Ų | 156 | 94.3 Ų | 94.3 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.5 | -46.5 | 174.4 | -177.3 | -96.3 | 0 | 0 | 0 | 111.6 | A681 A682 F683 Q687 A688 Q689 | A681-Y685 PolarHBondContact O-N 3.21Å; A682-Y685 PolarHBondContact O-N 3.35Å; F683-Y685 VanDerWaalsContact C-N 3.31Å; F683-Y685 PolarHBondContact O-N 3.36Å; Y685-Q687 VanDerWaalsContact C-N 3.34Å; Y685-Q687 PolarHBondContact O-N 3.41Å; Y685-A688 PolarHBondContact O-N 2.89Å; Y685-Q689 HydrophobicContact CD1-CG 4.25Å; Y685-Q689 HydrophobicContact CE1-CG 3.91Å; Y685-Q689 WeakPolarHBondContact O-CG 3.14Å; Y685-Q689 PolarHBondContact O-N 3.25Å; Y685-Q689 PolarHBondContact OH-NE2 3.44Å |
| 686 | S | 86.2 | Confident | 84.2 | Confident | 54 Ų | 54 | 92.2 Ų | 92.2 | 38% | 0.378 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 176.8 | 74.4 | 0 | 0 | 0 | 0 | 113 | A682 F683 Q689 L690 | A682-S686 PolarHBondContact O-N 2.96Å; F683-S686 PolarHBondContact O-N 3.24Å; F683-S686 PolarHBondContact O-OG 3.43Å; S686-Q689 PolarHBondContact O-N 3.09Å; S686-L690 PolarHBondContact O-N 3.35Å |
| 687 | Q | 85.1 | Confident | 84.2 | Confident | 116 Ų | 116 | 90.1 Ų | 90.1 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 176.5 | -169.6 | 177.3 | 25.8 | 0 | 0 | 111.5 | F683 R684 Y685 L690 A691 | F683-Q687 PolarHBondContact O-N 3.25Å; R684-Q687 PolarHBondContact O-N 2.94Å; Y685-Q687 VanDerWaalsContact C-N 3.34Å; Y685-Q687 PolarHBondContact O-N 3.41Å; Q687-L690 PolarHBondContact O-N 3.18Å; Q687-A691 PolarHBondContact O-N 2.97Å |
| 688 | A | 82.4 | Confident | 83.9 | Confident | 50 Ų | 50 | 90.2 Ų | 90.2 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R684 Y685 L690 A691 I692 | R684-A688 WeakPolarHBondContact O-CB 3.5Å; R684-A688 PolarHBondContact O-N 3.25Å; Y685-A688 PolarHBondContact O-N 2.89Å; A688-L690 PolarHBondContact O-N 3.48Å; A688-A691 PolarHBondContact O-N 3Å; A688-I692 VanDerWaalsContact O-CG1 3.31Å; A688-I692 WeakPolarHBondContact O-CG1 3.47Å; A688-I692 PolarHBondContact O-N 3.18Å |
| 689 | Q | 87.7 | Confident | 83.5 | Confident | 88 Ų | 88 | 87.8 Ų | 87.8 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 175.3 | -71.1 | -69.3 | 2.8 | 0 | 0 | 112.1 | Y685 S686 I692 A693 | Y685-Q689 HydrophobicContact CD1-CG 4.25Å; Y685-Q689 HydrophobicContact CE1-CG 3.91Å; Y685-Q689 WeakPolarHBondContact O-CG 3.14Å; Y685-Q689 PolarHBondContact O-N 3.25Å; Y685-Q689 PolarHBondContact OH-NE2 3.44Å; S686-Q689 PolarHBondContact O-N 3.09Å; Q689-I692 PolarHBondContact O-N 3.15Å; Q689-A693 PolarHBondContact O-N 3.13Å |
| 690 | L | 82 | Confident | 83.3 | Confident | 101 Ų | 101 | 84.2 Ų | 84.2 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 173.3 | -85.4 | 164.2 | 0 | 0 | 0 | 112.1 | S686 Q687 A688 I692 A693 H694 | S686-L690 PolarHBondContact O-N 3.35Å; Q687-L690 PolarHBondContact O-N 3.18Å; A688-L690 PolarHBondContact O-N 3.48Å; L690-I692 VanDerWaalsContact C-N 3.35Å; L690-I692 PolarHBondContact O-N 3.06Å; L690-A693 PolarHBondContact O-N 3.49Å; L690-H694 PolarHBondContact O-CD2 3.05Å; L690-H694 PolarHBondContact O-N 3.27Å |
| 691 | A | 81.7 | Confident | 83 | Confident | 53 Ų | 53 | 87.7 Ų | 87.7 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q687 A688 H694 T695 | Q687-A691 PolarHBondContact O-N 2.97Å; A688-A691 PolarHBondContact O-N 3Å; A691-H694 PolarHBondContact O-N 2.99Å; A691-T695 WeakPolarHBondContact O-CG2 3.3Å; A691-T695 PolarHBondContact O-N 3.26Å; A691-T695 PolarHBondContact O-OG1 3.14Å |
| 692 | I | 80 | Confident | 82.7 | Confident | 100 Ų | 100 | 88.1 Ų | 88.1 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 175.4 | -66.2 | 164.3 | 0 | 0 | 0 | 111.1 | A688 Q689 L690 H694 T695 S696 | A688-I692 VanDerWaalsContact O-CG1 3.31Å; A688-I692 WeakPolarHBondContact O-CG1 3.47Å; A688-I692 PolarHBondContact O-N 3.18Å; Q689-I692 PolarHBondContact O-N 3.15Å; L690-I692 VanDerWaalsContact C-N 3.35Å; L690-I692 PolarHBondContact O-N 3.06Å; I692-H694 VanDerWaalsContact C-N 3.34Å; I692-H694 PolarHBondContact O-N 2.68Å; I692-T695 PolarHBondContact O-N 3.26Å; I692-T695 PolarHBondContact O-OG1 3.35Å; I692-S696 WeakPolarHBondContact O-CB 3.25Å; I692-S696 PolarHBondContact O-N 3.12Å |
| 693 | A | 82.3 | Confident | 82.4 | Confident | 53 Ų | 53 | 89.4 Ų | 89.4 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q689 L690 T697 | Q689-A693 PolarHBondContact O-N 3.13Å; L690-A693 PolarHBondContact O-N 3.49Å; A693-T697 WeakPolarHBondContact O-CB 3.44Å; A693-T697 PolarHBondContact O-N 3.43Å; A693-T697 PolarHBondContact O-OG1 2.88Å |
| 694 | H | 82.3 | Confident | 82 | Confident | 131 Ų | 131 | 88.5 Ų | 88.5 | 61% | 0.606 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67 | -42.4 | 176.2 | -82.4 | -66.8 | 0 | 0 | 0 | 112.9 | L690 A691 I692 T697 S698 | L690-H694 PolarHBondContact O-CD2 3.05Å; L690-H694 PolarHBondContact O-N 3.27Å; A691-H694 PolarHBondContact O-N 2.99Å; I692-H694 VanDerWaalsContact C-N 3.34Å; I692-H694 PolarHBondContact O-N 2.68Å; H694-T697 PolarHBondContact O-N 2.9Å; H694-S698 WeakPolarHBondContact O-CB 3.47Å; H694-S698 PolarHBondContact O-N 2.66Å |
| 695 | T | 81.5 | Confident | 81.5 | Confident | 95 Ų | 95 | 87.5 Ų | 87.5 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.3 | -38.5 | 177.1 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | A691 I692 S698 A699 | A691-T695 WeakPolarHBondContact O-CG2 3.3Å; A691-T695 PolarHBondContact O-N 3.26Å; A691-T695 PolarHBondContact O-OG1 3.14Å; I692-T695 PolarHBondContact O-N 3.26Å; I692-T695 PolarHBondContact O-OG1 3.35Å; T695-S698 PolarHBondContact O-N 3.37Å; T695-A699 WeakPolarHBondContact O-CB 3.32Å; T695-A699 PolarHBondContact O-N 3.36Å |
| 696 | S | 82.5 | Confident | 81.1 | Confident | 79 Ų | 79 | 83 Ų | 83 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.1 | -44.7 | 172.4 | -176.1 | 0 | 0 | 0 | 0 | 112 | I692 A699 A700 | I692-S696 WeakPolarHBondContact O-CB 3.25Å; I692-S696 PolarHBondContact O-N 3.12Å; S696-A699 PolarHBondContact O-N 3.05Å; S696-A700 WeakPolarHBondContact O-CB 3.39Å; S696-A700 PolarHBondContact O-N 3.04Å |
| 697 | T | 83.6 | Confident | 80.6 | Confident | 76 Ų | 76 | 86.4 Ų | 86.4 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | A693 H694 A700 Q701 | A693-T697 WeakPolarHBondContact O-CB 3.44Å; A693-T697 PolarHBondContact O-N 3.43Å; A693-T697 PolarHBondContact O-OG1 2.88Å; H694-T697 PolarHBondContact O-N 2.9Å; T697-A700 WeakPolarHBondContact O-CB 3.46Å; T697-A700 PolarHBondContact O-N 2.7Å; T697-Q701 WeakPolarHBondContact O-CG 3.41Å; T697-Q701 PolarHBondContact O-N 3.12Å |
| 698 | S | 78.7 | Confident | 80.1 | Confident | 73 Ų | 73 | 83.9 Ų | 83.9 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 176.8 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | H694 T695 A700 Q701 A702 | H694-S698 WeakPolarHBondContact O-CB 3.47Å; H694-S698 PolarHBondContact O-N 2.66Å; T695-S698 PolarHBondContact O-N 3.37Å; S698-A700 VanDerWaalsContact C-N 3.35Å; S698-A700 PolarHBondContact O-N 3.26Å; S698-Q701 PolarHBondContact O-N 2.89Å; S698-A702 WeakPolarHBondContact O-CB 3.34Å; S698-A702 PolarHBondContact O-N 3.32Å |
| 699 | A | 78.8 | Confident | 79.7 | Confident | 57 Ų | 57 | 87.9 Ų | 87.9 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | T695 S696 A702 T703 | T695-A699 WeakPolarHBondContact O-CB 3.32Å; T695-A699 PolarHBondContact O-N 3.36Å; S696-A699 PolarHBondContact O-N 3.05Å; A699-A702 PolarHBondContact O-N 3Å; A699-T703 WeakPolarHBondContact O-CG2 3.3Å; A699-T703 PolarHBondContact O-N 3.18Å; A699-T703 PolarHBondContact O-OG1 3.1Å |
| 700 | A | 82.1 | Confident | 79 | Confident | 47 Ų | 47 | 86.4 Ų | 86.4 | 39% | 0.388 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | S696 T697 S698 T703 I704 | S696-A700 WeakPolarHBondContact O-CB 3.39Å; S696-A700 PolarHBondContact O-N 3.04Å; T697-A700 WeakPolarHBondContact O-CB 3.46Å; T697-A700 PolarHBondContact O-N 2.7Å; S698-A700 VanDerWaalsContact C-N 3.35Å; S698-A700 PolarHBondContact O-N 3.26Å; A700-T703 WeakPolarHBondContact CA-OG1 3.45Å; A700-T703 PolarHBondContact O-OG1 2.97Å; A700-I704 WeakPolarHBondContact O-CD1 3.37Å; A700-I704 VanDerWaalsContact O-CG1 3.26Å; A700-I704 WeakPolarHBondContact O-CG1 3.46Å; A700-I704 PolarHBondContact O-N 2.62Å; A700-I704 VanDerWaalsContact O-N 3.1Å |
| 701 | Q | 79 | Confident | 78.4 | Confident | 114 Ų | 114 | 85.3 Ų | 85.3 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 175.2 | -74.8 | 179.2 | -7.8 | 0 | 0 | 112.8 | T697 S698 T703 I704 M705 | T697-Q701 WeakPolarHBondContact O-CG 3.41Å; T697-Q701 PolarHBondContact O-N 3.12Å; S698-Q701 PolarHBondContact O-N 2.89Å; Q701-T703 PolarHBondContact O-N 2.94Å; Q701-I704 PolarHBondContact O-N 3.37Å; Q701-M705 PolarHBondContact O-N 3.32Å |
| 702 | A | 78.1 | Confident | 77.8 | Confident | 58 Ų | 58 | 85.7 Ų | 85.7 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S698 A699 M705 A706 | S698-A702 WeakPolarHBondContact O-CB 3.34Å; S698-A702 PolarHBondContact O-N 3.32Å; A699-A702 PolarHBondContact O-N 3Å; A702-M705 PolarHBondContact O-N 3.04Å; A702-A706 WeakPolarHBondContact O-CB 3.36Å; A702-A706 PolarHBondContact O-N 3.19Å |
| 703 | T | 79.1 | Confident | 77.2 | Confident | 83 Ų | 83 | 86 Ų | 86 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 175 | 46.5 | 0 | 0 | 0 | 0 | 112.3 | A699 A700 Q701 A706 L707 | A699-T703 WeakPolarHBondContact O-CG2 3.3Å; A699-T703 PolarHBondContact O-N 3.18Å; A699-T703 PolarHBondContact O-OG1 3.1Å; A700-T703 WeakPolarHBondContact CA-OG1 3.45Å; A700-T703 PolarHBondContact O-OG1 2.97Å; Q701-T703 PolarHBondContact O-N 2.94Å; T703-A706 PolarHBondContact O-N 3.45Å; T703-L707 WeakPolarHBondContact O-CG 3.35Å; T703-L707 PolarHBondContact O-N 3.29Å |
| 704 | I | 76.2 | Confident | 76.2 | Confident | 116 Ų | 116 | 90.5 Ų | 90.5 | 60% | 0.595 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.7 | -44.6 | 172.8 | -67.8 | 165.9 | 0 | 0 | 0 | 111 | A700 Q701 L707 A708 | A700-I704 WeakPolarHBondContact O-CD1 3.37Å; A700-I704 VanDerWaalsContact O-CG1 3.26Å; A700-I704 WeakPolarHBondContact O-CG1 3.46Å; A700-I704 PolarHBondContact O-N 2.62Å; A700-I704 VanDerWaalsContact O-N 3.1Å; Q701-I704 PolarHBondContact O-N 3.37Å; I704-L707 PolarHBondContact O-N 3.37Å; I704-A708 WeakPolarHBondContact O-CB 3.49Å; I704-A708 PolarHBondContact O-N 2.83Å |
| 705 | M | 77.4 | Confident | 75.2 | Confident | 138 Ų | 138 | 88.2 Ų | 88.2 | 68% | 0.68 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.9 | -39.9 | 176.4 | -77.8 | -171.4 | -159.9 | 0 | 0 | 112.8 | Q701 A702 A708 K709 | Q701-M705 PolarHBondContact O-N 3.32Å; A702-M705 PolarHBondContact O-N 3.04Å; M705-A708 PolarHBondContact O-N 3.46Å; M705-K709 WeakPolarHBondContact O-CB 3.43Å; M705-K709 PolarHBondContact O-N 2.89Å |
| 706 | A | 76.1 | Confident | 74.1 | Confident | 60 Ų | 60 | 88.4 Ų | 88.4 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A702 T703 K709 A710 | A702-A706 WeakPolarHBondContact O-CB 3.36Å; A702-A706 PolarHBondContact O-N 3.19Å; T703-A706 PolarHBondContact O-N 3.45Å; A706-K709 PolarHBondContact O-N 2.9Å; A706-A710 WeakPolarHBondContact O-CB 3.24Å; A706-A710 PolarHBondContact O-N 2.93Å |
| 707 | L | 75 | Confident | 72.7 | Confident | 127 Ų | 127 | 91.3 Ų | 91.3 | 67% | 0.665 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.6 | -41.3 | 174.1 | -75 | 166.2 | 0 | 0 | 0 | 111.9 | T703 I704 A710 S711 | T703-L707 WeakPolarHBondContact O-CG 3.35Å; T703-L707 PolarHBondContact O-N 3.29Å; I704-L707 PolarHBondContact O-N 3.37Å; L707-A710 PolarHBondContact O-N 3.09Å; L707-S711 WeakPolarHBondContact O-CB 3.36Å; L707-S711 PolarHBondContact O-N 3.49Å |
| 708 | A | 75 | Confident | 71.3 | Confident | 62 Ų | 62 | 94.1 Ų | 94.1 | 51% | 0.512 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | I704 M705 S711 A712 | I704-A708 WeakPolarHBondContact O-CB 3.49Å; I704-A708 PolarHBondContact O-N 2.83Å; M705-A708 PolarHBondContact O-N 3.46Å; A708-S711 PolarHBondContact O-N 3.42Å; A708-A712 PolarHBondContact O-N 3.25Å |
| 709 | K | 74.8 | Confident | 70.2 | Confident | 135 Ų | 135 | 99.6 Ų | 99.6 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.8 | -44.9 | 176.5 | -172.6 | 177.5 | 176 | -173.8 | 0 | 112.3 | M705 A706 S711 A712 E713 | M705-K709 WeakPolarHBondContact O-CB 3.43Å; M705-K709 PolarHBondContact O-N 2.89Å; A706-K709 PolarHBondContact O-N 2.9Å; K709-S711 VanDerWaalsContact C-N 3.26Å; K709-S711 PolarHBondContact O-N 3.31Å; K709-A712 PolarHBondContact O-N 2.92Å; K709-A712 VanDerWaalsContact O-N 3.1Å; K709-E713 WeakPolarHBondContact CE-OE1 3.36Å; K709-E713 IonicContact NZ-OE1 3.98Å; K709-E713 PolarHBondContact O-N 3.15Å |
| 710 | A | 73.1 | Confident | 68.6 | Low | 57 Ų | 57 | 102.9 Ų | 102.9 | 47% | 0.471 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.6 | -35.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A706 L707 K714 | A706-A710 WeakPolarHBondContact O-CB 3.24Å; A706-A710 PolarHBondContact O-N 2.93Å; L707-A710 PolarHBondContact O-N 3.09Å; A710-K714 PolarHBondContact O-N 3.22Å; A710-K714 VanDerWaalsContact O-N 3.12Å |
| 711 | S | 69.8 | Low | 66.6 | Low | 77 Ų | 77 | 109.3 Ų | 109.3 | 54% | 0.538 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66 | -39.1 | 173.2 | -173.6 | 0 | 0 | 0 | 0 | 112.5 | L707 A708 K709 V715 | L707-S711 WeakPolarHBondContact O-CB 3.36Å; L707-S711 PolarHBondContact O-N 3.49Å; A708-S711 PolarHBondContact O-N 3.42Å; K709-S711 VanDerWaalsContact C-N 3.26Å; K709-S711 PolarHBondContact O-N 3.31Å; S711-V715 PolarHBondContact O-N 3.01Å |
| 712 | A | 69.1 | Low | 64.9 | Low | 62 Ų | 62 | 112.1 Ų | 112.1 | 51% | 0.512 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.3 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A708 K709 K714 V715 N716 | A708-A712 PolarHBondContact O-N 3.25Å; K709-A712 PolarHBondContact O-N 2.92Å; K709-A712 VanDerWaalsContact O-N 3.1Å; A712-K714 VanDerWaalsContact C-N 3.33Å; A712-K714 PolarHBondContact O-N 2.93Å; A712-V715 PolarHBondContact O-N 3.48Å; A712-N716 PolarHBondContact O-N 3.17Å; A712-N716 VanDerWaalsContact O-N 3.11Å |
| 713 | E | 67 | Low | 62.8 | Low | 107 Ų | 107 | 117.9 Ų | 117.9 | 50% | 0.5 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.2 | -34.4 | 176.9 | -76.3 | 176.3 | -179 | 0 | 0 | 112.2 | K709 V715 N716 M717 | K709-E713 WeakPolarHBondContact CE-OE1 3.36Å; K709-E713 IonicContact NZ-OE1 3.98Å; K709-E713 PolarHBondContact O-N 3.15Å; E713-V715 VanDerWaalsContact C-N 3.34Å; E713-V715 PolarHBondContact O-N 3Å; E713-N716 PolarHBondContact O-N 3.42Å; E713-N716 VanDerWaalsContact O-N 3.17Å; E713-M717 PolarHBondContact O-N 3.36Å |
| 714 | K | 60.5 | Low | 60.4 | Low | 146 Ų | 146 | 122.1 Ų | 122.1 | 64% | 0.635 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.8 | -41 | 173.6 | -166.3 | 179.9 | 179.1 | -174.2 | 0 | 112.2 | A710 A712 N716 E718 | A710-K714 PolarHBondContact O-N 3.22Å; A710-K714 VanDerWaalsContact O-N 3.12Å; A712-K714 VanDerWaalsContact C-N 3.33Å; A712-K714 PolarHBondContact O-N 2.93Å; K714-N716 VanDerWaalsContact C-N 3.3Å; K714-N716 PolarHBondContact O-N 3.46Å; K714-E718 PolarHBondContact O-N 2.87Å |
| 715 | V | 62.6 | Low | 58.1 | Low | 83 Ų | 83 | 122.8 Ų | 122.8 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.2 | -32.9 | 175.7 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | S711 A712 E713 R719 | S711-V715 PolarHBondContact O-N 3.01Å; A712-V715 PolarHBondContact O-N 3.48Å; E713-V715 VanDerWaalsContact C-N 3.34Å; E713-V715 PolarHBondContact O-N 3Å; V715-R719 PolarHBondContact O-N 3.24Å |
| 716 | N | 57.2 | Low | 56 | Low | 99 Ų | 99 | 122.9 Ų | 122.9 | 53% | 0.529 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -78.3 | -34.8 | -179.3 | -140.8 | 21 | 0 | 0 | 0 | 112.7 | A712 E713 K714 R719 L720 | A712-N716 PolarHBondContact O-N 3.17Å; A712-N716 VanDerWaalsContact O-N 3.11Å; E713-N716 PolarHBondContact O-N 3.42Å; E713-N716 VanDerWaalsContact O-N 3.17Å; K714-N716 VanDerWaalsContact C-N 3.3Å; K714-N716 PolarHBondContact O-N 3.46Å; N716-R719 PolarHBondContact O-N 2.89Å; N716-L720 PolarHBondContact O-N 3.26Å; N716-L720 VanDerWaalsContact O-N 3.12Å |
| 717 | M | 53.5 | Low | 53.6 | Low | 141 Ų | 141 | 127 Ų | 127 | 70% | 0.695 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -62.7 | -39.1 | 171.6 | -87.8 | -95.6 | -69.7 | 0 | 0 | 112.3 | E713 R719 L720 | E713-M717 PolarHBondContact O-N 3.36Å; M717-R719 VanDerWaalsContact C-N 3.25Å; M717-R719 PolarHBondContact O-N 3.43Å; M717-L720 PolarHBondContact O-N 2.81Å |
| 718 | E | 54 | Low | 51.3 | Low | 134 Ų | 134 | 129.1 Ų | 129.1 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -65.9 | -26.3 | 175.3 | -79.9 | 178 | 176.9 | 0 | 0 | 113 | K714 | K714-E718 PolarHBondContact O-N 2.87Å |
| 719 | R | 54.9 | Low | 49 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -81.3 | -31.2 | 174.3 | -78.7 | -173.1 | 173.8 | -178.4 | -0.7 | 113.8 | V715 N716 M717 Q721 Q722 | V715-R719 PolarHBondContact O-N 3.24Å; N716-R719 PolarHBondContact O-N 2.89Å; M717-R719 VanDerWaalsContact C-N 3.25Å; M717-R719 PolarHBondContact O-N 3.43Å; R719-Q721 VanDerWaalsContact C-N 3.3Å; R719-Q721 PolarHBondContact O-N 3.23Å; R719-Q722 PolarHBondContact O-N 3.47Å |
| 720 | L | 46.1 | Very low | 46.6 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 66% | 0.66 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -76 | -14 | -178.3 | -79.6 | 161 | 0 | 0 | 0 | 113.9 | N716 M717 Q722 | N716-L720 PolarHBondContact O-N 3.26Å; N716-L720 VanDerWaalsContact O-N 3.12Å; M717-L720 PolarHBondContact O-N 2.81Å; L720-Q722 PolarHBondContact O-N 3.26Å |
| 721 | Q | 40.9 | Very low | 44.2 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -9.4 | 171.3 | -156.7 | 96.2 | 52.5 | 0 | 0 | 113.2 | R719 | R719-Q721 VanDerWaalsContact C-N 3.3Å; R719-Q721 PolarHBondContact O-N 3.23Å |
| 722 | Q | 42.7 | Very low | 42.1 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 7.4 | -175.1 | -81.6 | -177.6 | 6.8 | 0 | 0 | 116.3 | R719 L720 | R719-Q722 PolarHBondContact O-N 3.47Å; L720-Q722 PolarHBondContact O-N 3.26Å |
| 723 | Q | 33.2 | Very low | 39.9 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | trans | -129.8 | 83.2 | 174.6 | -77.7 | -173.2 | -22.7 | 0 | 0 | 111.7 | ||||
| 724 | H | 29.6 | Very low | 38 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | -93 | 139.7 | 160.5 | -144.6 | -82.1 | 0 | 0 | 0 | 108.6 | ||||
| 725 | N | 28.2 | Very low | 36.7 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | 84.9 | 100.3 | 170.2 | -54.6 | -23.1 | 0 | 0 | 0 | 116.8 | ||||
| 726 | T | 31.8 | Very low | 35.9 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | 179.5 | 149.3 | 85.2 | 41.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 727 | D | 26.1 | Very low | 34.2 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | -54.7 | 148.3 | -173.5 | -56.1 | -67.8 | 0 | 0 | 0 | 116.8 | ||||
| 728 | I | 28 | Very low | 32.8 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | 168.4 | 138.6 | 109.4 | -81.6 | 161.1 | 0 | 0 | 0 | 111.4 | |||||
| 729 | S | 25 | Very low | 31.4 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -64.6 | 139 | -172 | 176 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 730 | L | 24.5 | Very low | 30.1 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | 5.8 | 124.2 | 137.9 | -67.1 | 154.1 | 0 | 0 | 0 | 117.4 | ||||
| 731 | Q | 23.7 | Very low | 29 | Very low | 198 Ų | 198 | 143.7 Ų | 143.7 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -149.2 | 138 | 140.7 | -124 | 167.6 | -0.6 | 0 | 0 | 113.1 | ||||
| 732 | N | 24.6 | Very low | 28.3 | Very low | 136 Ų | 136 | 144 Ų | 144 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -81.5 | 165.1 | -167.4 | -75.4 | -41.4 | 0 | 0 | 0 | 114.4 | ||||
| 733 | S | 24.6 | Very low | 27.4 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 75.4 | 134.3 | 139.1 | 72.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 734 | V | 26.6 | Very low | 27 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | -177.9 | 144.6 | 107.7 | 155.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 735 | C | 32 | Very low | 26.9 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -61.8 | -156.7 | 172.8 | -50.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 736 | P | 46.1 | Very low | 27 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | cis | -134.3 | -174.1 | -33.6 | 22.5 | 2 | 0 | 0 | 0 | 113.7 | ||||
| 737 | S | 22.6 | Very low | 27 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 101.8 | 106.8 | 144.6 | -83.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 738 | S | 23.8 | Very low | 27.4 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | 69.7 | 116.5 | 121.9 | 78.5 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 739 | V | 24.1 | Very low | 27.8 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | 74.7 | 112.6 | 145 | -173.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 740 | V | 27.8 | Very low | 28.6 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | -165.7 | 133.4 | 127.9 | 166.9 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 741 | E | 23.9 | Very low | 29.4 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -69.5 | 136.1 | 171 | -71.6 | 170 | 131.8 | 0 | 0 | 113.4 | ||||
| 742 | K | 24.9 | Very low | 30.2 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | -179.4 | 122.7 | 135.7 | -107 | -177.7 | 174.6 | 173.9 | 0 | 112.1 | ||||
| 743 | Y | 23.8 | Very low | 30.9 | Very low | 202 Ų | 202 | 134.4 Ų | 134.4 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | 37.2 | 88.5 | 155.4 | -64.5 | -75.7 | 0 | 0 | 0 | 119.5 | T745 | Y743-T745 PolarHBondContact O-N 2.83Š| ||
| 744 | E | 25 | Very low | 31.6 | Very low | 179 Ų | 179 | 134.2 Ų | 134.2 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | 22.2 | 94.1 | 118.3 | -67.2 | 177.8 | 172.2 | 0 | 0 | 116.9 | |||||
| 745 | T | 28.9 | Very low | 32.4 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 81% | 0.81 | 71% | 0.712 | S | S | * | * | trans | -127.5 | 72.5 | 148.8 | -20 | 0 | 0 | 0 | 0 | 106.3 | Y743 Q747 | Y743-T745 PolarHBondContact O-N 2.83Å; T745-Q747 PolarHBondContact O-N 3.45Å | ||
| 746 | E | 28.8 | Very low | 32.7 | Very low | 180 Ų | 180 | 134.5 Ų | 134.5 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | trans | -73.1 | 100.7 | 175.4 | -73.5 | -159.2 | 160.9 | 0 | 0 | 109.4 | S748 | E746-S748 PolarHBondContact O-N 3.35Š| ||
| 747 | Q | 33.3 | Very low | 32.4 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | trans | -64 | 81 | 159.1 | -66.8 | 177.5 | 1.8 | 0 | 0 | 108.5 | T745 S749 | T745-Q747 PolarHBondContact O-N 3.45Å; Q747-S749 PolarHBondContact O-N 3.5Å | ||
| 748 | S | 32.8 | Very low | 33.1 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 60% | 0.601 | 70% | 0.695 | S | S | * | * | trans | -69.9 | 120.8 | 168.1 | 61 | 0 | 0 | 0 | 0 | 108.8 | E746 | E746-S748 PolarHBondContact O-N 3.35Š| ||
| 749 | S | 37.4 | Very low | 33.9 | Very low | 62 Ų | 62 | 134.9 Ų | 134.9 | 43% | 0.434 | 69% | 0.691 | S | S | . | * | trans | -58.7 | 144.2 | -178 | 77 | 0 | 0 | 0 | 0 | 111.6 | Q747 I751 D752 | Q747-S749 PolarHBondContact O-N 3.5Å; S749-I751 PolarHBondContact O-N 3.33Å; S749-D752 PolarHBondContact O-N 3.16Å; S749-D752 VanDerWaalsContact O-N 3.1Å | ||
| 750 | P | 42.5 | Very low | 34.2 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 66% | 0.662 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -57 | -16.9 | -173.9 | -26.7 | 34 | 0 | 0 | 0 | 115.8 | F753 I754 | P750-F753 PolarHBondContact O-N 3.5Å; P750-I754 PolarHBondContact O-N 3.14Å |
| 751 | I | 39.5 | Very low | 34.3 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -71.3 | -34.4 | -180 | -59.4 | 177.1 | 0 | 0 | 0 | 111 | S749 I754 S755 | S749-I751 PolarHBondContact O-N 3.33Å; I751-I754 PolarHBondContact O-N 2.97Å; I751-S755 PolarHBondContact O-N 3.23Å; I751-S755 PolarHBondContact O-OG 2.64Å |
| 752 | D | 40.7 | Very low | 34.4 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 52% | 0.524 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -75.2 | -26.7 | 178.3 | -72.8 | -33.4 | 0 | 0 | 0 | 112.7 | S749 R756 | S749-D752 PolarHBondContact O-N 3.16Å; S749-D752 VanDerWaalsContact O-N 3.1Å; D752-R756 PolarHBondContact O-N 2.86Å |
| 753 | F | 40.5 | Very low | 34.5 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 60% | 0.601 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.5 | -36.8 | 174.6 | -164.2 | -99.3 | 0 | 0 | 0 | 111.8 | P750 R756 L757 | P750-F753 PolarHBondContact O-N 3.5Å; F753-R756 PolarHBondContact O-N 3.32Å; F753-L757 HydrophobicContact CD1-CD1 4.03Å; F753-L757 HydrophobicContact CE1-CD1 3.46Å; F753-L757 VanDerWaalsContact CE1-CD1 3.46Å; F753-L757 HydrophobicContact CZ-CD1 3.77Å; F753-L757 PolarHBondContact O-N 2.99Å |
| 754 | I | 39.6 | Very low | 34.6 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 54% | 0.544 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -67.6 | -41.3 | 174.5 | -64.3 | 172.2 | 0 | 0 | 0 | 110.5 | P750 I751 R756 L757 I758 | P750-I754 PolarHBondContact O-N 3.14Å; I751-I754 PolarHBondContact O-N 2.97Å; I754-R756 VanDerWaalsContact C-N 3.33Å; I754-R756 PolarHBondContact O-N 2.89Å; I754-L757 PolarHBondContact O-N 3.4Å; I754-I758 HydrophobicContact CG2-CD1 3.95Å; I754-I758 WeakPolarHBondContact O-CG1 3.34Å; I754-I758 PolarHBondContact O-N 3.5Å |
| 755 | S | 41.9 | Very low | 34.6 | Very low | 66 Ų | 66 | 126.7 Ų | 126.7 | 46% | 0.462 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -63.2 | -37.7 | 174.8 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | I751 T759 | I751-S755 PolarHBondContact O-N 3.23Å; I751-S755 PolarHBondContact O-OG 2.64Å; S755-T759 PolarHBondContact O-N 3.01Å; S755-T759 PolarHBondContact O-OG1 3.18Å |
| 756 | R | 39.4 | Very low | 34.4 | Very low | 192 Ų | 192 | 129.7 Ų | 129.7 | 73% | 0.725 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.3 | -31.9 | 174.5 | -90.4 | -179.8 | 171.6 | 155.1 | -1.5 | 113.7 | D752 F753 I754 N760 | D752-R756 PolarHBondContact O-N 2.86Å; F753-R756 PolarHBondContact O-N 3.32Å; I754-R756 VanDerWaalsContact C-N 3.33Å; I754-R756 PolarHBondContact O-N 2.89Å; R756-N760 PolarHBondContact O-N 3.19Å |
| 757 | L | 40.1 | Very low | 34.3 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 57% | 0.565 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.3 | -38.7 | 177 | -122.1 | 91.4 | 0 | 0 | 0 | 112.6 | F753 I754 | F753-L757 HydrophobicContact CD1-CD1 4.03Å; F753-L757 HydrophobicContact CE1-CD1 3.46Å; F753-L757 VanDerWaalsContact CE1-CD1 3.46Å; F753-L757 HydrophobicContact CZ-CD1 3.77Å; F753-L757 PolarHBondContact O-N 2.99Å; I754-L757 PolarHBondContact O-N 3.4Å |
| 758 | I | 36.8 | Very low | 34.1 | Very low | 121 Ų | 121 | 123 Ų | 123 | 62% | 0.621 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71 | -33.2 | 179 | -64.8 | 173.1 | 0 | 0 | 0 | 111.2 | I754 N760 T761 | I754-I758 HydrophobicContact CG2-CD1 3.95Å; I754-I758 WeakPolarHBondContact O-CG1 3.34Å; I754-I758 PolarHBondContact O-N 3.5Å; I758-N760 PolarHBondContact O-N 2.81Å; I758-T761 PolarHBondContact O-OG1 3.39Å |
| 759 | T | 40.4 | Very low | 33.8 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.2 | -27.1 | -179 | -43 | 0 | 0 | 0 | 0 | 112.8 | S755 | S755-T759 PolarHBondContact O-N 3.01Å; S755-T759 PolarHBondContact O-OG1 3.18Å |
| 760 | N | 29.6 | Very low | 33.5 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 4 | -175 | -75 | -19 | 0 | 0 | 0 | 115.6 | R756 I758 | R756-N760 PolarHBondContact O-N 3.19Å; I758-N760 PolarHBondContact O-N 2.81Å |
| 761 | T | 30.8 | Very low | 32.8 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 14.7 | 171.7 | 46.8 | 0 | 0 | 0 | 0 | 113.8 | I758 I763 | I758-T761 PolarHBondContact O-OG1 3.39Å; T761-I763 PolarHBondContact O-N 3.34Å |
| 762 | W | 25.2 | Very low | 32.4 | Very low | 200 Ų | 200 | 132.8 Ų | 132.8 | 76% | 0.758 | 70% | 0.701 | S | S | * | * | trans | -92.5 | 72.6 | 169.3 | -134.7 | 54.6 | 0 | 0 | 0 | 110.4 | H764 | W762-H764 AromaticContact CE3-CE1 3.21Å; W762-H764 AromaticContact CE3-ND1 3.55Å; W762-H764 AromaticContact CE3-NE2 3.9Å; W762-H764 AromaticContact CH2-CE1 3.71Å; W762-H764 AromaticContact CZ3-CE1 2.92Å; W762-H764 WeakPolarHBondContact CZ3-CE1 3.48Å; W762-H764 AromaticContact CZ3-ND1 3.55Å; W762-H764 AromaticContact CZ3-NE2 3.81Å; W762-H764 PolarHBondContact O-N 2.83Å; W762-H764 VanDerWaalsContact O-N 3.11Å | ||
| 763 | I | 28.5 | Very low | 31.8 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 82% | 0.821 | 72% | 0.715 | S | S | * | * | trans | -71.8 | 102.6 | 165.7 | -64.9 | 175.9 | 0 | 0 | 0 | 106.7 | T761 S765 | T761-I763 PolarHBondContact O-N 3.34Å; I763-S765 PolarHBondContact O-N 2.86Å | ||
| 764 | H | 25.5 | Very low | 31.3 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 63% | 0.625 | 73% | 0.726 | S | S | * | * | trans | -56.6 | 99.9 | 170 | -79.3 | -47 | 0 | 0 | 0 | 111.3 | W762 Q766 | W762-H764 AromaticContact CE3-CE1 3.21Å; W762-H764 AromaticContact CE3-ND1 3.55Å; W762-H764 AromaticContact CE3-NE2 3.9Å; W762-H764 AromaticContact CH2-CE1 3.71Å; W762-H764 AromaticContact CZ3-CE1 2.92Å; W762-H764 WeakPolarHBondContact CZ3-CE1 3.48Å; W762-H764 AromaticContact CZ3-ND1 3.55Å; W762-H764 AromaticContact CZ3-NE2 3.81Å; W762-H764 PolarHBondContact O-N 2.83Å; W762-H764 VanDerWaalsContact O-N 3.11Å; H764-Q766 PolarHBondContact O-N 3.33Å | ||
| 765 | S | 24.9 | Very low | 30.6 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | -74 | 98.4 | 151.1 | 68 | 0 | 0 | 0 | 0 | 107.6 | I763 A767 | I763-S765 PolarHBondContact O-N 2.86Å; S765-A767 PolarHBondContact O-N 3.43Å | ||
| 766 | Q | 24.1 | Very low | 29.7 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | -64.6 | 88.6 | 159.6 | -80.5 | 179.3 | -6.2 | 0 | 0 | 107.9 | H764 | H764-Q766 PolarHBondContact O-N 3.33Š| ||
| 767 | A | 27.8 | Very low | 28.9 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 65% | 0.653 | 76% | 0.762 | S | S | * | * | trans | -115.6 | 101.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | S765 | S765-A767 PolarHBondContact O-N 3.43Š| ||
| 768 | N | 27.6 | Very low | 28.3 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 28.4 | 105.5 | 148.2 | -150.7 | 12.8 | 0 | 0 | 0 | 116.7 | N770 | N768-N770 PolarHBondContact O-N 3.41Š| ||
| 769 | N | 27.9 | Very low | 27.7 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -53.8 | 102.4 | 168.6 | -67.8 | -33.6 | 0 | 0 | 0 | 110.7 | ||
| 770 | N | 30.1 | Very low | 27 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -154.3 | 77.8 | 152.4 | -88.6 | -25.7 | 0 | 0 | 0 | 106.8 | N768 | N768-N770 PolarHBondContact O-N 3.41Š| ||
| 771 | S | 28.5 | Very low | 26.9 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -101.6 | 98.6 | 174.8 | 58.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 772 | D | 31.1 | Very low | 26.6 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -126.6 | 106.5 | 149.9 | -92.2 | -29.5 | 0 | 0 | 0 | 107.8 | ||||
| 773 | Q | 28.5 | Very low | 26.6 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 28 | 127 | 165.3 | -64.5 | -174.9 | -5.5 | 0 | 0 | 121.1 | I775 | Q773-I775 PolarHBondContact O-N 2.65Š| ||
| 774 | P | 28.5 | Very low | 26.6 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -79.7 | 122.3 | 179.9 | 34.1 | -30.3 | 0 | 0 | 0 | 109.9 | E776 | P774-E776 PolarHBondContact O-N 3.08Š| ||
| 775 | I | 24.9 | Very low | 26.5 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -81.9 | 109.1 | 163.8 | -65 | 174.7 | 0 | 0 | 0 | 106.4 | Q773 M777 | Q773-I775 PolarHBondContact O-N 2.65Å; I775-M777 HydrophobicContact CG2-CG 4.35Å; I775-M777 PolarHBondContact O-N 3.2Å | ||
| 776 | E | 23.8 | Very low | 26.7 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -47 | 114.8 | 162 | -71.1 | 174.7 | 144.5 | 0 | 0 | 109.3 | P774 | P774-E776 PolarHBondContact O-N 3.08Š| ||
| 777 | M | 23.7 | Very low | 26.6 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -117.9 | 108.4 | 158.1 | -72.7 | -162.3 | -62 | 0 | 0 | 108 | I775 L779 | I775-M777 HydrophobicContact CG2-CG 4.35Å; I775-M777 PolarHBondContact O-N 3.2Å; M777-L779 PolarHBondContact O-N 3.49Å | ||
| 778 | N | 25.5 | Very low | 26.4 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -51.6 | 121 | 177.3 | -167.8 | 16.8 | 0 | 0 | 0 | 110.7 | ||||
| 779 | L | 24.5 | Very low | 26.2 | Very low | 162 Ų | 162 | 145 Ų | 145 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -79.1 | 107.3 | 164.6 | -83.1 | 119.9 | 0 | 0 | 0 | 107.8 | M777 | M777-L779 PolarHBondContact O-N 3.49Š| ||
| 780 | D | 26.1 | Very low | 26.1 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -154.3 | 92.9 | 157 | -89.4 | -34 | 0 | 0 | 0 | 108.7 | ||||
| 781 | G | 27.6 | Very low | 25.7 | Very low | 68 Ų | 68 | 141.6 Ų | 141.6 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -167 | 64.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L783 | G781-L783 PolarHBondContact O-N 2.92Š| ||
| 782 | E | 25.3 | Very low | 25.4 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -49.5 | 97.4 | 173.8 | -71.9 | -177.9 | 147.1 | 0 | 0 | 110.9 | K308 N784 | K308-E782 IonicContact NZ-OE1 3.21Å; K308-E782 PolarHBondContact NZ-OE1 3.11Å; K308-E782 IonicContact NZ-OE2 3.77Å; E782-N784 PolarHBondContact O-N 3.35Å | ||
| 783 | L | 25.4 | Very low | 25.2 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -84.9 | 93.9 | 163.7 | -82.1 | 171.2 | 0 | 0 | 0 | 108.9 | G781 | G781-L783 PolarHBondContact O-N 2.92Š| ||
| 784 | N | 26.8 | Very low | 24.9 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | -76.6 | 132.8 | 171 | -81.1 | -45 | 0 | 0 | 0 | 111.5 | E782 | E782-N784 PolarHBondContact O-N 3.35Š| ||
| 785 | N | 25 | Very low | 24.8 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | trans | 71.4 | 88.5 | 145.1 | -66 | -16.1 | 0 | 0 | 0 | 119.2 | ||||
| 786 | I | 27.7 | Very low | 24.9 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 91% | 0.913 | 73% | 0.733 | S | S | * | * | -125.5 | 82.6 | 125.5 | -55.5 | -179.1 | 0 | 0 | 0 | 107.8 | S788 | I786-S788 PolarHBondContact O-N 3.41Š| |||
| 787 | Q | 23.3 | Very low | 25 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | trans | -70.3 | 113 | 163.5 | -100.7 | -178.6 | -21.4 | 0 | 0 | 109 | ||||
| 788 | S | 22.9 | Very low | 25.1 | Very low | 81 Ų | 81 | 131 Ų | 131 | 57% | 0.566 | 72% | 0.718 | S | S | * | * | 36.9 | 111.3 | 123 | 60.4 | 0 | 0 | 0 | 0 | 117.7 | I786 | I786-S788 PolarHBondContact O-N 3.41Š| |||
| 789 | L | 24.1 | Very low | 25.3 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 95% | 0.948 | 72% | 0.724 | S | S | * | * | trans | -98.4 | 116.1 | 141.1 | -127.8 | 83.2 | 0 | 0 | 0 | 108.3 | ||||
| 790 | P | 24.4 | Very low | 25.3 | Very low | 99 Ų | 99 | 132 Ų | 132 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | trans | -97 | 149.8 | -175.6 | 38.7 | -33.4 | 0 | 0 | 0 | 111.8 | ||||
| 791 | N | 21.7 | Very low | 25.4 | Very low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | trans | 77.7 | 114.6 | 132.1 | -95.2 | 16.5 | 0 | 0 | 0 | 121.5 | ||||
| 792 | T | 23.7 | Very low | 25.2 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 59% | 0.589 | 73% | 0.725 | S | S | * | * | 62.3 | 123 | 116.7 | 65.8 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 793 | N | 25.5 | Very low | 25.2 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 81% | 0.807 | 73% | 0.725 | S | S | * | * | 159.9 | 150.9 | 118 | -84.3 | -19.8 | 0 | 0 | 0 | 107.8 | |||||
| 794 | N | 23.6 | Very low | 25.2 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | cis | 179.1 | 133.1 | -17.3 | -172 | 38.6 | 0 | 0 | 0 | 102.1 | ||||
| 795 | D | 24.6 | Very low | 25.1 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | trans | 57.5 | 147.3 | 144 | -70.6 | -20.6 | 0 | 0 | 0 | 123.8 | ||||
| 796 | N | 28 | Very low | 25.2 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | trans | 90.7 | 101.9 | 145.4 | -69.2 | -34.9 | 0 | 0 | 0 | 116.8 | ||||
| 797 | N | 24.8 | Very low | 25.2 | Very low | 124 Ų | 124 | 140 Ų | 140 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | 98.5 | 120.9 | 67.4 | -105.5 | -35.3 | 0 | 0 | 0 | 110.7 | |||||
| 798 | N | 26.7 | Very low | 25.3 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | 48.5 | 110.1 | 145.8 | -65.9 | -25.3 | 0 | 0 | 0 | 118.3 | ||||
| 799 | N | 30.4 | Very low | 25.7 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | trans | -157.1 | 96.1 | 133 | -88.6 | -34.4 | 0 | 0 | 0 | 110.5 | ||||
| 800 | N | 24.1 | Very low | 26.1 | Very low | 159 Ų | 159 | 140 Ų | 140 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | trans | -73.2 | 118.6 | 151.5 | -80.5 | -28.8 | 0 | 0 | 0 | 107.6 | ||||
| 801 | N | 28.8 | Very low | 26.4 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | -169.9 | 123.6 | 151.4 | -95.9 | -23.1 | 0 | 0 | 0 | 112.5 | ||||
| 802 | M | 23.3 | Very low | 26.8 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | trans | 63.9 | 104.7 | 146.1 | -68.2 | -72.9 | -72.6 | 0 | 0 | 118.7 | ||||
| 803 | I | 24.4 | Very low | 27.3 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | 72.6 | 117.8 | 77.4 | -66 | -178.5 | 0 | 0 | 0 | 114.5 | |||||
| 804 | T | 24.6 | Very low | 27.5 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | trans | 78.1 | 114.4 | 153 | 56 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 805 | L | 24.8 | Very low | 27.9 | Very low | 136 Ų | 136 | 145.7 Ų | 145.7 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | 153.8 | 103.9 | 109.6 | -96.3 | 150.7 | 0 | 0 | 0 | 111.2 | |||||
| 806 | Y | 27.2 | Very low | 28.4 | Very low | 247 Ų | 247 | 145 Ų | 145 | 97% | 0.969 | 75% | 0.745 | S | S | * | * | trans | -154.7 | 87.6 | 140.1 | -89.1 | -68.2 | 0 | 0 | 0 | 107.1 | ||||
| 807 | Q | 27.3 | Very low | 28.4 | Very low | 169 Ų | 169 | 149 Ų | 149 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -90.3 | 135.2 | 178.5 | -170.2 | 172.2 | 4.9 | 0 | 0 | 109.8 | ||||
| 808 | S | 27.1 | Very low | 28.6 | Very low | 104 Ų | 104 | 152.6 Ų | 152.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -42.9 | 122.7 | 176 | -44.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 809 | N | 31 | Very low | 28.5 | Very low | 143 Ų | 143 | 153.6 Ų | 153.6 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | -127.8 | 6 | 171.8 | -100.2 | -7.9 | 0 | 0 | 0 | 115.1 | ||||
| 810 | E | 33.1 | Very low | 28.2 | Very low | 175 Ų | 175 | 153.2 Ų | 153.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -97.4 | -8.2 | -177.9 | -75.5 | -176.3 | 160.2 | 0 | 0 | 115.2 | ||
| 811 | L | 30.4 | Very low | 28.4 | Very low | 134 Ų | 134 | 153 Ų | 153 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -93.5 | -10 | 179 | -87.6 | 167.3 | 0 | 0 | 0 | 115 | ||
| 812 | Q | 30.2 | Very low | 28.3 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -87.2 | -23.2 | 178.1 | -165.3 | 64.9 | 42.8 | 0 | 0 | 112.8 | T816 | Q812-T816 PolarHBondContact O-OG1 2.93Š|
| 813 | E | 34.4 | Very low | 28.5 | Very low | 145 Ų | 145 | 155.4 Ų | 155.4 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -83.6 | -22.1 | -176.7 | -153.3 | 172.3 | -171.7 | 0 | 0 | 112.9 | ||
| 814 | M | 29 | Very low | 28.5 | Very low | 150 Ų | 150 | 155.9 Ų | 155.9 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -22.4 | 176.2 | -142.8 | -170.9 | -43.9 | 0 | 0 | 112.9 | ||
| 815 | L | 32.5 | Very low | 28.6 | Very low | 148 Ų | 148 | 157.4 Ų | 157.4 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 0.9 | -175.4 | -122.8 | 86 | 0 | 0 | 0 | 115 | ||
| 816 | T | 33.4 | Very low | 29.1 | Very low | 102 Ų | 102 | 156.5 Ų | 156.5 | 63% | 0.626 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -118.1 | 18.8 | -176 | 34.1 | 0 | 0 | 0 | 0 | 115.7 | Q812 | Q812-T816 PolarHBondContact O-OG1 2.93Š|
| 817 | R | 27.8 | Very low | 29 | Very low | 212 Ų | 212 | 149.2 Ų | 149.2 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -121.8 | 11.2 | -179.1 | -79 | -158.9 | 174.5 | -178.1 | 3.3 | 119.6 | ||
| 818 | Q | 30.1 | Very low | 28.9 | Very low | 200 Ų | 200 | 148.8 Ų | 148.8 | 94% | 0.935 | 77% | 0.765 | S | S | * | * | trans | -141.1 | 69 | 165.9 | -73.4 | -168.9 | -9.3 | 0 | 0 | 112.7 | ||||
| 819 | N | 24.2 | Very low | 28.6 | Very low | 154 Ų | 154 | 152.9 Ų | 152.9 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -111.3 | 108.5 | 152.5 | -108.2 | -26.8 | 0 | 0 | 0 | 106 | ||||
| 820 | L | 25.4 | Very low | 28.3 | Very low | 154 Ų | 154 | 153.3 Ų | 153.3 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -161.1 | 119.8 | 159.8 | -126.3 | 84.5 | 0 | 0 | 0 | 111.2 | ||||
| 821 | M | 27.7 | Very low | 27.9 | Very low | 154 Ų | 154 | 152 Ų | 152 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 67.1 | 99.1 | 153.6 | -51.3 | -65.3 | 171.9 | 0 | 0 | 116.8 | ||||
| 822 | N | 25.7 | Very low | 27.8 | Very low | 136 Ų | 136 | 154.5 Ų | 154.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | 63.4 | 100.6 | 58.9 | -145.2 | 27.6 | 0 | 0 | 0 | 114 | |||||
| 823 | F | 27.5 | Very low | 27.6 | Very low | 212 Ų | 212 | 154.7 Ų | 154.7 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -153.3 | 109.4 | 148.3 | -89.6 | -72.1 | 0 | 0 | 0 | 110 | ||||
| 824 | N | 26.1 | Very low | 27.2 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -66.8 | 143.6 | 159 | -74.9 | -34.1 | 0 | 0 | 0 | 109.7 | ||||
| 825 | D | 26.7 | Very low | 27.2 | Very low | 151 Ų | 151 | 152.1 Ų | 152.1 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | -158.2 | 118.1 | 130 | -136.5 | -14.2 | 0 | 0 | 0 | 111.7 | ||||
| 826 | P | 34.7 | Very low | 27.2 | Very low | 117 Ų | 117 | 152.1 Ų | 152.1 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -101.7 | 92.7 | 175.1 | 35.5 | -24.1 | 0 | 0 | 0 | 110.1 | ||||
| 827 | S | 23.9 | Very low | 27 | Very low | 94 Ų | 94 | 156.3 Ų | 156.3 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | trans | -162.5 | 113.8 | 157.5 | 61.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 828 | L | 25.7 | Very low | 27.1 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 178 | 76.9 | 143.5 | -91.5 | 165.8 | 0 | 0 | 0 | 107 | L830 | L828-L830 PolarHBondContact O-N 2.65Š| ||
| 829 | Q | 21.6 | Very low | 27.4 | Very low | 191 Ų | 191 | 147.3 Ų | 147.3 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -62.1 | 110.7 | 155.9 | -79.7 | 175.8 | -16.2 | 0 | 0 | 107.7 | ||||
| 830 | L | 24.8 | Very low | 28.1 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -134.5 | 90.4 | 157.8 | -84.7 | 170.5 | 0 | 0 | 0 | 108 | L828 H832 | L828-L830 PolarHBondContact O-N 2.65Å; L830-H832 PolarHBondContact O-N 2.89Å | ||
| 831 | N | 23.6 | Very low | 28.9 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -56.6 | 118.8 | 154.1 | -75.2 | -19 | 0 | 0 | 0 | 107.7 | ||||
| 832 | H | 29.4 | Very low | 29.5 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | trans | -152.7 | 114.5 | 141.1 | -107.3 | -62.2 | 0 | 0 | 0 | 109.3 | L830 | L830-H832 PolarHBondContact O-N 2.89Š| ||
| 833 | D | 24.7 | Very low | 30.3 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | -58.8 | 154.4 | 174.5 | -65.1 | -59 | 0 | 0 | 0 | 112.8 | ||||
| 834 | T | 27.4 | Very low | 30.9 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | 83 | 120.8 | 147.6 | -9.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 835 | V | 27.8 | Very low | 31.6 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | trans | 90.8 | 95 | 148.8 | -163 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 836 | N | 32.3 | Very low | 32.2 | Very low | 147 Ų | 147 | 135 Ų | 135 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | trans | 48 | 86 | 132.4 | -57.8 | -23.1 | 0 | 0 | 0 | 118.3 | ||||
| 837 | Q | 30.1 | Very low | 32.3 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 89% | 0.888 | 71% | 0.713 | S | S | * | * | trans | -134 | 90.2 | 142.2 | -73.9 | -169.5 | 16.9 | 0 | 0 | 109.1 | S839 | Q837-S839 PolarHBondContact O-N 3.41Š| ||
| 838 | L | 29.9 | Very low | 32.9 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 81% | 0.806 | 71% | 0.714 | S | S | * | * | trans | -56.9 | 106.4 | 161.6 | -84.6 | 155.2 | 0 | 0 | 0 | 107.4 | ||||
| 839 | S | 35.7 | Very low | 33.4 | Very low | 69 Ų | 69 | 140 Ų | 140 | 48% | 0.483 | 72% | 0.716 | S | S | . | * | trans | -66.9 | 140.8 | -176.1 | 171.3 | 0 | 0 | 0 | 0 | 109.6 | Q837 N841 D842 | Q837-S839 PolarHBondContact O-N 3.41Å; S839-N841 PolarHBondContact O-N 2.55Å; S839-D842 PolarHBondContact O-N 2.89Å | ||
| 840 | L | 39.1 | Very low | 34 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -49.8 | -18.4 | 175.8 | -105.3 | 160.8 | 0 | 0 | 0 | 114 | V843 F844 | L840-V843 PolarHBondContact O-N 3.07Å; L840-F844 PolarHBondContact O-N 3.39Å; L840-F844 VanDerWaalsContact O-N 3.08Å |
| 841 | N | 42.7 | Very low | 34 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 58% | 0.583 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -66.9 | -32.1 | 173.6 | -117.1 | 33.6 | 0 | 0 | 0 | 113.5 | S839 V843 F844 N845 | S839-N841 PolarHBondContact O-N 2.55Å; N841-V843 VanDerWaalsContact C-N 3.33Å; N841-F844 PolarHBondContact O-N 3.33Å; N841-N845 PolarHBondContact O-N 2.8Å; N841-N845 PolarHBondContact O-ND2 3.4Å |
| 842 | D | 40.2 | Very low | 34.2 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 46% | 0.455 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -72.1 | -33.5 | 177.5 | -63.7 | -32.3 | 0 | 0 | 0 | 110.8 | S839 N845 F846 | S839-D842 PolarHBondContact O-N 2.89Å; D842-N845 PolarHBondContact O-N 2.88Å; D842-F846 PolarHBondContact O-N 3.29Å |
| 843 | V | 41.5 | Very low | 34.1 | Very low | 82 Ų | 82 | 138.7 Ų | 138.7 | 50% | 0.497 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -67.8 | -38.1 | 171.5 | -178 | 0 | 0 | 0 | 0 | 111.1 | L840 N841 F846 M847 | L840-V843 PolarHBondContact O-N 3.07Å; N841-V843 VanDerWaalsContact C-N 3.33Å; V843-F846 PolarHBondContact O-N 3.1Å; V843-M847 PolarHBondContact O-N 3.49Å; V843-M847 VanDerWaalsContact O-N 3.08Å |
| 844 | F | 40.5 | Very low | 34.3 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 63% | 0.632 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -69.4 | -35.3 | 177.6 | -144.1 | -88.2 | 0 | 0 | 0 | 112.3 | L840 N841 K848 | L840-F844 PolarHBondContact O-N 3.39Å; L840-F844 VanDerWaalsContact O-N 3.08Å; N841-F844 PolarHBondContact O-N 3.33Å; F844-K848 PolarHBondContact O-N 2.87Å |
| 845 | N | 41.8 | Very low | 34.2 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 54% | 0.535 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -69.6 | -37.6 | 174.1 | -73.8 | -29.2 | 0 | 0 | 0 | 112 | N841 D842 M847 K848 | N841-N845 PolarHBondContact O-N 2.8Å; N841-N845 PolarHBondContact O-ND2 3.4Å; D842-N845 PolarHBondContact O-N 2.88Å; N845-M847 VanDerWaalsContact C-N 3.35Å; N845-M847 PolarHBondContact O-N 3.3Å; N845-K848 PolarHBondContact O-N 3.44Å |
| 846 | F | 39.4 | Very low | 34.1 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -68.4 | -33.6 | 176.7 | -138.8 | -88.9 | 0 | 0 | 0 | 112.7 | D842 V843 K848 | D842-F846 PolarHBondContact O-N 3.29Å; V843-F846 PolarHBondContact O-N 3.1Å; F846-K848 VanDerWaalsContact C-N 3.28Å; F846-K848 PolarHBondContact O-N 3.02Å |
| 847 | M | 35.4 | Very low | 33.8 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 70% | 0.7 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -72.2 | -22.2 | 177.8 | -153.1 | 173.2 | -69.7 | 0 | 0 | 112.8 | V843 N845 | V843-M847 PolarHBondContact O-N 3.49Å; V843-M847 VanDerWaalsContact O-N 3.08Å; N845-M847 VanDerWaalsContact C-N 3.35Å; N845-M847 PolarHBondContact O-N 3.3Å |
| 848 | K | 37.2 | Very low | 33.5 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -79.4 | -19.2 | -178.7 | -144.4 | 175.2 | -174.6 | -179.4 | 0 | 114 | F844 N845 F846 K850 | F844-K848 PolarHBondContact O-N 2.87Å; N845-K848 PolarHBondContact O-N 3.44Å; F846-K848 VanDerWaalsContact C-N 3.28Å; F846-K848 PolarHBondContact O-N 3.02Å; K848-K850 VanDerWaalsContact C-N 3.3Å; K848-K850 PolarHBondContact O-N 3.43Å |
| 849 | M | 36 | Very low | 33.3 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 86% | 0.862 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -4 | 179.3 | -97.7 | 175.2 | 75 | 0 | 0 | 115 | ||
| 850 | K | 34.2 | Very low | 32.8 | Very low | 201 Ų | 201 | 139.9 Ų | 139.9 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 10.3 | 176.8 | -102.8 | -172.8 | 178.2 | -176.5 | 0 | 116 | K848 | K848-K850 VanDerWaalsContact C-N 3.3Å; K848-K850 PolarHBondContact O-N 3.43Å |
| 851 | Q | 25.2 | Very low | 32.2 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | trans | -111.1 | 88.9 | 168.8 | -82.8 | 177.6 | 6 | 0 | 0 | 110.5 | ||||
| 852 | L | 27.5 | Very low | 31.4 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | trans | -67.3 | 122.9 | 162.2 | -138.3 | 79.7 | 0 | 0 | 0 | 107.3 | N854 | L852-N854 PolarHBondContact O-N 3.18Š| ||
| 853 | P | 27.9 | Very low | 30.7 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -72.7 | 125.3 | -170.9 | 26.5 | -31.1 | 0 | 0 | 0 | 111.4 | A855 | P853-A855 VanDerWaalsContact C-N 3.34Å; P853-A855 PolarHBondContact O-N 3.14Å | ||
| 854 | N | 27.9 | Very low | 30 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | trans | -56.3 | 93.4 | 160.3 | -84.9 | -15.2 | 0 | 0 | 0 | 109.5 | L852 | L852-N854 PolarHBondContact O-N 3.18Š| ||
| 855 | A | 25.8 | Very low | 29.4 | Very low | 87 Ų | 87 | 146.6 Ų | 146.6 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | trans | -98.8 | 81.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | P853 S857 | P853-A855 VanDerWaalsContact C-N 3.34Å; P853-A855 PolarHBondContact O-N 3.14Å; A855-S857 PolarHBondContact O-N 3.37Å | ||
| 856 | T | 25.5 | Very low | 29.1 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -57.4 | 110.6 | 157 | -52.6 | 0 | 0 | 0 | 0 | 107.7 | Q858 | T856-Q858 HydrophobicContact CG2-CG 4.47Š| ||
| 857 | S | 26 | Very low | 28.6 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -136.4 | 89.7 | 162.4 | -72.3 | 0 | 0 | 0 | 0 | 107.2 | A855 H859 | A855-S857 PolarHBondContact O-N 3.37Å; S857-H859 PolarHBondContact O-N 3.49Å | ||
| 858 | Q | 24.6 | Very low | 28.6 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -52.2 | 116.6 | 164.6 | -68.3 | 167.8 | -27.1 | 0 | 0 | 108.5 | T856 | T856-Q858 HydrophobicContact CG2-CG 4.47Š| ||
| 859 | H | 24.7 | Very low | 28.8 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | -135.2 | 99.5 | 149 | -139 | -72.6 | 0 | 0 | 0 | 108.9 | S857 I861 | S857-H859 PolarHBondContact O-N 3.49Å; H859-I861 PolarHBondContact O-N 3.47Å | ||
| 860 | N | 25.1 | Very low | 29.1 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -45.1 | 116.6 | 157.3 | -123.8 | 5.5 | 0 | 0 | 0 | 108.6 | ||||
| 861 | I | 28.2 | Very low | 29.8 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 80% | 0.795 | 76% | 0.764 | S | S | * | * | trans | -133.1 | 111.8 | 149.3 | -60.7 | -176.4 | 0 | 0 | 0 | 106.7 | H859 | H859-I861 PolarHBondContact O-N 3.47Š| ||
| 862 | Q | 24.7 | Very low | 31.4 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | -68.6 | 143.7 | -179 | -169.6 | 148.9 | -12.2 | 0 | 0 | 111 | S864 | Q862-S864 PolarHBondContact O-N 3.43Š| ||
| 863 | E | 25.1 | Very low | 33.1 | Very low | 185 Ų | 185 | 129.8 Ų | 129.8 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | trans | -25.1 | 123.2 | 161.1 | -80.3 | 167.7 | 139.5 | 0 | 0 | 114.9 | ||||
| 864 | S | 27.3 | Very low | 35 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -143.6 | 111.1 | 139.9 | 64 | 0 | 0 | 0 | 0 | 109.4 | Q862 T866 | Q862-S864 PolarHBondContact O-N 3.43Å; S864-T866 PolarHBondContact O-N 3.02Å | ||
| 865 | A | 28.4 | Very low | 36.7 | Very low | 102 Ų | 102 | 124 Ų | 124 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | trans | -64.9 | 118.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 866 | T | 34.2 | Very low | 39 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | trans | -156.7 | 116.9 | 153.2 | 50.3 | 0 | 0 | 0 | 0 | 109.9 | S864 | S864-T866 PolarHBondContact O-N 3.02Š| ||
| 867 | D | 30.1 | Very low | 41.6 | Very low | 147 Ų | 147 | 124.4 Ų | 124.4 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | trans | 57.5 | 117.3 | 150.5 | -59.7 | -19.8 | 0 | 0 | 0 | 121 | T869 | D867-T869 VanDerWaalsContact C-N 3.34Å; D867-T869 PolarHBondContact O-N 3.5Å | ||
| 868 | S | 35.8 | Very low | 44.5 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 87% | 0.867 | 69% | 0.686 | S | S | * | * | trans | -52.6 | 83.1 | 168.5 | 54.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 869 | T | 40.3 | Very low | 47.2 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 74% | 0.736 | 67% | 0.668 | S | S | * | * | trans | -135.6 | 114 | 151.4 | 58.2 | 0 | 0 | 0 | 0 | 105.8 | D867 D871 | D867-T869 VanDerWaalsContact C-N 3.34Å; D867-T869 PolarHBondContact O-N 3.5Å; T869-D871 PolarHBondContact O-N 2.94Å | ||
| 870 | T | 43.8 | Very low | 50.1 | Low | 111 Ų | 111 | 117.9 Ų | 117.9 | 68% | 0.681 | 66% | 0.657 | S | S | * | * | trans | -57.8 | 100.9 | 178.6 | -55.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 871 | D | 48.2 | Very low | 53 | Low | 72 Ų | 72 | 114.6 Ų | 114.6 | 39% | 0.385 | 64% | 0.64 | S | S | . | * | trans | -52.7 | 125.2 | -179.5 | 162.9 | 33.8 | 0 | 0 | 0 | 109.4 | T869 Q873 S874 L875 | T869-D871 PolarHBondContact O-N 2.94Å; D871-Q873 PolarHBondContact O-N 3.44Å; D871-Q873 PolarHBondContact OD1-N 2.64Å; D871-Q873 WeakPolarHBondContact OD2-CB 3.38Å; D871-S874 WeakPolarHBondContact O-CA 3.35Å; D871-S874 WeakPolarHBondContact O-CB 3.41Å; D871-S874 PolarHBondContact O-N 3.21Å; D871-S874 PolarHBondContact OD2-N 2.8Å; D871-L875 PolarHBondContact O-N 3.46Å; D871-L875 VanDerWaalsContact O-N 3.14Å | ||
| 872 | P | 58.1 | Low | 55.2 | Low | 97 Ų | 97 | 113.1 Ų | 113.1 | 63% | 0.63 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -49.5 | -30.6 | 176.1 | -27.4 | 33.4 | 0 | 0 | 0 | 113.5 | L875 A876 | P872-L875 PolarHBondContact O-N 3.05Å; P872-A876 VanDerWaalsContact O-CB 3.3Å; P872-A876 WeakPolarHBondContact O-CB 3.5Å; P872-A876 PolarHBondContact O-N 3.31Å |
| 873 | Q | 62.9 | Low | 57.9 | Low | 145 Ų | 145 | 110.3 Ų | 110.3 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.8 | -42 | 174.9 | -122.4 | 104 | -9.8 | 0 | 0 | 112.1 | D871 A876 Y877 | D871-Q873 PolarHBondContact O-N 3.44Å; D871-Q873 PolarHBondContact OD1-N 2.64Å; D871-Q873 WeakPolarHBondContact OD2-CB 3.38Å; Q873-A876 PolarHBondContact O-N 3.47Å; Q873-Y877 WeakPolarHBondContact O-CB 3.24Å; Q873-Y877 PolarHBondContact O-N 3.49Å |
| 874 | S | 68.7 | Low | 60.9 | Low | 65 Ų | 65 | 104.9 Ų | 104.9 | 46% | 0.455 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.4 | -39.4 | 175.3 | -74 | 0 | 0 | 0 | 0 | 112.2 | D871 Y877 M878 | D871-S874 WeakPolarHBondContact O-CA 3.35Å; D871-S874 WeakPolarHBondContact O-CB 3.41Å; D871-S874 PolarHBondContact O-N 3.21Å; D871-S874 PolarHBondContact OD2-N 2.8Å; S874-Y877 PolarHBondContact O-N 3.45Å; S874-M878 PolarHBondContact O-N 3.04Å |
| 875 | L | 64.4 | Low | 63.6 | Low | 90 Ų | 90 | 102.5 Ų | 102.5 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.8 | -42.3 | 173.7 | -174.6 | 68.3 | 0 | 0 | 0 | 111.4 | D871 P872 Y877 M878 L879 | D871-L875 PolarHBondContact O-N 3.46Å; D871-L875 VanDerWaalsContact O-N 3.14Å; P872-L875 PolarHBondContact O-N 3.05Å; L875-Y877 VanDerWaalsContact C-N 3.31Å; L875-Y877 PolarHBondContact O-N 2.81Å; L875-M878 PolarHBondContact O-N 3.07Å; L875-L879 HydrophobicContact CG-CD1 4.14Å; L875-L879 WeakPolarHBondContact O-CB 3.32Å; L875-L879 WeakPolarHBondContact O-CG 3.42Å; L875-L879 PolarHBondContact O-N 3.03Å |
| 876 | A | 73.2 | Confident | 66.2 | Low | 57 Ų | 57 | 101.8 Ų | 101.8 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.6 | -38.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | P872 Q873 K880 | P872-A876 VanDerWaalsContact O-CB 3.3Å; P872-A876 WeakPolarHBondContact O-CB 3.5Å; P872-A876 PolarHBondContact O-N 3.31Å; Q873-A876 PolarHBondContact O-N 3.47Å; A876-K880 VanDerWaalsContact O-CB 3.23Å; A876-K880 WeakPolarHBondContact O-CB 3.34Å; A876-K880 PolarHBondContact O-N 3.35Å |
| 877 | Y | 81 | Confident | 68.6 | Low | 153 Ų | 153 | 99.9 Ų | 99.9 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.1 | -40.7 | 174.6 | -166.6 | -98.7 | 0 | 0 | 0 | 111.9 | Q873 S874 L875 K880 N881 | Q873-Y877 WeakPolarHBondContact O-CB 3.24Å; Q873-Y877 PolarHBondContact O-N 3.49Å; S874-Y877 PolarHBondContact O-N 3.45Å; L875-Y877 VanDerWaalsContact C-N 3.31Å; L875-Y877 PolarHBondContact O-N 2.81Å; Y877-K880 PolarHBondContact O-N 2.93Å; Y877-N881 WeakPolarHBondContact CD1-ND2 3.33Å; Y877-N881 WeakPolarHBondContact CE1-ND2 3.38Å; Y877-N881 PolarHBondContact O-N 3.4Å; Y877-N881 PolarHBondContact O-ND2 3.33Å |
| 878 | M | 85.2 | Confident | 71.2 | Confident | 107 Ų | 107 | 97.4 Ų | 97.4 | 53% | 0.527 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 175.1 | -119.4 | -176.2 | -63.8 | 0 | 0 | 112.4 | S874 L875 K880 N881 Q882 | S874-M878 PolarHBondContact O-N 3.04Å; L875-M878 PolarHBondContact O-N 3.07Å; M878-K880 VanDerWaalsContact C-N 3.31Å; M878-K880 PolarHBondContact O-N 3.38Å; M878-N881 PolarHBondContact O-N 3.29Å; M878-Q882 PolarHBondContact O-N 3Å |
| 879 | L | 81.2 | Confident | 73.8 | Confident | 90 Ų | 90 | 97.3 Ų | 97.3 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 175.9 | -77.1 | 168.2 | 0 | 0 | 0 | 111.3 | L875 Q882 L883 | L875-L879 HydrophobicContact CG-CD1 4.14Å; L875-L879 WeakPolarHBondContact O-CB 3.32Å; L875-L879 WeakPolarHBondContact O-CG 3.42Å; L875-L879 PolarHBondContact O-N 3.03Å; L879-Q882 PolarHBondContact O-N 3.1Å; L879-L883 WeakPolarHBondContact O-CB 3.37Å; L879-L883 PolarHBondContact O-N 3.39Å |
| 880 | K | 87.1 | Confident | 75.8 | Confident | 127 Ų | 127 | 95.1 Ų | 95.1 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 174.9 | -175.1 | 171.8 | 178 | 179.2 | 0 | 111.7 | A876 Y877 M878 Q882 L883 D884 | A876-K880 VanDerWaalsContact O-CB 3.23Å; A876-K880 WeakPolarHBondContact O-CB 3.34Å; A876-K880 PolarHBondContact O-N 3.35Å; Y877-K880 PolarHBondContact O-N 2.93Å; M878-K880 VanDerWaalsContact C-N 3.31Å; M878-K880 PolarHBondContact O-N 3.38Å; K880-Q882 VanDerWaalsContact C-N 3.34Å; K880-Q882 PolarHBondContact O-N 3.39Å; K880-L883 PolarHBondContact O-N 3.23Å; K880-D884 WeakPolarHBondContact O-CB 3.32Å; K880-D884 PolarHBondContact O-N 3.11Å |
| 881 | N | 85 | Confident | 78 | Confident | 75 Ų | 75 | 96.6 Ų | 96.6 | 40% | 0.401 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 176.5 | -73.6 | -19.5 | 0 | 0 | 0 | 112.6 | Y877 M878 D884 A885 | Y877-N881 WeakPolarHBondContact CD1-ND2 3.33Å; Y877-N881 WeakPolarHBondContact CE1-ND2 3.38Å; Y877-N881 PolarHBondContact O-N 3.4Å; Y877-N881 PolarHBondContact O-ND2 3.33Å; M878-N881 PolarHBondContact O-N 3.29Å; N881-D884 PolarHBondContact O-N 2.92Å; N881-A885 WeakPolarHBondContact O-CB 3.34Å; N881-A885 PolarHBondContact O-N 3.06Å |
| 882 | Q | 75.3 | Confident | 79.8 | Confident | 123 Ų | 123 | 99.2 Ų | 99.2 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.2 | -43.1 | 174.1 | -79.5 | -174.2 | -20.8 | 0 | 0 | 111.7 | M878 L879 K880 D884 A885 I886 | M878-Q882 PolarHBondContact O-N 3Å; L879-Q882 PolarHBondContact O-N 3.1Å; K880-Q882 VanDerWaalsContact C-N 3.34Å; K880-Q882 PolarHBondContact O-N 3.39Å; Q882-D884 VanDerWaalsContact C-N 3.34Å; Q882-D884 PolarHBondContact O-N 3.48Å; Q882-A885 PolarHBondContact O-N 3.25Å; Q882-I886 WeakPolarHBondContact O-CB 3.5Å; Q882-I886 VanDerWaalsContact O-CG1 3.24Å; Q882-I886 WeakPolarHBondContact O-CG1 3.33Å; Q882-I886 PolarHBondContact O-N 2.91Å |
| 883 | L | 81.8 | Confident | 80.9 | Confident | 99 Ų | 99 | 99 Ų | 99 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 174.4 | -89.1 | 157.1 | 0 | 0 | 0 | 112 | L879 K880 I886 N887 | L879-L883 WeakPolarHBondContact O-CB 3.37Å; L879-L883 PolarHBondContact O-N 3.39Å; K880-L883 PolarHBondContact O-N 3.23Å; L883-I886 PolarHBondContact O-N 3.09Å; L883-N887 VanDerWaalsContact O-CB 3.31Å; L883-N887 WeakPolarHBondContact O-CB 3.49Å; L883-N887 PolarHBondContact O-N 3.14Å; L883-N887 PolarHBondContact O-ND2 3.37Å; L883-N887 VanDerWaalsContact O-ND2 3.12Å |
| 884 | D | 86.4 | Confident | 81.9 | Confident | 70 Ų | 70 | 97.8 Ų | 97.8 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 176.6 | -72.5 | -22.3 | 0 | 0 | 0 | 111.6 | K880 N881 Q882 N887 N888 | K880-D884 WeakPolarHBondContact O-CB 3.32Å; K880-D884 PolarHBondContact O-N 3.11Å; N881-D884 PolarHBondContact O-N 2.92Å; Q882-D884 VanDerWaalsContact C-N 3.34Å; Q882-D884 PolarHBondContact O-N 3.48Å; D884-N887 PolarHBondContact O-N 3.4Å; D884-N888 WeakPolarHBondContact O-CB 3.38Å; D884-N888 VanDerWaalsContact O-CG 3.22Å; D884-N888 PolarHBondContact O-N 2.96Å; D884-N888 PolarHBondContact O-ND2 3.4Å |
| 885 | A | 83.7 | Confident | 82.7 | Confident | 57 Ų | 57 | 101.1 Ų | 101.1 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | N881 Q882 N887 N888 E889 | N881-A885 WeakPolarHBondContact O-CB 3.34Å; N881-A885 PolarHBondContact O-N 3.06Å; Q882-A885 PolarHBondContact O-N 3.25Å; A885-N887 VanDerWaalsContact C-N 3.34Å; A885-N887 PolarHBondContact O-N 3.46Å; A885-N888 PolarHBondContact O-N 3.24Å; A885-E889 PolarHBondContact O-N 2.95Å |
| 886 | I | 83.5 | Confident | 83.6 | Confident | 87 Ų | 87 | 102.8 Ų | 102.8 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 176.3 | -68.7 | 165 | 0 | 0 | 0 | 110.6 | Q882 L883 N888 E889 I890 | Q882-I886 WeakPolarHBondContact O-CB 3.5Å; Q882-I886 VanDerWaalsContact O-CG1 3.24Å; Q882-I886 WeakPolarHBondContact O-CG1 3.33Å; Q882-I886 PolarHBondContact O-N 2.91Å; L883-I886 PolarHBondContact O-N 3.09Å; I886-N888 VanDerWaalsContact C-N 3.31Å; I886-N888 PolarHBondContact O-N 3.47Å; I886-E889 PolarHBondContact O-N 3.42Å; I886-I890 HydrophobicContact CG2-CD1 3.82Å; I886-I890 HydrophobicContact CG2-CG1 4.38Å; I886-I890 WeakPolarHBondContact O-CB 3.49Å; I886-I890 VanDerWaalsContact O-CG1 3.28Å; I886-I890 WeakPolarHBondContact O-CG1 3.43Å; I886-I890 PolarHBondContact O-N 3.07Å |
| 887 | N | 85.2 | Confident | 84.3 | Confident | 81 Ų | 81 | 106.6 Ų | 106.6 | 43% | 0.433 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -34.8 | 177.2 | -75.1 | -30.4 | 0 | 0 | 0 | 112.4 | L883 D884 A885 K891 | L883-N887 VanDerWaalsContact O-CB 3.31Å; L883-N887 WeakPolarHBondContact O-CB 3.49Å; L883-N887 PolarHBondContact O-N 3.14Å; L883-N887 PolarHBondContact O-ND2 3.37Å; L883-N887 VanDerWaalsContact O-ND2 3.12Å; D884-N887 PolarHBondContact O-N 3.4Å; A885-N887 VanDerWaalsContact C-N 3.34Å; A885-N887 PolarHBondContact O-N 3.46Å; N887-K891 PolarHBondContact O-N 3.27Å |
| 888 | N | 84.6 | Confident | 84.4 | Confident | 96 Ų | 96 | 101.9 Ų | 101.9 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.4 | -40.1 | 173.7 | -73.9 | -28.1 | 0 | 0 | 0 | 111.9 | D884 A885 I886 K891 L892 | D884-N888 WeakPolarHBondContact O-CB 3.38Å; D884-N888 VanDerWaalsContact O-CG 3.22Å; D884-N888 PolarHBondContact O-N 2.96Å; D884-N888 PolarHBondContact O-ND2 3.4Å; A885-N888 PolarHBondContact O-N 3.24Å; I886-N888 VanDerWaalsContact C-N 3.31Å; I886-N888 PolarHBondContact O-N 3.47Å; N888-K891 WeakPolarHBondContact O-CB 3.28Å; N888-K891 PolarHBondContact O-N 3.11Å; N888-L892 PolarHBondContact O-N 3.28Å |
| 889 | E | 89.3 | Confident | 84.3 | Confident | 121 Ų | 121 | 100 Ų | 100 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | 174.7 | -170.7 | 174.6 | -177.9 | 0 | 0 | 111.3 | A885 I886 K891 L892 I893 | A885-E889 PolarHBondContact O-N 2.95Å; I886-E889 PolarHBondContact O-N 3.42Å; E889-K891 VanDerWaalsContact C-N 3.3Å; E889-K891 PolarHBondContact O-N 3.28Å; E889-L892 WeakPolarHBondContact O-CB 3.46Å; E889-L892 PolarHBondContact O-N 3.31Å; E889-L892 VanDerWaalsContact O-N 3.12Å; E889-I893 HydrophobicContact CG-CD1 4.09Å; E889-I893 VanDerWaalsContact O-CG1 3.31Å; E889-I893 WeakPolarHBondContact O-CG1 3.44Å; E889-I893 PolarHBondContact O-N 3.35Å |
| 890 | I | 83.3 | Confident | 84.2 | Confident | 74 Ų | 74 | 99.6 Ų | 99.6 | 38% | 0.379 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 173.4 | -69.7 | 168.6 | 0 | 0 | 0 | 110.9 | I886 I893 Q894 | I886-I890 HydrophobicContact CG2-CD1 3.82Å; I886-I890 HydrophobicContact CG2-CG1 4.38Å; I886-I890 WeakPolarHBondContact O-CB 3.49Å; I886-I890 VanDerWaalsContact O-CG1 3.28Å; I886-I890 WeakPolarHBondContact O-CG1 3.43Å; I886-I890 PolarHBondContact O-N 3.07Å; I890-I893 PolarHBondContact O-N 3.47Å; I890-Q894 HydrophobicContact CG2-CG 4.36Å; I890-Q894 WeakPolarHBondContact O-CB 3.36Å; I890-Q894 VanDerWaalsContact O-CG 3.24Å; I890-Q894 WeakPolarHBondContact O-CG 3.49Å; I890-Q894 PolarHBondContact O-N 2.97Å |
| 891 | K | 89.7 | Confident | 84.1 | Confident | 143 Ų | 143 | 99 Ų | 99 | 62% | 0.622 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -41.2 | 174.5 | -91.2 | -176.7 | 176.5 | 177.2 | 0 | 112.6 | N887 N888 E889 Q894 H895 | N887-K891 PolarHBondContact O-N 3.27Å; N888-K891 WeakPolarHBondContact O-CB 3.28Å; N888-K891 PolarHBondContact O-N 3.11Å; E889-K891 VanDerWaalsContact C-N 3.3Å; E889-K891 PolarHBondContact O-N 3.28Å; K891-Q894 PolarHBondContact O-N 3.36Å; K891-H895 WeakPolarHBondContact O-CB 3.33Å; K891-H895 PolarHBondContact O-N 3.48Å |
| 892 | L | 86.7 | Confident | 83.7 | Confident | 126 Ų | 126 | 101.5 Ų | 101.5 | 66% | 0.66 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.3 | -45.6 | 175.6 | -104.7 | 124.5 | 0 | 0 | 0 | 111.2 | N888 E889 Q894 H895 E896 | N888-L892 PolarHBondContact O-N 3.28Å; E889-L892 WeakPolarHBondContact O-CB 3.46Å; E889-L892 PolarHBondContact O-N 3.31Å; E889-L892 VanDerWaalsContact O-N 3.12Å; L892-Q894 VanDerWaalsContact C-N 3.33Å; L892-Q894 PolarHBondContact O-N 3.38Å; L892-H895 PolarHBondContact O-N 2.88Å; L892-E896 WeakPolarHBondContact O-CB 3.45Å; L892-E896 PolarHBondContact O-N 3.09Å |
| 893 | I | 81.3 | Confident | 83.5 | Confident | 94 Ų | 94 | 100.5 Ų | 100.5 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 176.9 | -66.7 | 166.3 | 0 | 0 | 0 | 110.8 | E889 I890 E896 K897 | E889-I893 HydrophobicContact CG-CD1 4.09Å; E889-I893 VanDerWaalsContact O-CG1 3.31Å; E889-I893 WeakPolarHBondContact O-CG1 3.44Å; E889-I893 PolarHBondContact O-N 3.35Å; I890-I893 PolarHBondContact O-N 3.47Å; I893-E896 PolarHBondContact O-N 2.89Å; I893-K897 VanDerWaalsContact O-CB 3.25Å; I893-K897 WeakPolarHBondContact O-CB 3.48Å; I893-K897 PolarHBondContact O-N 2.93Å |
| 894 | Q | 83.8 | Confident | 82.9 | Confident | 118 Ų | 118 | 98.2 Ų | 98.2 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.7 | -38.9 | 175.8 | -75.9 | 175.4 | -2.8 | 0 | 0 | 112.2 | I890 K891 L892 A898 | I890-Q894 HydrophobicContact CG2-CG 4.36Å; I890-Q894 WeakPolarHBondContact O-CB 3.36Å; I890-Q894 VanDerWaalsContact O-CG 3.24Å; I890-Q894 WeakPolarHBondContact O-CG 3.49Å; I890-Q894 PolarHBondContact O-N 2.97Å; K891-Q894 PolarHBondContact O-N 3.36Å; L892-Q894 VanDerWaalsContact C-N 3.33Å; L892-Q894 PolarHBondContact O-N 3.38Å; Q894-A898 WeakPolarHBondContact O-CB 3.45Å; Q894-A898 PolarHBondContact O-N 3.35Å |
| 895 | H | 84.9 | Confident | 82.3 | Confident | 135 Ų | 135 | 99.4 Ų | 99.4 | 63% | 0.625 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.4 | -48.6 | 174 | -178.8 | -77.7 | 0 | 0 | 0 | 110.6 | K891 L892 K897 A898 T899 | K891-H895 WeakPolarHBondContact O-CB 3.33Å; K891-H895 PolarHBondContact O-N 3.48Å; L892-H895 PolarHBondContact O-N 2.88Å; H895-K897 VanDerWaalsContact C-N 3.33Å; H895-K897 PolarHBondContact O-N 3.41Å; H895-A898 WeakPolarHBondContact O-CB 3.26Å; H895-A898 PolarHBondContact O-N 3.49Å; H895-A898 VanDerWaalsContact O-N 3.09Å; H895-T899 PolarHBondContact O-N 3.15Å; H895-T899 PolarHBondContact O-OG1 3.24Å |
| 896 | E | 84.2 | Confident | 81.4 | Confident | 125 Ų | 125 | 101.2 Ų | 101.2 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.2 | -44.5 | 176.7 | -170.7 | 177 | -174.7 | 0 | 0 | 111.5 | L892 I893 A898 T899 T900 | L892-E896 WeakPolarHBondContact O-CB 3.45Å; L892-E896 PolarHBondContact O-N 3.09Å; I893-E896 PolarHBondContact O-N 2.89Å; E896-A898 PolarHBondContact O-N 2.65Å; E896-T899 VanDerWaalsContact CA-OG1 3.29Å; E896-T899 WeakPolarHBondContact CA-OG1 3.43Å; E896-T899 PolarHBondContact O-N 3.17Å; E896-T899 PolarHBondContact O-OG1 2.84Å; E896-T900 WeakPolarHBondContact O-CG2 3.43Å; E896-T900 PolarHBondContact O-N 3.44Å; E896-T900 PolarHBondContact O-OG1 3.49Å |
| 897 | K | 87.4 | Confident | 80 | Confident | 138 Ų | 138 | 101.2 Ų | 101.2 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.3 | -44.6 | 172.4 | -173 | -176.3 | 175.2 | -172 | 0 | 112.1 | I893 H895 T900 E901 | I893-K897 VanDerWaalsContact O-CB 3.25Å; I893-K897 WeakPolarHBondContact O-CB 3.48Å; I893-K897 PolarHBondContact O-N 2.93Å; H895-K897 VanDerWaalsContact C-N 3.33Å; H895-K897 PolarHBondContact O-N 3.41Å; K897-T900 VanDerWaalsContact CA-OG1 3.26Å; K897-T900 WeakPolarHBondContact CA-OG1 3.42Å; K897-T900 PolarHBondContact O-N 3.33Å; K897-T900 PolarHBondContact O-OG1 3.44Å; K897-E901 VanDerWaalsContact O-CB 3.26Å; K897-E901 WeakPolarHBondContact O-CB 3.49Å; K897-E901 PolarHBondContact O-N 3.42Å |
| 898 | A | 83.7 | Confident | 78.2 | Confident | 54 Ų | 54 | 104.7 Ų | 104.7 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q894 H895 E896 E901 M902 | Q894-A898 WeakPolarHBondContact O-CB 3.45Å; Q894-A898 PolarHBondContact O-N 3.35Å; H895-A898 WeakPolarHBondContact O-CB 3.26Å; H895-A898 PolarHBondContact O-N 3.49Å; H895-A898 VanDerWaalsContact O-N 3.09Å; E896-A898 PolarHBondContact O-N 2.65Å; A898-E901 PolarHBondContact O-N 2.97Å; A898-M902 VanDerWaalsContact O-CB 3.26Å; A898-M902 WeakPolarHBondContact O-CB 3.36Å; A898-M902 PolarHBondContact O-N 3.16Å |
| 899 | T | 83.2 | Confident | 76.4 | Confident | 68 Ų | 68 | 102.7 Ų | 102.7 | 42% | 0.417 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 173.8 | 14.9 | 0 | 0 | 0 | 0 | 112.7 | H895 E896 M902 L903 | H895-T899 PolarHBondContact O-N 3.15Å; H895-T899 PolarHBondContact O-OG1 3.24Å; E896-T899 VanDerWaalsContact CA-OG1 3.29Å; E896-T899 WeakPolarHBondContact CA-OG1 3.43Å; E896-T899 PolarHBondContact O-N 3.17Å; E896-T899 PolarHBondContact O-OG1 2.84Å; T899-M902 PolarHBondContact O-N 3.41Å; T899-L903 VanDerWaalsContact O-CB 3.3Å; T899-L903 WeakPolarHBondContact O-CB 3.19Å; T899-L903 PolarHBondContact O-N 3.38Å |
| 900 | T | 78.4 | Confident | 74.6 | Confident | 81 Ų | 81 | 105.6 Ų | 105.6 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.5 | -37 | 178.4 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | E896 K897 L903 A904 | E896-T900 WeakPolarHBondContact O-CG2 3.43Å; E896-T900 PolarHBondContact O-N 3.44Å; E896-T900 PolarHBondContact O-OG1 3.49Å; K897-T900 VanDerWaalsContact CA-OG1 3.26Å; K897-T900 WeakPolarHBondContact CA-OG1 3.42Å; K897-T900 PolarHBondContact O-N 3.33Å; K897-T900 PolarHBondContact O-OG1 3.44Å; T900-L903 PolarHBondContact O-N 3.47Å; T900-A904 VanDerWaalsContact O-CB 3.31Å; T900-A904 WeakPolarHBondContact O-CB 3.47Å; T900-A904 PolarHBondContact O-N 3.3Å |
| 901 | E | 84.4 | Confident | 72.7 | Confident | 114 Ų | 114 | 110.4 Ų | 110.4 | 53% | 0.533 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.8 | -42.2 | 172.1 | -170.8 | 165.1 | -157.3 | 0 | 0 | 111.2 | K897 A898 L903 A904 D905 | K897-E901 VanDerWaalsContact O-CB 3.26Å; K897-E901 WeakPolarHBondContact O-CB 3.49Å; K897-E901 PolarHBondContact O-N 3.42Å; A898-E901 PolarHBondContact O-N 2.97Å; E901-L903 VanDerWaalsContact C-N 3.34Å; E901-L903 PolarHBondContact O-N 3.47Å; E901-A904 CarbonylContact O-C 3.57Å; E901-A904 WeakPolarHBondContact O-CB 3.47Å; E901-A904 PolarHBondContact O-N 2.82Å; E901-D905 WeakPolarHBondContact O-CB 3.28Å; E901-D905 PolarHBondContact O-N 2.96Å |
| 902 | M | 77.6 | Confident | 70 | Confident | 128 Ų | 128 | 105.4 Ų | 105.4 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.4 | -35.2 | 175.6 | -156.4 | -175 | 77.1 | 0 | 0 | 112.2 | A898 T899 D905 E906 | A898-M902 VanDerWaalsContact O-CB 3.26Å; A898-M902 WeakPolarHBondContact O-CB 3.36Å; A898-M902 PolarHBondContact O-N 3.16Å; T899-M902 PolarHBondContact O-N 3.41Å; M902-D905 PolarHBondContact O-N 3.29Å; M902-E906 WeakPolarHBondContact O-CB 3.41Å; M902-E906 PolarHBondContact O-N 3.23Å |
| 903 | L | 70.8 | Confident | 67.4 | Low | 101 Ų | 101 | 105 Ų | 105 | 53% | 0.529 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.9 | -35.5 | 174.1 | -165.1 | 131.8 | 0 | 0 | 0 | 111.5 | T899 T900 E901 E906 L907 | T899-L903 VanDerWaalsContact O-CB 3.3Å; T899-L903 WeakPolarHBondContact O-CB 3.19Å; T899-L903 PolarHBondContact O-N 3.38Å; T900-L903 PolarHBondContact O-N 3.47Å; E901-L903 VanDerWaalsContact C-N 3.34Å; E901-L903 PolarHBondContact O-N 3.47Å; L903-E906 PolarHBondContact O-N 3.43Å; L903-L907 HydrophobicContact CD2-CD1 3.91Å; L903-L907 WeakPolarHBondContact O-CB 3.09Å; L903-L907 VanDerWaalsContact O-CG 3.32Å; L903-L907 WeakPolarHBondContact O-CG 3.45Å; L903-L907 PolarHBondContact O-N 3.39Å |
| 904 | A | 69.3 | Low | 65.1 | Low | 52 Ų | 52 | 106.3 Ų | 106.3 | 43% | 0.43 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.9 | -39.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T900 E901 L907 K908 | T900-A904 VanDerWaalsContact O-CB 3.31Å; T900-A904 WeakPolarHBondContact O-CB 3.47Å; T900-A904 PolarHBondContact O-N 3.3Å; E901-A904 CarbonylContact O-C 3.57Å; E901-A904 WeakPolarHBondContact O-CB 3.47Å; E901-A904 PolarHBondContact O-N 2.82Å; A904-L907 PolarHBondContact O-N 3.38Å; A904-K908 WeakPolarHBondContact O-CB 3.23Å; A904-K908 PolarHBondContact O-N 3.48Å |
| 905 | D | 72.4 | Confident | 62.7 | Low | 95 Ų | 95 | 107.6 Ų | 107.6 | 51% | 0.508 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71 | -33.6 | 173.6 | -79.9 | -20.1 | 0 | 0 | 0 | 112 | E901 M902 K908 G909 | E901-D905 WeakPolarHBondContact O-CB 3.28Å; E901-D905 PolarHBondContact O-N 2.96Å; M902-D905 PolarHBondContact O-N 3.29Å; D905-K908 CarbonylContact O-C 3.6Å; D905-K908 PolarHBondContact O-N 3.08Å; D905-G909 WeakPolarHBondContact O-CA 3.14Å; D905-G909 PolarHBondContact O-N 2.99Å |
| 906 | E | 65.8 | Low | 60.3 | Low | 95 Ų | 95 | 107.1 Ų | 107.1 | 44% | 0.444 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.9 | -42.5 | 170.7 | -169.5 | -170.9 | 159.6 | 0 | 0 | 110.5 | M902 L903 G909 R910 | M902-E906 WeakPolarHBondContact O-CB 3.41Å; M902-E906 PolarHBondContact O-N 3.23Å; L903-E906 PolarHBondContact O-N 3.43Å; E906-G909 PolarHBondContact O-N 3.34Å; E906-R910 WeakPolarHBondContact O-CB 3.35Å; E906-R910 VanDerWaalsContact O-CG 3.31Å; E906-R910 WeakPolarHBondContact O-CG 3.43Å; E906-R910 PolarHBondContact O-N 3.39Å; E906-R910 IonicContact OE1-CZ 3.84Å; E906-R910 IonicContact OE1-NE 2.93Å; E906-R910 PolarHBondContact OE1-NE 3.45Å; E906-R910 VanDerWaalsContact OE1-NE 3.13Å; E906-R910 IonicContact OE1-NH2 3.4Å; E906-R910 PolarHBondContact OE1-NH2 3.42Å |
| 907 | L | 53.7 | Low | 57.8 | Low | 87 Ų | 87 | 106.7 Ų | 106.7 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.6 | -44.9 | 173.1 | -76.4 | 166.3 | 0 | 0 | 0 | 110.7 | L903 A904 G909 R910 F911 | L903-L907 HydrophobicContact CD2-CD1 3.91Å; L903-L907 WeakPolarHBondContact O-CB 3.09Å; L903-L907 VanDerWaalsContact O-CG 3.32Å; L903-L907 WeakPolarHBondContact O-CG 3.45Å; L903-L907 PolarHBondContact O-N 3.39Å; A904-L907 PolarHBondContact O-N 3.38Å; L907-G909 VanDerWaalsContact C-N 3.26Å; L907-G909 PolarHBondContact O-N 3.23Å; L907-R910 PolarHBondContact O-N 3.49Å; L907-F911 WeakPolarHBondContact O-CD2 3.08Å; L907-F911 PolarHBondContact O-N 2.96Å |
| 908 | K | 47.6 | Very low | 55.5 | Low | 154 Ų | 154 | 104.7 Ų | 104.7 | 67% | 0.67 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.6 | -30.9 | 177.3 | -163.7 | 177.2 | -176.9 | -176.8 | 0 | 112.2 | A904 D905 F911 G912 | A904-K908 WeakPolarHBondContact O-CB 3.23Å; A904-K908 PolarHBondContact O-N 3.48Å; D905-K908 CarbonylContact O-C 3.6Å; D905-K908 PolarHBondContact O-N 3.08Å; K908-F911 CarbonylContact O-C 3.59Å; K908-F911 VanDerWaalsContact O-C 3.26Å; K908-G912 WeakPolarHBondContact O-CA 3.36Å; K908-G912 PolarHBondContact O-N 3.32Å |
| 909 | G | 47.9 | Very low | 53.3 | Low | 53 Ų | 53 | 109.4 Ų | 109.4 | 55% | 0.546 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -76.4 | -37.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D905 E906 L907 F911 G912 | D905-G909 WeakPolarHBondContact O-CA 3.14Å; D905-G909 PolarHBondContact O-N 2.99Å; E906-G909 PolarHBondContact O-N 3.34Å; L907-G909 VanDerWaalsContact C-N 3.26Å; L907-G909 PolarHBondContact O-N 3.23Å; G909-F911 PolarHBondContact O-N 3.45Å; G909-G912 PolarHBondContact O-N 2.89Å |
| 910 | R | 51.5 | Low | 51.1 | Low | 183 Ų | 183 | 112.5 Ų | 112.5 | 69% | 0.691 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.1 | -25.9 | 170.9 | -77.7 | -176.1 | -173.7 | -145.5 | 5.9 | 112.2 | E906 L907 | E906-R910 WeakPolarHBondContact O-CB 3.35Å; E906-R910 VanDerWaalsContact O-CG 3.31Å; E906-R910 WeakPolarHBondContact O-CG 3.43Å; E906-R910 PolarHBondContact O-N 3.39Å; E906-R910 IonicContact OE1-CZ 3.84Å; E906-R910 IonicContact OE1-NE 2.93Å; E906-R910 PolarHBondContact OE1-NE 3.45Å; E906-R910 VanDerWaalsContact OE1-NE 3.13Å; E906-R910 IonicContact OE1-NH2 3.4Å; E906-R910 PolarHBondContact OE1-NH2 3.42Å; L907-R910 PolarHBondContact O-N 3.49Å |
| 911 | F | 41.6 | Very low | 49 | Very low | 175 Ų | 175 | 115.3 Ų | 115.3 | 77% | 0.768 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 16.9 | 172.2 | -64.7 | -70.3 | 0 | 0 | 0 | 113 | L907 K908 G909 T913 | L907-F911 WeakPolarHBondContact O-CD2 3.08Å; L907-F911 PolarHBondContact O-N 2.96Å; K908-F911 CarbonylContact O-C 3.59Å; K908-F911 VanDerWaalsContact O-C 3.26Å; G909-F911 PolarHBondContact O-N 3.45Å; F911-T913 PolarHBondContact O-N 2.93Å |
| 912 | G | 34.1 | Very low | 46.6 | Very low | 37 Ų | 37 | 116.4 Ų | 116.4 | 38% | 0.381 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -80.1 | 87.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111 | K908 G909 T914 | K908-G912 WeakPolarHBondContact O-CA 3.36Å; K908-G912 PolarHBondContact O-N 3.32Å; G909-G912 PolarHBondContact O-N 2.89Å; G912-T914 PolarHBondContact O-N 2.88Å; G912-T914 VanDerWaalsContact O-N 3.15Å |
| 913 | T | 32.2 | Very low | 44.7 | Very low | 118 Ų | 118 | 116.7 Ų | 116.7 | 72% | 0.724 | 62% | 0.623 | S | S | * | * | trans | 42.9 | 57.9 | 154.2 | 66.8 | 0 | 0 | 0 | 0 | 115.3 | F911 D915 | F911-T913 PolarHBondContact O-N 2.93Å; T913-D915 PolarHBondContact O-N 3.43Å; T913-D915 VanDerWaalsContact O-N 3.13Å | ||
| 914 | T | 33.2 | Very low | 42.8 | Very low | 122 Ų | 122 | 120 Ų | 120 | 75% | 0.748 | 64% | 0.637 | S | S | * | * | trans | -70.8 | 94.5 | 136.4 | -21.5 | 0 | 0 | 0 | 0 | 104 | G912 I916 | G912-T914 PolarHBondContact O-N 2.88Å; G912-T914 VanDerWaalsContact O-N 3.15Å; T914-I916 HydrophobicContact CG2-CG1 4.01Å; T914-I916 PolarHBondContact O-N 3.37Å | ||
| 915 | D | 32.9 | Very low | 40.9 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 78% | 0.775 | 66% | 0.658 | S | S | * | * | trans | -58.9 | 77.9 | 159.1 | -76.1 | -39.6 | 0 | 0 | 0 | 106.3 | T913 N917 | T913-D915 PolarHBondContact O-N 3.43Å; T913-D915 VanDerWaalsContact O-N 3.13Å; D915-N917 PolarHBondContact O-N 2.95Å | ||
| 916 | I | 34.9 | Very low | 38.8 | Very low | 124 Ų | 124 | 131 Ų | 131 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | -69.7 | 86.6 | 163.5 | -59.8 | 177.5 | 0 | 0 | 0 | 102.2 | T914 V918 | T914-I916 HydrophobicContact CG2-CG1 4.01Å; T914-I916 PolarHBondContact O-N 3.37Å; I916-V918 HydrophobicContact CG2-CG2 3.93Å; I916-V918 WeakPolarHBondContact O-CG2 3.49Å; I916-V918 PolarHBondContact O-N 3.49Å | ||
| 917 | N | 31.7 | Very low | 37.1 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 62% | 0.62 | 69% | 0.687 | S | S | * | * | trans | -62.7 | 85.3 | 168.5 | -169.7 | -3.7 | 0 | 0 | 0 | 106.5 | D915 H919 N920 | D915-N917 PolarHBondContact O-N 2.95Å; N917-H919 PolarHBondContact O-N 3.24Å; N917-H919 WeakPolarHBondContact OD1-CB 3.47Å; N917-H919 PolarHBondContact OD1-N 2.98Å; N917-N920 PolarHBondContact O-N 3.04Å | ||
| 918 | V | 37.9 | Very low | 35.8 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 58% | 0.582 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -60 | -3.5 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | I916 N920 | I916-V918 HydrophobicContact CG2-CG2 3.93Å; I916-V918 WeakPolarHBondContact O-CG2 3.49Å; I916-V918 PolarHBondContact O-N 3.49Å; V918-N920 PolarHBondContact O-N 3.49Å |
| 919 | H | 38 | Very low | 35 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -76 | 0.4 | 172 | -79.1 | 69.3 | 0 | 0 | 0 | 115.4 | N917 | N917-H919 PolarHBondContact O-N 3.24Å; N917-H919 WeakPolarHBondContact OD1-CB 3.47Å; N917-H919 PolarHBondContact OD1-N 2.98Å |
| 920 | N | 36.3 | Very low | 33.9 | Very low | 132 Ų | 132 | 143 Ų | 143 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -109.5 | 0.4 | 178.5 | -120.3 | 14.6 | 0 | 0 | 0 | 117.3 | N917 V918 | N917-N920 PolarHBondContact O-N 3.04Å; V918-N920 PolarHBondContact O-N 3.49Å |
| 921 | I | 35.2 | Very low | 32.7 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -20.3 | 174.7 | -62.5 | 179.9 | 0 | 0 | 0 | 112.4 | N923 | I921-N923 PolarHBondContact O-N 3.33Š|
| 922 | N | 34.9 | Very low | 31.9 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 3.4 | -178.4 | -78.2 | -16.6 | 0 | 0 | 0 | 115.6 | ||
| 923 | N | 37.3 | Very low | 31.7 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 3 | -179.7 | -75.9 | -22.5 | 0 | 0 | 0 | 115.8 | I921 | I921-N923 PolarHBondContact O-N 3.33Š|
| 924 | E | 31.1 | Very low | 31.5 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -95.9 | -2.6 | -179.1 | -126.3 | -179.4 | -175.8 | 0 | 0 | 115.7 | ||
| 925 | F | 29.1 | Very low | 31.4 | Very low | 201 Ų | 201 | 151.2 Ų | 151.2 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -126.6 | 49.6 | 174.5 | -80.1 | -80.8 | 0 | 0 | 0 | 113.4 | ||
| 926 | K | 27.4 | Very low | 31.9 | Very low | 175 Ų | 175 | 150 Ų | 150 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -163.7 | 121.5 | 149.6 | -111.9 | 160.5 | -175.2 | 174.9 | 0 | 110.8 | ||
| 927 | T | 30.2 | Very low | 31.4 | Very low | 130 Ų | 130 | 151.8 Ų | 151.8 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | 101.8 | 72.6 | 165 | 76.6 | 0 | 0 | 0 | 0 | 117.3 | N929 | T927-N929 PolarHBondContact O-N 3.09Š| ||
| 928 | K | 27.1 | Very low | 31.4 | Very low | 211 Ų | 211 | 150.1 Ų | 150.1 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | -64.6 | 81.3 | 143.3 | -152.1 | 178.3 | -164.8 | 175.9 | 0 | 107.8 | ||||
| 929 | N | 29.6 | Very low | 30.9 | Very low | 137 Ų | 137 | 151.6 Ų | 151.6 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -161.7 | 98.1 | 162.9 | -98.5 | -17 | 0 | 0 | 0 | 111.9 | T927 | T927-N929 PolarHBondContact O-N 3.09Š| ||
| 930 | Q | 26.1 | Very low | 30.5 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | 59.9 | 117.2 | 132.3 | -76.2 | -172.5 | 12 | 0 | 0 | 122.4 | ||||
| 931 | Y | 25.2 | Very low | 30.3 | Very low | 213 Ų | 213 | 148 Ų | 148 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 72.4 | 111 | 142.3 | -75.4 | -79.9 | 0 | 0 | 0 | 122 | ||||
| 932 | A | 26.1 | Very low | 29.9 | Very low | 95 Ų | 95 | 148 Ų | 148 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 51.3 | 113.8 | 134.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 933 | D | 30 | Very low | 29.7 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | -163.4 | 149.3 | 101.7 | -147.6 | -10.6 | 0 | 0 | 0 | 111.4 | |||||
| 934 | S | 26.9 | Very low | 29.2 | Very low | 96 Ų | 96 | 148.4 Ų | 148.4 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | trans | -96.3 | 147.5 | -173.1 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 935 | R | 30.6 | Very low | 29.2 | Very low | 241 Ų | 241 | 147.5 Ų | 147.5 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | 164.7 | 156.7 | 128.1 | -89.8 | 167 | -173.7 | -147.2 | 2.6 | 113.9 | |||||
| 936 | P | 43.8 | Very low | 29 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -118 | 169.4 | -131.5 | 41.9 | -32.8 | 0 | 0 | 0 | 116.5 | ||||
| 937 | I | 25.3 | Very low | 29.1 | Very low | 162 Ų | 162 | 143 Ų | 143 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -40.8 | 130.9 | 166.6 | -62.5 | 161.4 | 0 | 0 | 0 | 113.5 | ||||
| 938 | G | 31 | Very low | 29.1 | Very low | 81 Ų | 81 | 143.8 Ų | 143.8 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -112.1 | 122.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 939 | N | 28.5 | Very low | 29.1 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | trans | -103.4 | 168 | -176.3 | -164.6 | 35.2 | 0 | 0 | 0 | 110.5 | ||||
| 940 | D | 28.5 | Very low | 29 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | 84.8 | 134.2 | 157.7 | -61.7 | -45.1 | 0 | 0 | 0 | 120.3 | ||||
| 941 | G | 31.3 | Very low | 29 | Very low | 68 Ų | 68 | 141.4 Ų | 141.4 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 150.8 | 54.2 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | N943 | G941-N943 PolarHBondContact O-N 2.89Š| ||
| 942 | N | 27.4 | Very low | 29.2 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -50.6 | 123.5 | 162.6 | -162.5 | 8.1 | 0 | 0 | 0 | 111.4 | ||||
| 943 | N | 31.7 | Very low | 29.3 | Very low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -139.7 | 92.1 | 169.9 | -94.4 | -27 | 0 | 0 | 0 | 110.7 | G941 N945 | G941-N943 PolarHBondContact O-N 2.89Å; N943-N945 PolarHBondContact O-N 3.33Å | ||
| 944 | N | 26.6 | Very low | 29.3 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -64.2 | 109.6 | 161.3 | -74.6 | -35.2 | 0 | 0 | 0 | 109.7 | ||||
| 945 | N | 30.9 | Very low | 29.4 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -110.3 | 85.4 | 163 | -80.1 | -29.2 | 0 | 0 | 0 | 108.8 | N943 | N943-N945 PolarHBondContact O-N 3.33Š| ||
| 946 | Q | 24.8 | Very low | 29.1 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -90.1 | 100.1 | 165.6 | -159.8 | 168.4 | 16.8 | 0 | 0 | 106.3 | ||||
| 947 | A | 29.5 | Very low | 28.9 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | trans | -129.6 | 105.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 948 | D | 29.2 | Very low | 29 | Very low | 146 Ų | 146 | 137 Ų | 137 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | 56.8 | 106.5 | 141.2 | -66.3 | -30.7 | 0 | 0 | 0 | 121.4 | N950 | D948-N950 PolarHBondContact O-N 3.3Š| ||
| 949 | R | 27.3 | Very low | 28.9 | Very low | 244 Ų | 244 | 137.9 Ų | 137.9 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -21.1 | 110.1 | 133.6 | -74 | 176 | 169.2 | 169.6 | -2.8 | 112.6 | ||||
| 950 | N | 28.8 | Very low | 28.7 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -124.9 | 104.2 | 153.9 | -98.5 | -26.7 | 0 | 0 | 0 | 109.2 | D948 | D948-N950 PolarHBondContact O-N 3.3Š| ||
| 951 | G | 26.4 | Very low | 28.7 | Very low | 59 Ų | 59 | 137.1 Ų | 137.1 | 61% | 0.608 | 80% | 0.798 | S | S | * | * | trans | -70.3 | 122.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 952 | N | 28.9 | Very low | 28.6 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -97.8 | 87.9 | 160.5 | -92 | -14.9 | 0 | 0 | 0 | 108.3 | S954 | N952-S954 PolarHBondContact O-N 3.43Š| ||
| 953 | H | 28.7 | Very low | 28.5 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -77.1 | 86.3 | 162 | -72.6 | -72.1 | 0 | 0 | 0 | 108.9 | S955 | H953-S955 PolarHBondContact O-N 2.91Š| ||
| 954 | S | 30.2 | Very low | 28.2 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -79.8 | 101.6 | 164.3 | 55.3 | 0 | 0 | 0 | 0 | 108.7 | N952 | N952-S954 PolarHBondContact O-N 3.43Š| ||
| 955 | S | 27.2 | Very low | 28.3 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -83.9 | 120.8 | 173.4 | 4.3 | 0 | 0 | 0 | 0 | 109 | H953 | H953-S955 PolarHBondContact O-N 2.91Š| ||
| 956 | E | 25.6 | Very low | 28.1 | Very low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -142.7 | 145.5 | 160.5 | -103.6 | -164.1 | 145.7 | 0 | 0 | 109.1 | ||||
| 957 | P | 38.1 | Very low | 28.2 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | -107.9 | 145.6 | -121.5 | 14.6 | 4 | 0 | 0 | 0 | 113.1 | A959 | P957-A959 PolarHBondContact O-N 3.49Š| |||
| 958 | S | 28.2 | Very low | 28 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -55.6 | 94.9 | 167.1 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | L960 | S958-L960 VanDerWaalsContact C-N 3.29Å; S958-L960 PolarHBondContact O-N 3.42Å | ||
| 959 | A | 28.5 | Very low | 27.8 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -85.2 | 75.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | P957 | P957-A959 PolarHBondContact O-N 3.49Š| ||
| 960 | L | 25 | Very low | 27.7 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -101.8 | 99.2 | 161.2 | -77.3 | 174.7 | 0 | 0 | 0 | 108.1 | S958 | S958-L960 VanDerWaalsContact C-N 3.29Å; S958-L960 PolarHBondContact O-N 3.42Å | ||
| 961 | A | 28.3 | Very low | 27.6 | Very low | 91 Ų | 91 | 139.8 Ų | 139.8 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -165.8 | 126.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 962 | S | 28.7 | Very low | 27.5 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | 79.8 | 71 | 152.2 | -50.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 963 | L | 26.3 | Very low | 27.5 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -142.6 | 58.6 | 140.2 | -77 | -179.3 | 0 | 0 | 0 | 110.4 | ||||
| 964 | S | 25.4 | Very low | 27.3 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -76.1 | 138.3 | 152.7 | 53.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 965 | N | 28 | Very low | 27.3 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 93.2 | 74 | 174.5 | -55.7 | -11.8 | 0 | 0 | 0 | 116.6 | ||||
| 966 | F | 27.7 | Very low | 27.2 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -128.6 | 94.3 | 139.5 | -97.2 | -83.6 | 0 | 0 | 0 | 109.6 | Y968 | F966-Y968 PolarHBondContact O-N 3.02Å; F966-Y968 VanDerWaalsContact O-N 3.09Å | ||
| 967 | N | 26.8 | Very low | 27.2 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -58.5 | 104 | 164.6 | -80.4 | -34 | 0 | 0 | 0 | 108.8 | R969 | N967-R969 VanDerWaalsContact C-N 3.27Å; N967-R969 PolarHBondContact O-N 2.87Å | ||
| 968 | Y | 24.7 | Very low | 26.6 | Very low | 212 Ų | 212 | 141.1 Ų | 141.1 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -71.3 | 91.3 | 163.8 | -85.3 | -82.4 | 0 | 0 | 0 | 108.7 | F966 T970 | F966-Y968 PolarHBondContact O-N 3.02Å; F966-Y968 VanDerWaalsContact O-N 3.09Å; Y968-T970 PolarHBondContact O-N 3.24Å; Y968-T970 VanDerWaalsContact O-N 3.14Å | ||
| 969 | R | 25.2 | Very low | 26.5 | Very low | 219 Ų | 219 | 141.4 Ų | 141.4 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -70.5 | 93.8 | 161.2 | -171.2 | -178.6 | -166.5 | -173.4 | 4.2 | 107.4 | N967 T971 | N967-R969 VanDerWaalsContact C-N 3.27Å; N967-R969 PolarHBondContact O-N 2.87Å; R969-T971 PolarHBondContact O-N 3.49Å | ||
| 970 | T | 25.7 | Very low | 26.4 | Very low | 127 Ų | 127 | 142 Ų | 142 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -71.1 | 94.7 | 171.5 | -29.8 | 0 | 0 | 0 | 0 | 108.2 | Y968 T972 | Y968-T970 PolarHBondContact O-N 3.24Å; Y968-T970 VanDerWaalsContact O-N 3.14Å; T970-T972 PolarHBondContact O-N 3.05Å | ||
| 971 | T | 26.8 | Very low | 26.4 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | trans | -68.1 | 108.5 | 165.1 | 32.3 | 0 | 0 | 0 | 0 | 108.8 | R969 A973 | R969-T971 PolarHBondContact O-N 3.49Å; T971-A973 PolarHBondContact O-N 3.25Å | ||
| 972 | T | 24.4 | Very low | 26.3 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -63 | 106.2 | 165.2 | 30.9 | 0 | 0 | 0 | 0 | 109.4 | T970 T974 | T970-T972 PolarHBondContact O-N 3.05Å; T972-T974 PolarHBondContact O-N 3.45Å | ||
| 973 | A | 27.4 | Very low | 26.2 | Very low | 91 Ų | 91 | 151 Ų | 151 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -90.1 | 95.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | T971 T975 | T971-A973 PolarHBondContact O-N 3.25Å; A973-T975 PolarHBondContact O-N 3.49Å; A973-T975 VanDerWaalsContact O-N 3.15Å | ||
| 974 | T | 26.3 | Very low | 26.2 | Very low | 128 Ų | 128 | 149.9 Ų | 149.9 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -63 | 104.6 | 168.3 | -48.7 | 0 | 0 | 0 | 0 | 108.9 | T972 | T972-T974 PolarHBondContact O-N 3.45Š| ||
| 975 | T | 28.6 | Very low | 26.4 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | -101 | 106.4 | 165.5 | -50.6 | 0 | 0 | 0 | 0 | 107.3 | A973 M977 | A973-T975 PolarHBondContact O-N 3.49Å; A973-T975 VanDerWaalsContact O-N 3.15Å; T975-M977 PolarHBondContact O-N 3.48Å | ||
| 976 | Q | 26.4 | Very low | 26.3 | Very low | 178 Ų | 178 | 149.4 Ų | 149.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -53.4 | 118.5 | 169.7 | -82.8 | 169.4 | -23.2 | 0 | 0 | 109.1 | N978 | Q976-N978 PolarHBondContact O-N 3.05Å; Q976-N978 VanDerWaalsContact O-N 3.07Å | ||
| 977 | M | 25.1 | Very low | 26.3 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -70 | 99 | 164.5 | -70.1 | -164.5 | -171 | 0 | 0 | 107.8 | T975 T979 | T975-M977 PolarHBondContact O-N 3.48Å; M977-T979 PolarHBondContact O-N 2.89Å | ||
| 978 | N | 26.4 | Very low | 26.2 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -77.6 | 108.9 | 162.8 | -151.9 | 35.5 | 0 | 0 | 0 | 106.9 | Q976 D980 | Q976-N978 PolarHBondContact O-N 3.05Å; Q976-N978 VanDerWaalsContact O-N 3.07Å; N978-D980 VanDerWaalsContact C-N 3.26Å; N978-D980 PolarHBondContact ND2-OD2 3.36Å; N978-D980 VanDerWaalsContact ND2-OD2 3.09Å; N978-D980 PolarHBondContact O-N 2.93Å | ||
| 979 | T | 25.3 | Very low | 26.2 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -75.8 | 76.5 | 177 | 49 | 0 | 0 | 0 | 0 | 109.6 | M977 | M977-T979 PolarHBondContact O-N 2.89Š| ||
| 980 | D | 25.5 | Very low | 26.3 | Very low | 113 Ų | 113 | 140 Ų | 140 | 60% | 0.604 | 77% | 0.774 | S | S | * | * | trans | -95.2 | 112.9 | 165.1 | -75.7 | -40.6 | 0 | 0 | 0 | 109.4 | N978 Y982 | N978-D980 VanDerWaalsContact C-N 3.26Å; N978-D980 PolarHBondContact ND2-OD2 3.36Å; N978-D980 VanDerWaalsContact ND2-OD2 3.09Å; N978-D980 PolarHBondContact O-N 2.93Å; D980-Y982 PolarHBondContact O-N 2.91Å | ||
| 981 | I | 26.8 | Very low | 26.3 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | trans | -57.3 | 100.1 | -179.7 | -63.5 | 162.2 | 0 | 0 | 0 | 109.1 | Q983 | I981-Q983 PolarHBondContact O-N 3.3Š| ||
| 982 | Y | 24.7 | Very low | 26.3 | Very low | 215 Ų | 215 | 145.5 Ų | 145.5 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -90 | 100.5 | 165.6 | -90.9 | -82.8 | 0 | 0 | 0 | 110.1 | D980 N984 | D980-Y982 PolarHBondContact O-N 2.91Å; Y982-N984 PolarHBondContact O-N 3.34Å; Y982-N984 VanDerWaalsContact O-N 3.11Å | ||
| 983 | Q | 27.4 | Very low | 26.5 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -55.4 | 103.1 | 163.4 | -127 | 155.5 | -7.2 | 0 | 0 | 109.1 | I981 | I981-Q983 PolarHBondContact O-N 3.3Š| ||
| 984 | N | 25.1 | Very low | 26.5 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -68.1 | 124.5 | 172.1 | -96.5 | -35.6 | 0 | 0 | 0 | 109.3 | Y982 S986 | Y982-N984 PolarHBondContact O-N 3.34Å; Y982-N984 VanDerWaalsContact O-N 3.11Å; N984-S986 PolarHBondContact O-N 2.97Å | ||
| 985 | P | 30.1 | Very low | 26.5 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | trans | -69.8 | 131.2 | 178.2 | 28.3 | -30.9 | 0 | 0 | 0 | 109.9 | V987 | P985-V987 PolarHBondContact O-N 3.01Š| ||
| 986 | S | 25.3 | Very low | 26.3 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -60.1 | 108.1 | 178.2 | 30.1 | 0 | 0 | 0 | 0 | 111.8 | N984 S988 | N984-S986 PolarHBondContact O-N 2.97Å; S986-S988 PolarHBondContact O-N 2.78Å; S986-S988 VanDerWaalsContact O-N 3.16Å | ||
| 987 | V | 27.7 | Very low | 26.3 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -79.1 | 98.3 | 166.9 | -176.1 | 0 | 0 | 0 | 0 | 108 | P985 Y989 | P985-V987 PolarHBondContact O-N 3.01Å; V987-Y989 PolarHBondContact O-N 3.07Å | ||
| 988 | S | 25.5 | Very low | 26.3 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -71.8 | 111.1 | 174.2 | 34.2 | 0 | 0 | 0 | 0 | 110.3 | S986 T990 | S986-S988 PolarHBondContact O-N 2.78Å; S986-S988 VanDerWaalsContact O-N 3.16Å; S988-T990 PolarHBondContact O-N 3.14Å | ||
| 989 | Y | 25.4 | Very low | 26.1 | Very low | 222 Ų | 222 | 149.3 Ų | 149.3 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | trans | -76.8 | 105.8 | 164.9 | -92.5 | -89.3 | 0 | 0 | 0 | 109 | V987 Q991 | V987-Y989 PolarHBondContact O-N 3.07Å; Y989-Q991 PolarHBondContact O-N 3.17Å; Y989-Q991 VanDerWaalsContact O-N 3.17Å | ||
| 990 | T | 27.2 | Very low | 26.1 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | trans | -69.3 | 107.4 | 171.8 | 51.6 | 0 | 0 | 0 | 0 | 109.9 | S988 K992 | S988-T990 PolarHBondContact O-N 3.14Å; T990-K992 PolarHBondContact O-N 3.15Å; T990-K992 VanDerWaalsContact O-N 3.09Å | ||
| 991 | Q | 26 | Very low | 26.2 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -54 | 108 | 165.1 | -93.9 | 171.3 | -28 | 0 | 0 | 109.9 | Y989 F993 | Y989-Q991 PolarHBondContact O-N 3.17Å; Y989-Q991 VanDerWaalsContact O-N 3.17Å; Q991-F993 PolarHBondContact O-N 3.35Å | ||
| 992 | K | 26.8 | Very low | 26.3 | Very low | 193 Ų | 193 | 151.5 Ų | 151.5 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -78.6 | 112.4 | 161.3 | -74.4 | -178.5 | 175.9 | -179.4 | 0 | 107.3 | T990 P994 | T990-K992 PolarHBondContact O-N 3.15Å; T990-K992 VanDerWaalsContact O-N 3.09Å; K992-P994 VanDerWaalsContact O-CD 3.25Å; K992-P994 WeakPolarHBondContact O-CD 3.37Å | ||
| 993 | F | 27.3 | Very low | 26.5 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | -70.1 | 120.9 | 171.3 | -71.9 | -89.7 | 0 | 0 | 0 | 110.4 | Q991 | Q991-F993 PolarHBondContact O-N 3.35Š| ||
| 994 | P | 28 | Very low | 26.5 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -103.4 | 107.4 | 159.6 | 18.5 | 3.1 | 0 | 0 | 0 | 108.6 | K992 | K992-P994 VanDerWaalsContact O-CD 3.25Å; K992-P994 WeakPolarHBondContact O-CD 3.37Å | ||
| 995 | T | 26.9 | Very low | 26.5 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 69% | 0.693 | 78% | 0.781 | S | S | * | * | trans | 31.2 | 107.4 | 137.3 | -31.5 | 0 | 0 | 0 | 0 | 117.8 | Y997 | T995-Y997 WeakPolarHBondContact O-CD2 3.3Å; T995-Y997 PolarHBondContact O-N 3.34Å | ||
| 996 | T | 23.9 | Very low | 26.4 | Very low | 128 Ų | 128 | 148.9 Ų | 148.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -15.4 | 104.2 | 151.7 | -47.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 997 | Y | 26.1 | Very low | 26.4 | Very low | 216 Ų | 216 | 145.9 Ų | 145.9 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | -93.8 | 113.8 | 159.2 | -83 | -86.9 | 0 | 0 | 0 | 109 | T995 L999 | T995-Y997 WeakPolarHBondContact O-CD2 3.3Å; T995-Y997 PolarHBondContact O-N 3.34Å; Y997-L999 PolarHBondContact O-N 3.49Å | ||
| 998 | T | 24.8 | Very low | 26.2 | Very low | 127 Ų | 127 | 150.7 Ų | 150.7 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -64.8 | 113.4 | 174.5 | -38.1 | 0 | 0 | 0 | 0 | 109.1 | T1000 | T998-T1000 PolarHBondContact O-N 3.23Š| ||
| 999 | L | 22.7 | Very low | 26.2 | Very low | 163 Ų | 163 | 152.7 Ų | 152.7 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -68.1 | 107.1 | 175.7 | -83.3 | 109.6 | 0 | 0 | 0 | 110.9 | Y997 | Y997-L999 PolarHBondContact O-N 3.49Š| ||
| 1000 | T | 25.6 | Very low | 26.3 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | -90.5 | 121.4 | 152 | 34.4 | 0 | 0 | 0 | 0 | 108.7 | T998 | T998-T1000 PolarHBondContact O-N 3.23Š| ||
| 1001 | P | 26.5 | Very low | 26.3 | Very low | 115 Ų | 115 | 153 Ų | 153 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | trans | -88.1 | 128.1 | -170.9 | 33.6 | -30.7 | 0 | 0 | 0 | 111.4 | ||||
| 1002 | H | 28.7 | Very low | 26.4 | Very low | 191 Ų | 191 | 153.2 Ų | 153.2 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | trans | -127.1 | 141.7 | 157.2 | -108 | -76.6 | 0 | 0 | 0 | 109.4 | ||||
| 1003 | P | 30.4 | Very low | 26.3 | Very low | 83 Ų | 83 | 153.2 Ų | 153.2 | 54% | 0.539 | 80% | 0.795 | S | S | . | * | trans | -96.8 | 156.4 | -154.9 | 34.7 | -26.5 | 0 | 0 | 0 | 114.3 | ||||
| 1004 | S | 27.2 | Very low | 26.3 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -64.3 | 133 | -175 | -38.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1005 | Y | 23.7 | Very low | 26.3 | Very low | 229 Ų | 229 | 148.9 Ų | 148.9 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -176.9 | 113.7 | 130.2 | -113.8 | -84.5 | 0 | 0 | 0 | 108 | ||||
| 1006 | L | 28.3 | Very low | 26.3 | Very low | 171 Ų | 171 | 151.3 Ų | 151.3 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | trans | -168.1 | 120.8 | 147 | -105.7 | 161.5 | 0 | 0 | 0 | 108.8 | ||||
| 1007 | G | 25.2 | Very low | 26.5 | Very low | 53 Ų | 53 | 153.6 Ų | 153.6 | 55% | 0.546 | 81% | 0.807 | S | S | . | * | trans | -67 | 149 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1009 | G1007-D1009 PolarHBondContact O-N 2.96Š| ||
| 1008 | Y | 24.9 | Very low | 26.7 | Very low | 229 Ų | 229 | 150.5 Ų | 150.5 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | 30.4 | 74.4 | 147.3 | -54.9 | -75.2 | 0 | 0 | 0 | 116.4 | ||||
| 1009 | D | 25.1 | Very low | 26.8 | Very low | 142 Ų | 142 | 150.3 Ų | 150.3 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -91.9 | 97.3 | 156.7 | -151.8 | -12.1 | 0 | 0 | 0 | 108.2 | G1007 R1011 | G1007-D1009 PolarHBondContact O-N 2.96Å; D1009-R1011 PolarHBondContact O-N 3.24Å | ||
| 1010 | T | 27.7 | Very low | 26.9 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -75.1 | 59.9 | 174.5 | 35.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1011 | R | 27 | Very low | 27 | Very low | 214 Ų | 214 | 149.3 Ų | 149.3 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -148.1 | 80.5 | 173.2 | -69.6 | -168 | 176 | -173.9 | -0.2 | 112.6 | D1009 | D1009-R1011 PolarHBondContact O-N 3.24Š| ||
| 1012 | L | 27.6 | Very low | 27 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | trans | -135.8 | 93.7 | 147.1 | -95.8 | 166.6 | 0 | 0 | 0 | 109 | A1014 | L1012-A1014 PolarHBondContact O-N 3.31Å; L1012-A1014 VanDerWaalsContact O-N 3.13Å | ||
| 1013 | H | 25.4 | Very low | 26.9 | Very low | 193 Ų | 193 | 153.8 Ų | 153.8 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | trans | -50.7 | 107.5 | 157.1 | -105.8 | -90.2 | 0 | 0 | 0 | 108.9 | ||||
| 1014 | A | 27.5 | Very low | 26.7 | Very low | 93 Ų | 93 | 158.9 Ų | 158.9 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -97.1 | 119.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108 | L1012 I1016 | L1012-A1014 PolarHBondContact O-N 3.31Å; L1012-A1014 VanDerWaalsContact O-N 3.13Å; A1014-I1016 PolarHBondContact O-N 3.29Å | ||
| 1015 | S | 27.7 | Very low | 26.9 | Very low | 114 Ų | 114 | 159.9 Ų | 159.9 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | trans | -51.1 | 127.7 | -176.6 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | M1017 | S1015-M1017 PolarHBondContact O-N 3.44Š| ||
| 1016 | I | 27.5 | Very low | 27 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | trans | -53.3 | 111.3 | 165.9 | -64.8 | 168.8 | 0 | 0 | 0 | 107.8 | A1014 N1018 | A1014-I1016 PolarHBondContact O-N 3.29Å; I1016-N1018 PolarHBondContact O-N 2.97Å | ||
| 1017 | M | 27.9 | Very low | 26.9 | Very low | 177 Ų | 177 | 153.8 Ų | 153.8 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 126.7 | 169.6 | -83.8 | 166.8 | 67.5 | 0 | 0 | 109.3 | S1015 | S1015-M1017 PolarHBondContact O-N 3.44Š|
| 1018 | N | 30.4 | Very low | 26.9 | Very low | 151 Ų | 151 | 156.5 Ų | 156.5 | 81% | 0.807 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 135.3 | 174.7 | -84.2 | -43.8 | 0 | 0 | 0 | 112.2 | I1016 M1020 | I1016-N1018 PolarHBondContact O-N 2.97Å; N1018-M1020 PolarHBondContact O-N 3.34Å |
| 1019 | P | 27 | Very low | 26.9 | Very low | 122 Ų | 122 | 155.1 Ų | 155.1 | 79% | 0.792 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 121.5 | 176.9 | 27.5 | -31.3 | 0 | 0 | 0 | 110.6 | A1021 | P1019-A1021 PolarHBondContact O-N 3.15Š|
| 1020 | M | 23.4 | Very low | 26.9 | Very low | 182 Ų | 182 | 156.5 Ų | 156.5 | 90% | 0.897 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 118.6 | 174.9 | -80.1 | 171.5 | 54.1 | 0 | 0 | 110.9 | N1018 I1022 | N1018-M1020 PolarHBondContact O-N 3.34Å; M1020-I1022 PolarHBondContact O-N 2.87Å |
| 1021 | A | 28.3 | Very low | 26.7 | Very low | 93 Ų | 93 | 160.3 Ų | 160.3 | 77% | 0.769 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 119.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P1019 R1023 | P1019-A1021 PolarHBondContact O-N 3.15Å; A1021-R1023 PolarHBondContact O-N 3.39Å; A1021-R1023 VanDerWaalsContact O-N 3.16Å |
| 1022 | I | 26.6 | Very low | 26.5 | Very low | 165 Ų | 165 | 154.7 Ų | 154.7 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | trans | -65.5 | 106.4 | 170.9 | -62.7 | 168.3 | 0 | 0 | 0 | 108.1 | M1020 Q1024 | M1020-I1022 PolarHBondContact O-N 2.87Å; I1022-Q1024 PolarHBondContact O-N 3.15Å | ||
| 1023 | R | 26.7 | Very low | 26.5 | Very low | 235 Ų | 235 | 155.5 Ų | 155.5 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | -77.7 | 113.8 | 168.2 | -78.9 | -172.8 | 176.4 | -146.1 | 0.3 | 109 | A1021 T1025 | A1021-R1023 PolarHBondContact O-N 3.39Å; A1021-R1023 VanDerWaalsContact O-N 3.16Å; R1023-T1025 PolarHBondContact O-N 3.2Å | ||
| 1024 | Q | 26.6 | Very low | 26.3 | Very low | 191 Ų | 191 | 149.6 Ų | 149.6 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 127.7 | 167.4 | -85.5 | 179.4 | -12.5 | 0 | 0 | 110.5 | I1022 | I1022-Q1024 PolarHBondContact O-N 3.15Š|
| 1025 | T | 30 | Very low | 26.2 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 128.2 | 175.4 | 42.1 | 0 | 0 | 0 | 0 | 110.3 | R1023 | R1023-T1025 PolarHBondContact O-N 3.2Š|
| 1026 | G | 27.1 | Very low | 26 | Very low | 77 Ų | 77 | 153.5 Ų | 153.5 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 135 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1028 | G1026-S1028 PolarHBondContact O-N 2.61Š|
| 1027 | Q | 24.9 | Very low | 25.8 | Very low | 195 Ų | 195 | 152.9 Ų | 152.9 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | -72.3 | 114.9 | 176.8 | -66.3 | 175.3 | -17.9 | 0 | 0 | 111 | ||||
| 1028 | S | 26.2 | Very low | 25.9 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -104.5 | 107.9 | 162.3 | 53.5 | 0 | 0 | 0 | 0 | 109.6 | G1026 L1030 | G1026-S1028 PolarHBondContact O-N 2.61Å; S1028-L1030 PolarHBondContact O-N 3.39Å | ||
| 1029 | K | 24.1 | Very low | 25.5 | Very low | 200 Ų | 200 | 150.1 Ų | 150.1 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | trans | -56 | 124.9 | 172.1 | -69 | 171.3 | 174.8 | 176.4 | 0 | 110.2 | ||||
| 1030 | L | 25.6 | Very low | 25.7 | Very low | 171 Ų | 171 | 149.9 Ų | 149.9 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | trans | -123.4 | 133.8 | 161.4 | -92 | 168.2 | 0 | 0 | 0 | 109.8 | S1028 | S1028-L1030 PolarHBondContact O-N 3.39Š| ||
| 1031 | Y | 23.6 | Very low | 25.8 | Very low | 215 Ų | 215 | 152.6 Ų | 152.6 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | -68.5 | 143.8 | -165.6 | -98.3 | -104.5 | 0 | 0 | 0 | 113.4 | ||||
| 1032 | S | 22.6 | Very low | 25.6 | Very low | 95 Ų | 95 | 159 Ų | 159 | 66% | 0.664 | 82% | 0.824 | S | S | * | * | trans | -51 | 131.8 | 163.1 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1033 | Q | 26.9 | Very low | 25.7 | Very low | 189 Ų | 189 | 157.8 Ų | 157.8 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -142.9 | 103.4 | 147.4 | -153.3 | 78.8 | -3.2 | 0 | 0 | 107.6 | ||||
| 1034 | G | 22.3 | Very low | 25.8 | Very low | 69 Ų | 69 | 151.4 Ų | 151.4 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | -80.4 | 141.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1035 | V | 25.8 | Very low | 25.9 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | trans | -134.3 | 115.5 | 158.6 | 178.3 | 0 | 0 | 0 | 0 | 107.2 | I1037 | V1035-I1037 HydrophobicContact CG1-CD1 4.5Å; V1035-I1037 HydrophobicContact CG1-CG1 4.27Å | ||
| 1036 | I | 21.5 | Very low | 25.8 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 82% | 0.821 | 81% | 0.814 | S | S | * | * | trans | -94 | 125.8 | 178.2 | -66.1 | 168.5 | 0 | 0 | 0 | 107.3 | ||||
| 1037 | I | 25.2 | Very low | 25.8 | Very low | 151 Ų | 151 | 156 Ų | 156 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | trans | -132.2 | 119.2 | 165.1 | -57 | -179.4 | 0 | 0 | 0 | 108.1 | V1035 | V1035-I1037 HydrophobicContact CG1-CD1 4.5Å; V1035-I1037 HydrophobicContact CG1-CG1 4.27Å | ||
| 1038 | P | 28.1 | Very low | 25.8 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 149.7 | -170 | 34.1 | -33.1 | 0 | 0 | 0 | 114.1 | ||
| 1039 | N | 22.2 | Very low | 25.8 | Very low | 156 Ų | 156 | 153.2 Ų | 153.2 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 125 | -173.8 | -164.4 | 5.2 | 0 | 0 | 0 | 111.8 | ||
| 1040 | P | 32.4 | Very low | 25.8 | Very low | 117 Ų | 117 | 152.8 Ų | 152.8 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 151.5 | -179.8 | 26.7 | -15.4 | 0 | 0 | 0 | 114.2 | ||
| 1041 | R | 24.5 | Very low | 25.7 | Very low | 239 Ų | 239 | 150 Ų | 150 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 147.7 | -168.1 | -71.4 | 174 | 171.5 | 171 | -4.6 | 115.3 | ||
| 1042 | Y | 25.5 | Very low | 25.8 | Very low | 228 Ų | 228 | 147 Ų | 147 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | -23.3 | 135 | 152.2 | -76 | -97.4 | 0 | 0 | 0 | 118 | ||||
| 1043 | T | 28.8 | Very low | 25.9 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -137.1 | 137.5 | 147.1 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1044 | S | 27.2 | Very low | 26 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -62.7 | 151.6 | 179.7 | 48.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1045 | D | 28.5 | Very low | 26.1 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | 179.5 | 96.4 | 130.9 | -84.3 | -15.6 | 0 | 0 | 0 | 109.6 | ||||
| 1046 | H | 29 | Very low | 26.2 | Very low | 186 Ų | 186 | 149.6 Ų | 149.6 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -106.5 | 103.1 | 174.2 | -81.7 | -58 | 0 | 0 | 0 | 110.2 | ||||
| 1047 | N | 27.2 | Very low | 26.3 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -105.9 | 94.7 | 165.6 | -137.2 | 4.9 | 0 | 0 | 0 | 107.1 | ||||
| 1048 | V | 25.4 | Very low | 26.4 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 62% | 0.624 | 81% | 0.808 | S | S | * | * | trans | -99.6 | 98.8 | -179 | 180 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1049 | I | 26.4 | Very low | 26.3 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | trans | -79.2 | 117.8 | 168.2 | -66.9 | 173.9 | 0 | 0 | 0 | 107.8 | S1051 | I1049-S1051 PolarHBondContact O-N 3.25Š| ||
| 1050 | F | 22.5 | Very low | 26.5 | Very low | 192 Ų | 192 | 148.6 Ų | 148.6 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | -70.5 | 117.1 | 169.7 | -76.5 | -92.6 | 0 | 0 | 0 | 109.6 | ||||
| 1051 | S | 24.1 | Very low | 26.1 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -116.5 | 114.8 | 159 | -82.9 | 0 | 0 | 0 | 0 | 108.6 | I1049 G1053 | I1049-S1051 PolarHBondContact O-N 3.25Å; S1051-G1053 PolarHBondContact O-N 3.16Å | ||
| 1052 | T | 25.6 | Very low | 26.2 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 92% | 0.92 | 80% | 0.798 | S | S | * | * | trans | -67.2 | 115.9 | 169.2 | 48.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1053 | G | 25.5 | Very low | 26.2 | Very low | 57 Ų | 57 | 142.4 Ų | 142.4 | 59% | 0.588 | 80% | 0.801 | S | S | * | * | trans | -161.7 | 90.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S1051 T1055 | S1051-G1053 PolarHBondContact O-N 3.16Å; G1053-T1055 PolarHBondContact O-N 2.7Å; G1053-T1055 VanDerWaalsContact O-N 3.13Å | ||
| 1054 | T | 28.7 | Very low | 26 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | trans | -46.3 | 112.5 | 159.8 | 27.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1055 | T | 24.9 | Very low | 25.9 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -143.5 | 138.9 | 163.5 | 32.3 | 0 | 0 | 0 | 0 | 110.6 | G1053 | G1053-T1055 PolarHBondContact O-N 2.7Å; G1053-T1055 VanDerWaalsContact O-N 3.13Å | ||
| 1056 | Q | 27.1 | Very low | 25.9 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -61.4 | 145.2 | -164.3 | -70 | 158.1 | -25 | 0 | 0 | 113.3 | ||||
| 1057 | L | 23.9 | Very low | 25.7 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -48 | 125.5 | 170 | -91.1 | 120.8 | 0 | 0 | 0 | 110.9 | T1059 | L1057-T1059 PolarHBondContact O-N 2.64Š| ||
| 1058 | P | 27.2 | Very low | 25.5 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | trans | -75.9 | 115.3 | 179.2 | 21.9 | -16.2 | 0 | 0 | 0 | 109.7 | L1060 | P1058-L1060 PolarHBondContact O-N 2.87Š| ||
| 1059 | T | 25.9 | Very low | 25.5 | Very low | 130 Ų | 130 | 145 Ų | 145 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -60 | 98.8 | 161.1 | 45.6 | 0 | 0 | 0 | 0 | 109.4 | L1057 S1061 | L1057-T1059 PolarHBondContact O-N 2.64Å; T1059-S1061 PolarHBondContact O-N 3.49Å | ||
| 1060 | L | 25.6 | Very low | 25.3 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | -88.3 | 81.5 | 166.9 | -79.1 | 169.6 | 0 | 0 | 0 | 109.5 | P1058 N1062 | P1058-L1060 PolarHBondContact O-N 2.87Å; L1060-N1062 PolarHBondContact O-N 3.24Å | ||
| 1061 | S | 24.2 | Very low | 25.3 | Very low | 96 Ų | 96 | 149.9 Ų | 149.9 | 67% | 0.671 | 83% | 0.825 | S | S | * | * | trans | -66 | 104.8 | 152.4 | 53.1 | 0 | 0 | 0 | 0 | 108.3 | T1059 | T1059-S1061 PolarHBondContact O-N 3.49Š| ||
| 1062 | N | 26.4 | Very low | 25.3 | Very low | 139 Ų | 139 | 156.5 Ų | 156.5 | 74% | 0.743 | 83% | 0.832 | S | S | * | * | trans | -168.2 | 88.8 | 157 | -95.1 | -19.1 | 0 | 0 | 0 | 108.4 | L1060 | L1060-N1062 PolarHBondContact O-N 3.24Š| ||
| 1063 | F | 26.5 | Very low | 25.2 | Very low | 218 Ų | 218 | 153.6 Ų | 153.6 | 96% | 0.956 | 82% | 0.824 | S | S | * | * | trans | -167.7 | 81.2 | 141.3 | -97.9 | -68.6 | 0 | 0 | 0 | 107 | ||||
| 1064 | H | 25.2 | Very low | 25.2 | Very low | 198 Ų | 198 | 160.1 Ų | 160.1 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | trans | -80 | 130.5 | 162.9 | -99.6 | -33.4 | 0 | 0 | 0 | 109.2 | ||||
| 1065 | G | 25 | Very low | 25.3 | Very low | 67 Ų | 67 | 160.8 Ų | 160.8 | 69% | 0.691 | 84% | 0.837 | S | S | * | * | trans | 85.8 | 89.3 | 143 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1066 | V | 27 | Very low | 25.3 | Very low | 135 Ų | 135 | 161.4 Ų | 161.4 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -140 | 104.7 | 136.1 | -168.5 | 0 | 0 | 0 | 0 | 107.7 | Y1068 | V1066-Y1068 PolarHBondContact O-N 3.4Š| ||
| 1067 | D | 24.9 | Very low | 25.8 | Very low | 157 Ų | 157 | 157.6 Ų | 157.6 | 84% | 0.84 | 83% | 0.827 | S | S | * | * | trans | -58.4 | 117 | 176.5 | -88.7 | -43.4 | 0 | 0 | 0 | 111.4 | S1069 | D1067-S1069 VanDerWaalsContact C-N 3.34Å; D1067-S1069 PolarHBondContact O-N 2.84Å | ||
| 1068 | Y | 23.9 | Very low | 26 | Very low | 233 Ų | 233 | 154.9 Ų | 154.9 | 91% | 0.914 | 82% | 0.822 | S | S | * | * | trans | -71.3 | 86.5 | 167 | -88.6 | -92.5 | 0 | 0 | 0 | 109.8 | V1066 M1070 | V1066-Y1068 PolarHBondContact O-N 3.4Å; Y1068-M1070 PolarHBondContact O-N 3.2Å | ||
| 1069 | S | 25.1 | Very low | 26.2 | Very low | 105 Ų | 105 | 159.7 Ų | 159.7 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | trans | -84.9 | 103.3 | 161.6 | 40.6 | 0 | 0 | 0 | 0 | 109.2 | D1067 R1071 | D1067-S1069 VanDerWaalsContact C-N 3.34Å; D1067-S1069 PolarHBondContact O-N 2.84Å; S1069-R1071 PolarHBondContact O-N 3.18Å | ||
| 1070 | M | 22 | Very low | 26.3 | Very low | 194 Ų | 194 | 159.9 Ų | 159.9 | 96% | 0.956 | 83% | 0.833 | S | S | * | * | trans | -50.3 | 103.5 | 169.7 | -75.3 | -175 | -168 | 0 | 0 | 110.7 | Y1068 | Y1068-M1070 PolarHBondContact O-N 3.2Š| ||
| 1071 | R | 23.6 | Very low | 26.5 | Very low | 244 Ų | 244 | 158.5 Ų | 158.5 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -107.1 | 98.5 | 154.9 | -83.2 | -167.8 | -176.5 | -144.8 | 2.7 | 109.3 | S1069 A1073 | S1069-R1071 PolarHBondContact O-N 3.18Å; R1071-A1073 PolarHBondContact O-N 2.59Å; R1071-A1073 VanDerWaalsContact O-N 3.14Å | ||
| 1072 | R | 23.1 | Very low | 26.5 | Very low | 251 Ų | 251 | 164.2 Ų | 164.2 | 95% | 0.947 | 84% | 0.839 | S | S | * | * | trans | -43.7 | 105.6 | 159.2 | -169 | -177.2 | -141.1 | -174.6 | 4.6 | 109.8 | ||||
| 1073 | A | 23.6 | Very low | 26.5 | Very low | 90 Ų | 90 | 164.8 Ų | 164.8 | 74% | 0.744 | 84% | 0.842 | S | S | * | * | trans | -119.8 | 134.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | R1071 | R1071-A1073 PolarHBondContact O-N 2.59Å; R1071-A1073 VanDerWaalsContact O-N 3.14Å | ||
| 1074 | Q | 26 | Very low | 26.5 | Very low | 194 Ų | 194 | 161.6 Ų | 161.6 | 91% | 0.907 | 84% | 0.835 | S | S | * | * | trans | -76.5 | 136.4 | -157.9 | -69.3 | 167 | -49.4 | 0 | 0 | 112.5 | ||||
| 1075 | N | 30.7 | Very low | 26.6 | Very low | 163 Ų | 163 | 156.4 Ų | 156.4 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | trans | -86.3 | 134.6 | 170.1 | -78.9 | -28.6 | 0 | 0 | 0 | 110 | ||||
| 1076 | D | 24.2 | Very low | 26.7 | Very low | 152 Ų | 152 | 159.3 Ų | 159.3 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | trans | -109.7 | 118.4 | -177.3 | -148.4 | -7.8 | 0 | 0 | 0 | 109.4 | ||||
| 1077 | P | 37.1 | Very low | 26.6 | Very low | 112 Ų | 112 | 159 Ų | 159 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -125.2 | 131.3 | 169.3 | 34 | -19 | 0 | 0 | 0 | 112.3 | ||||
| 1078 | S | 29.8 | Very low | 26.7 | Very low | 109 Ų | 109 | 157 Ų | 157 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | -132.5 | 127.8 | 157.4 | 58.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1079 | K | 30.3 | Very low | 26.7 | Very low | 210 Ų | 210 | 157 Ų | 157 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -134.7 | 113 | 178 | -140.2 | -179.5 | -170.7 | 178.8 | 0 | 103.8 | ||||
| 1080 | T | 29.3 | Very low | 26.7 | Very low | 135 Ų | 135 | 157.7 Ų | 157.7 | 83% | 0.828 | 82% | 0.821 | S | S | * | * | trans | -113.8 | 136.4 | 176 | 28.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1081 | T | 28.5 | Very low | 27 | Very low | 126 Ų | 126 | 156 Ų | 156 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 134.3 | -176.6 | -50.2 | 0 | 0 | 0 | 0 | 112 | ||
| 1082 | Y | 24.1 | Very low | 27.1 | Very low | 216 Ų | 216 | 149.8 Ų | 149.8 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -95 | 116.5 | 164.9 | -97.7 | -93.5 | 0 | 0 | 0 | 108.7 | ||
| 1083 | D | 26.1 | Very low | 27.5 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 117 | 168.1 | -87.7 | -35.8 | 0 | 0 | 0 | 109.8 | A1085 | D1083-A1085 PolarHBondContact O-N 3.5Š|
| 1084 | N | 27.9 | Very low | 27.9 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -83.3 | 94.3 | 172.7 | -80.7 | -20.3 | 0 | 0 | 0 | 109.8 | V1086 | N1084-V1086 PolarHBondContact O-N 2.97Š| ||
| 1085 | A | 26.6 | Very low | 27.7 | Very low | 89 Ų | 89 | 143 Ų | 143 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -72.3 | 106.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | D1083 T1087 | D1083-A1085 PolarHBondContact O-N 3.5Å; A1085-T1087 PolarHBondContact O-N 2.89Å | ||
| 1086 | V | 27.3 | Very low | 27.6 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -63.2 | 101.1 | 173.6 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | N1084 T1088 | N1084-V1086 PolarHBondContact O-N 2.97Å; V1086-T1088 HydrophobicContact CG1-CG2 4.49Å; V1086-T1088 PolarHBondContact O-N 3.03Å | ||
| 1087 | T | 25.2 | Very low | 28 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -86.5 | 99.1 | 170.4 | -55.6 | 0 | 0 | 0 | 0 | 108.3 | A1085 R1089 | A1085-T1087 PolarHBondContact O-N 2.89Å; T1087-R1089 PolarHBondContact O-N 3.08Å | ||
| 1088 | T | 26 | Very low | 27.5 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -62.4 | 112.5 | 168.1 | 34.6 | 0 | 0 | 0 | 0 | 109.4 | V1086 T1090 | V1086-T1088 HydrophobicContact CG1-CG2 4.49Å; V1086-T1088 PolarHBondContact O-N 3.03Å; T1088-T1090 PolarHBondContact O-N 3.25Å | ||
| 1089 | R | 23.5 | Very low | 27.5 | Very low | 234 Ų | 234 | 143.9 Ų | 143.9 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -89.7 | 98 | 171.5 | -130.5 | -175.4 | -134.9 | -158.2 | 4.5 | 108.8 | T1087 I1091 | T1087-R1089 PolarHBondContact O-N 3.08Å; R1089-I1091 PolarHBondContact O-N 2.89Å | ||
| 1090 | T | 25.4 | Very low | 27.3 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -62.7 | 114.2 | 169.6 | -35.3 | 0 | 0 | 0 | 0 | 108.8 | T1088 | T1088-T1090 PolarHBondContact O-N 3.25Š| ||
| 1091 | I | 29.5 | Very low | 27.3 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | trans | -102.9 | 101.2 | 165.4 | -62.6 | 177.3 | 0 | 0 | 0 | 106.3 | R1089 G1093 | R1089-I1091 PolarHBondContact O-N 2.89Å; I1091-G1093 PolarHBondContact O-N 3.03Å | ||
| 1092 | S | 25.6 | Very low | 27.4 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -68.8 | 113 | 173.6 | -38.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1093 | G | 30.3 | Very low | 27.4 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -129.5 | 123.6 | 169 | 0 | 0 | 0 | 0 | 0 | 108 | I1091 | I1091-G1093 PolarHBondContact O-N 3.03Š| ||
| 1094 | T | 31.7 | Very low | 27.6 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -62.1 | 133.4 | -161.6 | 43.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1095 | Q | 23 | Very low | 27.9 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -66.2 | 126.8 | 164.9 | 173.1 | 173.1 | -2.8 | 0 | 0 | 109.7 | ||||
| 1096 | D | 29.3 | Very low | 28.6 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -160.9 | 142.4 | 149.3 | -84.9 | -33.2 | 0 | 0 | 0 | 109.9 | ||||
| 1097 | D | 31.1 | Very low | 29.1 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | 76.5 | 86.1 | 168.2 | -62.9 | -18.5 | 0 | 0 | 0 | 120.8 | G1099 | D1097-G1099 PolarHBondContact O-N 3.35Š| ||
| 1098 | L | 26.5 | Very low | 29.9 | Very low | 180 Ų | 180 | 138.7 Ų | 138.7 | 94% | 0.942 | 79% | 0.794 | S | S | * | * | trans | -60.1 | 107.8 | 148.8 | -73.9 | 158.9 | 0 | 0 | 0 | 110.5 | ||||
| 1099 | G | 29.9 | Very low | 30.6 | Very low | 67 Ų | 67 | 142.4 Ų | 142.4 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | -117.7 | 105.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | D1097 T1101 | D1097-G1099 PolarHBondContact O-N 3.35Å; G1099-T1101 PolarHBondContact O-N 2.94Å | ||
| 1100 | N | 26.2 | Very low | 31.6 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -61.8 | 121.9 | 167.3 | -76.8 | -15.5 | 0 | 0 | 0 | 109.8 | ||||
| 1101 | T | 30.5 | Very low | 32.5 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -139.8 | 124.3 | 155.3 | 44.6 | 0 | 0 | 0 | 0 | 110 | G1099 | G1099-T1101 PolarHBondContact O-N 2.94Š| ||
| 1102 | E | 30 | Very low | 33.2 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -62.2 | 160.2 | -177.6 | -74.5 | 169.5 | 137 | 0 | 0 | 113.8 | T1104 | E1102-T1104 PolarHBondContact O-N 3.29Š| ||
| 1103 | C | 23.1 | Very low | 34.1 | Very low | 129 Ų | 129 | 139 Ų | 139 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -57.9 | 120.1 | -177.8 | -158.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1104 | T | 31 | Very low | 34.6 | Very low | 132 Ų | 132 | 142 Ų | 142 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -134.3 | 116 | 158.3 | 52.3 | 0 | 0 | 0 | 0 | 110.9 | E1102 | E1102-T1104 PolarHBondContact O-N 3.29Š| ||
| 1105 | D | 35 | Very low | 35.1 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | 68.9 | 113.2 | 145.2 | -134.8 | -13.6 | 0 | 0 | 0 | 120.4 | S1107 | D1105-S1107 VanDerWaalsContact C-N 3.28Å; D1105-S1107 PolarHBondContact O-N 3.2Å | ||
| 1106 | S | 40 | Very low | 36.1 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 12.5 | -169.2 | -68.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1107 | S | 38.7 | Very low | 36.8 | Very low | 80 Ų | 80 | 139.1 Ų | 139.1 | 56% | 0.559 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -19.7 | -177.6 | 63 | 0 | 0 | 0 | 0 | 114.4 | D1105 | D1105-S1107 VanDerWaalsContact C-N 3.28Å; D1105-S1107 PolarHBondContact O-N 3.2Å |
| 1108 | Q | 40.9 | Very low | 37.3 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -82.9 | -21.9 | 178.5 | -82.5 | -166.8 | -46.1 | 0 | 0 | 114.8 | E1110 N1111 E1112 | Q1108-E1110 PolarHBondContact O-N 3.43Å; Q1108-N1111 PolarHBondContact O-N 2.93Å; Q1108-E1112 PolarHBondContact O-N 3.16Å; Q1108-E1112 VanDerWaalsContact O-N 3.16Å |
| 1109 | R | 41.8 | Very low | 38.2 | Very low | 194 Ų | 194 | 132.9 Ų | 132.9 | 73% | 0.732 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -68 | -23.2 | -178.4 | -104.8 | -178.7 | -177.3 | -177.4 | 3.5 | 113.8 | R1113 | R1109-R1113 WeakPolarHBondContact O-CG 3.45Å; R1109-R1113 PolarHBondContact O-N 3.24Å |
| 1110 | E | 43.1 | Very low | 38.7 | Very low | 131 Ų | 131 | 134 Ų | 134 | 61% | 0.612 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -81.6 | -34.5 | 178.8 | -166.3 | 143.5 | -169 | 0 | 0 | 112.4 | Q1108 R1113 K1114 | Q1108-E1110 PolarHBondContact O-N 3.43Å; E1110-R1113 PolarHBondContact O-N 2.71Å; E1110-K1114 PolarHBondContact O-N 2.99Å |
| 1111 | N | 44.3 | Very low | 39.1 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 56% | 0.561 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75.4 | -31.9 | 176.1 | -76.1 | -24 | 0 | 0 | 0 | 112.8 | Q1108 K1114 R1115 | Q1108-N1111 PolarHBondContact O-N 2.93Å; N1111-K1114 PolarHBondContact O-N 3.05Å; N1111-R1115 PolarHBondContact O-N 3.4Å |
| 1112 | E | 46.2 | Very low | 39.4 | Very low | 133 Ų | 133 | 128 Ų | 128 | 62% | 0.621 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.9 | -33.7 | 170.8 | -76.4 | -173 | 155.3 | 0 | 0 | 112.7 | Q1108 K1114 R1115 S1116 | Q1108-E1112 PolarHBondContact O-N 3.16Å; Q1108-E1112 VanDerWaalsContact O-N 3.16Å; E1112-K1114 VanDerWaalsContact C-N 3.3Å; E1112-K1114 PolarHBondContact O-N 3.22Å; E1112-R1115 PolarHBondContact O-N 2.98Å; E1112-S1116 VanDerWaalsContact O-CB 3.24Å; E1112-S1116 WeakPolarHBondContact O-CB 3.19Å; E1112-S1116 PolarHBondContact O-N 3.24Å |
| 1113 | R | 43.1 | Very low | 39.9 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 70% | 0.702 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -62.4 | -38.8 | 170.9 | -81.4 | -176.5 | -170.4 | -140.2 | 2.6 | 111.8 | R1109 E1110 I1117 | R1109-R1113 WeakPolarHBondContact O-CG 3.45Å; R1109-R1113 PolarHBondContact O-N 3.24Å; E1110-R1113 PolarHBondContact O-N 2.71Å; R1113-I1117 WeakPolarHBondContact O-CG1 3.48Å; R1113-I1117 PolarHBondContact O-N 3.43Å |
| 1114 | K | 41.2 | Very low | 40.3 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 57% | 0.574 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.4 | -35.3 | 176.3 | -69.3 | -179.8 | -177.6 | 177 | 0 | 112.8 | E1110 N1111 E1112 | E1110-K1114 PolarHBondContact O-N 2.99Å; N1111-K1114 PolarHBondContact O-N 3.05Å; E1112-K1114 VanDerWaalsContact C-N 3.3Å; E1112-K1114 PolarHBondContact O-N 3.22Å |
| 1115 | R | 42.9 | Very low | 40.4 | Very low | 211 Ų | 211 | 132.6 Ų | 132.6 | 80% | 0.796 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.8 | -31.6 | 175.4 | -79.2 | -176.5 | 173.9 | -136.6 | -1.1 | 114.2 | N1111 E1112 I1117 F1118 G1119 | N1111-R1115 PolarHBondContact O-N 3.4Å; E1112-R1115 PolarHBondContact O-N 2.98Å; R1115-I1117 VanDerWaalsContact C-N 3.32Å; R1115-I1117 PolarHBondContact O-N 3.28Å; R1115-F1118 PolarHBondContact O-N 3.24Å; R1115-G1119 PolarHBondContact O-N 3Å |
| 1116 | S | 44.2 | Very low | 40.1 | Very low | 77 Ų | 77 | 135 Ų | 135 | 54% | 0.538 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -68.3 | -31 | 178.2 | -172.7 | 0 | 0 | 0 | 0 | 112.5 | E1112 T1120 | E1112-S1116 VanDerWaalsContact O-CB 3.24Å; E1112-S1116 WeakPolarHBondContact O-CB 3.19Å; E1112-S1116 PolarHBondContact O-N 3.24Å; S1116-T1120 PolarHBondContact O-N 3.12Å; S1116-T1120 PolarHBondContact O-OG1 2.87Å |
| 1117 | I | 43.1 | Very low | 39.6 | Very low | 123 Ų | 123 | 142 Ų | 142 | 63% | 0.631 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.4 | -40 | 176.4 | -66.4 | 169 | 0 | 0 | 0 | 110.4 | R1113 R1115 | R1113-I1117 WeakPolarHBondContact O-CG1 3.48Å; R1113-I1117 PolarHBondContact O-N 3.43Å; R1115-I1117 VanDerWaalsContact C-N 3.32Å; R1115-I1117 PolarHBondContact O-N 3.28Å |
| 1118 | F | 41.3 | Very low | 39.2 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 72% | 0.724 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -75.4 | -34.1 | 176.4 | -90.8 | -83.1 | 0 | 0 | 0 | 114.1 | R1115 T1120 L1121 G1122 | R1115-F1118 PolarHBondContact O-N 3.24Å; F1118-T1120 VanDerWaalsContact C-N 3.28Å; F1118-T1120 PolarHBondContact O-N 3.45Å; F1118-L1121 PolarHBondContact O-N 2.92Å; F1118-G1122 PolarHBondContact O-N 3.01Å |
| 1119 | G | 45 | Very low | 38.4 | Very low | 42 Ų | 42 | 144.9 Ų | 144.9 | 43% | 0.433 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -66.4 | -28.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | R1115 | R1115-G1119 PolarHBondContact O-N 3Å |
| 1120 | T | 40.3 | Very low | 38 | Very low | 92 Ų | 92 | 141 Ų | 141 | 56% | 0.564 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -75.7 | -31.8 | 178.4 | -50.3 | 0 | 0 | 0 | 0 | 111.5 | S1116 F1118 | S1116-T1120 PolarHBondContact O-N 3.12Å; S1116-T1120 PolarHBondContact O-OG1 2.87Å; F1118-T1120 VanDerWaalsContact C-N 3.28Å; F1118-T1120 PolarHBondContact O-N 3.45Å |
| 1121 | L | 35.7 | Very low | 37.2 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 61% | 0.607 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -69.7 | -34.9 | 173.6 | -126.2 | 85.5 | 0 | 0 | 0 | 112.3 | F1118 R1123 M1124 | F1118-L1121 PolarHBondContact O-N 2.92Å; L1121-R1123 PolarHBondContact O-N 3.13Å; L1121-M1124 PolarHBondContact O-N 3.34Å |
| 1122 | G | 37.1 | Very low | 36.4 | Very low | 58 Ų | 58 | 144.1 Ų | 144.1 | 60% | 0.598 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -68.6 | -27.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | F1118 | F1118-G1122 PolarHBondContact O-N 3.01Å |
| 1123 | R | 40.7 | Very low | 35.5 | Very low | 223 Ų | 223 | 144.4 Ų | 144.4 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -83.7 | -11.9 | 178.6 | -66.5 | -166.3 | -150.5 | -127.8 | 5.4 | 114 | L1121 F1125 | L1121-R1123 PolarHBondContact O-N 3.13Å; R1123-F1125 VanDerWaalsContact C-N 3.3Å; R1123-F1125 PolarHBondContact O-N 3.26Å |
| 1124 | M | 31.4 | Very low | 34.8 | Very low | 144 Ų | 144 | 141 Ų | 141 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -12.6 | 179.3 | -86.3 | 179.8 | 59.4 | 0 | 0 | 114.5 | L1121 | L1121-M1124 PolarHBondContact O-N 3.34Š|
| 1125 | F | 32.8 | Very low | 34.2 | Very low | 182 Ų | 182 | 142 Ų | 142 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 27.3 | -176.6 | -72.2 | -76.1 | 0 | 0 | 0 | 115.5 | R1123 | R1123-F1125 VanDerWaalsContact C-N 3.3Å; R1123-F1125 PolarHBondContact O-N 3.26Å |
| 1126 | K | 29.3 | Very low | 33.4 | Very low | 188 Ų | 188 | 137 Ų | 137 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | trans | -116.8 | 103.9 | 167.2 | -113.2 | 178.3 | 178.1 | 177.2 | 0 | 111.6 | P1128 | K1126-P1128 WeakPolarHBondContact O-CD 3.2Š| ||
| 1127 | R | 28.1 | Very low | 32.6 | Very low | 253 Ų | 253 | 142 Ų | 142 | 96% | 0.955 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -60 | 125.2 | 174.1 | -80 | -179.2 | 173.7 | -169.5 | -1.5 | 111.5 | ||
| 1128 | P | 30.6 | Very low | 31.9 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 143.4 | 166.2 | 5.1 | 15.5 | 0 | 0 | 0 | 111.7 | K1126 | K1126-P1128 WeakPolarHBondContact O-CD 3.2Š|
| 1129 | N | 24.3 | Very low | 31.2 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 151.3 | -175.4 | -123.3 | -6.3 | 0 | 0 | 0 | 113 | ||
| 1130 | P | 33.9 | Very low | 30.3 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 151.8 | -164.5 | 37.8 | -32.1 | 0 | 0 | 0 | 115 | ||
| 1131 | V | 25.5 | Very low | 29.5 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -138 | 139.2 | 170 | -171.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1132 | N | 27.5 | Very low | 29.1 | Very low | 152 Ų | 152 | 148.8 Ų | 148.8 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -67.1 | 164.5 | -174 | -77.3 | -32.4 | 0 | 0 | 0 | 116.8 | ||||
| 1133 | V | 27.7 | Very low | 28.7 | Very low | 139 Ų | 139 | 152.4 Ų | 152.4 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | 166.2 | 161.2 | 122 | 167.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 1134 | T | 28.1 | Very low | 28.1 | Very low | 114 Ų | 114 | 149 Ų | 149 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -115.7 | 166.5 | -146.5 | 49.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1135 | N | 27.7 | Very low | 27.9 | Very low | 152 Ų | 152 | 151.6 Ų | 151.6 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 91.9 | 142.1 | 136.8 | -83.7 | -1.5 | 0 | 0 | 0 | 126.7 | ||||
| 1136 | S | 27.5 | Very low | 27.7 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 86.4 | 103.7 | 141.3 | 59.8 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 1137 | Q | 27.2 | Very low | 27.6 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | 37.1 | 150.9 | 110.4 | -123.1 | 149.7 | -33.9 | 0 | 0 | 127.9 | |||||
| 1138 | N | 27.9 | Very low | 27.5 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | 90.8 | 152 | 158.8 | -65.3 | -20.3 | 0 | 0 | 0 | 118.8 | ||||
| 1139 | Q | 26 | Very low | 27.3 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | cis | 179 | 157.9 | -20.8 | -157.2 | -170.7 | 71.5 | 0 | 0 | 108.6 | ||||
| 1140 | V | 26.4 | Very low | 27.3 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 64% | 0.642 | 78% | 0.778 | S | S | * | * | trans | 92 | 117 | 151.1 | -162.8 | 0 | 0 | 0 | 0 | 126 | ||||
| 1141 | E | 25 | Very low | 26.9 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 26.4 | 140.7 | 135.4 | -57.4 | 178.2 | 138.5 | 0 | 0 | 131 | ||||
| 1142 | S | 26.6 | Very low | 26.9 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | 102.5 | 126.7 | 126.5 | 73.2 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1143 | T | 27.9 | Very low | 26.9 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | 126.9 | 136.5 | 134.4 | -41.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1144 | L | 28.2 | Very low | 27 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -108.2 | 163.7 | -163 | -78.1 | 143.8 | 0 | 0 | 0 | 116.4 | ||||
| 1145 | K | 28.8 | Very low | 27.3 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | 163 | 122.1 | 136.5 | -93 | 171.6 | -179.6 | 177.6 | 0 | 110.6 | ||||
| 1146 | S | 26.6 | Very low | 27.1 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | 81.6 | 120.8 | 75.5 | 179 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1147 | V | 29 | Very low | 26.9 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | 166.4 | 144.3 | 125.6 | 162 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1148 | A | 25.6 | Very low | 26.7 | Very low | 84 Ų | 84 | 148.5 Ų | 148.5 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | trans | -114.4 | 160.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1149 | S | 26.2 | Very low | 26.5 | Very low | 116 Ų | 116 | 151 Ų | 151 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | 165 | 129.2 | 133.2 | -75 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1150 | S | 25 | Very low | 26.4 | Very low | 98 Ų | 98 | 148.1 Ų | 148.1 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | 27.1 | 136.1 | 141.6 | 62.3 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1151 | N | 25.3 | Very low | 26.2 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | 179.1 | 156.4 | 111.5 | -96.9 | -16.9 | 0 | 0 | 0 | 116.1 | |||||
| 1152 | Q | 24 | Very low | 26.1 | Very low | 193 Ų | 193 | 151.8 Ų | 151.8 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -98.1 | 163.4 | -167.8 | -74.9 | 173.8 | -25 | 0 | 0 | 116.4 | ||||
| 1153 | Q | 28.2 | Very low | 26 | Very low | 192 Ų | 192 | 155.3 Ų | 155.3 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | trans | -84.7 | 164.1 | 174.2 | -71.9 | 172.4 | -45.2 | 0 | 0 | 115.6 | ||||
| 1154 | P | 30.5 | Very low | 25.8 | Very low | 124 Ų | 124 | 155 Ų | 155 | 81% | 0.805 | 84% | 0.835 | S | S | * | * | trans | -137.7 | 169.2 | 143.9 | 31.3 | -11.6 | 0 | 0 | 0 | 116 | ||||
| 1155 | P | 33.7 | Very low | 25.6 | Very low | 128 Ų | 128 | 156.6 Ų | 156.6 | 83% | 0.831 | 84% | 0.837 | S | S | * | * | trans | -113.6 | 163.4 | -151.2 | 39.9 | -29.2 | 0 | 0 | 0 | 117.5 | ||||
| 1156 | L | 24.3 | Very low | 25.6 | Very low | 176 Ų | 176 | 153 Ų | 153 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | trans | -113.3 | 148.2 | -176.2 | -73.3 | 171.6 | 0 | 0 | 0 | 114.5 | ||||
| 1157 | R | 22.8 | Very low | 25.5 | Very low | 237 Ų | 237 | 153.5 Ų | 153.5 | 89% | 0.894 | 84% | 0.838 | S | S | * | * | trans | -110.7 | 144.3 | -174.1 | -131.8 | -175.3 | -168.3 | 174.8 | 3.3 | 111.4 | ||||
| 1158 | F | 22.9 | Very low | 25.1 | Very low | 189 Ų | 189 | 152.7 Ų | 152.7 | 83% | 0.829 | 84% | 0.837 | S | S | * | * | trans | -88.8 | 147.8 | -177.9 | -77.9 | -95.5 | 0 | 0 | 0 | 113.6 | ||||
| 1159 | H | 23.5 | Very low | 25 | Very low | 188 Ų | 188 | 158.3 Ų | 158.3 | 87% | 0.87 | 85% | 0.849 | S | S | * | * | trans | -134.2 | 129.8 | 159.8 | -82.4 | -77 | 0 | 0 | 0 | 111 | ||||
| 1160 | S | 23.6 | Very low | 24.8 | Very low | 108 Ų | 108 | 163.8 Ų | 163.8 | 76% | 0.755 | 85% | 0.854 | S | S | * | * | trans | -107.2 | 140.7 | 178 | -49.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1161 | N | 23 | Very low | 24.6 | Very low | 172 Ų | 172 | 167.1 Ų | 167.1 | 92% | 0.92 | 86% | 0.859 | S | S | * | * | trans | -130.2 | 133.1 | 165.8 | -91.7 | -16.3 | 0 | 0 | 0 | 110.7 | ||||
| 1162 | Q | 23.5 | Very low | 24.5 | Very low | 184 Ų | 184 | 165.6 Ų | 165.6 | 86% | 0.86 | 86% | 0.855 | S | S | * | * | trans | -89.5 | 144.4 | 179.4 | -65.5 | 172.4 | 9.6 | 0 | 0 | 110.5 | ||||
| 1163 | L | 23 | Very low | 24.4 | Very low | 172 Ų | 172 | 166 Ų | 166 | 90% | 0.901 | 85% | 0.85 | S | S | * | * | trans | -140.6 | 139.3 | 161.5 | -89.2 | 163.4 | 0 | 0 | 0 | 110.2 | ||||
| 1164 | T | 25.4 | Very low | 24.3 | Very low | 129 Ų | 129 | 164.2 Ų | 164.2 | 79% | 0.791 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -95 | 144.4 | -160.9 | 38 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1165 | H | 23.6 | Very low | 24 | Very low | 182 Ų | 182 | 166 Ų | 166 | 84% | 0.843 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 142.4 | 175.6 | -74.1 | -93.3 | 0 | 0 | 0 | 113.3 | ||
| 1166 | P | 27.3 | Very low | 23.8 | Very low | 124 Ų | 124 | 165.5 Ų | 165.5 | 81% | 0.805 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -97 | 137.5 | 162.9 | 34.2 | -25.5 | 0 | 0 | 0 | 111.9 | ||
| 1167 | S | 24.7 | Very low | 23.9 | Very low | 120 Ų | 120 | 166.5 Ų | 166.5 | 84% | 0.839 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 132.2 | -179.7 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1168 | C | 21.4 | Very low | 24 | Very low | 124 Ų | 124 | 160.5 Ų | 160.5 | 84% | 0.838 | 84% | 0.838 | S | S | * | * | trans | -134 | 131.5 | 164.4 | -80.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1169 | Q | 22.5 | Very low | 24.1 | Very low | 203 Ų | 203 | 157.6 Ų | 157.6 | 95% | 0.949 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 139.3 | -177.1 | -74.8 | 165.7 | -60.8 | 0 | 0 | 112.1 | ||
| 1170 | Y | 22.3 | Very low | 24.2 | Very low | 231 Ų | 231 | 154.5 Ų | 154.5 | 91% | 0.906 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 126.5 | 173.9 | -82.9 | -94.2 | 0 | 0 | 0 | 111.5 | ||
| 1171 | Q | 22 | Very low | 24.2 | Very low | 168 Ų | 168 | 155.5 Ų | 155.5 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 137.5 | 168 | -87.2 | 174.7 | -27 | 0 | 0 | 110.7 | ||
| 1172 | V | 21.7 | Very low | 24.3 | Very low | 133 Ų | 133 | 155.6 Ų | 155.6 | 81% | 0.806 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 124 | -179.2 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1173 | Y | 23.4 | Very low | 24.4 | Very low | 203 Ų | 203 | 158.9 Ų | 158.9 | 80% | 0.796 | 84% | 0.836 | S | S | * | * | trans | -111 | 125.6 | 170.4 | -84.7 | -84.8 | 0 | 0 | 0 | 110.8 | ||||
| 1174 | N | 25.7 | Very low | 24.6 | Very low | 154 Ų | 154 | 156.1 Ų | 156.1 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 136.1 | 174.5 | -74.3 | -33.7 | 0 | 0 | 0 | 110.8 | ||
| 1175 | I | 24.8 | Very low | 24.7 | Very low | 160 Ų | 160 | 156.7 Ų | 156.7 | 82% | 0.821 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -97 | 134.5 | 172.6 | -63.1 | 173.2 | 0 | 0 | 0 | 109.1 | ||
| 1176 | P | 28 | Very low | 24.8 | Very low | 119 Ų | 119 | 157.6 Ų | 157.6 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 143.1 | -168.3 | 5.3 | 15.2 | 0 | 0 | 0 | 112.9 | ||
| 1177 | Q | 26.8 | Very low | 24.7 | Very low | 197 Ų | 197 | 161.7 Ų | 161.7 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 125 | 176.3 | -69 | 172.3 | -27.1 | 0 | 0 | 111.5 | T1179 | Q1177-T1179 PolarHBondContact O-N 3.18Š|
| 1178 | S | 24.7 | Very low | 24.9 | Very low | 110 Ų | 110 | 162.9 Ų | 162.9 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | trans | -85.9 | 106.2 | 175.5 | 57 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1179 | T | 26 | Very low | 25.1 | Very low | 129 Ų | 129 | 168.5 Ų | 168.5 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | trans | 27.6 | 98.7 | 138.9 | 58.4 | 0 | 0 | 0 | 0 | 119.1 | Q1177 | Q1177-T1179 PolarHBondContact O-N 3.18Š| ||
| 1180 | S | 24.5 | Very low | 25.3 | Very low | 122 Ų | 122 | 167.3 Ų | 167.3 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | trans | -78.6 | 120.8 | 157.5 | 160 | 0 | 0 | 0 | 0 | 110 | ||||
| 1181 | V | 24.6 | Very low | 25.5 | Very low | 129 Ų | 129 | 160.4 Ų | 160.4 | 78% | 0.782 | 82% | 0.823 | S | S | * | * | trans | -77 | 124.2 | 178.6 | 174 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1182 | H | 24.7 | Very low | 25.6 | Very low | 175 Ų | 175 | 159.6 Ų | 159.6 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | 9.6 | 113.4 | 156.4 | -81.9 | -83.6 | 0 | 0 | 0 | 119.5 | ||||
| 1183 | R | 24.7 | Very low | 25.8 | Very low | 253 Ų | 253 | 158.9 Ų | 158.9 | 96% | 0.955 | 82% | 0.82 | S | S | * | * | trans | -131.3 | 136.6 | 132.8 | -96.3 | -167.5 | -177.4 | -160.7 | 1.9 | 109.8 | ||||
| 1184 | S | 28.2 | Very low | 25.9 | Very low | 113 Ų | 113 | 154.8 Ų | 154.8 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -63 | 145.7 | -156 | -38.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 1185 | D | 26.4 | Very low | 25.8 | Very low | 142 Ų | 142 | 157.7 Ų | 157.7 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | trans | -51.1 | 125.5 | 169.6 | -72 | -64 | 0 | 0 | 0 | 114.2 | ||||
| 1186 | E | 27.1 | Very low | 25.9 | Very low | 201 Ų | 201 | 154.8 Ų | 154.8 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -129.3 | 74.3 | 140.5 | -79.6 | -168.1 | 156.1 | 0 | 0 | 108.2 | ||||
| 1187 | R | 25 | Very low | 25.9 | Very low | 210 Ų | 210 | 154.1 Ų | 154.1 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -96.8 | 140.5 | 163.4 | -99.7 | -179 | 177.4 | 158.1 | 0.1 | 109.6 | ||||
| 1188 | N | 28.6 | Very low | 25.9 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | 86.6 | 89.2 | 160.5 | -57.5 | -23 | 0 | 0 | 0 | 117 | ||||
| 1189 | R | 26.5 | Very low | 25.9 | Very low | 241 Ų | 241 | 154.8 Ų | 154.8 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | -168.3 | 108.9 | 123.8 | -100.1 | 162.7 | -166.2 | -155.3 | 5.6 | 108 | |||||
| 1190 | L | 26.1 | Very low | 25.9 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | 178.3 | 133.6 | 120.5 | -87.8 | 163 | 0 | 0 | 0 | 108.3 | |||||
| 1191 | A | 26.9 | Very low | 25.9 | Very low | 85 Ų | 85 | 151.6 Ų | 151.6 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | -70.9 | 149.7 | -156.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1193 | A1191-V1193 PolarHBondContact O-N 2.94Å; A1191-V1193 VanDerWaalsContact O-N 3.1Å | ||
| 1192 | N | 23.4 | Very low | 26.1 | Very low | 152 Ų | 152 | 156 Ų | 156 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -27.1 | 108.5 | 152.6 | -81.2 | -18.8 | 0 | 0 | 0 | 112.6 | V1194 | N1192-V1194 HydrophobicContact CB-CG2 4.45Š| ||
| 1193 | V | 26.8 | Very low | 26.2 | Very low | 117 Ų | 117 | 152.7 Ų | 152.7 | 71% | 0.709 | 80% | 0.803 | S | S | * | * | trans | -102.2 | 89.1 | 153 | -179.3 | 0 | 0 | 0 | 0 | 106.3 | A1191 Y1195 | A1191-V1193 PolarHBondContact O-N 2.94Å; A1191-V1193 VanDerWaalsContact O-N 3.1Å; V1193-Y1195 HydrophobicContact CG1-CD2 3.66Å; V1193-Y1195 HydrophobicContact CG1-CE2 3.73Å; V1193-Y1195 PolarHBondContact O-N 3.24Å | ||
| 1194 | V | 23.9 | Very low | 26.2 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | trans | -73.8 | 104.3 | 164.7 | 172 | 0 | 0 | 0 | 0 | 106.5 | N1192 S1196 | N1192-V1194 HydrophobicContact CB-CG2 4.45Å; V1194-S1196 PolarHBondContact O-N 2.88Å | ||
| 1195 | Y | 25 | Very low | 26.1 | Very low | 215 Ų | 215 | 150 Ų | 150 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -80.1 | 102.5 | 159.9 | -97.3 | -82.1 | 0 | 0 | 0 | 108.1 | V1193 | V1193-Y1195 HydrophobicContact CG1-CD2 3.66Å; V1193-Y1195 HydrophobicContact CG1-CE2 3.73Å; V1193-Y1195 PolarHBondContact O-N 3.24Å | ||
| 1196 | S | 25.5 | Very low | 25.9 | Very low | 100 Ų | 100 | 148.5 Ų | 148.5 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -65.4 | 137.6 | 170.3 | 176 | 0 | 0 | 0 | 0 | 110.8 | V1194 | V1194-S1196 PolarHBondContact O-N 2.88Š| ||
| 1197 | S | 28.2 | Very low | 25.8 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -39.8 | 142.6 | 164.9 | -56.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1198 | Q | 26.5 | Very low | 25.8 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -169.3 | 109.4 | 138.1 | -106.8 | 159.8 | 8.1 | 0 | 0 | 112.5 | ||||
| 1199 | D | 25 | Very low | 25.6 | Very low | 146 Ų | 146 | 145 Ų | 145 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | 66.4 | 145.6 | 128.1 | -68.2 | -26.5 | 0 | 0 | 0 | 124.3 | |||||
| 1200 | S | 26.5 | Very low | 25.4 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | 78.7 | 118.1 | 169 | 74.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 1201 | G | 25 | Very low | 25.2 | Very low | 60 Ų | 60 | 141.4 Ų | 141.4 | 62% | 0.619 | 77% | 0.768 | S | S | * | * | cis | 128.6 | 86.9 | 22.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1202 | F | 27.3 | Very low | 25.1 | Very low | 221 Ų | 221 | 142.4 Ų | 142.4 | 97% | 0.969 | 77% | 0.765 | S | S | * | * | trans | -132.9 | 100.2 | 155.6 | -87 | -74.8 | 0 | 0 | 0 | 108.7 | ||||
| 1203 | S | 27.2 | Very low | 25 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -74.2 | 138.5 | 178.2 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1204 | N | 24.9 | Very low | 24.9 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | 44.5 | 101.7 | 139.9 | -64.5 | -22.3 | 0 | 0 | 0 | 118.9 | ||||
| 1205 | I | 26.2 | Very low | 25 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | -122.9 | 77.8 | 138.2 | -59.7 | 178.9 | 0 | 0 | 0 | 107.8 | ||||
| 1206 | T | 23.5 | Very low | 25.1 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | trans | -80.7 | 106.4 | 150.3 | 23.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1207 | H | 24.7 | Very low | 25.1 | Very low | 164 Ų | 164 | 147 Ų | 147 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -168.4 | 125.6 | 146.5 | -98.5 | -65.5 | 0 | 0 | 0 | 110 | ||||
| 1208 | F | 23.9 | Very low | 24.9 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | 70 | 94.3 | 164.2 | -79.9 | -93.8 | 0 | 0 | 0 | 119.1 | R1210 | F1208-R1210 HydrophobicContact CD1-CB 4.36Š| ||
| 1209 | N | 24 | Very low | 24.9 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -127.5 | 87 | 131.8 | -100.4 | -26.9 | 0 | 0 | 0 | 109 | ||||
| 1210 | R | 22.9 | Very low | 24.8 | Very low | 192 Ų | 192 | 149 Ų | 149 | 73% | 0.725 | 77% | 0.769 | S | S | * | * | trans | -60.4 | 127.1 | 164.5 | 172.3 | -176 | -72 | -145.7 | -1.7 | 107.6 | F1208 V1212 | F1208-R1210 HydrophobicContact CD1-CB 4.36Å; R1210-V1212 PolarHBondContact O-N 3.41Å | ||
| 1211 | L | 22.2 | Very low | 24.7 | Very low | 154 Ų | 154 | 150.6 Ų | 150.6 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | -11.8 | 95.5 | 160.3 | -71.7 | 155.7 | 0 | 0 | 0 | 112.9 | Y1213 | L1211-Y1213 PolarHBondContact O-N 2.79Å; L1211-Y1213 VanDerWaalsContact O-N 3.11Å | ||
| 1212 | V | 23.6 | Very low | 24.7 | Very low | 105 Ų | 105 | 153.2 Ų | 153.2 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -77.7 | 95.2 | 169 | 178.3 | 0 | 0 | 0 | 0 | 105.8 | R1210 | R1210-V1212 PolarHBondContact O-N 3.41Š| ||
| 1213 | Y | 22.5 | Very low | 24.6 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | -49.8 | 143.1 | 157.2 | -83.8 | -92 | 0 | 0 | 0 | 108.7 | L1211 N1215 | L1211-Y1213 PolarHBondContact O-N 2.79Å; L1211-Y1213 VanDerWaalsContact O-N 3.11Å; Y1213-N1215 PolarHBondContact O-N 3.36Å | ||
| 1214 | P | 25.5 | Very low | 24.6 | Very low | 114 Ų | 114 | 154.3 Ų | 154.3 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | trans | -57.3 | 112.6 | -167.3 | 24.1 | -32.4 | 0 | 0 | 0 | 109.2 | N1216 | P1214-N1216 PolarHBondContact O-N 3.35Å; P1214-N1216 VanDerWaalsContact O-N 3.14Å | ||
| 1215 | N | 24.4 | Very low | 24.7 | Very low | 135 Ų | 135 | 151.1 Ų | 151.1 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -57.4 | 121.1 | 175.1 | -97.4 | -23.9 | 0 | 0 | 0 | 107.8 | Y1213 F1217 | Y1213-N1215 PolarHBondContact O-N 3.36Å; N1215-F1217 PolarHBondContact O-N 2.97Å | ||
| 1216 | N | 26.8 | Very low | 24.9 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | -39.9 | 107.7 | 161.4 | -72.5 | -31.2 | 0 | 0 | 0 | 108.2 | P1214 S1218 | P1214-N1216 PolarHBondContact O-N 3.35Å; P1214-N1216 VanDerWaalsContact O-N 3.14Å; N1216-S1218 VanDerWaalsContact C-N 3.31Å; N1216-S1218 PolarHBondContact O-N 2.93Å | ||
| 1217 | F | 25.3 | Very low | 25 | Very low | 196 Ų | 196 | 149 Ų | 149 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -58.3 | 105.5 | 165.1 | -105.1 | -93.8 | 0 | 0 | 0 | 106.1 | N1215 Q1219 | N1215-F1217 PolarHBondContact O-N 2.97Å; F1217-Q1219 PolarHBondContact O-N 3.03Å | ||
| 1218 | S | 25.4 | Very low | 25.2 | Very low | 89 Ų | 89 | 151.1 Ų | 151.1 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | trans | -51.4 | 110.4 | 169.4 | 42.9 | 0 | 0 | 0 | 0 | 107.8 | N1216 Y1220 | N1216-S1218 VanDerWaalsContact C-N 3.31Å; N1216-S1218 PolarHBondContact O-N 2.93Å; S1218-Y1220 PolarHBondContact O-N 3.17Å | ||
| 1219 | Q | 25.5 | Very low | 25.2 | Very low | 179 Ų | 179 | 154.8 Ų | 154.8 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -28.8 | 90.9 | 165 | -164.3 | 168.3 | 5.1 | 0 | 0 | 111.4 | F1217 H1221 | F1217-Q1219 PolarHBondContact O-N 3.03Å; Q1219-H1221 VanDerWaalsContact C-N 3.32Å; Q1219-H1221 PolarHBondContact O-N 2.83Å | ||
| 1220 | Y | 23.5 | Very low | 25.3 | Very low | 200 Ų | 200 | 152.5 Ų | 152.5 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | -66.8 | 103.8 | 158 | -83.1 | -82.9 | 0 | 0 | 0 | 105.6 | S1218 V1222 | S1218-Y1220 PolarHBondContact O-N 3.17Å; Y1220-V1222 PolarHBondContact O-N 2.9Å | ||
| 1221 | H | 24.7 | Very low | 25.6 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -66.4 | 79.9 | 173.7 | -171.8 | 32.2 | 0 | 0 | 0 | 108.5 | Q1219 | Q1219-H1221 VanDerWaalsContact C-N 3.32Å; Q1219-H1221 PolarHBondContact O-N 2.83Å | ||
| 1222 | V | 24.6 | Very low | 25.8 | Very low | 114 Ų | 114 | 152 Ų | 152 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -84.8 | 116.5 | 158.6 | -179.2 | 0 | 0 | 0 | 0 | 104.7 | Y1220 E1224 | Y1220-V1222 PolarHBondContact O-N 2.9Å; V1222-E1224 VanDerWaalsContact C-N 3.27Å; V1222-E1224 PolarHBondContact O-N 3.36Å | ||
| 1223 | Q | 25.1 | Very low | 25.9 | Very low | 169 Ų | 169 | 151.3 Ų | 151.3 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -58.9 | 91.2 | 173.5 | -87.7 | 168.4 | -34.3 | 0 | 0 | 108.9 | G1225 | Q1223-G1225 PolarHBondContact O-N 3.14Å; Q1223-G1225 VanDerWaalsContact O-N 3.08Å | ||
| 1224 | E | 26.7 | Very low | 26.2 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -68.4 | 102.2 | 163.2 | -80.5 | -176.9 | 164.4 | 0 | 0 | 107.5 | V1222 T1226 | V1222-E1224 VanDerWaalsContact C-N 3.27Å; V1222-E1224 PolarHBondContact O-N 3.36Å; E1224-T1226 PolarHBondContact O-N 3Å; E1224-T1226 VanDerWaalsContact O-N 3.15Å | ||
| 1225 | G | 28.3 | Very low | 26.3 | Very low | 70 Ų | 70 | 146.8 Ų | 146.8 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -51.8 | 118.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q1223 S1227 | Q1223-G1225 PolarHBondContact O-N 3.14Å; Q1223-G1225 VanDerWaalsContact O-N 3.08Å; G1225-S1227 PolarHBondContact O-N 3.27Å | ||
| 1226 | T | 29.2 | Very low | 26.3 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | trans | -63 | 93 | 177.7 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | E1224 R1228 | E1224-T1226 PolarHBondContact O-N 3Å; E1224-T1226 VanDerWaalsContact O-N 3.15Å; T1226-R1228 PolarHBondContact O-N 2.95Å | ||
| 1227 | S | 26.8 | Very low | 26.2 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -71.3 | 84.3 | 163.5 | -179 | 0 | 0 | 0 | 0 | 108.2 | G1225 Y1229 | G1225-S1227 PolarHBondContact O-N 3.27Å; S1227-Y1229 PolarHBondContact O-N 3.34Å | ||
| 1228 | R | 27.7 | Very low | 26.3 | Very low | 210 Ų | 210 | 145.5 Ų | 145.5 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -67.6 | 103.3 | 168.6 | -64.6 | -178.8 | -171.9 | -172.3 | 3.1 | 107.9 | T1226 | T1226-R1228 PolarHBondContact O-N 2.95Š| ||
| 1229 | Y | 25.3 | Very low | 26.4 | Very low | 230 Ų | 230 | 151.4 Ų | 151.4 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -168.8 | 97.9 | 150.7 | -97.6 | -71.1 | 0 | 0 | 0 | 109.2 | S1227 | S1227-Y1229 PolarHBondContact O-N 3.34Š| ||
| 1230 | S | 25.2 | Very low | 26.5 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -151 | 109.4 | 150.3 | -168.9 | 0 | 0 | 0 | 0 | 107.7 | R1232 | S1230-R1232 PolarHBondContact O-N 3.27Š| ||
| 1231 | P | 29 | Very low | 26.7 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 120.2 | -172.6 | 28 | -29.4 | 0 | 0 | 0 | 110 | P1233 | P1231-P1233 WeakPolarHBondContact O-CD 3.47Š|
| 1232 | R | 26.9 | Very low | 27 | Very low | 218 Ų | 218 | 145.9 Ų | 145.9 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 117.6 | 172.1 | -174.6 | 179.1 | -177.2 | -151.8 | -0.7 | 108.7 | S1230 | S1230-R1232 PolarHBondContact O-N 3.27Š|
| 1233 | P | 26.3 | Very low | 27 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 59% | 0.591 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 147.9 | 173.9 | 28.9 | -30.6 | 0 | 0 | 0 | 109.9 | P1231 S1235 | P1231-P1233 WeakPolarHBondContact O-CD 3.47Å; P1233-S1235 PolarHBondContact O-N 2.91Å; P1233-S1235 VanDerWaalsContact O-N 3.07Å |
| 1234 | P | 27.7 | Very low | 27.1 | Very low | 127 Ų | 127 | 147 Ų | 147 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -78 | 101.9 | -168.8 | 16.5 | -5.2 | 0 | 0 | 0 | 110.3 | ||||
| 1235 | S | 28.1 | Very low | 27 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | -87.4 | 107.2 | 162.7 | 60.1 | 0 | 0 | 0 | 0 | 108.5 | P1233 | P1233-S1235 PolarHBondContact O-N 2.91Å; P1233-S1235 VanDerWaalsContact O-N 3.07Å | ||
| 1236 | H | 24.5 | Very low | 26.9 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -51.7 | 144.3 | 162.3 | -83.7 | -105.1 | 0 | 0 | 0 | 110 | ||||
| 1237 | H | 25.1 | Very low | 26.8 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | 86.7 | 91 | 178.2 | -60.4 | -37.8 | 0 | 0 | 0 | 117.8 | ||||
| 1238 | S | 25.7 | Very low | 26.6 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -142.8 | 108.5 | 141 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1239 | Y | 27.9 | Very low | 26.4 | Very low | 212 Ų | 212 | 145.7 Ų | 145.7 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -89.4 | 114 | 165 | -100.6 | -91.2 | 0 | 0 | 0 | 109 | ||||
| 1240 | F | 27.5 | Very low | 26.4 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | 45.2 | 102.5 | 148.1 | -83.9 | -88 | 0 | 0 | 0 | 120.8 | K1242 | F1240-K1242 HydrophobicContact CD1-CG 3.88Å; F1240-K1242 HydrophobicContact CE1-CG 4.21Å | ||
| 1241 | G | 28.2 | Very low | 26.3 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -132.7 | 100.1 | 143.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | A1243 | G1241-A1243 PolarHBondContact O-N 3.31Š| ||
| 1242 | K | 30.5 | Very low | 26.2 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | trans | -57.4 | 130.6 | -169.4 | -68.6 | 178.2 | 175.8 | 176.6 | 0 | 112.9 | F1240 K1244 | F1240-K1242 HydrophobicContact CD1-CG 3.88Å; F1240-K1242 HydrophobicContact CE1-CG 4.21Å; K1242-K1244 PolarHBondContact O-N 2.69Å | ||
| 1243 | A | 24.8 | Very low | 26.1 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -65.6 | 122.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G1241 S1245 | G1241-A1243 PolarHBondContact O-N 3.31Å; A1243-S1245 PolarHBondContact O-N 3.21Å | ||
| 1244 | K | 27 | Very low | 26 | Very low | 208 Ų | 208 | 137 Ų | 137 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | -89.4 | 95.7 | 164.7 | -76.8 | -176.8 | 174.7 | -176.4 | 0 | 107.9 | K1242 | K1242-K1244 PolarHBondContact O-N 2.69Š| ||
| 1245 | S | 25.8 | Very low | 25.9 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -64 | 136.3 | 158.7 | 49.8 | 0 | 0 | 0 | 0 | 108.7 | A1243 | A1243-S1245 PolarHBondContact O-N 3.21Š| ||
| 1246 | G | 25.8 | Very low | 25.7 | Very low | 65 Ų | 65 | 141.6 Ų | 141.6 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | -61.7 | 156.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1247 | I | 27.7 | Very low | 25.9 | Very low | 176 Ų | 176 | 142.9 Ų | 142.9 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | -170 | 144.1 | 128.7 | -87.8 | 148.1 | 0 | 0 | 0 | 106.7 | |||||
| 1248 | Y | 22.4 | Very low | 25.8 | Very low | 211 Ų | 211 | 142.6 Ų | 142.6 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -58.6 | 153.5 | -174.1 | -84.9 | -103.2 | 0 | 0 | 0 | 115.8 | ||||
| 1249 | S | 22.8 | Very low | 26 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | 84.9 | 123.9 | 141.4 | -69.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1250 | A | 26 | Very low | 25.8 | Very low | 92 Ų | 92 | 136.9 Ų | 136.9 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | 78.7 | 97.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1251 | D | 22.3 | Very low | 25.9 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -54.4 | 124.5 | 156.5 | -60.8 | -58.3 | 0 | 0 | 0 | 112 | ||||
| 1252 | V | 27.9 | Very low | 25.6 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -138 | 105.3 | 155.6 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1253 | S | 23.9 | Very low | 25.4 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 21.7 | 117.8 | 142.1 | -65.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1254 | A | 25 | Very low | 25.3 | Very low | 83 Ų | 83 | 142.4 Ų | 142.4 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | 72.6 | 142.8 | 109.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1255 | N | 25.3 | Very low | 25.1 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | 92.4 | 98.4 | 161.5 | -56 | -17.8 | 0 | 0 | 0 | 115.3 | ||||
| 1256 | Q | 24.6 | Very low | 25.1 | Very low | 163 Ų | 163 | 139 Ų | 139 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | 73.6 | 105.4 | 71.1 | -170.1 | 176.6 | 64.3 | 0 | 0 | 112.2 | |||||
| 1257 | E | 27.8 | Very low | 24.9 | Very low | 202 Ų | 202 | 140.2 Ų | 140.2 | 94% | 0.944 | 81% | 0.806 | S | S | * | * | trans | -153 | 139.8 | 149.7 | -113.5 | 171.2 | -162.4 | 0 | 0 | 111.1 | ||||
| 1258 | Q | 24 | Very low | 24.8 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -100.5 | 155.7 | -163.5 | -68.5 | 165.7 | -28.1 | 0 | 0 | 112.5 | ||||
| 1259 | S | 28.1 | Very low | 24.9 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 155.9 | 100.9 | 135.7 | 46.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1260 | A | 24.5 | Very low | 25 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | 69.8 | 112.9 | 81.1 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 1261 | I | 29.5 | Very low | 25.1 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 89% | 0.892 | 82% | 0.818 | S | S | * | * | -169.9 | 131.4 | 118.6 | -86.6 | 151.4 | 0 | 0 | 0 | 111.9 | |||||
| 1262 | Q | 22 | Very low | 25.3 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -52.1 | 146.3 | 176.3 | -129 | 94.1 | 7 | 0 | 0 | 118.2 | ||||
| 1263 | Q | 25.4 | Very low | 25.1 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | 166.2 | 100.2 | 121 | -91.3 | 177.8 | 16.9 | 0 | 0 | 109.8 | |||||
| 1264 | S | 22.7 | Very low | 25.4 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | 80.8 | 86.8 | 89.4 | 69.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1265 | A | 24.5 | Very low | 25.7 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | trans | -148 | 140.9 | 145.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1266 | V | 24.4 | Very low | 25.9 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | trans | -103.1 | 123.2 | -154.2 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1267 | S | 22.8 | Very low | 26.2 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 82% | 0.821 | S | S | * | * | 161.6 | 137.6 | 127.3 | -70.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1268 | H | 25.5 | Very low | 27 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 82% | 0.819 | 81% | 0.813 | S | S | * | * | trans | 78.8 | 73 | 161.7 | -54.1 | -49.3 | 0 | 0 | 0 | 119.4 | M1270 | H1268-M1270 PolarHBondContact O-N 3.46Š| ||
| 1269 | T | 24.7 | Very low | 27.7 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -76.7 | 103.5 | 147.7 | 35.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1270 | M | 24 | Very low | 28.4 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -73.4 | 125 | 155.1 | -79.7 | -127.5 | 163.6 | 0 | 0 | 108.9 | H1268 A1272 | H1268-M1270 PolarHBondContact O-N 3.46Å; M1270-A1272 PolarHBondContact O-N 2.88Å | ||
| 1271 | N | 28.1 | Very low | 29.9 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | trans | -58.6 | 93.9 | 166.3 | -89.4 | -16.5 | 0 | 0 | 0 | 109.8 | ||||
| 1272 | A | 26.6 | Very low | 31.1 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -104.2 | 80.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | M1270 | M1270-A1272 PolarHBondContact O-N 2.88Š| ||
| 1273 | Q | 24.8 | Very low | 33.1 | Very low | 190 Ų | 190 | 132.9 Ų | 132.9 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -129.5 | 109.4 | 162.5 | -82.7 | -174.3 | -12.3 | 0 | 0 | 110.2 | ||||
| 1274 | A | 29.9 | Very low | 35.3 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | 61.5 | 69.9 | 144.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1275 | A | 31.1 | Very low | 37.6 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -98.3 | 72.4 | 145.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | G1277 | A1275-G1277 PolarHBondContact O-N 3.44Š| ||
| 1276 | L | 28.2 | Very low | 40 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | trans | -68 | 79.3 | 161.3 | -80.4 | 159 | 0 | 0 | 0 | 107.6 | ||||
| 1277 | G | 32.3 | Very low | 42.5 | Very low | 58 Ų | 58 | 125.7 Ų | 125.7 | 60% | 0.598 | 70% | 0.696 | S | S | * | * | trans | -60.9 | 139.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | A1275 K1279 | A1275-G1277 PolarHBondContact O-N 3.44Å; G1277-K1279 PolarHBondContact O-N 3.4Å | ||
| 1278 | P | 43.3 | Very low | 45.2 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | trans | -64.8 | 135.7 | -166.8 | 28.2 | -33 | 0 | 0 | 0 | 109.5 | Q1280 | P1278-Q1280 PolarHBondContact O-N 2.9Š| ||
| 1279 | K | 39.7 | Very low | 47.9 | Very low | 205 Ų | 205 | 116.7 Ų | 116.7 | 89% | 0.891 | 65% | 0.65 | S | S | * | * | trans | -50.2 | 98.8 | 174.2 | -69.5 | 177.6 | 177.5 | 176.4 | 0 | 108.8 | G1277 T1281 | G1277-K1279 PolarHBondContact O-N 3.4Å; K1279-T1281 PolarHBondContact O-N 3.34Å; K1279-T1281 VanDerWaalsContact O-N 3.13Å | ||
| 1280 | Q | 43.3 | Very low | 50.6 | Low | 144 Ų | 144 | 115.2 Ų | 115.2 | 67% | 0.673 | 63% | 0.632 | S | S | * | * | trans | -56.1 | 121.8 | 167.1 | -80.9 | -178.4 | -8.1 | 0 | 0 | 106.6 | P1278 D1284 | P1278-Q1280 PolarHBondContact O-N 2.9Å; Q1280-D1284 HydrophobicContact CB-CB 4.34Å | ||
| 1281 | T | 55.9 | Low | 53.4 | Low | 73 Ų | 73 | 111 Ų | 111 | 45% | 0.448 | 61% | 0.613 | S | S | . | * | trans | -62.6 | 154.1 | 176.2 | 60.2 | 0 | 0 | 0 | 0 | 109 | K1279 E1283 D1284 R1285 | K1279-T1281 PolarHBondContact O-N 3.34Å; K1279-T1281 VanDerWaalsContact O-N 3.13Å; T1281-E1283 PolarHBondContact O-N 3.01Å; T1281-E1283 VanDerWaalsContact O-N 3.08Å; T1281-D1284 PolarHBondContact N-OD2 3.16Å; T1281-D1284 VanDerWaalsContact N-OD2 3.14Å; T1281-D1284 PolarHBondContact O-N 3.48Å; T1281-D1284 PolarHBondContact OG1-N 3.35Å; T1281-D1284 PolarHBondContact OG1-OD2 3.05Å; T1281-R1285 PolarHBondContact O-N 3.5Å | ||
| 1282 | L | 55.1 | Low | 56 | Low | 121 Ų | 121 | 106.5 Ų | 106.5 | 63% | 0.634 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -51.3 | -34.6 | 176.5 | -171.7 | 86.4 | 0 | 0 | 0 | 111.2 | Q1286 | L1282-Q1286 PolarHBondContact O-N 3.24Å; L1282-Q1286 VanDerWaalsContact O-N 3.13Å |
| 1283 | E | 63.2 | Low | 58.7 | Low | 123 Ų | 123 | 102 Ų | 102 | 58% | 0.575 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.3 | -44.2 | 174.8 | -66.8 | -171.3 | -176 | 0 | 0 | 113.3 | T1281 R1285 Q1286 K1287 | T1281-E1283 PolarHBondContact O-N 3.01Å; T1281-E1283 VanDerWaalsContact O-N 3.08Å; E1283-R1285 VanDerWaalsContact C-N 3.26Å; E1283-R1285 PolarHBondContact O-N 2.92Å; E1283-Q1286 PolarHBondContact O-N 3.42Å; E1283-K1287 WeakPolarHBondContact O-CG 3.4Å; E1283-K1287 PolarHBondContact O-N 2.9Å; E1283-K1287 IonicContact OE2-NZ 3.25Å |
| 1284 | D | 71 | Confident | 61.4 | Low | 69 Ų | 69 | 94.9 Ų | 94.9 | 37% | 0.369 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 178.5 | -62.3 | -37.6 | 0 | 0 | 0 | 111.1 | Q1280 T1281 K1287 S1288 | Q1280-D1284 HydrophobicContact CB-CB 4.34Å; T1281-D1284 PolarHBondContact N-OD2 3.16Å; T1281-D1284 VanDerWaalsContact N-OD2 3.14Å; T1281-D1284 PolarHBondContact O-N 3.48Å; T1281-D1284 PolarHBondContact OG1-N 3.35Å; T1281-D1284 PolarHBondContact OG1-OD2 3.05Å; D1284-K1287 PolarHBondContact O-N 3.46Å; D1284-S1288 WeakPolarHBondContact O-CB 3.42Å; D1284-S1288 PolarHBondContact O-N 2.93Å |
| 1285 | R | 72.1 | Confident | 63.9 | Low | 114 Ų | 114 | 94.2 Ų | 94.2 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 175.1 | -165.2 | 174.1 | 73.8 | 110.3 | -10.7 | 112 | T1281 E1283 S1288 Q1289 | T1281-R1285 PolarHBondContact O-N 3.5Å; E1283-R1285 VanDerWaalsContact C-N 3.26Å; E1283-R1285 PolarHBondContact O-N 2.92Å; R1285-S1288 PolarHBondContact O-N 3.4Å; R1285-Q1289 WeakPolarHBondContact O-CG 3.09Å; R1285-Q1289 PolarHBondContact O-N 2.64Å |
| 1286 | Q | 73.3 | Confident | 66.3 | Low | 84 Ų | 84 | 89.5 Ų | 89.5 | 39% | 0.393 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 174.9 | -77.6 | -180 | -15.5 | 0 | 0 | 112.2 | L1282 E1283 Q1289 K1290 | L1282-Q1286 PolarHBondContact O-N 3.24Å; L1282-Q1286 VanDerWaalsContact O-N 3.13Å; E1283-Q1286 PolarHBondContact O-N 3.42Å; Q1286-Q1289 PolarHBondContact O-N 2.99Å; Q1286-K1290 WeakPolarHBondContact O-CB 3.21Å; Q1286-K1290 PolarHBondContact O-N 2.95Å |
| 1287 | K | 77.9 | Confident | 68.6 | Low | 116 Ų | 116 | 81.9 Ų | 81.9 | 50% | 0.504 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 174.6 | -73.1 | 170.9 | -171.3 | 160.2 | 0 | 111.2 | E1283 D1284 K1290 L1291 | E1283-K1287 WeakPolarHBondContact O-CG 3.4Å; E1283-K1287 PolarHBondContact O-N 2.9Å; E1283-K1287 IonicContact OE2-NZ 3.25Å; D1284-K1287 PolarHBondContact O-N 3.46Å; K1287-K1290 PolarHBondContact O-N 3.15Å; K1287-L1291 VanDerWaalsContact O-CG 3.3Å; K1287-L1291 WeakPolarHBondContact O-CG 3.48Å; K1287-L1291 PolarHBondContact O-N 3.45Å |
| 1288 | S | 79.6 | Confident | 70.7 | Confident | 58 Ų | 58 | 83.4 Ų | 83.4 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 175.6 | -174 | 0 | 0 | 0 | 0 | 112.2 | D1284 R1285 K1290 L1291 L1292 | D1284-S1288 WeakPolarHBondContact O-CB 3.42Å; D1284-S1288 PolarHBondContact O-N 2.93Å; R1285-S1288 PolarHBondContact O-N 3.4Å; S1288-K1290 VanDerWaalsContact C-N 3.34Å; S1288-K1290 PolarHBondContact O-N 3.49Å; S1288-L1291 PolarHBondContact O-N 3.28Å; S1288-L1292 WeakPolarHBondContact O-CG 3.37Å; S1288-L1292 PolarHBondContact O-N 3.4Å |
| 1289 | Q | 82.2 | Confident | 72.4 | Confident | 21 Ų | 21 | 80.9 Ų | 80.9 | 10% | 0.098 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 174.5 | -73.6 | -177.4 | -22.6 | 0 | 0 | 112.6 | R1285 Q1286 L1293 S1313 L1317 | R1285-Q1289 WeakPolarHBondContact O-CG 3.09Å; R1285-Q1289 PolarHBondContact O-N 2.64Å; Q1286-Q1289 PolarHBondContact O-N 2.99Å; Q1289-L1293 PolarHBondContact O-N 3.03Å; Q1289-S1313 WeakPolarHBondContact O-CB 3.43Å; Q1289-L1317 HydrophobicContact CB-CD1 3.83Å |
| 1290 | K | 81.7 | Confident | 74.4 | Confident | 114 Ų | 114 | 73.7 Ų | 73.7 | 50% | 0.496 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 176 | -170.6 | -178.8 | -179.2 | -172.9 | 0 | 111.5 | Q1286 K1287 S1288 L1293 E1294 L1317 | Q1286-K1290 WeakPolarHBondContact O-CB 3.21Å; Q1286-K1290 PolarHBondContact O-N 2.95Å; K1287-K1290 PolarHBondContact O-N 3.15Å; S1288-K1290 VanDerWaalsContact C-N 3.34Å; S1288-K1290 PolarHBondContact O-N 3.49Å; K1290-L1293 PolarHBondContact O-N 3.38Å; K1290-E1294 WeakPolarHBondContact CE-OE1 3.23Å; K1290-E1294 WeakPolarHBondContact O-CG 3.35Å; K1290-E1294 PolarHBondContact O-N 3Å; K1290-L1317 HydrophobicContact CB-CD1 4.05Å |
| 1291 | L | 81.8 | Confident | 76.2 | Confident | 91 Ų | 91 | 69.8 Ų | 69.8 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 176.7 | -72.8 | 169.1 | 0 | 0 | 0 | 111.6 | K1287 S1288 L1293 E1294 D1295 | K1287-L1291 VanDerWaalsContact O-CG 3.3Å; K1287-L1291 WeakPolarHBondContact O-CG 3.48Å; K1287-L1291 PolarHBondContact O-N 3.45Å; S1288-L1291 PolarHBondContact O-N 3.28Å; L1291-L1293 VanDerWaalsContact C-N 3.27Å; L1291-L1293 PolarHBondContact O-N 2.88Å; L1291-E1294 PolarHBondContact O-N 3.48Å; L1291-D1295 VanDerWaalsContact O-CB 3.3Å; L1291-D1295 WeakPolarHBondContact O-CB 3.41Å; L1291-D1295 PolarHBondContact O-N 2.95Å |
| 1292 | L | 83.4 | Confident | 77.6 | Confident | 77 Ų | 77 | 68.7 Ų | 68.7 | 40% | 0.403 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.5 | -42.7 | 176 | -76.2 | 169 | 0 | 0 | 0 | 112.3 | S1288 A1296 | S1288-L1292 WeakPolarHBondContact O-CG 3.37Å; S1288-L1292 PolarHBondContact O-N 3.4Å; L1292-A1296 WeakPolarHBondContact O-CB 3.46Å; L1292-A1296 PolarHBondContact O-N 3.46Å; L1292-A1296 VanDerWaalsContact O-N 3.08Å |
| 1293 | L | 83.8 | Confident | 79.3 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72 | -42.6 | 179.4 | -174.7 | 57.3 | 0 | 0 | 0 | 112.3 | Q1289 K1290 L1291 D1295 A1296 I1297 W1306 I1310 W1314 W1318 | Q1289-L1293 PolarHBondContact O-N 3.03Å; K1290-L1293 PolarHBondContact O-N 3.38Å; L1291-L1293 VanDerWaalsContact C-N 3.27Å; L1291-L1293 PolarHBondContact O-N 2.88Å; L1293-D1295 VanDerWaalsContact C-N 3.32Å; L1293-D1295 PolarHBondContact O-N 3Å; L1293-A1296 PolarHBondContact O-N 3.19Å; L1293-I1297 HydrophobicContact CD1-CD1 4.48Å; L1293-I1297 HydrophobicContact CG-CD1 4.48Å; L1293-I1297 WeakPolarHBondContact O-CG1 3.38Å; L1293-I1297 PolarHBondContact O-N 3.49Å; L1293-W1306 HydrophobicContact CD1-CH2 3.78Å; L1293-W1306 HydrophobicContact CD1-CZ3 3.72Å; L1293-I1310 HydrophobicContact CD1-CG2 4.12Å; L1293-W1314 HydrophobicContact CD1-CB 3.77Å; L1293-W1314 HydrophobicContact CD1-CG 4.45Å; L1293-W1314 HydrophobicContact CD2-CB 4.13Å; L1293-W1318 HydrophobicContact CD2-CD2 3.54Å; L1293-W1318 VanDerWaalsContact CD2-CE2 3.41Å; L1293-W1318 HydrophobicContact CD2-CE3 4.24Å; L1293-W1318 HydrophobicContact CD2-CG 3.68Å; L1293-W1318 HydrophobicContact CD2-CZ2 4.06Å; L1293-W1318 HydrophobicContact CG-CD2 4.39Å; L1293-W1318 HydrophobicContact CG-CZ2 4.25Å |
| 1294 | E | 81.3 | Confident | 80.5 | Confident | 40 Ų | 40 | 60.3 Ų | 60.3 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 174.2 | -75.1 | -176 | -159.4 | 0 | 0 | 111.8 | K1290 L1291 I1297 R1298 L1396 | K1290-E1294 WeakPolarHBondContact CE-OE1 3.23Å; K1290-E1294 WeakPolarHBondContact O-CG 3.35Å; K1290-E1294 PolarHBondContact O-N 3Å; L1291-E1294 PolarHBondContact O-N 3.48Å; E1294-I1297 PolarHBondContact O-N 3.31Å; E1294-R1298 WeakPolarHBondContact O-CB 3.47Å; E1294-R1298 WeakPolarHBondContact O-CG 3.5Å; E1294-R1298 PolarHBondContact O-N 2.91Å; E1294-R1298 IonicContact OE2-CZ 2.82Å; E1294-R1298 IonicContact OE2-NH2 3.43Å; E1294-R1298 PolarHBondContact OE2-NH2 3.32Å; E1294-L1396 HydrophobicContact CG-CD1 4.48Å |
| 1295 | D | 80.9 | Confident | 81.3 | Confident | 79 Ų | 79 | 59.8 Ų | 59.8 | 42% | 0.422 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69 | -37.3 | 179.4 | -71.8 | -20 | 0 | 0 | 0 | 111.9 | L1291 L1293 I1297 R1298 S1299 | L1291-D1295 VanDerWaalsContact O-CB 3.3Å; L1291-D1295 WeakPolarHBondContact O-CB 3.41Å; L1291-D1295 PolarHBondContact O-N 2.95Å; L1293-D1295 VanDerWaalsContact C-N 3.32Å; L1293-D1295 PolarHBondContact O-N 3Å; D1295-I1297 VanDerWaalsContact C-N 3.33Å; D1295-I1297 PolarHBondContact O-N 2.96Å; D1295-R1298 PolarHBondContact O-N 3.12Å; D1295-R1298 IonicContact OD1-NH1 2.66Å; D1295-S1299 WeakPolarHBondContact O-CB 3.42Å; D1295-S1299 PolarHBondContact O-N 3.17Å; D1295-S1299 PolarHBondContact O-OG 2.86Å |
| 1296 | A | 81.4 | Confident | 82.3 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1292 L1293 S1299 L1301 I1310 | L1292-A1296 WeakPolarHBondContact O-CB 3.46Å; L1292-A1296 PolarHBondContact O-N 3.46Å; L1292-A1296 VanDerWaalsContact O-N 3.08Å; L1293-A1296 PolarHBondContact O-N 3.19Å; A1296-S1299 WeakPolarHBondContact CA-OG 3.28Å; A1296-S1299 PolarHBondContact O-OG 2.96Å; A1296-L1301 PolarHBondContact O-N 2.87Å; A1296-I1310 HydrophobicContact CB-CD1 3.97Å; A1296-I1310 HydrophobicContact CB-CG1 4.47Å; A1296-I1310 HydrophobicContact CB-CG2 3.76Å |
| 1297 | I | 78.1 | Confident | 83.1 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75 | -40 | 177.8 | -66.7 | 170.3 | 0 | 0 | 0 | 111 | L1293 E1294 D1295 S1299 N1300 W1306 W1318 F1372 L1376 L1396 | L1293-I1297 HydrophobicContact CD1-CD1 4.48Å; L1293-I1297 HydrophobicContact CG-CD1 4.48Å; L1293-I1297 WeakPolarHBondContact O-CG1 3.38Å; L1293-I1297 PolarHBondContact O-N 3.49Å; E1294-I1297 PolarHBondContact O-N 3.31Å; D1295-I1297 VanDerWaalsContact C-N 3.33Å; D1295-I1297 PolarHBondContact O-N 2.96Å; I1297-S1299 PolarHBondContact O-N 2.9Å; I1297-N1300 PolarHBondContact O-N 3.15Å; I1297-N1300 PolarHBondContact O-OD1 3.13Å; I1297-W1306 HydrophobicContact CD1-CH2 4.42Å; I1297-W1306 HydrophobicContact CG1-CH2 4.22Å; I1297-W1306 HydrophobicContact CG1-CZ2 3.95Å; I1297-W1318 HydrophobicContact CD1-CE3 4.43Å; I1297-W1318 HydrophobicContact CD1-CH2 3.06Å; I1297-W1318 HydrophobicContact CD1-CZ2 3.97Å; I1297-W1318 HydrophobicContact CD1-CZ3 3.33Å; I1297-F1372 HydrophobicContact CD1-CE1 4.45Å; I1297-F1372 HydrophobicContact CG2-CE1 3.92Å; I1297-F1372 HydrophobicContact CG2-CZ 4.24Å; I1297-L1376 HydrophobicContact CG2-CD1 4.17Å; I1297-L1396 HydrophobicContact CB-CD1 4.39Å; I1297-L1396 HydrophobicContact CG2-CD1 3.96Å; I1297-L1396 HydrophobicContact CG2-CG 4.27Å |
| 1298 | R | 75.3 | Confident | 83.7 | Confident | 89 Ų | 89 | 48.4 Ų | 48.4 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.1 | -31.5 | 175.9 | -75.9 | 169.1 | -172.8 | -174.8 | 7 | 112.8 | E1294 D1295 N1300 | E1294-R1298 WeakPolarHBondContact O-CB 3.47Å; E1294-R1298 WeakPolarHBondContact O-CG 3.5Å; E1294-R1298 PolarHBondContact O-N 2.91Å; E1294-R1298 IonicContact OE2-CZ 2.82Å; E1294-R1298 IonicContact OE2-NH2 3.43Å; E1294-R1298 PolarHBondContact OE2-NH2 3.32Å; D1295-R1298 PolarHBondContact O-N 3.12Å; D1295-R1298 IonicContact OD1-NH1 2.66Å; R1298-N1300 PolarHBondContact O-N 2.79Å |
| 1299 | S | 80.3 | Confident | 84.2 | Confident | 67 Ų | 67 | 49.2 Ų | 49.2 | 47% | 0.469 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | 3 | 175.4 | 49.3 | 0 | 0 | 0 | 0 | 113.6 | D1295 A1296 I1297 L1301 | D1295-S1299 WeakPolarHBondContact O-CB 3.42Å; D1295-S1299 PolarHBondContact O-N 3.17Å; D1295-S1299 PolarHBondContact O-OG 2.86Å; A1296-S1299 WeakPolarHBondContact CA-OG 3.28Å; A1296-S1299 PolarHBondContact O-OG 2.96Å; I1297-S1299 PolarHBondContact O-N 2.9Å; S1299-L1301 PolarHBondContact O-N 3.28Å; S1299-L1301 VanDerWaalsContact O-N 3.15Å; S1299-L1301 WeakPolarHBondContact OG-CD1 3.44Å |
| 1300 | N | 80.5 | Confident | 84.6 | Confident | 55 Ų | 55 | 49.3 Ų | 49.3 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 33.1 | -177.3 | -65 | -20.4 | 0 | 0 | 0 | 112.6 | I1297 R1298 L1376 | I1297-N1300 PolarHBondContact O-N 3.15Å; I1297-N1300 PolarHBondContact O-OD1 3.13Å; R1298-N1300 PolarHBondContact O-N 2.79Å; N1300-L1376 HydrophobicContact CB-CB 4.47Å |
| 1301 | L | 82.6 | Confident | 85.1 | Confident | 61 Ų | 61 | 44.1 Ų | 44.1 | 32% | 0.319 | 25% | 0.252 | S | S | . | . | trans | -67.3 | 125.1 | 177.5 | -110.7 | 74.4 | 0 | 0 | 0 | 109.2 | A1296 S1299 S1305 W1306 | A1296-L1301 PolarHBondContact O-N 2.87Å; S1299-L1301 PolarHBondContact O-N 3.28Å; S1299-L1301 VanDerWaalsContact O-N 3.15Å; S1299-L1301 WeakPolarHBondContact OG-CD1 3.44Å; L1301-S1305 WeakPolarHBondContact CG-OG 3.41Å; L1301-W1306 PolarHBondContact O-NE1 3.32Å | ||
| 1302 | P | 85.2 | Confident | 85.5 | Confident | 51 Ų | 51 | 40.4 Ų | 40.4 | 33% | 0.331 | 23% | 0.233 | S | C | . | . | trans | -60.2 | 144.7 | 174.1 | 25.9 | -33.6 | 0 | 0 | 0 | 109.7 | T1304 S1305 | P1302-T1304 PolarHBondContact O-N 3.4Å; P1302-S1305 WeakPolarHBondContact CD-OG 3.39Å; P1302-S1305 PolarHBondContact O-N 3.45Å; P1302-S1305 PolarHBondContact O-OG 3.17Å | ||
| 1303 | F | 89.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -53.4 | -33.5 | -177.1 | 179 | -101.8 | 0 | 0 | 0 | 113.1 | S1305 W1306 L1311 W1314 G1336 L1339 A1340 V1366 M1369 L1370 T1373 | F1303-S1305 PolarHBondContact O-N 3.48Å; F1303-W1306 AromaticContact CD2-CD2 3.92Å; F1303-W1306 HydrophobicContact CD2-CD2 3.92Å; F1303-W1306 AromaticContact CD2-CE3 3.68Å; F1303-W1306 HydrophobicContact CD2-CE3 3.68Å; F1303-W1306 HydrophobicContact CD2-CH2 4.35Å; F1303-W1306 AromaticContact CD2-CZ3 3.91Å; F1303-W1306 HydrophobicContact CD2-CZ3 3.91Å; F1303-W1306 AromaticContact CE2-CE3 3.9Å; F1303-W1306 HydrophobicContact CE2-CE3 3.9Å; F1303-W1306 HydrophobicContact CE2-CZ3 4.08Å; F1303-W1306 WeakPolarHBondContact O-CB 3.38Å; F1303-W1306 PolarHBondContact O-N 2.94Å; F1303-W1306 VanDerWaalsContact O-N 3.16Å; F1303-L1311 HydrophobicContact CE2-CD2 3.84Å; F1303-L1311 HydrophobicContact CZ-CD2 3.94Å; F1303-W1314 HydrophobicContact CE2-CD2 4.4Å; F1303-W1314 HydrophobicContact CE2-CE3 4.17Å; F1303-W1314 HydrophobicContact CE2-CH2 4.19Å; F1303-W1314 HydrophobicContact CE2-CZ2 4.38Å; F1303-W1314 HydrophobicContact CE2-CZ3 4.08Å; F1303-W1314 HydrophobicContact CZ-CE3 4.49Å; F1303-W1314 HydrophobicContact CZ-CH2 4.1Å; F1303-W1314 AromaticContact CZ-CZ3 4Å; F1303-W1314 HydrophobicContact CZ-CZ3 4Å; F1303-G1336 WeakPolarHBondContact O-CA 3.25Å; F1303-L1339 HydrophobicContact CZ-CD2 4.16Å; F1303-A1340 HydrophobicContact CE1-CB 4.35Å; F1303-V1366 HydrophobicContact CE1-CG1 3.86Å; F1303-V1366 HydrophobicContact CE1-CG2 4.49Å; F1303-V1366 HydrophobicContact CZ-CG1 4.36Å; F1303-V1366 HydrophobicContact CZ-CG2 4.24Å; F1303-M1369 HydrophobicContact CB-CG 4.26Å; F1303-M1369 HydrophobicContact CD2-CB 3.93Å; F1303-M1369 HydrophobicContact CD2-CG 3.2Å; F1303-M1369 HydrophobicContact CE2-CB 4.1Å; F1303-M1369 HydrophobicContact CE2-CG 3.67Å; F1303-M1369 HydrophobicContact CG-CB 4.43Å; F1303-M1369 HydrophobicContact CG-CG 3.94Å; F1303-L1370 HydrophobicContact CB-CD2 4.04Å; F1303-L1370 HydrophobicContact CB-CG 4.46Å; F1303-L1370 HydrophobicContact CD1-CD2 3.79Å; F1303-L1370 HydrophobicContact CD1-CG 3.87Å; F1303-L1370 HydrophobicContact CG-CD2 4.34Å; F1303-L1370 HydrophobicContact CG-CG 4.45Å; F1303-T1373 HydrophobicContact CB-CG2 4.21Å; F1303-T1373 WeakPolarHBondContact CB-OG1 3.31Å; F1303-T1373 PolarHBondContact N-OG1 2.61Å; F1303-T1373 VanDerWaalsContact N-OG1 3.17Å |
| 1304 | T | 88.9 | Confident | 86.1 | Confident | 66 Ų | 66 | 36.9 Ų | 36.9 | 41% | 0.405 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -62.7 | -25.6 | 178.5 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | P1302 A1337 L1370 | P1302-T1304 PolarHBondContact O-N 3.4Å; T1304-A1337 HydrophobicContact CG2-CB 4.45Å; T1304-A1337 WeakPolarHBondContact O-CB 3.3Å; T1304-A1337 PolarHBondContact O-N 3.46Å; T1304-L1370 HydrophobicContact CG2-CD2 4.11Å |
| 1305 | S | 87.5 | Confident | 86.6 | Confident | 58 Ų | 58 | 35 Ų | 35 | 41% | 0.406 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -92.8 | 2.4 | 178.7 | 69.7 | 0 | 0 | 0 | 0 | 114 | L1301 P1302 F1303 | L1301-S1305 WeakPolarHBondContact CG-OG 3.41Å; P1302-S1305 WeakPolarHBondContact CD-OG 3.39Å; P1302-S1305 PolarHBondContact O-N 3.45Å; P1302-S1305 PolarHBondContact O-OG 3.17Å; F1303-S1305 PolarHBondContact O-N 3.48Å |
| 1306 | W | 92.2 | Very high | 87 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -68.8 | 135.7 | 179.6 | -71.2 | 17 | 0 | 0 | 0 | 111.3 | L1293 I1297 L1301 F1303 I1310 L1311 W1314 S1335 G1336 M1369 T1373 | L1293-W1306 HydrophobicContact CD1-CH2 3.78Å; L1293-W1306 HydrophobicContact CD1-CZ3 3.72Å; I1297-W1306 HydrophobicContact CD1-CH2 4.42Å; I1297-W1306 HydrophobicContact CG1-CH2 4.22Å; I1297-W1306 HydrophobicContact CG1-CZ2 3.95Å; L1301-W1306 PolarHBondContact O-NE1 3.32Å; F1303-W1306 AromaticContact CD2-CD2 3.92Å; F1303-W1306 HydrophobicContact CD2-CD2 3.92Å; F1303-W1306 AromaticContact CD2-CE3 3.68Å; F1303-W1306 HydrophobicContact CD2-CE3 3.68Å; F1303-W1306 HydrophobicContact CD2-CH2 4.35Å; F1303-W1306 AromaticContact CD2-CZ3 3.91Å; F1303-W1306 HydrophobicContact CD2-CZ3 3.91Å; F1303-W1306 AromaticContact CE2-CE3 3.9Å; F1303-W1306 HydrophobicContact CE2-CE3 3.9Å; F1303-W1306 HydrophobicContact CE2-CZ3 4.08Å; F1303-W1306 WeakPolarHBondContact O-CB 3.38Å; F1303-W1306 PolarHBondContact O-N 2.94Å; F1303-W1306 VanDerWaalsContact O-N 3.16Å; W1306-I1310 HydrophobicContact CB-CB 4.48Å; W1306-I1310 HydrophobicContact CB-CG2 4.3Å; W1306-I1310 HydrophobicContact CD2-CG2 3.79Å; W1306-I1310 HydrophobicContact CE3-CG2 3.65Å; W1306-I1310 HydrophobicContact CG-CG2 4.1Å; W1306-I1310 HydrophobicContact CZ3-CG2 4.24Å; W1306-L1311 HydrophobicContact CB-CD2 4.13Å; W1306-L1311 HydrophobicContact CB-CG 4.33Å; W1306-L1311 HydrophobicContact CE3-CD2 4.12Å; W1306-W1314 HydrophobicContact CZ3-CB 3.96Å; W1306-W1314 HydrophobicContact CZ3-CD2 4.38Å; W1306-W1314 AromaticContact CZ3-CG 3.86Å; W1306-W1314 HydrophobicContact CZ3-CG 3.86Å; W1306-S1335 CarbonylContact O-C 3.54Å; W1306-S1335 WeakPolarHBondContact O-CA 3.43Å; W1306-G1336 PolarHBondContact O-N 3.18Å; W1306-M1369 HydrophobicContact CH2-CE 4Å; W1306-M1369 HydrophobicContact CH2-CG 3.91Å; W1306-M1369 HydrophobicContact CH2-SD 3.58Å; W1306-M1369 VanDerWaalsContact CH2-SD 3.58Å; W1306-M1369 HydrophobicContact CZ2-CG 4.46Å; W1306-M1369 HydrophobicContact CZ2-SD 4.09Å; W1306-M1369 HydrophobicContact CZ3-CG 4.2Å; W1306-M1369 HydrophobicContact CZ3-SD 4.37Å; W1306-T1373 HydrophobicContact CZ2-CG2 4.01Å | ||
| 1307 | S | 90.6 | Very high | 87.1 | Confident | 54 Ų | 54 | 36.5 Ų | 36.5 | 38% | 0.378 | 21% | 0.21 | S | C | . | . | B | Isolated β-bridge | trans | -82.2 | 160.3 | 177 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | I1310 L1311 | S1307-I1310 WeakPolarHBondContact O-CB 3.47Å; S1307-I1310 PolarHBondContact O-N 2.94Å; S1307-I1310 WeakPolarHBondContact OG-CD1 3.48Å; S1307-L1311 PolarHBondContact O-N 3.46Å |
| 1308 | S | 90.7 | Very high | 87.5 | Confident | 22 Ų | 22 | 37.1 Ų | 37.1 | 15% | 0.154 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -50.1 | -45.3 | 179.5 | -177 | 0 | 0 | 0 | 0 | 114.4 | I1310 L1311 V1312 I1333 K1334 | S1308-I1310 VanDerWaalsContact C-N 3.31Å; S1308-I1310 PolarHBondContact O-N 3.32Å; S1308-L1311 PolarHBondContact O-N 3.24Å; S1308-V1312 WeakPolarHBondContact O-CG2 3.49Å; S1308-V1312 PolarHBondContact O-N 3Å; S1308-I1333 WeakPolarHBondContact CB-O 3.45Å; S1308-I1333 PolarHBondContact OG-O 3.1Å; S1308-K1334 PolarHBondContact N-O 3.34Å |
| 1309 | P | 90.9 | Very high | 88 | Confident | 75 Ų | 75 | 32.9 Ų | 32.9 | 49% | 0.487 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62 | -33.1 | 176.8 | -25 | 35.4 | 0 | 0 | 0 | 114.8 | S1313 | P1309-S1313 WeakPolarHBondContact O-CB 3.43Å; P1309-S1313 PolarHBondContact O-N 2.85Å; P1309-S1313 VanDerWaalsContact O-N 3.12Å; P1309-S1313 PolarHBondContact O-OG 3.29Å |
| 1310 | I | 90.1 | Very high | 88.3 | Confident | 22 Ų | 22 | 30.3 Ų | 30.3 | 11% | 0.113 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.8 | -44.9 | 176.4 | -60.9 | 168.7 | 0 | 0 | 0 | 109.1 | L1293 A1296 W1306 S1307 S1308 V1312 S1313 W1314 | L1293-I1310 HydrophobicContact CD1-CG2 4.12Å; A1296-I1310 HydrophobicContact CB-CD1 3.97Å; A1296-I1310 HydrophobicContact CB-CG1 4.47Å; A1296-I1310 HydrophobicContact CB-CG2 3.76Å; W1306-I1310 HydrophobicContact CB-CB 4.48Å; W1306-I1310 HydrophobicContact CB-CG2 4.3Å; W1306-I1310 HydrophobicContact CD2-CG2 3.79Å; W1306-I1310 HydrophobicContact CE3-CG2 3.65Å; W1306-I1310 HydrophobicContact CG-CG2 4.1Å; W1306-I1310 HydrophobicContact CZ3-CG2 4.24Å; S1307-I1310 WeakPolarHBondContact O-CB 3.47Å; S1307-I1310 PolarHBondContact O-N 2.94Å; S1307-I1310 WeakPolarHBondContact OG-CD1 3.48Å; S1308-I1310 VanDerWaalsContact C-N 3.31Å; S1308-I1310 PolarHBondContact O-N 3.32Å; I1310-V1312 PolarHBondContact O-N 3.12Å; I1310-S1313 WeakPolarHBondContact O-CB 3.34Å; I1310-S1313 PolarHBondContact O-N 3.07Å; I1310-W1314 WeakPolarHBondContact O-CB 3.48Å; I1310-W1314 PolarHBondContact O-N 3.16Å |
| 1311 | L | 91.7 | Very high | 88.8 | Confident | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 176.2 | -66.5 | 173.6 | 0 | 0 | 0 | 112.3 | F1303 W1306 S1307 S1308 S1313 W1314 L1315 I1333 L1339 | F1303-L1311 HydrophobicContact CE2-CD2 3.84Å; F1303-L1311 HydrophobicContact CZ-CD2 3.94Å; W1306-L1311 HydrophobicContact CB-CD2 4.13Å; W1306-L1311 HydrophobicContact CB-CG 4.33Å; W1306-L1311 HydrophobicContact CE3-CD2 4.12Å; S1307-L1311 PolarHBondContact O-N 3.46Å; S1308-L1311 PolarHBondContact O-N 3.24Å; L1311-S1313 VanDerWaalsContact C-N 3.3Å; L1311-S1313 PolarHBondContact O-N 3.29Å; L1311-W1314 HydrophobicContact CD2-CE3 4.33Å; L1311-W1314 PolarHBondContact O-N 3.28Å; L1311-L1315 WeakPolarHBondContact O-CB 3.11Å; L1311-L1315 VanDerWaalsContact O-CG 3.31Å; L1311-L1315 WeakPolarHBondContact O-CG 3.4Å; L1311-L1315 PolarHBondContact O-N 2.92Å; L1311-I1333 HydrophobicContact CD1-CG2 3.83Å; L1311-L1339 HydrophobicContact CD2-CD2 4.37Å |
| 1312 | V | 90.6 | Very high | 89 | Confident | 13 Ų | 13 | 27 Ų | 27 | 8% | 0.079 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 175.6 | 165.2 | 0 | 0 | 0 | 0 | 110.9 | S1308 I1310 K1316 V1326 E1330 | S1308-V1312 WeakPolarHBondContact O-CG2 3.49Å; S1308-V1312 PolarHBondContact O-N 3Å; I1310-V1312 PolarHBondContact O-N 3.12Å; V1312-K1316 WeakPolarHBondContact O-CB 3.32Å; V1312-K1316 PolarHBondContact O-N 3.2Å; V1312-V1326 HydrophobicContact CB-CG1 4.31Å; V1312-V1326 HydrophobicContact CG1-CG1 3.69Å; V1312-V1326 HydrophobicContact CG2-CG1 4.33Å; V1312-E1330 HydrophobicContact CG2-CB 3.7Å; V1312-E1330 HydrophobicContact CG2-CG 3.82Å |
| 1313 | S | 89.5 | Confident | 89.1 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 176.9 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | Q1289 P1309 I1310 L1311 L1317 | Q1289-S1313 WeakPolarHBondContact O-CB 3.43Å; P1309-S1313 WeakPolarHBondContact O-CB 3.43Å; P1309-S1313 PolarHBondContact O-N 2.85Å; P1309-S1313 VanDerWaalsContact O-N 3.12Å; P1309-S1313 PolarHBondContact O-OG 3.29Å; I1310-S1313 WeakPolarHBondContact O-CB 3.34Å; I1310-S1313 PolarHBondContact O-N 3.07Å; L1311-S1313 VanDerWaalsContact C-N 3.3Å; L1311-S1313 PolarHBondContact O-N 3.29Å; S1313-L1317 VanDerWaalsContact O-CB 3.24Å; S1313-L1317 WeakPolarHBondContact O-CB 3.31Å; S1313-L1317 WeakPolarHBondContact O-CG 3.45Å; S1313-L1317 PolarHBondContact O-N 3.49Å |
| 1314 | W | 91.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.5 | -50.5 | 175.7 | 170.4 | 68.7 | 0 | 0 | 0 | 113.2 | L1293 F1303 W1306 I1310 L1311 K1316 L1317 W1318 V1319 L1339 A1365 V1366 M1369 | L1293-W1314 HydrophobicContact CD1-CB 3.77Å; L1293-W1314 HydrophobicContact CD1-CG 4.45Å; L1293-W1314 HydrophobicContact CD2-CB 4.13Å; F1303-W1314 HydrophobicContact CE2-CD2 4.4Å; F1303-W1314 HydrophobicContact CE2-CE3 4.17Å; F1303-W1314 HydrophobicContact CE2-CH2 4.19Å; F1303-W1314 HydrophobicContact CE2-CZ2 4.38Å; F1303-W1314 HydrophobicContact CE2-CZ3 4.08Å; F1303-W1314 HydrophobicContact CZ-CE3 4.49Å; F1303-W1314 HydrophobicContact CZ-CH2 4.1Å; F1303-W1314 AromaticContact CZ-CZ3 4Å; F1303-W1314 HydrophobicContact CZ-CZ3 4Å; W1306-W1314 HydrophobicContact CZ3-CB 3.96Å; W1306-W1314 HydrophobicContact CZ3-CD2 4.38Å; W1306-W1314 AromaticContact CZ3-CG 3.86Å; W1306-W1314 HydrophobicContact CZ3-CG 3.86Å; I1310-W1314 WeakPolarHBondContact O-CB 3.48Å; I1310-W1314 PolarHBondContact O-N 3.16Å; L1311-W1314 HydrophobicContact CD2-CE3 4.33Å; L1311-W1314 PolarHBondContact O-N 3.28Å; W1314-K1316 VanDerWaalsContact C-N 3.27Å; W1314-K1316 PolarHBondContact O-N 3.17Å; W1314-L1317 PolarHBondContact O-N 2.98Å; W1314-W1318 AromaticContact CD1-CE3 3.95Å; W1314-W1318 WeakPolarHBondContact O-CB 3.37Å; W1314-W1318 PolarHBondContact O-N 3.12Å; W1314-V1319 HydrophobicContact CD2-CG2 3.9Å; W1314-V1319 VanDerWaalsContact CE2-CG2 3.45Å; W1314-V1319 HydrophobicContact CE3-CG2 4.25Å; W1314-V1319 HydrophobicContact CH2-CG2 3.8Å; W1314-V1319 HydrophobicContact CZ2-CG2 3.43Å; W1314-V1319 VanDerWaalsContact CZ2-CG2 3.43Å; W1314-V1319 HydrophobicContact CZ3-CG2 4.19Å; W1314-V1319 PolarHBondContact O-N 2.96Å; W1314-V1319 VanDerWaalsContact O-N 3.1Å; W1314-L1339 HydrophobicContact CZ3-CD2 3.79Å; W1314-A1365 HydrophobicContact CH2-CB 4.15Å; W1314-A1365 HydrophobicContact CZ2-CB 3.88Å; W1314-V1366 HydrophobicContact CH2-CG2 3.79Å; W1314-V1366 HydrophobicContact CZ3-CG2 4.37Å; W1314-M1369 HydrophobicContact CZ2-CB 4.18Å |
| 1315 | L | 91.4 | Very high | 89 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -58.7 | -42.1 | 178.4 | -75.3 | 172.3 | 0 | 0 | 0 | 111.1 | L1311 V1319 G1320 M1321 V1326 C1329 L1362 | L1311-L1315 WeakPolarHBondContact O-CB 3.11Å; L1311-L1315 VanDerWaalsContact O-CG 3.31Å; L1311-L1315 WeakPolarHBondContact O-CG 3.4Å; L1311-L1315 PolarHBondContact O-N 2.92Å; L1315-V1319 HydrophobicContact CD2-CB 4.45Å; L1315-V1319 HydrophobicContact CD2-CG2 4.22Å; L1315-G1320 PolarHBondContact O-N 2.91Å; L1315-M1321 HydrophobicContact CB-CB 4.48Å; L1315-M1321 HydrophobicContact CD2-CG 4.22Å; L1315-M1321 PolarHBondContact O-N 3.1Å; L1315-V1326 HydrophobicContact CB-CG2 4.12Å; L1315-C1329 HydrophobicContact CD1-CB 3.56Å; L1315-L1362 HydrophobicContact CD2-CD1 3.57Å |
| 1316 | K | 88.5 | Confident | 89.2 | Confident | 63 Ų | 63 | 30.7 Ų | 30.7 | 27% | 0.274 | 17% | 0.174 | S | C | . | . | I | π-helix | trans | -75 | -44 | -177.9 | -171.7 | 177.6 | 175.3 | -167.3 | 0 | 113.1 | V1312 W1314 V1326 | V1312-K1316 WeakPolarHBondContact O-CB 3.32Å; V1312-K1316 PolarHBondContact O-N 3.2Å; W1314-K1316 VanDerWaalsContact C-N 3.27Å; W1314-K1316 PolarHBondContact O-N 3.17Å; K1316-V1326 HydrophobicContact CB-CG2 4.28Å |
| 1317 | L | 84.6 | Confident | 89 | Confident | 52 Ų | 52 | 33.1 Ų | 33.1 | 27% | 0.272 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -92.3 | -37.7 | -171.1 | -63.1 | 175.2 | 0 | 0 | 0 | 113.6 | Q1289 K1290 S1313 W1314 | Q1289-L1317 HydrophobicContact CB-CD1 3.83Å; K1290-L1317 HydrophobicContact CB-CD1 4.05Å; S1313-L1317 VanDerWaalsContact O-CB 3.24Å; S1313-L1317 WeakPolarHBondContact O-CB 3.31Å; S1313-L1317 WeakPolarHBondContact O-CG 3.45Å; S1313-L1317 PolarHBondContact O-N 3.49Å; W1314-L1317 PolarHBondContact O-N 2.98Å |
| 1318 | W | 85.2 | Confident | 88.9 | Confident | 20 Ų | 20 | 31.8 Ų | 31.8 | 8% | 0.076 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -105.2 | -41 | -172.3 | -71 | 15.2 | 0 | 0 | 0 | 112.2 | L1293 I1297 W1314 M1369 L1396 I1403 G1405 | L1293-W1318 HydrophobicContact CD2-CD2 3.54Å; L1293-W1318 VanDerWaalsContact CD2-CE2 3.41Å; L1293-W1318 HydrophobicContact CD2-CE3 4.24Å; L1293-W1318 HydrophobicContact CD2-CG 3.68Å; L1293-W1318 HydrophobicContact CD2-CZ2 4.06Å; L1293-W1318 HydrophobicContact CG-CD2 4.39Å; L1293-W1318 HydrophobicContact CG-CZ2 4.25Å; I1297-W1318 HydrophobicContact CD1-CE3 4.43Å; I1297-W1318 HydrophobicContact CD1-CH2 3.06Å; I1297-W1318 HydrophobicContact CD1-CZ2 3.97Å; I1297-W1318 HydrophobicContact CD1-CZ3 3.33Å; W1314-W1318 AromaticContact CD1-CE3 3.95Å; W1314-W1318 WeakPolarHBondContact O-CB 3.37Å; W1314-W1318 PolarHBondContact O-N 3.12Å; W1318-M1369 HydrophobicContact CE3-CE 3.67Å; W1318-M1369 HydrophobicContact CZ3-CE 3.77Å; W1318-L1396 HydrophobicContact CH2-CD2 4.19Å; W1318-L1396 HydrophobicContact CZ2-CD2 4.44Å; W1318-I1403 HydrophobicContact CE3-CG2 4.05Å; W1318-I1403 HydrophobicContact CZ3-CG2 3.61Å; W1318-G1405 WeakPolarHBondContact O-CA 3.44Å |
| 1319 | V | 86.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -78.2 | -30.5 | 174.1 | -169.6 | 0 | 0 | 0 | 0 | 111.1 | W1314 L1315 M1321 K1361 A1365 | W1314-V1319 HydrophobicContact CD2-CG2 3.9Å; W1314-V1319 VanDerWaalsContact CE2-CG2 3.45Å; W1314-V1319 HydrophobicContact CE3-CG2 4.25Å; W1314-V1319 HydrophobicContact CH2-CG2 3.8Å; W1314-V1319 HydrophobicContact CZ2-CG2 3.43Å; W1314-V1319 VanDerWaalsContact CZ2-CG2 3.43Å; W1314-V1319 HydrophobicContact CZ3-CG2 4.19Å; W1314-V1319 PolarHBondContact O-N 2.96Å; W1314-V1319 VanDerWaalsContact O-N 3.1Å; L1315-V1319 HydrophobicContact CD2-CB 4.45Å; L1315-V1319 HydrophobicContact CD2-CG2 4.22Å; V1319-M1321 HydrophobicContact CB-CG 4.26Å; V1319-M1321 HydrophobicContact CG1-CE 3.72Å; V1319-M1321 HydrophobicContact CG1-CG 3.81Å; V1319-M1321 HydrophobicContact CG1-SD 4.49Å; V1319-K1361 HydrophobicContact CG1-CG 4.37Å; V1319-K1361 WeakPolarHBondContact O-CE 3.34Å; V1319-K1361 PolarHBondContact O-NZ 3.04Å; V1319-A1365 HydrophobicContact CG1-CB 4.01Å; V1319-A1365 HydrophobicContact CG2-CB 3.87Å |
| 1320 | G | 86.6 | Confident | 88.7 | Confident | 12 Ų | 12 | 32.7 Ų | 32.7 | 12% | 0.124 | 18% | 0.182 | C | C | . | . | trans | 66.8 | 46.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1315 H1409 | L1315-G1320 PolarHBondContact O-N 2.91Å; G1320-H1409 PolarHBondContact O-CE1 3.13Å; G1320-H1409 PolarHBondContact O-ND1 3.28Å | ||
| 1321 | M | 90.3 | Very high | 88.6 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 6% | 0.064 | 21% | 0.206 | C | C | . | . | trans | -80 | 137 | 173.2 | -75.3 | -64 | 175.4 | 0 | 0 | 110.8 | L1315 V1319 Y1325 V1326 K1361 L1362 L1433 | L1315-M1321 HydrophobicContact CB-CB 4.48Å; L1315-M1321 HydrophobicContact CD2-CG 4.22Å; L1315-M1321 PolarHBondContact O-N 3.1Å; V1319-M1321 HydrophobicContact CB-CG 4.26Å; V1319-M1321 HydrophobicContact CG1-CE 3.72Å; V1319-M1321 HydrophobicContact CG1-CG 3.81Å; V1319-M1321 HydrophobicContact CG1-SD 4.49Å; M1321-Y1325 HydrophobicContact SD-CD2 4.2Å; M1321-V1326 HydrophobicContact CB-CG2 3.89Å; M1321-V1326 WeakPolarHBondContact O-CG2 3.38Å; M1321-K1361 HydrophobicContact CE-CB 3.91Å; M1321-K1361 HydrophobicContact CE-CD 3.6Å; M1321-K1361 HydrophobicContact CE-CG 3.71Å; M1321-K1361 HydrophobicContact SD-CD 4.44Å; M1321-L1362 HydrophobicContact CE-CB 4.06Å; M1321-L1433 HydrophobicContact SD-CD1 4.26Å | ||
| 1322 | P | 87.5 | Confident | 88.3 | Confident | 33 Ų | 33 | 38.9 Ų | 38.9 | 21% | 0.214 | 23% | 0.226 | C | C | . | . | trans | -51.8 | 150.1 | 171.4 | -29 | 31.7 | 0 | 0 | 0 | 113.8 | W1324 Y1325 V1326 L1433 | P1322-W1324 VanDerWaalsContact CB-CD1 3.5Å; P1322-W1324 HydrophobicContact CB-CD2 4.49Å; P1322-W1324 HydrophobicContact CB-CG 4.27Å; P1322-W1324 PolarHBondContact O-N 2.71Å; P1322-W1324 VanDerWaalsContact O-N 3.09Å; P1322-Y1325 HydrophobicContact CB-CD2 4.47Å; P1322-Y1325 HydrophobicContact CG-CD2 4.2Å; P1322-Y1325 PolarHBondContact O-N 2.99Å; P1322-V1326 WeakPolarHBondContact O-CG2 3.49Å; P1322-V1326 PolarHBondContact O-N 3.08Å; P1322-L1433 HydrophobicContact CG-CD1 3.75Å; P1322-L1433 HydrophobicContact CG-CD2 3.88Å; P1322-L1433 HydrophobicContact CG-CG 4.48Å | ||
| 1323 | A | 87.9 | Confident | 88.3 | Confident | 83 Ų | 83 | 38.6 Ų | 38.6 | 69% | 0.686 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -55.3 | -34 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | V1326 A1327 | A1323-V1326 PolarHBondContact O-N 3.28Å; A1323-A1327 WeakPolarHBondContact O-CB 3.46Å; A1323-A1327 PolarHBondContact O-N 2.88Å |
| 1324 | W | 84.7 | Confident | 88.3 | Confident | 154 Ų | 154 | 46.4 Ų | 46.4 | 58% | 0.583 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -71.8 | -34.7 | 179 | 58.2 | -91.9 | 0 | 0 | 0 | 112.8 | P1322 A1328 | P1322-W1324 VanDerWaalsContact CB-CD1 3.5Å; P1322-W1324 HydrophobicContact CB-CD2 4.49Å; P1322-W1324 HydrophobicContact CB-CG 4.27Å; P1322-W1324 PolarHBondContact O-N 2.71Å; P1322-W1324 VanDerWaalsContact O-N 3.09Å; W1324-A1328 PolarHBondContact O-N 2.87Å; W1324-A1328 VanDerWaalsContact O-N 3.11Å |
| 1325 | Y | 91.4 | Very high | 88.2 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.7 | -40.6 | 169.8 | -79 | -43.8 | 0 | 0 | 0 | 111.8 | M1321 P1322 A1327 A1328 C1329 I1353 H1358 L1433 | M1321-Y1325 HydrophobicContact SD-CD2 4.2Å; P1322-Y1325 HydrophobicContact CB-CD2 4.47Å; P1322-Y1325 HydrophobicContact CG-CD2 4.2Å; P1322-Y1325 PolarHBondContact O-N 2.99Å; Y1325-A1327 VanDerWaalsContact C-N 3.3Å; Y1325-A1327 PolarHBondContact O-N 3.34Å; Y1325-A1328 PolarHBondContact O-N 2.96Å; Y1325-C1329 PolarHBondContact O-N 2.73Å; Y1325-C1329 PolarHBondContact O-SG 3.18Å; Y1325-C1329 VanDerWaalsContact O-SG 3.38Å; Y1325-I1353 HydrophobicContact CD1-CD1 3.79Å; Y1325-I1353 HydrophobicContact CD1-CG1 3.72Å; Y1325-I1353 HydrophobicContact CE1-CB 3.86Å; Y1325-I1353 HydrophobicContact CE1-CD1 3.84Å; Y1325-I1353 HydrophobicContact CE1-CG1 3.42Å; Y1325-I1353 VanDerWaalsContact CE1-CG1 3.42Å; Y1325-I1353 HydrophobicContact CE1-CG2 3.77Å; Y1325-I1353 HydrophobicContact CG-CD1 4.43Å; Y1325-H1358 HydrophobicContact CE2-CB 4.19Å; Y1325-H1358 AromaticContact CE2-ND1 3.33Å; Y1325-H1358 VanDerWaalsContact CE2-ND1 3.33Å; Y1325-H1358 WeakPolarHBondContact CE2-ND1 3.4Å; Y1325-H1358 AromaticContact CZ-ND1 3.47Å; Y1325-H1358 PolarHBondContact OH-ND1 2.96Å; Y1325-L1433 HydrophobicContact CD2-CD1 4.24Å; Y1325-L1433 HydrophobicContact CE2-CD1 3.98Å |
| 1326 | V | 90.9 | Very high | 88.2 | Confident | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 176.5 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | V1312 L1315 K1316 M1321 P1322 A1323 C1329 E1330 | V1312-V1326 HydrophobicContact CB-CG1 4.31Å; V1312-V1326 HydrophobicContact CG1-CG1 3.69Å; V1312-V1326 HydrophobicContact CG2-CG1 4.33Å; L1315-V1326 HydrophobicContact CB-CG2 4.12Å; K1316-V1326 HydrophobicContact CB-CG2 4.28Å; M1321-V1326 HydrophobicContact CB-CG2 3.89Å; M1321-V1326 WeakPolarHBondContact O-CG2 3.38Å; P1322-V1326 WeakPolarHBondContact O-CG2 3.49Å; P1322-V1326 PolarHBondContact O-N 3.08Å; A1323-V1326 PolarHBondContact O-N 3.28Å; V1326-C1329 PolarHBondContact O-N 3.24Å; V1326-E1330 WeakPolarHBondContact O-CB 3.1Å; V1326-E1330 PolarHBondContact O-N 2.97Å |
| 1327 | A | 89.1 | Confident | 88.2 | Confident | 51 Ų | 51 | 47 Ų | 47 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1323 Y1325 E1330 A1331 | A1323-A1327 WeakPolarHBondContact O-CB 3.46Å; A1323-A1327 PolarHBondContact O-N 2.88Å; Y1325-A1327 VanDerWaalsContact C-N 3.3Å; Y1325-A1327 PolarHBondContact O-N 3.34Å; A1327-E1330 PolarHBondContact O-N 3.36Å; A1327-A1331 PolarHBondContact O-N 3.38Å |
| 1328 | A | 88.1 | Confident | 88.3 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | W1324 Y1325 A1331 N1332 | W1324-A1328 PolarHBondContact O-N 2.87Å; W1324-A1328 VanDerWaalsContact O-N 3.11Å; Y1325-A1328 PolarHBondContact O-N 2.96Å; A1328-A1331 PolarHBondContact O-N 3.13Å; A1328-N1332 WeakPolarHBondContact O-CB 3.49Å; A1328-N1332 PolarHBondContact O-N 2.9Å; A1328-N1332 VanDerWaalsContact O-N 3.08Å; A1328-N1332 PolarHBondContact O-ND2 3.37Å |
| 1329 | C | 87.1 | Confident | 88.6 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 173.4 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | L1315 Y1325 V1326 A1331 N1332 I1333 | L1315-C1329 HydrophobicContact CD1-CB 3.56Å; Y1325-C1329 PolarHBondContact O-N 2.73Å; Y1325-C1329 PolarHBondContact O-SG 3.18Å; Y1325-C1329 VanDerWaalsContact O-SG 3.38Å; V1326-C1329 PolarHBondContact O-N 3.24Å; C1329-A1331 VanDerWaalsContact C-N 3.32Å; C1329-A1331 PolarHBondContact O-N 2.98Å; C1329-N1332 PolarHBondContact O-N 3.31Å; C1329-I1333 HydrophobicContact CB-CD1 4.12Å; C1329-I1333 WeakPolarHBondContact O-CA 3.14Å; C1329-I1333 WeakPolarHBondContact O-CB 3.38Å; C1329-I1333 PolarHBondContact O-N 3.35Å |
| 1330 | E | 89.3 | Confident | 88.7 | Confident | 109 Ų | 109 | 49.3 Ų | 49.3 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 178.2 | -172.8 | 170.6 | -163.5 | 0 | 0 | 112.3 | V1312 V1326 A1327 | V1312-E1330 HydrophobicContact CG2-CB 3.7Å; V1312-E1330 HydrophobicContact CG2-CG 3.82Å; V1326-E1330 WeakPolarHBondContact O-CB 3.1Å; V1326-E1330 PolarHBondContact O-N 2.97Å; A1327-E1330 PolarHBondContact O-N 3.36Å |
| 1331 | A | 88.5 | Confident | 88.8 | Confident | 75 Ų | 75 | 53 Ų | 53 | 62% | 0.62 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -71.8 | -39.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1327 A1328 C1329 | A1327-A1331 PolarHBondContact O-N 3.38Å; A1328-A1331 PolarHBondContact O-N 3.13Å; C1329-A1331 VanDerWaalsContact C-N 3.32Å; C1329-A1331 PolarHBondContact O-N 2.98Å |
| 1332 | N | 86.2 | Confident | 88.7 | Confident | 82 Ų | 82 | 53.8 Ų | 53.8 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -100.2 | -22 | -169.8 | -62.8 | -23.6 | 0 | 0 | 0 | 113.4 | A1328 C1329 E1350 L1351 | A1328-N1332 WeakPolarHBondContact O-CB 3.49Å; A1328-N1332 PolarHBondContact O-N 2.9Å; A1328-N1332 VanDerWaalsContact O-N 3.08Å; A1328-N1332 PolarHBondContact O-ND2 3.37Å; C1329-N1332 PolarHBondContact O-N 3.31Å; N1332-E1350 PolarHBondContact ND2-O 3.26Å; N1332-L1351 HydrophobicContact CB-CD2 4.05Å |
| 1333 | I | 89.2 | Confident | 88.7 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | trans | -116.1 | 114.9 | -173.3 | -54.4 | 176.4 | 0 | 0 | 0 | 110.8 | S1308 L1311 C1329 S1335 M1338 L1339 L1342 L1351 | S1308-I1333 WeakPolarHBondContact CB-O 3.45Å; S1308-I1333 PolarHBondContact OG-O 3.1Å; L1311-I1333 HydrophobicContact CD1-CG2 3.83Å; C1329-I1333 HydrophobicContact CB-CD1 4.12Å; C1329-I1333 WeakPolarHBondContact O-CA 3.14Å; C1329-I1333 WeakPolarHBondContact O-CB 3.38Å; C1329-I1333 PolarHBondContact O-N 3.35Å; I1333-S1335 VanDerWaalsContact CG2-O 3.22Å; I1333-S1335 WeakPolarHBondContact CG2-O 3.28Å; I1333-M1338 HydrophobicContact CG2-CB 4.42Å; I1333-L1339 HydrophobicContact CD1-CB 4.01Å; I1333-L1339 HydrophobicContact CD1-CD1 3.44Å; I1333-L1339 VanDerWaalsContact CD1-CD1 3.44Å; I1333-L1339 HydrophobicContact CD1-CD2 4.46Å; I1333-L1339 HydrophobicContact CD1-CG 4.12Å; I1333-L1339 HydrophobicContact CG2-CB 3.94Å; I1333-L1342 HydrophobicContact CD1-CD1 4.18Å; I1333-L1351 HydrophobicContact CD1-CD1 4.08Å; I1333-L1351 HydrophobicContact CD1-CD2 3.81Å; I1333-L1351 HydrophobicContact CG1-CD2 4.03Å | ||
| 1334 | K | 89.6 | Confident | 88.6 | Confident | 167 Ų | 167 | 52.9 Ų | 52.9 | 73% | 0.726 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -92.6 | -23.3 | 177.9 | -52.6 | 177 | 179.5 | 173.2 | 0 | 114 | S1308 M1338 | S1308-K1334 PolarHBondContact N-O 3.34Å; K1334-M1338 HydrophobicContact CB-CE 3.43Å; K1334-M1338 VanDerWaalsContact CB-CE 3.43Å; K1334-M1338 HydrophobicContact CD-CE 4.41Å; K1334-M1338 HydrophobicContact CG-CE 3.88Å |
| 1335 | S | 90.5 | Very high | 88.6 | Confident | 38 Ų | 38 | 50.9 Ų | 50.9 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -147.8 | 157.3 | -176.3 | 66.8 | 0 | 0 | 0 | 0 | 113 | W1306 I1333 A1337 M1338 L1339 | W1306-S1335 CarbonylContact O-C 3.54Å; W1306-S1335 WeakPolarHBondContact O-CA 3.43Å; I1333-S1335 VanDerWaalsContact CG2-O 3.22Å; I1333-S1335 WeakPolarHBondContact CG2-O 3.28Å; S1335-A1337 VanDerWaalsContact C-N 3.26Å; S1335-A1337 PolarHBondContact O-N 2.84Å; S1335-M1338 PolarHBondContact O-N 3.2Å; S1335-L1339 PolarHBondContact O-N 3.22Å |
| 1336 | G | 90.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.6 | -28.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | F1303 W1306 L1339 A1340 | F1303-G1336 WeakPolarHBondContact O-CA 3.25Å; W1306-G1336 PolarHBondContact O-N 3.18Å; G1336-L1339 PolarHBondContact O-N 3.38Å; G1336-A1340 WeakPolarHBondContact O-CB 3.47Å; G1336-A1340 PolarHBondContact O-N 3.06Å |
| 1337 | A | 89.4 | Confident | 88.3 | Confident | 42 Ų | 42 | 52.6 Ų | 52.6 | 35% | 0.347 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1304 S1335 A1340 S1341 | T1304-A1337 HydrophobicContact CG2-CB 4.45Å; T1304-A1337 WeakPolarHBondContact O-CB 3.3Å; T1304-A1337 PolarHBondContact O-N 3.46Å; S1335-A1337 VanDerWaalsContact C-N 3.26Å; S1335-A1337 PolarHBondContact O-N 2.84Å; A1337-A1340 PolarHBondContact O-N 2.89Å; A1337-S1341 PolarHBondContact O-N 3.39Å; A1337-S1341 VanDerWaalsContact O-N 3.12Å; A1337-S1341 PolarHBondContact O-OG 3.25Å |
| 1338 | M | 86.7 | Confident | 88.3 | Confident | 76 Ų | 76 | 54.3 Ų | 54.3 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 177 | -77.3 | -164.7 | -64.4 | 0 | 0 | 111.4 | I1333 K1334 S1335 A1340 S1341 L1342 | I1333-M1338 HydrophobicContact CG2-CB 4.42Å; K1334-M1338 HydrophobicContact CB-CE 3.43Å; K1334-M1338 VanDerWaalsContact CB-CE 3.43Å; K1334-M1338 HydrophobicContact CD-CE 4.41Å; K1334-M1338 HydrophobicContact CG-CE 3.88Å; S1335-M1338 PolarHBondContact O-N 3.2Å; M1338-A1340 VanDerWaalsContact C-N 3.28Å; M1338-A1340 PolarHBondContact O-N 3.2Å; M1338-S1341 PolarHBondContact O-N 3.16Å; M1338-S1341 PolarHBondContact O-OG 2.92Å; M1338-L1342 WeakPolarHBondContact O-CG 3.32Å; M1338-L1342 PolarHBondContact O-N 3.04Å |
| 1339 | L | 89.8 | Confident | 88.1 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 177.4 | -178 | 56 | 0 | 0 | 0 | 112.4 | F1303 L1311 W1314 I1333 S1335 G1336 S1341 L1342 L1362 V1366 | F1303-L1339 HydrophobicContact CZ-CD2 4.16Å; L1311-L1339 HydrophobicContact CD2-CD2 4.37Å; W1314-L1339 HydrophobicContact CZ3-CD2 3.79Å; I1333-L1339 HydrophobicContact CD1-CB 4.01Å; I1333-L1339 HydrophobicContact CD1-CD1 3.44Å; I1333-L1339 VanDerWaalsContact CD1-CD1 3.44Å; I1333-L1339 HydrophobicContact CD1-CD2 4.46Å; I1333-L1339 HydrophobicContact CD1-CG 4.12Å; I1333-L1339 HydrophobicContact CG2-CB 3.94Å; S1335-L1339 PolarHBondContact O-N 3.22Å; G1336-L1339 PolarHBondContact O-N 3.38Å; L1339-S1341 VanDerWaalsContact C-N 3.34Å; L1339-L1342 HydrophobicContact CD1-CD1 4.28Å; L1339-L1362 HydrophobicContact CD1-CD1 4.38Å; L1339-L1362 HydrophobicContact CD1-CD2 4.13Å; L1339-L1362 HydrophobicContact CD1-CG 4.41Å; L1339-V1366 HydrophobicContact CD1-CG2 4.42Å; L1339-V1366 HydrophobicContact CD2-CG2 3.98Å; L1339-V1366 HydrophobicContact CG-CG2 3.87Å |
| 1340 | A | 89.4 | Confident | 87.8 | Confident | 38 Ų | 38 | 66.6 Ų | 66.6 | 31% | 0.314 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.8 | -26.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1303 G1336 A1337 M1338 V1366 L1370 | F1303-A1340 HydrophobicContact CE1-CB 4.35Å; G1336-A1340 WeakPolarHBondContact O-CB 3.47Å; G1336-A1340 PolarHBondContact O-N 3.06Å; A1337-A1340 PolarHBondContact O-N 2.89Å; M1338-A1340 VanDerWaalsContact C-N 3.28Å; M1338-A1340 PolarHBondContact O-N 3.2Å; A1340-V1366 HydrophobicContact CB-CG1 4.25Å; A1340-L1370 HydrophobicContact CB-CD1 4.01Å; A1340-L1370 HydrophobicContact CB-CD2 4.46Å |
| 1341 | S | 88.5 | Confident | 87.6 | Confident | 90 Ų | 90 | 61.8 Ų | 61.8 | 63% | 0.629 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -90.9 | -9.3 | -178.7 | 60.4 | 0 | 0 | 0 | 0 | 114.6 | A1337 M1338 L1339 S1343 | A1337-S1341 PolarHBondContact O-N 3.39Å; A1337-S1341 VanDerWaalsContact O-N 3.12Å; A1337-S1341 PolarHBondContact O-OG 3.25Å; M1338-S1341 PolarHBondContact O-N 3.16Å; M1338-S1341 PolarHBondContact O-OG 2.92Å; L1339-S1341 VanDerWaalsContact C-N 3.34Å; S1341-S1343 PolarHBondContact O-N 2.9Å |
| 1342 | L | 88.3 | Confident | 87.5 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | trans | -65.5 | 126.9 | -179 | -66 | 179.3 | 0 | 0 | 0 | 111.1 | I1333 M1338 L1339 D1346 I1347 E1350 L1351 | I1333-L1342 HydrophobicContact CD1-CD1 4.18Å; M1338-L1342 WeakPolarHBondContact O-CG 3.32Å; M1338-L1342 PolarHBondContact O-N 3.04Å; L1339-L1342 HydrophobicContact CD1-CD1 4.28Å; L1342-D1346 HydrophobicContact CB-CB 4.24Å; L1342-D1346 HydrophobicContact CD2-CB 3.87Å; L1342-I1347 HydrophobicContact CB-CD1 4.48Å; L1342-I1347 HydrophobicContact CB-CG1 3.78Å; L1342-I1347 HydrophobicContact CD1-CG1 4.28Å; L1342-E1350 WeakPolarHBondContact CD2-OE2 3.26Å; L1342-L1351 HydrophobicContact CD1-CD1 3.77Å; L1342-L1351 HydrophobicContact CD1-CG 4.14Å | ||
| 1343 | S | 87.2 | Confident | 87.6 | Confident | 42 Ų | 42 | 56.4 Ų | 56.4 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | trans | -72.7 | 168.5 | 170.4 | 76.1 | 0 | 0 | 0 | 0 | 111.3 | S1341 Q1345 D1346 I1347 | S1341-S1343 PolarHBondContact O-N 2.9Å; S1343-Q1345 PolarHBondContact O-N 3.33Å; S1343-Q1345 PolarHBondContact OG-N 3.3Å; S1343-D1346 VanDerWaalsContact CB-OD2 3.25Å; S1343-D1346 WeakPolarHBondContact CB-OD2 3.44Å; S1343-D1346 PolarHBondContact N-OD2 3.15Å; S1343-D1346 PolarHBondContact O-N 3.35Å; S1343-D1346 VanDerWaalsContact O-N 3.12Å; S1343-D1346 PolarHBondContact OG-N 3.41Å; S1343-D1346 PolarHBondContact OG-OD2 2.84Å; S1343-I1347 WeakPolarHBondContact O-CG1 2.95Å; S1343-I1347 PolarHBondContact O-N 2.91Å | ||
| 1344 | E | 85.5 | Confident | 87.4 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.5 | -37.5 | 173.8 | -177.2 | 72.3 | -168.7 | 0 | 0 | 111.9 | Q1348 R1359 R1363 | E1344-Q1348 PolarHBondContact O-N 3.42Å; E1344-Q1348 VanDerWaalsContact O-N 3.16Å; E1344-R1359 IonicContact OE1-CZ 3.58Å; E1344-R1359 IonicContact OE1-NE 3.77Å; E1344-R1359 PolarHBondContact OE1-NE 3Å; E1344-R1359 IonicContact OE1-NH2 3.74Å; E1344-R1359 PolarHBondContact OE1-NH2 3.17Å; E1344-R1363 IonicContact OE2-CZ 3.37Å; E1344-R1363 VanDerWaalsContact OE2-CZ 3.31Å; E1344-R1363 IonicContact OE2-NE 2.9Å; E1344-R1363 PolarHBondContact OE2-NE 3.32Å; E1344-R1363 IonicContact OE2-NH2 2.79Å; E1344-R1363 PolarHBondContact OE2-NH2 2.9Å; E1344-R1363 VanDerWaalsContact OE2-NH2 3.16Å |
| 1345 | Q | 86.2 | Confident | 87.5 | Confident | 112 Ų | 112 | 59.2 Ų | 59.2 | 52% | 0.523 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.9 | -36.9 | 178.9 | -61.6 | -179 | 19.5 | 0 | 0 | 111.5 | S1343 Q1348 R1349 | S1343-Q1345 PolarHBondContact O-N 3.33Å; S1343-Q1345 PolarHBondContact OG-N 3.3Å; Q1345-Q1348 PolarHBondContact O-N 3.18Å; Q1345-R1349 WeakPolarHBondContact O-CB 3.28Å; Q1345-R1349 WeakPolarHBondContact O-CG 3.46Å; Q1345-R1349 PolarHBondContact O-N 3.47Å |
| 1346 | D | 87.7 | Confident | 87.5 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.4 | -40.5 | 178.4 | -52.9 | -38.2 | 0 | 0 | 0 | 110.8 | L1342 S1343 Q1348 R1349 E1350 | L1342-D1346 HydrophobicContact CB-CB 4.24Å; L1342-D1346 HydrophobicContact CD2-CB 3.87Å; S1343-D1346 VanDerWaalsContact CB-OD2 3.25Å; S1343-D1346 WeakPolarHBondContact CB-OD2 3.44Å; S1343-D1346 PolarHBondContact N-OD2 3.15Å; S1343-D1346 PolarHBondContact O-N 3.35Å; S1343-D1346 VanDerWaalsContact O-N 3.12Å; S1343-D1346 PolarHBondContact OG-N 3.41Å; S1343-D1346 PolarHBondContact OG-OD2 2.84Å; D1346-Q1348 PolarHBondContact O-N 2.73Å; D1346-R1349 PolarHBondContact O-N 2.97Å; D1346-E1350 HydrophobicContact CB-CG 4.3Å; D1346-E1350 WeakPolarHBondContact O-CA 3.41Å; D1346-E1350 WeakPolarHBondContact O-CB 3.36Å; D1346-E1350 PolarHBondContact O-N 3.31Å |
| 1347 | I | 88.2 | Confident | 87.6 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.6 | -38.9 | 172.2 | -64 | 171.3 | 0 | 0 | 0 | 110.4 | L1342 S1343 L1351 G1352 I1353 R1359 L1362 R1363 | L1342-I1347 HydrophobicContact CB-CD1 4.48Å; L1342-I1347 HydrophobicContact CB-CG1 3.78Å; L1342-I1347 HydrophobicContact CD1-CG1 4.28Å; S1343-I1347 WeakPolarHBondContact O-CG1 2.95Å; S1343-I1347 PolarHBondContact O-N 2.91Å; I1347-L1351 HydrophobicContact CG1-CD1 4.49Å; I1347-L1351 HydrophobicContact CG2-CD1 4.25Å; I1347-L1351 WeakPolarHBondContact O-CB 3.27Å; I1347-L1351 PolarHBondContact O-N 3.42Å; I1347-G1352 PolarHBondContact O-N 3.25Å; I1347-I1353 HydrophobicContact CG2-CB 4.09Å; I1347-I1353 HydrophobicContact CG2-CD1 4.03Å; I1347-I1353 HydrophobicContact CG2-CG1 4.16Å; I1347-I1353 PolarHBondContact O-N 3.48Å; I1347-R1359 HydrophobicContact CB-CG 4.49Å; I1347-R1359 HydrophobicContact CG2-CB 4.09Å; I1347-R1359 HydrophobicContact CG2-CG 3.56Å; I1347-L1362 HydrophobicContact CG2-CD2 4.26Å; I1347-R1363 HydrophobicContact CD1-CG 3.76Å |
| 1348 | Q | 88.6 | Confident | 87.9 | Confident | 88 Ų | 88 | 58.1 Ų | 58.1 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.8 | -44.6 | 177.9 | -173.7 | 176.5 | -0 | 0 | 0 | 112.8 | E1344 Q1345 D1346 G1352 | E1344-Q1348 PolarHBondContact O-N 3.42Å; E1344-Q1348 VanDerWaalsContact O-N 3.16Å; Q1345-Q1348 PolarHBondContact O-N 3.18Å; D1346-Q1348 PolarHBondContact O-N 2.73Å; Q1348-G1352 VanDerWaalsContact O-CA 3.27Å; Q1348-G1352 WeakPolarHBondContact O-CA 3.44Å; Q1348-G1352 PolarHBondContact O-N 3.17Å |
| 1349 | R | 84.3 | Confident | 88.2 | Confident | 184 Ų | 184 | 55.4 Ų | 55.4 | 69% | 0.694 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -81.3 | -50.1 | -175 | -69.1 | 177.8 | -172.7 | 160.2 | 6.9 | 112.5 | Q1345 D1346 | Q1345-R1349 WeakPolarHBondContact O-CB 3.28Å; Q1345-R1349 WeakPolarHBondContact O-CG 3.46Å; Q1345-R1349 PolarHBondContact O-N 3.47Å; D1346-R1349 PolarHBondContact O-N 2.97Å |
| 1350 | E | 81.1 | Confident | 88.4 | Confident | 106 Ų | 106 | 56.2 Ų | 56.2 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -44 | -173.7 | -55.5 | -168.7 | 162.4 | 0 | 0 | 112.4 | N1332 L1342 D1346 | N1332-E1350 PolarHBondContact ND2-O 3.26Å; L1342-E1350 WeakPolarHBondContact CD2-OE2 3.26Å; D1346-E1350 HydrophobicContact CB-CG 4.3Å; D1346-E1350 WeakPolarHBondContact O-CA 3.41Å; D1346-E1350 WeakPolarHBondContact O-CB 3.36Å; D1346-E1350 PolarHBondContact O-N 3.31Å |
| 1351 | L | 84.4 | Confident | 88.6 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -88.7 | -7.7 | 177.5 | -59.3 | 176.7 | 0 | 0 | 0 | 113.1 | N1332 I1333 L1342 I1347 I1353 L1362 | N1332-L1351 HydrophobicContact CB-CD2 4.05Å; I1333-L1351 HydrophobicContact CD1-CD1 4.08Å; I1333-L1351 HydrophobicContact CD1-CD2 3.81Å; I1333-L1351 HydrophobicContact CG1-CD2 4.03Å; L1342-L1351 HydrophobicContact CD1-CD1 3.77Å; L1342-L1351 HydrophobicContact CD1-CG 4.14Å; I1347-L1351 HydrophobicContact CG1-CD1 4.49Å; I1347-L1351 HydrophobicContact CG2-CD1 4.25Å; I1347-L1351 WeakPolarHBondContact O-CB 3.27Å; I1347-L1351 PolarHBondContact O-N 3.42Å; L1351-I1353 HydrophobicContact CB-CD1 4.15Å; L1351-I1353 HydrophobicContact CB-CG1 3.76Å; L1351-I1353 HydrophobicContact CD1-CD1 4.38Å; L1351-I1353 PolarHBondContact O-N 3.4Å; L1351-L1362 HydrophobicContact CD1-CD2 3.95Å |
| 1352 | G | 85.4 | Confident | 88.8 | Confident | 43 Ų | 43 | 50.2 Ų | 50.2 | 44% | 0.443 | 24% | 0.242 | S | C | . | . | trans | 68.7 | 17.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1347 Q1348 R1354 | I1347-G1352 PolarHBondContact O-N 3.25Å; Q1348-G1352 VanDerWaalsContact O-CA 3.27Å; Q1348-G1352 WeakPolarHBondContact O-CA 3.44Å; Q1348-G1352 PolarHBondContact O-N 3.17Å; G1352-R1354 PolarHBondContact O-N 3.48Å | ||
| 1353 | I | 88.1 | Confident | 89 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | trans | -81.5 | 89.4 | -176.4 | -47 | -163.5 | 0 | 0 | 0 | 109.9 | Y1325 I1347 L1351 H1358 R1359 L1362 | Y1325-I1353 HydrophobicContact CD1-CD1 3.79Å; Y1325-I1353 HydrophobicContact CD1-CG1 3.72Å; Y1325-I1353 HydrophobicContact CE1-CB 3.86Å; Y1325-I1353 HydrophobicContact CE1-CD1 3.84Å; Y1325-I1353 HydrophobicContact CE1-CG1 3.42Å; Y1325-I1353 VanDerWaalsContact CE1-CG1 3.42Å; Y1325-I1353 HydrophobicContact CE1-CG2 3.77Å; Y1325-I1353 HydrophobicContact CG-CD1 4.43Å; I1347-I1353 HydrophobicContact CG2-CB 4.09Å; I1347-I1353 HydrophobicContact CG2-CD1 4.03Å; I1347-I1353 HydrophobicContact CG2-CG1 4.16Å; I1347-I1353 PolarHBondContact O-N 3.48Å; L1351-I1353 HydrophobicContact CB-CD1 4.15Å; L1351-I1353 HydrophobicContact CB-CG1 3.76Å; L1351-I1353 HydrophobicContact CD1-CD1 4.38Å; L1351-I1353 PolarHBondContact O-N 3.4Å; I1353-H1358 HydrophobicContact CG2-CB 3.5Å; I1353-H1358 VanDerWaalsContact CG2-CB 3.5Å; I1353-R1359 HydrophobicContact CB-CG 3.81Å; I1353-R1359 HydrophobicContact CG2-CG 3.49Å; I1353-R1359 VanDerWaalsContact CG2-CG 3.49Å; I1353-R1359 WeakPolarHBondContact O-CD 3.4Å; I1353-R1359 WeakPolarHBondContact O-CG 3.28Å; I1353-R1359 PolarHBondContact O-NH1 3.03Å; I1353-L1362 HydrophobicContact CD1-CD2 4Å | ||
| 1354 | R | 86.7 | Confident | 89.2 | Confident | 197 Ų | 197 | 51.7 Ų | 51.7 | 74% | 0.743 | 24% | 0.241 | S | C | * | . | trans | -72.8 | -32.6 | -177.7 | -63.8 | -174.2 | -178.6 | -166.7 | -0.1 | 114.7 | G1352 R1359 | G1352-R1354 PolarHBondContact O-N 3.48Å; R1354-R1359 PolarHBondContact O-NH1 2.73Å | ||
| 1355 | N | 90 | Very high | 89.4 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | trans | -75.3 | 122.4 | -178 | -175.1 | -25.9 | 0 | 0 | 0 | 110.7 | L1357 H1358 R1359 | N1355-L1357 VanDerWaalsContact C-N 3.3Å; N1355-L1357 PolarHBondContact O-N 3.46Å; N1355-L1357 PolarHBondContact OD1-N 3.28Å; N1355-H1358 HydrophobicContact CB-CB 4.23Å; N1355-H1358 PolarHBondContact ND2-NE2 3.14Å; N1355-H1358 WeakPolarHBondContact O-CB 3.41Å; N1355-H1358 PolarHBondContact O-N 3.04Å; N1355-H1358 VanDerWaalsContact O-N 3.17Å; N1355-R1359 PolarHBondContact O-N 3.05Å | ||
| 1356 | P | 90.7 | Very high | 89.6 | Confident | 43 Ų | 43 | 44.4 Ų | 44.4 | 28% | 0.279 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.8 | -35.2 | -178.8 | 24.8 | -34.5 | 0 | 0 | 0 | 113.4 | H1358 R1359 L1360 H1450 | P1356-H1358 VanDerWaalsContact C-N 3.29Å; P1356-H1358 PolarHBondContact O-N 2.88Å; P1356-R1359 PolarHBondContact O-N 3.45Å; P1356-L1360 WeakPolarHBondContact O-CB 3.45Å; P1356-L1360 PolarHBondContact O-N 3.42Å; P1356-H1450 WeakPolarHBondContact CG-NE2 3.49Å |
| 1357 | L | 94 | Very high | 89.5 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.9 | -31.4 | 178.7 | -68.8 | -174 | 0 | 0 | 0 | 112.1 | N1355 L1360 K1361 C1432 M1438 L1442 D1446 H1450 L1451 | N1355-L1357 VanDerWaalsContact C-N 3.3Å; N1355-L1357 PolarHBondContact O-N 3.46Å; N1355-L1357 PolarHBondContact OD1-N 3.28Å; L1357-L1360 HydrophobicContact CD2-CD2 4.25Å; L1357-L1360 PolarHBondContact O-N 2.98Å; L1357-K1361 PolarHBondContact O-N 2.97Å; L1357-C1432 HydrophobicContact CB-CB 4.22Å; L1357-C1432 HydrophobicContact CD1-CB 3.67Å; L1357-M1438 HydrophobicContact CB-CE 3.81Å; L1357-M1438 HydrophobicContact CD2-CE 4.12Å; L1357-M1438 HydrophobicContact CG-CE 4.46Å; L1357-M1438 WeakPolarHBondContact O-CE 3.39Å; L1357-L1442 HydrophobicContact CD2-CD2 3.8Å; L1357-D1446 HydrophobicContact CD2-CB 4.19Å; L1357-H1450 HydrophobicContact CD1-CB 3.61Å; L1357-H1450 HydrophobicContact CG-CB 4.35Å; L1357-L1451 HydrophobicContact CD1-CD1 4.47Å; L1357-L1451 HydrophobicContact CD1-CD2 4.09Å; L1357-L1451 HydrophobicContact CD1-CG 4.15Å |
| 1358 | H | 94.7 | Very high | 89.4 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.6 | -38.1 | 175.5 | -62.4 | -178.4 | 0 | 0 | 0 | 111.2 | Y1325 I1353 N1355 P1356 K1361 L1362 E1431 C1432 | Y1325-H1358 HydrophobicContact CE2-CB 4.19Å; Y1325-H1358 AromaticContact CE2-ND1 3.33Å; Y1325-H1358 VanDerWaalsContact CE2-ND1 3.33Å; Y1325-H1358 WeakPolarHBondContact CE2-ND1 3.4Å; Y1325-H1358 AromaticContact CZ-ND1 3.47Å; Y1325-H1358 PolarHBondContact OH-ND1 2.96Å; I1353-H1358 HydrophobicContact CG2-CB 3.5Å; I1353-H1358 VanDerWaalsContact CG2-CB 3.5Å; N1355-H1358 HydrophobicContact CB-CB 4.23Å; N1355-H1358 PolarHBondContact ND2-NE2 3.14Å; N1355-H1358 WeakPolarHBondContact O-CB 3.41Å; N1355-H1358 PolarHBondContact O-N 3.04Å; N1355-H1358 VanDerWaalsContact O-N 3.17Å; P1356-H1358 VanDerWaalsContact C-N 3.29Å; P1356-H1358 PolarHBondContact O-N 2.88Å; H1358-K1361 WeakPolarHBondContact O-CB 3.4Å; H1358-K1361 PolarHBondContact O-N 2.97Å; H1358-L1362 PolarHBondContact O-N 3.47Å; H1358-E1431 PolarHBondContact CE1-O 3.42Å; H1358-E1431 VanDerWaalsContact CE1-O 3.3Å; H1358-E1431 PolarHBondContact NE2-O 3.42Å; H1358-C1432 VanDerWaalsContact CD2-C 3.44Å; H1358-C1432 PolarHBondContact CD2-O 3.36Å; H1358-C1432 VanDerWaalsContact NE2-CA 3.25Å; H1358-C1432 WeakPolarHBondContact NE2-CA 3.49Å |
| 1359 | R | 94.3 | Very high | 89.3 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 7% | 0.072 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.9 | -43.5 | 174.4 | -61.3 | -161.7 | -61.9 | -84 | -5.1 | 111.3 | E1344 I1347 I1353 R1354 N1355 P1356 K1361 L1362 R1363 | E1344-R1359 IonicContact OE1-CZ 3.58Å; E1344-R1359 IonicContact OE1-NE 3.77Å; E1344-R1359 PolarHBondContact OE1-NE 3Å; E1344-R1359 IonicContact OE1-NH2 3.74Å; E1344-R1359 PolarHBondContact OE1-NH2 3.17Å; I1347-R1359 HydrophobicContact CB-CG 4.49Å; I1347-R1359 HydrophobicContact CG2-CB 4.09Å; I1347-R1359 HydrophobicContact CG2-CG 3.56Å; I1353-R1359 HydrophobicContact CB-CG 3.81Å; I1353-R1359 HydrophobicContact CG2-CG 3.49Å; I1353-R1359 VanDerWaalsContact CG2-CG 3.49Å; I1353-R1359 WeakPolarHBondContact O-CD 3.4Å; I1353-R1359 WeakPolarHBondContact O-CG 3.28Å; I1353-R1359 PolarHBondContact O-NH1 3.03Å; R1354-R1359 PolarHBondContact O-NH1 2.73Å; N1355-R1359 PolarHBondContact O-N 3.05Å; P1356-R1359 PolarHBondContact O-N 3.45Å; R1359-K1361 VanDerWaalsContact C-N 3.35Å; R1359-K1361 PolarHBondContact O-N 3.26Å; R1359-L1362 PolarHBondContact O-N 3.47Å; R1359-R1363 PolarHBondContact O-N 3.22Å |
| 1360 | L | 93.8 | Very high | 89.4 | Confident | 23 Ų | 23 | 39.7 Ų | 39.7 | 12% | 0.12 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.4 | -47.7 | 174.4 | 179.5 | 63 | 0 | 0 | 0 | 111.5 | P1356 L1357 L1362 R1363 L1364 M1438 H1441 | P1356-L1360 WeakPolarHBondContact O-CB 3.45Å; P1356-L1360 PolarHBondContact O-N 3.42Å; L1357-L1360 HydrophobicContact CD2-CD2 4.25Å; L1357-L1360 PolarHBondContact O-N 2.98Å; L1360-L1362 VanDerWaalsContact C-N 3.33Å; L1360-L1362 PolarHBondContact O-N 3.34Å; L1360-R1363 PolarHBondContact O-N 3.21Å; L1360-L1364 HydrophobicContact CD1-CD1 3.91Å; L1360-L1364 HydrophobicContact CD1-CD2 4.49Å; L1360-L1364 HydrophobicContact CD1-CG 3.97Å; L1360-L1364 HydrophobicContact CG-CD1 3.93Å; L1360-L1364 HydrophobicContact CG-CG 4.36Å; L1360-L1364 WeakPolarHBondContact O-CG 3.32Å; L1360-L1364 PolarHBondContact O-N 3.16Å; L1360-M1438 HydrophobicContact CD2-CE 4.35Å; L1360-H1441 HydrophobicContact CD2-CB 4.23Å |
| 1361 | K | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.3 | -48.9 | 175.7 | -172.1 | 175.6 | -177.7 | 174.2 | 0 | 112.4 | V1319 M1321 L1357 H1358 R1359 A1365 H1409 L1433 D1435 M1438 | V1319-K1361 HydrophobicContact CG1-CG 4.37Å; V1319-K1361 WeakPolarHBondContact O-CE 3.34Å; V1319-K1361 PolarHBondContact O-NZ 3.04Å; M1321-K1361 HydrophobicContact CE-CB 3.91Å; M1321-K1361 HydrophobicContact CE-CD 3.6Å; M1321-K1361 HydrophobicContact CE-CG 3.71Å; M1321-K1361 HydrophobicContact SD-CD 4.44Å; L1357-K1361 PolarHBondContact O-N 2.97Å; H1358-K1361 WeakPolarHBondContact O-CB 3.4Å; H1358-K1361 PolarHBondContact O-N 2.97Å; R1359-K1361 VanDerWaalsContact C-N 3.35Å; R1359-K1361 PolarHBondContact O-N 3.26Å; K1361-A1365 VanDerWaalsContact O-CB 3.3Å; K1361-A1365 WeakPolarHBondContact O-CB 3.39Å; K1361-A1365 PolarHBondContact O-N 3.48Å; K1361-H1409 PolarHBondContact NZ-ND1 3.18Å; K1361-H1409 VanDerWaalsContact NZ-ND1 3.18Å; K1361-L1433 HydrophobicContact CD-CB 4.09Å; K1361-L1433 WeakPolarHBondContact CD-O 3.43Å; K1361-L1433 WeakPolarHBondContact CE-O 3.43Å; K1361-L1433 PolarHBondContact NZ-O 3.21Å; K1361-D1435 VanDerWaalsContact CE-OD2 3.26Å; K1361-D1435 WeakPolarHBondContact CE-OD2 3.45Å; K1361-M1438 HydrophobicContact CB-CE 4.37Å; K1361-M1438 HydrophobicContact CB-CG 4.29Å; K1361-M1438 HydrophobicContact CB-SD 3.49Å; K1361-M1438 WeakPolarHBondContact CB-SD 3.46Å; K1361-M1438 HydrophobicContact CD-SD 4.15Å; K1361-M1438 HydrophobicContact CG-SD 3.83Å |
| 1362 | L | 92.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -47.2 | -179.2 | -176.2 | 60.3 | 0 | 0 | 0 | 110.7 | L1315 M1321 L1339 I1347 L1351 I1353 H1358 R1359 L1360 A1365 V1366 | L1315-L1362 HydrophobicContact CD2-CD1 3.57Å; M1321-L1362 HydrophobicContact CE-CB 4.06Å; L1339-L1362 HydrophobicContact CD1-CD1 4.38Å; L1339-L1362 HydrophobicContact CD1-CD2 4.13Å; L1339-L1362 HydrophobicContact CD1-CG 4.41Å; I1347-L1362 HydrophobicContact CG2-CD2 4.26Å; L1351-L1362 HydrophobicContact CD1-CD2 3.95Å; I1353-L1362 HydrophobicContact CD1-CD2 4Å; H1358-L1362 PolarHBondContact O-N 3.47Å; R1359-L1362 PolarHBondContact O-N 3.47Å; L1360-L1362 VanDerWaalsContact C-N 3.33Å; L1360-L1362 PolarHBondContact O-N 3.34Å; L1362-A1365 PolarHBondContact O-N 2.93Å; L1362-V1366 HydrophobicContact CD1-CG2 4.42Å; L1362-V1366 VanDerWaalsContact O-CG2 3.28Å; L1362-V1366 WeakPolarHBondContact O-CG2 3.04Å; L1362-V1366 PolarHBondContact O-N 2.89Å |
| 1363 | R | 92 | Very high | 89.3 | Confident | 76 Ų | 76 | 36 Ų | 36 | 29% | 0.287 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 179.4 | -75 | -167.3 | -70.8 | 109.7 | -6.9 | 113 | E1344 I1347 R1359 L1360 A1365 V1366 H1367 | E1344-R1363 IonicContact OE2-CZ 3.37Å; E1344-R1363 VanDerWaalsContact OE2-CZ 3.31Å; E1344-R1363 IonicContact OE2-NE 2.9Å; E1344-R1363 PolarHBondContact OE2-NE 3.32Å; E1344-R1363 IonicContact OE2-NH2 2.79Å; E1344-R1363 PolarHBondContact OE2-NH2 2.9Å; E1344-R1363 VanDerWaalsContact OE2-NH2 3.16Å; I1347-R1363 HydrophobicContact CD1-CG 3.76Å; R1359-R1363 PolarHBondContact O-N 3.22Å; L1360-R1363 PolarHBondContact O-N 3.21Å; R1363-A1365 VanDerWaalsContact C-N 3.31Å; R1363-A1365 PolarHBondContact O-N 3.48Å; R1363-V1366 PolarHBondContact O-N 3.42Å; R1363-H1367 WeakPolarHBondContact O-CB 3.15Å; R1363-H1367 PolarHBondContact O-N 3.07Å |
| 1364 | L | 91.3 | Very high | 88.8 | Confident | 27 Ų | 27 | 38.6 Ų | 38.6 | 14% | 0.141 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 178.4 | -68.9 | 176.1 | 0 | 0 | 0 | 111.1 | L1360 H1367 E1368 M1438 H1441 | L1360-L1364 HydrophobicContact CD1-CD1 3.91Å; L1360-L1364 HydrophobicContact CD1-CD2 4.49Å; L1360-L1364 HydrophobicContact CD1-CG 3.97Å; L1360-L1364 HydrophobicContact CG-CD1 3.93Å; L1360-L1364 HydrophobicContact CG-CG 4.36Å; L1360-L1364 WeakPolarHBondContact O-CG 3.32Å; L1360-L1364 PolarHBondContact O-N 3.16Å; L1364-H1367 PolarHBondContact O-N 3.02Å; L1364-E1368 VanDerWaalsContact O-CB 3.27Å; L1364-E1368 WeakPolarHBondContact O-CB 3.39Å; L1364-E1368 PolarHBondContact O-N 3.07Å; L1364-M1438 HydrophobicContact CD1-CG 4.12Å; L1364-H1441 HydrophobicContact CD1-CB 4.29Å |
| 1365 | A | 90.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1314 V1319 K1361 L1362 R1363 M1369 | W1314-A1365 HydrophobicContact CH2-CB 4.15Å; W1314-A1365 HydrophobicContact CZ2-CB 3.88Å; V1319-A1365 HydrophobicContact CG1-CB 4.01Å; V1319-A1365 HydrophobicContact CG2-CB 3.87Å; K1361-A1365 VanDerWaalsContact O-CB 3.3Å; K1361-A1365 WeakPolarHBondContact O-CB 3.39Å; K1361-A1365 PolarHBondContact O-N 3.48Å; L1362-A1365 PolarHBondContact O-N 2.93Å; R1363-A1365 VanDerWaalsContact C-N 3.31Å; R1363-A1365 PolarHBondContact O-N 3.48Å; A1365-M1369 WeakPolarHBondContact O-CB 3.43Å; A1365-M1369 PolarHBondContact O-N 3.44Å |
| 1366 | V | 90.2 | Very high | 87.2 | Confident | 11 Ų | 11 | 31.7 Ų | 31.7 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -47.2 | 175.3 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | F1303 W1314 L1339 A1340 L1362 R1363 E1368 M1369 L1370 | F1303-V1366 HydrophobicContact CE1-CG1 3.86Å; F1303-V1366 HydrophobicContact CE1-CG2 4.49Å; F1303-V1366 HydrophobicContact CZ-CG1 4.36Å; F1303-V1366 HydrophobicContact CZ-CG2 4.24Å; W1314-V1366 HydrophobicContact CH2-CG2 3.79Å; W1314-V1366 HydrophobicContact CZ3-CG2 4.37Å; L1339-V1366 HydrophobicContact CD1-CG2 4.42Å; L1339-V1366 HydrophobicContact CD2-CG2 3.98Å; L1339-V1366 HydrophobicContact CG-CG2 3.87Å; A1340-V1366 HydrophobicContact CB-CG1 4.25Å; L1362-V1366 HydrophobicContact CD1-CG2 4.42Å; L1362-V1366 VanDerWaalsContact O-CG2 3.28Å; L1362-V1366 WeakPolarHBondContact O-CG2 3.04Å; L1362-V1366 PolarHBondContact O-N 2.89Å; R1363-V1366 PolarHBondContact O-N 3.42Å; V1366-E1368 PolarHBondContact O-N 2.9Å; V1366-M1369 PolarHBondContact O-N 3.49Å; V1366-L1370 HydrophobicContact CG1-CD1 3.86Å; V1366-L1370 HydrophobicContact CG1-CG 4.46Å; V1366-L1370 WeakPolarHBondContact O-CB 3.46Å; V1366-L1370 WeakPolarHBondContact O-CG 3.49Å; V1366-L1370 PolarHBondContact O-N 2.73Å |
| 1367 | H | 86.6 | Confident | 85.9 | Confident | 134 Ų | 134 | 33.7 Ų | 33.7 | 62% | 0.62 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -61.3 | -45.1 | 179.3 | -175.3 | 79.5 | 0 | 0 | 0 | 111.9 | R1363 L1364 M1369 L1370 A1371 | R1363-H1367 WeakPolarHBondContact O-CB 3.15Å; R1363-H1367 PolarHBondContact O-N 3.07Å; L1364-H1367 PolarHBondContact O-N 3.02Å; H1367-M1369 VanDerWaalsContact C-N 3.34Å; H1367-M1369 PolarHBondContact O-N 3.1Å; H1367-L1370 PolarHBondContact O-N 2.97Å; H1367-A1371 WeakPolarHBondContact O-CB 3.4Å; H1367-A1371 PolarHBondContact O-N 3.3Å |
| 1368 | E | 86.1 | Confident | 84 | Confident | 36 Ų | 36 | 36.6 Ų | 36.6 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 175.5 | -175.4 | -173.8 | -150.3 | 0 | 0 | 111.6 | L1364 V1366 A1371 F1372 L1402 I1403 R1437 | L1364-E1368 VanDerWaalsContact O-CB 3.27Å; L1364-E1368 WeakPolarHBondContact O-CB 3.39Å; L1364-E1368 PolarHBondContact O-N 3.07Å; V1366-E1368 PolarHBondContact O-N 2.9Å; E1368-A1371 PolarHBondContact O-N 3.42Å; E1368-F1372 WeakPolarHBondContact O-CB 3.39Å; E1368-F1372 PolarHBondContact O-N 3.3Å; E1368-L1402 WeakPolarHBondContact OE1-CB 3.28Å; E1368-I1403 HydrophobicContact CG-CD1 4.48Å; E1368-I1403 HydrophobicContact CG-CG1 3.8Å; E1368-I1403 VanDerWaalsContact OE1-CG1 3.3Å; E1368-I1403 WeakPolarHBondContact OE1-CG1 3.3Å; E1368-I1403 PolarHBondContact OE1-N 2.83Å; E1368-R1437 WeakPolarHBondContact OE2-CD 3.14Å; E1368-R1437 IonicContact OE2-CZ 3.13Å; E1368-R1437 IonicContact OE2-NE 2.95Å; E1368-R1437 IonicContact OE2-NH1 2.79Å; E1368-R1437 PolarHBondContact OE2-NH1 3.42Å; E1368-R1437 VanDerWaalsContact OE2-NH1 3.13Å |
| 1369 | M | 86.1 | Confident | 81.7 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.1 | -36.9 | 179.3 | -170 | 54.5 | 70.4 | 0 | 0 | 112.8 | F1303 W1306 W1314 W1318 A1365 V1366 H1367 F1372 T1373 I1403 | F1303-M1369 HydrophobicContact CB-CG 4.26Å; F1303-M1369 HydrophobicContact CD2-CB 3.93Å; F1303-M1369 HydrophobicContact CD2-CG 3.2Å; F1303-M1369 HydrophobicContact CE2-CB 4.1Å; F1303-M1369 HydrophobicContact CE2-CG 3.67Å; F1303-M1369 HydrophobicContact CG-CB 4.43Å; F1303-M1369 HydrophobicContact CG-CG 3.94Å; W1306-M1369 HydrophobicContact CH2-CE 4Å; W1306-M1369 HydrophobicContact CH2-CG 3.91Å; W1306-M1369 HydrophobicContact CH2-SD 3.58Å; W1306-M1369 VanDerWaalsContact CH2-SD 3.58Å; W1306-M1369 HydrophobicContact CZ2-CG 4.46Å; W1306-M1369 HydrophobicContact CZ2-SD 4.09Å; W1306-M1369 HydrophobicContact CZ3-CG 4.2Å; W1306-M1369 HydrophobicContact CZ3-SD 4.37Å; W1314-M1369 HydrophobicContact CZ2-CB 4.18Å; W1318-M1369 HydrophobicContact CE3-CE 3.67Å; W1318-M1369 HydrophobicContact CZ3-CE 3.77Å; A1365-M1369 WeakPolarHBondContact O-CB 3.43Å; A1365-M1369 PolarHBondContact O-N 3.44Å; V1366-M1369 PolarHBondContact O-N 3.49Å; H1367-M1369 VanDerWaalsContact C-N 3.34Å; H1367-M1369 PolarHBondContact O-N 3.1Å; M1369-F1372 PolarHBondContact O-N 3.35Å; M1369-F1372 HydrophobicContact SD-CD1 3.89Å; M1369-T1373 HydrophobicContact CG-CG2 4.36Å; M1369-T1373 WeakPolarHBondContact O-CB 3.34Å; M1369-T1373 WeakPolarHBondContact O-CG2 3.36Å; M1369-T1373 PolarHBondContact O-N 2.82Å; M1369-T1373 PolarHBondContact O-OG1 3.13Å; M1369-T1373 HydrophobicContact SD-CG2 3.94Å; M1369-I1403 HydrophobicContact CE-CG2 3.92Å |
| 1370 | L | 85.6 | Confident | 78.9 | Confident | 54 Ų | 54 | 44.9 Ų | 44.9 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 171.6 | -78.4 | 164.5 | 0 | 0 | 0 | 111 | F1303 T1304 A1340 V1366 H1367 F1372 T1373 A1374 | F1303-L1370 HydrophobicContact CB-CD2 4.04Å; F1303-L1370 HydrophobicContact CB-CG 4.46Å; F1303-L1370 HydrophobicContact CD1-CD2 3.79Å; F1303-L1370 HydrophobicContact CD1-CG 3.87Å; F1303-L1370 HydrophobicContact CG-CD2 4.34Å; F1303-L1370 HydrophobicContact CG-CG 4.45Å; T1304-L1370 HydrophobicContact CG2-CD2 4.11Å; A1340-L1370 HydrophobicContact CB-CD1 4.01Å; A1340-L1370 HydrophobicContact CB-CD2 4.46Å; V1366-L1370 HydrophobicContact CG1-CD1 3.86Å; V1366-L1370 HydrophobicContact CG1-CG 4.46Å; V1366-L1370 WeakPolarHBondContact O-CB 3.46Å; V1366-L1370 WeakPolarHBondContact O-CG 3.49Å; V1366-L1370 PolarHBondContact O-N 2.73Å; H1367-L1370 PolarHBondContact O-N 2.97Å; L1370-F1372 PolarHBondContact O-N 3.37Å; L1370-T1373 PolarHBondContact O-OG1 3.5Å; L1370-A1374 WeakPolarHBondContact O-CB 3.48Å; L1370-A1374 PolarHBondContact O-N 2.88Å |
| 1371 | A | 82.5 | Confident | 76.3 | Confident | 57 Ų | 57 | 49.7 Ų | 49.7 | 47% | 0.471 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1367 E1368 S1375 | H1367-A1371 WeakPolarHBondContact O-CB 3.4Å; H1367-A1371 PolarHBondContact O-N 3.3Å; E1368-A1371 PolarHBondContact O-N 3.42Å; A1371-S1375 PolarHBondContact O-N 2.99Å; A1371-S1375 VanDerWaalsContact O-N 3.17Å |
| 1372 | F | 82.8 | Confident | 73.4 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.8 | -52 | 177.3 | 175.9 | -112.4 | 0 | 0 | 0 | 112.1 | I1297 E1368 M1369 L1370 A1374 S1375 L1376 A1399 I1403 | I1297-F1372 HydrophobicContact CD1-CE1 4.45Å; I1297-F1372 HydrophobicContact CG2-CE1 3.92Å; I1297-F1372 HydrophobicContact CG2-CZ 4.24Å; E1368-F1372 WeakPolarHBondContact O-CB 3.39Å; E1368-F1372 PolarHBondContact O-N 3.3Å; M1369-F1372 PolarHBondContact O-N 3.35Å; M1369-F1372 HydrophobicContact SD-CD1 3.89Å; L1370-F1372 PolarHBondContact O-N 3.37Å; F1372-A1374 VanDerWaalsContact C-N 3.35Å; F1372-A1374 PolarHBondContact O-N 2.9Å; F1372-S1375 WeakPolarHBondContact O-CB 3.31Å; F1372-S1375 PolarHBondContact O-N 3.35Å; F1372-S1375 VanDerWaalsContact O-N 3.15Å; F1372-S1375 PolarHBondContact O-OG 3.29Å; F1372-L1376 HydrophobicContact CD1-CD1 4.31Å; F1372-L1376 HydrophobicContact CE1-CD1 3.78Å; F1372-L1376 HydrophobicContact CZ-CD1 3.94Å; F1372-L1376 HydrophobicContact CZ-CD2 4.4Å; F1372-L1376 HydrophobicContact CZ-CG 4.4Å; F1372-L1376 PolarHBondContact O-N 3.3Å; F1372-A1399 HydrophobicContact CD2-CB 4.1Å; F1372-A1399 HydrophobicContact CE2-CB 3.38Å; F1372-A1399 HydrophobicContact CZ-CB 3.66Å; F1372-I1403 HydrophobicContact CB-CD1 3.74Å; F1372-I1403 HydrophobicContact CD1-CD1 4.48Å; F1372-I1403 HydrophobicContact CD1-CG2 4.24Å; F1372-I1403 HydrophobicContact CD2-CD1 3.5Å; F1372-I1403 VanDerWaalsContact CD2-CD1 3.5Å; F1372-I1403 HydrophobicContact CE2-CD1 4.23Å; F1372-I1403 HydrophobicContact CG-CD1 3.65Å; F1372-I1403 HydrophobicContact CG-CG2 4.41Å |
| 1373 | T | 83.2 | Confident | 70.6 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 3% | 0.025 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.1 | -33.2 | -178.3 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | F1303 W1306 M1369 L1370 S1375 L1376 T1377 | F1303-T1373 HydrophobicContact CB-CG2 4.21Å; F1303-T1373 WeakPolarHBondContact CB-OG1 3.31Å; F1303-T1373 PolarHBondContact N-OG1 2.61Å; F1303-T1373 VanDerWaalsContact N-OG1 3.17Å; W1306-T1373 HydrophobicContact CZ2-CG2 4.01Å; M1369-T1373 HydrophobicContact CG-CG2 4.36Å; M1369-T1373 WeakPolarHBondContact O-CB 3.34Å; M1369-T1373 WeakPolarHBondContact O-CG2 3.36Å; M1369-T1373 PolarHBondContact O-N 2.82Å; M1369-T1373 PolarHBondContact O-OG1 3.13Å; M1369-T1373 HydrophobicContact SD-CG2 3.94Å; L1370-T1373 PolarHBondContact O-OG1 3.5Å; T1373-S1375 VanDerWaalsContact C-N 3.31Å; T1373-S1375 PolarHBondContact O-N 3.05Å; T1373-L1376 PolarHBondContact O-N 3.27Å; T1373-T1377 PolarHBondContact O-N 3.18Å |
| 1374 | A | 77.8 | Confident | 67.6 | Low | 57 Ų | 57 | 64.3 Ų | 64.3 | 47% | 0.471 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1370 F1372 L1376 T1377 G1378 | L1370-A1374 WeakPolarHBondContact O-CB 3.48Å; L1370-A1374 PolarHBondContact O-N 2.88Å; F1372-A1374 VanDerWaalsContact C-N 3.35Å; F1372-A1374 PolarHBondContact O-N 2.9Å; A1374-L1376 VanDerWaalsContact C-N 3.25Å; A1374-L1376 PolarHBondContact O-N 3.43Å; A1374-T1377 PolarHBondContact O-N 3.05Å; A1374-T1377 VanDerWaalsContact O-N 3.16Å; A1374-T1377 PolarHBondContact O-OG1 2.79Å; A1374-G1378 PolarHBondContact O-N 3.26Å |
| 1375 | S | 71.7 | Confident | 64.8 | Low | 76 Ų | 76 | 71.7 Ų | 71.7 | 53% | 0.531 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.8 | -27.8 | 178.3 | 79.8 | 0 | 0 | 0 | 0 | 113.8 | A1371 F1372 T1373 | A1371-S1375 PolarHBondContact O-N 2.99Å; A1371-S1375 VanDerWaalsContact O-N 3.17Å; F1372-S1375 WeakPolarHBondContact O-CB 3.31Å; F1372-S1375 PolarHBondContact O-N 3.35Å; F1372-S1375 VanDerWaalsContact O-N 3.15Å; F1372-S1375 PolarHBondContact O-OG 3.29Å; T1373-S1375 VanDerWaalsContact C-N 3.31Å; T1373-S1375 PolarHBondContact O-N 3.05Å |
| 1376 | L | 71.9 | Confident | 62.1 | Low | 11 Ų | 11 | 79.4 Ų | 79.4 | 6% | 0.058 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -72.9 | -31.9 | 176.3 | -65 | 173.7 | 0 | 0 | 0 | 112.4 | I1297 N1300 F1372 T1373 A1374 Q1395 | I1297-L1376 HydrophobicContact CG2-CD1 4.17Å; N1300-L1376 HydrophobicContact CB-CB 4.47Å; F1372-L1376 HydrophobicContact CD1-CD1 4.31Å; F1372-L1376 HydrophobicContact CE1-CD1 3.78Å; F1372-L1376 HydrophobicContact CZ-CD1 3.94Å; F1372-L1376 HydrophobicContact CZ-CD2 4.4Å; F1372-L1376 HydrophobicContact CZ-CG 4.4Å; F1372-L1376 PolarHBondContact O-N 3.3Å; T1373-L1376 PolarHBondContact O-N 3.27Å; A1374-L1376 VanDerWaalsContact C-N 3.25Å; A1374-L1376 PolarHBondContact O-N 3.43Å; L1376-Q1395 HydrophobicContact CD2-CB 4.47Å |
| 1377 | T | 64.1 | Low | 59.3 | Low | 85 Ų | 85 | 82.1 Ų | 82.1 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -78.2 | -20.3 | -179.1 | 63.7 | 0 | 0 | 0 | 0 | 113.6 | T1373 A1374 T1379 | T1373-T1377 PolarHBondContact O-N 3.18Å; A1374-T1377 PolarHBondContact O-N 3.05Å; A1374-T1377 VanDerWaalsContact O-N 3.16Å; A1374-T1377 PolarHBondContact O-OG1 2.79Å; T1377-T1379 VanDerWaalsContact C-N 3.35Å; T1377-T1379 PolarHBondContact O-N 2.85Å |
| 1378 | G | 52.6 | Low | 56.7 | Low | 63 Ų | 63 | 83.9 Ų | 83.9 | 65% | 0.649 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -2.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | A1374 T1380 | A1374-G1378 PolarHBondContact O-N 3.26Å; G1378-T1380 PolarHBondContact O-N 3.47Å |
| 1379 | T | 47.4 | Very low | 54.3 | Low | 87 Ų | 87 | 88.5 Ų | 88.5 | 53% | 0.534 | 55% | 0.546 | S | S | . | . | trans | -85.2 | 104.3 | 178.6 | 59.4 | 0 | 0 | 0 | 0 | 110.8 | T1377 | T1377-T1379 VanDerWaalsContact C-N 3.35Å; T1377-T1379 PolarHBondContact O-N 2.85Å | ||
| 1380 | T | 34.9 | Very low | 51.9 | Low | 118 Ų | 118 | 91.7 Ų | 91.7 | 72% | 0.724 | 57% | 0.569 | S | S | * | * | trans | -50.7 | 128 | 171.2 | 44.5 | 0 | 0 | 0 | 0 | 111.2 | G1378 N1382 | G1378-T1380 PolarHBondContact O-N 3.47Å; T1380-N1382 PolarHBondContact O-N 2.88Å | ||
| 1381 | P | 39.3 | Very low | 49.7 | Very low | 124 Ų | 124 | 92.7 Ų | 92.7 | 81% | 0.805 | 58% | 0.577 | S | S | * | * | trans | -76.4 | 92.6 | -176.5 | 30.7 | -32.4 | 0 | 0 | 0 | 109.6 | S1383 | P1381-S1383 VanDerWaalsContact C-N 3.28Å; P1381-S1383 PolarHBondContact O-N 3.45Å | ||
| 1382 | N | 33.1 | Very low | 47.6 | Very low | 157 Ų | 157 | 91.9 Ų | 91.9 | 84% | 0.84 | 57% | 0.569 | S | S | * | * | trans | -71.6 | 91.7 | 163.7 | -91.7 | -17.5 | 0 | 0 | 0 | 108.8 | T1380 T1384 | T1380-N1382 PolarHBondContact O-N 2.88Å; N1382-T1384 PolarHBondContact O-N 3.21Å; N1382-T1384 VanDerWaalsContact O-N 3.1Å | ||
| 1383 | S | 32.1 | Very low | 45.2 | Very low | 109 Ų | 109 | 96 Ų | 96 | 76% | 0.762 | 59% | 0.589 | S | S | * | * | trans | -50.6 | 107.6 | 167.7 | 155.6 | 0 | 0 | 0 | 0 | 111.3 | P1381 | P1381-S1383 VanDerWaalsContact C-N 3.28Å; P1381-S1383 PolarHBondContact O-N 3.45Å | ||
| 1384 | T | 30.9 | Very low | 43.3 | Very low | 118 Ų | 118 | 100.5 Ų | 100.5 | 72% | 0.724 | 61% | 0.608 | S | S | * | * | trans | -168.2 | 106.3 | 136.5 | 7.2 | 0 | 0 | 0 | 0 | 113.5 | N1382 | N1382-T1384 PolarHBondContact O-N 3.21Å; N1382-T1384 VanDerWaalsContact O-N 3.1Å | ||
| 1385 | K | 32.2 | Very low | 41.6 | Very low | 182 Ų | 182 | 100.7 Ų | 100.7 | 79% | 0.791 | 60% | 0.6 | S | S | * | * | trans | 69.9 | 98.8 | 144.2 | -62.4 | 178 | -178.9 | -177.3 | 0 | 119.5 | ||||
| 1386 | N | 32.5 | Very low | 40.3 | Very low | 164 Ų | 164 | 98 Ų | 98 | 88% | 0.877 | 58% | 0.579 | S | S | * | * | S | Bend | 60.9 | 85.4 | 129.8 | -56.6 | -2.5 | 0 | 0 | 0 | 117.9 | |||
| 1387 | G | 32.1 | Very low | 38.9 | Very low | 68 Ų | 68 | 104 Ų | 104 | 70% | 0.701 | 61% | 0.607 | S | S | * | * | trans | 168.4 | 36.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1388 | E | 31.6 | Very low | 37.6 | Very low | 170 Ų | 170 | 105.4 Ų | 105.4 | 79% | 0.794 | 61% | 0.61 | S | S | * | * | trans | -113.9 | 87.1 | -164.9 | -69.6 | 179.5 | 160.2 | 0 | 0 | 113 | ||||
| 1389 | T | 37 | Very low | 37.5 | Very low | 133 Ų | 133 | 102.8 Ų | 102.8 | 82% | 0.816 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -128.2 | -7.9 | 148.7 | 52 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1390 | S | 34.9 | Very low | 38 | Very low | 70 Ų | 70 | 101.5 Ų | 101.5 | 49% | 0.49 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -88.3 | -19.8 | -176 | -150.4 | 0 | 0 | 0 | 0 | 113.7 | K1394 | S1390-K1394 WeakPolarHBondContact O-CG 3.46Å; S1390-K1394 PolarHBondContact O-N 3.03Å |
| 1391 | T | 38.3 | Very low | 39.1 | Very low | 75 Ų | 75 | 97 Ų | 97 | 46% | 0.46 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -77.4 | -41.7 | -173.9 | -31.5 | 0 | 0 | 0 | 0 | 113 | K1394 Q1395 | T1391-K1394 PolarHBondContact O-N 2.89Å; T1391-Q1395 PolarHBondContact O-N 3.48Å |
| 1392 | S | 39.3 | Very low | 40.1 | Very low | 41 Ų | 41 | 92.3 Ų | 92.3 | 29% | 0.287 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.5 | -35.4 | 178.8 | -55.2 | 0 | 0 | 0 | 0 | 112.9 | Q1395 L1396 | S1392-Q1395 PolarHBondContact O-N 2.93Å; S1392-L1396 PolarHBondContact O-N 3.08Å |
| 1393 | M | 33.2 | Very low | 41.3 | Very low | 104 Ų | 104 | 85.2 Ų | 85.2 | 51% | 0.512 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.1 | -34 | 176.3 | -146.1 | -162.4 | -63.5 | 0 | 0 | 111.7 | L1396 H1397 | M1393-L1396 PolarHBondContact O-N 2.8Å; M1393-H1397 PolarHBondContact O-N 3.24Å; M1393-H1397 VanDerWaalsContact O-N 3.14Å |
| 1394 | K | 42.5 | Very low | 42.7 | Very low | 99 Ų | 99 | 82.2 Ų | 82.2 | 43% | 0.43 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 168.8 | -75.5 | 178.7 | -177.8 | -177.9 | 0 | 110.6 | S1390 T1391 L1396 H1397 L1398 E1656 | S1390-K1394 WeakPolarHBondContact O-CG 3.46Å; S1390-K1394 PolarHBondContact O-N 3.03Å; T1391-K1394 PolarHBondContact O-N 2.89Å; K1394-L1396 VanDerWaalsContact C-N 3.35Å; K1394-L1396 PolarHBondContact O-N 3.19Å; K1394-H1397 CarbonylContact O-C 3.53Å; K1394-H1397 WeakPolarHBondContact O-CA 3.4Å; K1394-H1397 WeakPolarHBondContact O-CB 3.43Å; K1394-H1397 PolarHBondContact O-N 3.3Å; K1394-L1398 WeakPolarHBondContact O-CD1 3.49Å; K1394-L1398 PolarHBondContact O-N 2.9Å; K1394-L1398 VanDerWaalsContact O-N 3.08Å; K1394-E1656 IonicContact NZ-OE1 2.84Å; K1394-E1656 PolarHBondContact NZ-OE1 2.9Å |
| 1395 | Q | 42.8 | Very low | 44.4 | Very low | 61 Ų | 61 | 77 Ų | 77 | 29% | 0.285 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.6 | -36 | 174.5 | -84.8 | 177.1 | 3.4 | 0 | 0 | 113.5 | L1376 T1391 S1392 H1397 L1398 A1399 | L1376-Q1395 HydrophobicContact CD2-CB 4.47Å; T1391-Q1395 PolarHBondContact O-N 3.48Å; S1392-Q1395 PolarHBondContact O-N 2.93Å; Q1395-H1397 PolarHBondContact O-N 3.33Å; Q1395-L1398 CarbonylContact O-C 3.48Å; Q1395-L1398 WeakPolarHBondContact O-CA 3.35Å; Q1395-L1398 WeakPolarHBondContact O-CB 3.39Å; Q1395-L1398 PolarHBondContact O-N 2.93Å; Q1395-A1399 PolarHBondContact O-N 3.06Å |
| 1396 | L | 42.6 | Very low | 46.3 | Very low | 18 Ų | 18 | 71.6 Ų | 71.6 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.2 | -29.8 | 171.6 | -146.3 | 160.9 | 0 | 0 | 0 | 111.5 | E1294 I1297 W1318 S1392 M1393 K1394 L1398 A1399 K1404 | E1294-L1396 HydrophobicContact CG-CD1 4.48Å; I1297-L1396 HydrophobicContact CB-CD1 4.39Å; I1297-L1396 HydrophobicContact CG2-CD1 3.96Å; I1297-L1396 HydrophobicContact CG2-CG 4.27Å; W1318-L1396 HydrophobicContact CH2-CD2 4.19Å; W1318-L1396 HydrophobicContact CZ2-CD2 4.44Å; S1392-L1396 PolarHBondContact O-N 3.08Å; M1393-L1396 PolarHBondContact O-N 2.8Å; K1394-L1396 VanDerWaalsContact C-N 3.35Å; K1394-L1396 PolarHBondContact O-N 3.19Å; L1396-L1398 VanDerWaalsContact C-N 3.3Å; L1396-A1399 WeakPolarHBondContact O-CB 3.5Å; L1396-A1399 PolarHBondContact O-N 3.26Å; L1396-K1404 HydrophobicContact CD2-CG 4.33Å; L1396-K1404 WeakPolarHBondContact O-CE 3.3Å |
| 1397 | H | 43.3 | Very low | 48.7 | Very low | 139 Ų | 139 | 64.1 Ų | 64.1 | 64% | 0.644 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -72.7 | -19.9 | 169.7 | -124.7 | -78 | 0 | 0 | 0 | 113.9 | M1393 K1394 Q1395 | M1393-H1397 PolarHBondContact O-N 3.24Å; M1393-H1397 VanDerWaalsContact O-N 3.14Å; K1394-H1397 CarbonylContact O-C 3.53Å; K1394-H1397 WeakPolarHBondContact O-CA 3.4Å; K1394-H1397 WeakPolarHBondContact O-CB 3.43Å; K1394-H1397 PolarHBondContact O-N 3.3Å; Q1395-H1397 PolarHBondContact O-N 3.33Å |
| 1398 | L | 37.5 | Very low | 51.4 | Low | 114 Ų | 114 | 62.4 Ų | 62.4 | 60% | 0.597 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -89.1 | -16.5 | 171.7 | -82.4 | 99.8 | 0 | 0 | 0 | 113.3 | K1394 Q1395 L1396 S1400 | K1394-L1398 WeakPolarHBondContact O-CD1 3.49Å; K1394-L1398 PolarHBondContact O-N 2.9Å; K1394-L1398 VanDerWaalsContact O-N 3.08Å; Q1395-L1398 CarbonylContact O-C 3.48Å; Q1395-L1398 WeakPolarHBondContact O-CA 3.35Å; Q1395-L1398 WeakPolarHBondContact O-CB 3.39Å; Q1395-L1398 PolarHBondContact O-N 2.93Å; L1396-L1398 VanDerWaalsContact C-N 3.3Å; L1398-S1400 PolarHBondContact O-N 3.26Å |
| 1399 | A | 50.1 | Low | 54.2 | Low | 7 Ų | 7 | 55.2 Ų | 55.2 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -55 | 128.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | F1372 Q1395 L1396 I1403 | F1372-A1399 HydrophobicContact CD2-CB 4.1Å; F1372-A1399 HydrophobicContact CE2-CB 3.38Å; F1372-A1399 HydrophobicContact CZ-CB 3.66Å; Q1395-A1399 PolarHBondContact O-N 3.06Å; L1396-A1399 WeakPolarHBondContact O-CB 3.5Å; L1396-A1399 PolarHBondContact O-N 3.26Å; A1399-I1403 HydrophobicContact CB-CB 4.25Å; A1399-I1403 HydrophobicContact CB-CD1 3.96Å; A1399-I1403 HydrophobicContact CB-CG2 4.3Å |
| 1400 | S | 58 | Low | 56.8 | Low | 61 Ų | 61 | 54 Ų | 54 | 43% | 0.427 | 29% | 0.286 | S | S | . | . | trans | -45 | 137.9 | 177.7 | -60.5 | 0 | 0 | 0 | 0 | 110.2 | L1398 L1402 I1403 | L1398-S1400 PolarHBondContact O-N 3.26Å; S1400-L1402 PolarHBondContact O-N 2.97Å; S1400-I1403 VanDerWaalsContact O-CB 3.28Å; S1400-I1403 WeakPolarHBondContact O-CB 3.25Å; S1400-I1403 PolarHBondContact O-N 2.82Å | ||
| 1401 | P | 57.5 | Low | 59.5 | Low | 22 Ų | 22 | 51 Ų | 51 | 14% | 0.143 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -27.7 | -179.7 | -26.4 | 33.2 | 0 | 0 | 0 | 113.8 | I1403 K1404 Y1474 | P1401-I1403 VanDerWaalsContact C-N 3.29Å; P1401-I1403 PolarHBondContact O-N 2.84Å; P1401-K1404 PolarHBondContact O-N 3.03Å; P1401-Y1474 VanDerWaalsContact CB-O 3.23Å; P1401-Y1474 WeakPolarHBondContact CB-O 3.48Å; P1401-Y1474 WeakPolarHBondContact CG-O 3.3Å |
| 1402 | L | 61.5 | Low | 62.1 | Low | 27 Ų | 27 | 47.4 Ų | 47.4 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34.8 | 172.9 | -64.2 | 106.5 | 0 | 0 | 0 | 113.1 | E1368 S1400 G1405 L1407 A1436 R1437 Y1474 | E1368-L1402 WeakPolarHBondContact OE1-CB 3.28Å; S1400-L1402 PolarHBondContact O-N 2.97Å; L1402-G1405 PolarHBondContact O-N 3.41Å; L1402-L1407 HydrophobicContact CG-CD1 4.47Å; L1402-A1436 HydrophobicContact CD2-CB 4.25Å; L1402-R1437 HydrophobicContact CB-CG 4.03Å; L1402-R1437 HydrophobicContact CD2-CB 4.25Å; L1402-R1437 HydrophobicContact CD2-CG 3.44Å; L1402-R1437 VanDerWaalsContact CD2-CG 3.44Å; L1402-R1437 HydrophobicContact CG-CG 4.33Å; L1402-Y1474 HydrophobicContact CD1-CD2 4.18Å; L1402-Y1474 HydrophobicContact CD1-CG 3.95Å; L1402-Y1474 HydrophobicContact CD2-CD1 4.39Å; L1402-Y1474 HydrophobicContact CD2-CG 4.44Å; L1402-Y1474 HydrophobicContact CG-CG 4.45Å |
| 1403 | I | 58 | Low | 64.7 | Low | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -41.8 | 179.7 | -61 | 172.5 | 0 | 0 | 0 | 110.8 | W1318 E1368 M1369 F1372 A1399 S1400 P1401 G1405 | W1318-I1403 HydrophobicContact CE3-CG2 4.05Å; W1318-I1403 HydrophobicContact CZ3-CG2 3.61Å; E1368-I1403 HydrophobicContact CG-CD1 4.48Å; E1368-I1403 HydrophobicContact CG-CG1 3.8Å; E1368-I1403 VanDerWaalsContact OE1-CG1 3.3Å; E1368-I1403 WeakPolarHBondContact OE1-CG1 3.3Å; E1368-I1403 PolarHBondContact OE1-N 2.83Å; M1369-I1403 HydrophobicContact CE-CG2 3.92Å; F1372-I1403 HydrophobicContact CB-CD1 3.74Å; F1372-I1403 HydrophobicContact CD1-CD1 4.48Å; F1372-I1403 HydrophobicContact CD1-CG2 4.24Å; F1372-I1403 HydrophobicContact CD2-CD1 3.5Å; F1372-I1403 VanDerWaalsContact CD2-CD1 3.5Å; F1372-I1403 HydrophobicContact CE2-CD1 4.23Å; F1372-I1403 HydrophobicContact CG-CD1 3.65Å; F1372-I1403 HydrophobicContact CG-CG2 4.41Å; A1399-I1403 HydrophobicContact CB-CB 4.25Å; A1399-I1403 HydrophobicContact CB-CD1 3.96Å; A1399-I1403 HydrophobicContact CB-CG2 4.3Å; S1400-I1403 VanDerWaalsContact O-CB 3.28Å; S1400-I1403 WeakPolarHBondContact O-CB 3.25Å; S1400-I1403 PolarHBondContact O-N 2.82Å; P1401-I1403 VanDerWaalsContact C-N 3.29Å; P1401-I1403 PolarHBondContact O-N 2.84Å; I1403-G1405 PolarHBondContact O-N 3.07Å |
| 1404 | K | 60.1 | Low | 67.5 | Low | 46 Ų | 46 | 44.1 Ų | 44.1 | 20% | 0.2 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -9.9 | -179.5 | -72 | -177.2 | 179.7 | 176.1 | 0 | 113.6 | L1396 P1401 E1406 | L1396-K1404 HydrophobicContact CD2-CG 4.33Å; L1396-K1404 WeakPolarHBondContact O-CE 3.3Å; P1401-K1404 PolarHBondContact O-N 3.03Å; K1404-E1406 VanDerWaalsContact C-N 3.26Å; K1404-E1406 HydrophobicContact CB-CG 4.08Å; K1404-E1406 PolarHBondContact O-N 3.42Å |
| 1405 | G | 66.7 | Low | 69.9 | Low | 7 Ų | 7 | 42.8 Ų | 42.8 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 14.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | W1318 L1402 I1403 L1407 N1408 | W1318-G1405 WeakPolarHBondContact O-CA 3.44Å; L1402-G1405 PolarHBondContact O-N 3.41Å; I1403-G1405 PolarHBondContact O-N 3.07Å; G1405-L1407 PolarHBondContact O-N 2.96Å; G1405-N1408 WeakPolarHBondContact O-CB 3.23Å; G1405-N1408 PolarHBondContact O-N 3.33Å |
| 1406 | E | 73 | Confident | 72.4 | Confident | 70 Ų | 70 | 40 Ų | 40 | 33% | 0.327 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -25.1 | 179.8 | -68.5 | 179.9 | -173.5 | 0 | 0 | 112.4 | K1404 R1476 | K1404-E1406 VanDerWaalsContact C-N 3.26Å; K1404-E1406 HydrophobicContact CB-CG 4.08Å; K1404-E1406 PolarHBondContact O-N 3.42Å; E1406-R1476 WeakPolarHBondContact O-CD 3.41Å; E1406-R1476 PolarHBondContact O-NH1 3.15Å |
| 1407 | L | 83.2 | Confident | 75 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 46.1 | 177.7 | -65.3 | 172.3 | 0 | 0 | 0 | 112.1 | L1402 G1405 W1411 A1436 Y1474 R1476 | L1402-L1407 HydrophobicContact CG-CD1 4.47Å; G1405-L1407 PolarHBondContact O-N 2.96Å; L1407-W1411 HydrophobicContact CD2-CD2 3.98Å; L1407-W1411 HydrophobicContact CD2-CE3 3.41Å; L1407-W1411 VanDerWaalsContact CD2-CE3 3.41Å; L1407-W1411 HydrophobicContact CD2-CH2 3.61Å; L1407-W1411 HydrophobicContact CD2-CZ2 4.16Å; L1407-W1411 HydrophobicContact CD2-CZ3 3.21Å; L1407-A1436 HydrophobicContact CB-CB 3.57Å; L1407-A1436 HydrophobicContact CD1-CB 3.91Å; L1407-A1436 HydrophobicContact CG-CB 4.34Å; L1407-A1436 PolarHBondContact O-N 2.9Å; L1407-Y1474 HydrophobicContact CD1-CD1 4.25Å; L1407-Y1474 HydrophobicContact CD1-CG 4.47Å; L1407-Y1474 WeakPolarHBondContact CD1-O 3.36Å; L1407-R1476 HydrophobicContact CD2-CB 3.86Å; L1407-R1476 HydrophobicContact CD2-CG 4.38Å; L1407-R1476 HydrophobicContact CG-CB 4.37Å |
| 1408 | N | 87.7 | Confident | 77.4 | Confident | 33 Ų | 33 | 34.2 Ų | 34.2 | 18% | 0.176 | 19% | 0.186 | C | C | . | . | trans | -70.9 | 174.2 | 177.9 | 68.6 | 19.6 | 0 | 0 | 0 | 112.4 | G1405 E1410 W1411 I1412 | G1405-N1408 WeakPolarHBondContact O-CB 3.23Å; G1405-N1408 PolarHBondContact O-N 3.33Å; N1408-E1410 PolarHBondContact O-N 3.14Å; N1408-E1410 WeakPolarHBondContact OD1-CA 3.46Å; N1408-E1410 WeakPolarHBondContact OD1-CB 2.95Å; N1408-E1410 PolarHBondContact OD1-N 2.97Å; N1408-E1410 VanDerWaalsContact OD1-N 3.08Å; N1408-W1411 PolarHBondContact O-N 3.04Å; N1408-W1411 VanDerWaalsContact O-N 3.13Å; N1408-W1411 PolarHBondContact OD1-N 2.9Å; N1408-I1412 WeakPolarHBondContact O-CG1 3.38Å; N1408-I1412 PolarHBondContact O-N 3.45Å | ||
| 1409 | H | 91.2 | Very high | 80.2 | Confident | 18 Ų | 18 | 29.1 Ų | 29.1 | 8% | 0.083 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.7 | -29.2 | 177.3 | 66.4 | -65 | 0 | 0 | 0 | 114.8 | G1320 K1361 G1413 L1433 V1434 | G1320-H1409 PolarHBondContact O-CE1 3.13Å; G1320-H1409 PolarHBondContact O-ND1 3.28Å; K1361-H1409 PolarHBondContact NZ-ND1 3.18Å; K1361-H1409 VanDerWaalsContact NZ-ND1 3.18Å; H1409-G1413 PolarHBondContact O-N 3.42Å; H1409-L1433 VanDerWaalsContact CB-C 3.46Å; H1409-L1433 WeakPolarHBondContact CB-O 3.43Å; H1409-L1433 VanDerWaalsContact CD2-CD2 3.48Å; H1409-L1433 WeakPolarHBondContact CD2-CD2 3.49Å; H1409-V1434 WeakPolarHBondContact CA-O 3.38Å; H1409-V1434 VanDerWaalsContact CB-O 3.23Å; H1409-V1434 WeakPolarHBondContact CB-O 3.46Å |
| 1410 | E | 91 | Very high | 82.4 | Confident | 107 Ų | 107 | 29 Ų | 29 | 50% | 0.5 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -68.8 | -41.5 | 173.9 | -58.9 | -174.1 | 154 | 0 | 0 | 111.3 | N1408 N1414 M1430 | N1408-E1410 PolarHBondContact O-N 3.14Å; N1408-E1410 WeakPolarHBondContact OD1-CA 3.46Å; N1408-E1410 WeakPolarHBondContact OD1-CB 2.95Å; N1408-E1410 PolarHBondContact OD1-N 2.97Å; N1408-E1410 VanDerWaalsContact OD1-N 3.08Å; E1410-N1414 WeakPolarHBondContact O-CA 3.41Å; E1410-N1414 PolarHBondContact O-N 2.88Å; E1410-N1414 PolarHBondContact O-ND2 3.43Å; E1410-M1430 HydrophobicContact CG-CE 4.25Å |
| 1411 | W | 91.5 | Very high | 84.2 | Confident | 7 Ų | 7 | 26.1 Ų | 26.1 | 3% | 0.027 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.2 | -43.1 | 175.6 | -176.5 | 85.7 | 0 | 0 | 0 | 111.3 | L1407 N1408 V1415 W1416 L1469 R1476 I1479 E1480 | L1407-W1411 HydrophobicContact CD2-CD2 3.98Å; L1407-W1411 HydrophobicContact CD2-CE3 3.41Å; L1407-W1411 VanDerWaalsContact CD2-CE3 3.41Å; L1407-W1411 HydrophobicContact CD2-CH2 3.61Å; L1407-W1411 HydrophobicContact CD2-CZ2 4.16Å; L1407-W1411 HydrophobicContact CD2-CZ3 3.21Å; N1408-W1411 PolarHBondContact O-N 3.04Å; N1408-W1411 VanDerWaalsContact O-N 3.13Å; N1408-W1411 PolarHBondContact OD1-N 2.9Å; W1411-V1415 HydrophobicContact CG-CB 4.45Å; W1411-V1415 PolarHBondContact O-N 2.98Å; W1411-W1416 HydrophobicContact CD2-CB 4.29Å; W1411-W1416 HydrophobicContact CE3-CB 3.76Å; W1411-W1416 HydrophobicContact CE3-CG 4.41Å; W1411-W1416 HydrophobicContact CH2-CB 3.71Å; W1411-W1416 AromaticContact CH2-CD1 3.6Å; W1411-W1416 AromaticContact CH2-CG 3.83Å; W1411-W1416 HydrophobicContact CH2-CG 3.83Å; W1411-W1416 HydrophobicContact CZ2-CB 4.23Å; W1411-W1416 HydrophobicContact CZ3-CB 3.43Å; W1411-W1416 VanDerWaalsContact CZ3-CB 3.43Å; W1411-W1416 AromaticContact CZ3-CD1 3.84Å; W1411-W1416 HydrophobicContact CZ3-CD2 4.48Å; W1411-W1416 AromaticContact CZ3-CG 3.64Å; W1411-W1416 HydrophobicContact CZ3-CG 3.64Å; W1411-W1416 PolarHBondContact O-N 3.41Å; W1411-L1469 HydrophobicContact CH2-CD2 4.14Å; W1411-L1469 HydrophobicContact CZ3-CD2 4.49Å; W1411-R1476 HydrophobicContact CZ2-CG 4.11Å; W1411-I1479 HydrophobicContact CH2-CG2 4.43Å; W1411-I1479 HydrophobicContact CZ2-CG2 4.22Å; W1411-E1480 PolarHBondContact NE1-OE1 3.23Å |
| 1412 | I | 93.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -58.4 | -51.8 | 177.6 | -70.3 | -64.9 | 0 | 0 | 0 | 111 | N1408 W1416 L1417 F1429 A1436 L1439 | N1408-I1412 WeakPolarHBondContact O-CG1 3.38Å; N1408-I1412 PolarHBondContact O-N 3.45Å; I1412-W1416 HydrophobicContact CD1-CB 4.36Å; I1412-W1416 HydrophobicContact CD1-CD2 4Å; I1412-W1416 HydrophobicContact CD1-CE3 3.67Å; I1412-W1416 HydrophobicContact CD1-CG 4.33Å; I1412-W1416 HydrophobicContact CD1-CZ3 4.24Å; I1412-W1416 HydrophobicContact CG2-CE3 4.02Å; I1412-W1416 HydrophobicContact CG2-CZ3 4.35Å; I1412-L1417 WeakPolarHBondContact O-CB 3.33Å; I1412-L1417 PolarHBondContact O-N 3.26Å; I1412-F1429 HydrophobicContact CG2-CD1 4.06Å; I1412-A1436 HydrophobicContact CD1-CB 4.21Å; I1412-L1439 HydrophobicContact CD1-CD1 3.99Å |
| 1413 | G | 93.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -78.8 | -36.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | H1409 P1418 R1426 | H1409-G1413 PolarHBondContact O-N 3.42Å; G1413-P1418 WeakPolarHBondContact O-CD 3.19Å; G1413-R1426 VanDerWaalsContact O-CD 3.26Å; G1413-R1426 WeakPolarHBondContact O-CD 3.38Å; G1413-R1426 VanDerWaalsContact O-CG 3.3Å; G1413-R1426 WeakPolarHBondContact O-CG 3.34Å; G1413-R1426 PolarHBondContact O-NH1 3.2Å |
| 1414 | N | 92.7 | Very high | 89.4 | Confident | 77 Ų | 77 | 32.2 Ų | 32.2 | 41% | 0.412 | 17% | 0.165 | S | C | . | . | I | π-helix | trans | -56 | -57.2 | 175.4 | 62.2 | -161.7 | 0 | 0 | 0 | 115.4 | E1410 P1418 R1426 | E1410-N1414 WeakPolarHBondContact O-CA 3.41Å; E1410-N1414 PolarHBondContact O-N 2.88Å; E1410-N1414 PolarHBondContact O-ND2 3.43Å; N1414-P1418 WeakPolarHBondContact O-CG 3.16Å; N1414-R1426 VanDerWaalsContact N-NH1 3.16Å; N1414-R1426 PolarHBondContact OD1-NH1 3.11Å; N1414-R1426 VanDerWaalsContact OD1-NH1 3.13Å; N1414-R1426 PolarHBondContact OD1-NH2 3.43Å |
| 1415 | V | 92.9 | Very high | 91.1 | Very high | 71 Ų | 71 | 30.9 Ų | 30.9 | 43% | 0.43 | 16% | 0.159 | S | C | . | . | I | π-helix | trans | -127 | -52.7 | -154.5 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | W1411 S1419 | W1411-V1415 HydrophobicContact CG-CB 4.45Å; W1411-V1415 PolarHBondContact O-N 2.98Å; V1415-S1419 VanDerWaalsContact O-CB 3.28Å; V1415-S1419 WeakPolarHBondContact O-CB 3.5Å; V1415-S1419 PolarHBondContact O-N 3.36Å; V1415-S1419 VanDerWaalsContact O-N 3.08Å; V1415-S1419 PolarHBondContact O-OG 3.08Å |
| 1416 | W | 95.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -71 | -50 | -173.5 | -178.7 | 74.5 | 0 | 0 | 0 | 112.7 | W1411 I1412 S1419 L1420 L1439 L1462 I1466 L1469 | W1411-W1416 HydrophobicContact CD2-CB 4.29Å; W1411-W1416 HydrophobicContact CE3-CB 3.76Å; W1411-W1416 HydrophobicContact CE3-CG 4.41Å; W1411-W1416 HydrophobicContact CH2-CB 3.71Å; W1411-W1416 AromaticContact CH2-CD1 3.6Å; W1411-W1416 AromaticContact CH2-CG 3.83Å; W1411-W1416 HydrophobicContact CH2-CG 3.83Å; W1411-W1416 HydrophobicContact CZ2-CB 4.23Å; W1411-W1416 HydrophobicContact CZ3-CB 3.43Å; W1411-W1416 VanDerWaalsContact CZ3-CB 3.43Å; W1411-W1416 AromaticContact CZ3-CD1 3.84Å; W1411-W1416 HydrophobicContact CZ3-CD2 4.48Å; W1411-W1416 AromaticContact CZ3-CG 3.64Å; W1411-W1416 HydrophobicContact CZ3-CG 3.64Å; W1411-W1416 PolarHBondContact O-N 3.41Å; I1412-W1416 HydrophobicContact CD1-CB 4.36Å; I1412-W1416 HydrophobicContact CD1-CD2 4Å; I1412-W1416 HydrophobicContact CD1-CE3 3.67Å; I1412-W1416 HydrophobicContact CD1-CG 4.33Å; I1412-W1416 HydrophobicContact CD1-CZ3 4.24Å; I1412-W1416 HydrophobicContact CG2-CE3 4.02Å; I1412-W1416 HydrophobicContact CG2-CZ3 4.35Å; W1416-S1419 WeakPolarHBondContact O-CA 3.38Å; W1416-S1419 WeakPolarHBondContact O-CB 3.2Å; W1416-S1419 PolarHBondContact O-N 3.09Å; W1416-S1419 PolarHBondContact O-OG 3.4Å; W1416-L1420 HydrophobicContact CD2-CD1 4.27Å; W1416-L1420 HydrophobicContact CE3-CD1 4.37Å; W1416-L1420 HydrophobicContact CH2-CD1 3.85Å; W1416-L1420 HydrophobicContact CZ2-CD1 3.72Å; W1416-L1420 HydrophobicContact CZ3-CD1 4.17Å; W1416-L1420 PolarHBondContact O-N 2.89Å; W1416-L1439 HydrophobicContact CH2-CD1 3.66Å; W1416-L1439 HydrophobicContact CH2-CD2 4.15Å; W1416-L1439 HydrophobicContact CZ2-CD1 4.26Å; W1416-L1439 HydrophobicContact CZ3-CD1 3.84Å; W1416-L1439 HydrophobicContact CZ3-CD2 3.93Å; W1416-L1462 HydrophobicContact CH2-CD1 3.74Å; W1416-L1462 HydrophobicContact CZ3-CD1 3.81Å; W1416-I1466 HydrophobicContact CH2-CG1 3.92Å; W1416-I1466 HydrophobicContact CZ2-CG1 4.43Å; W1416-L1469 HydrophobicContact CD2-CD1 4.12Å; W1416-L1469 HydrophobicContact CH2-CD1 4.15Å; W1416-L1469 HydrophobicContact CZ2-CD1 3.38Å; W1416-L1469 HydrophobicContact CZ2-CG 3.92Å |
| 1417 | L | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | -178.3 | -169.6 | 76.3 | 0 | 0 | 0 | 112.6 | I1412 S1419 L1420 L1422 R1426 F1429 L1462 | I1412-L1417 WeakPolarHBondContact O-CB 3.33Å; I1412-L1417 PolarHBondContact O-N 3.26Å; L1417-S1419 VanDerWaalsContact C-N 3.29Å; L1417-S1419 PolarHBondContact O-N 2.9Å; L1417-L1420 PolarHBondContact O-N 3.42Å; L1417-L1420 VanDerWaalsContact O-N 3.15Å; L1417-L1422 HydrophobicContact CD1-CB 3.8Å; L1417-L1422 HydrophobicContact CD1-CD1 4.22Å; L1417-L1422 HydrophobicContact CG-CB 3.94Å; L1417-L1422 WeakPolarHBondContact CG-O 3.23Å; L1417-L1422 PolarHBondContact O-N 3.08Å; L1417-L1422 VanDerWaalsContact O-N 3.15Å; L1417-R1426 HydrophobicContact CD2-CB 4.48Å; L1417-F1429 HydrophobicContact CD1-CE1 4.41Å; L1417-F1429 HydrophobicContact CD1-CZ 4.33Å; L1417-F1429 HydrophobicContact CD2-CB 4.22Å; L1417-F1429 HydrophobicContact CD2-CD1 4.38Å; L1417-F1429 HydrophobicContact CD2-CD2 3.94Å; L1417-F1429 HydrophobicContact CD2-CE2 4.41Å; L1417-F1429 HydrophobicContact CD2-CG 3.92Å; L1417-L1462 HydrophobicContact CD1-CD1 4.1Å |
| 1418 | P | 95.6 | Very high | 94.1 | Very high | 35 Ų | 35 | 34.4 Ų | 34.4 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60 | -36.1 | 169 | -26.9 | 38 | 0 | 0 | 0 | 113.3 | G1413 N1414 L1420 G1421 A1423 | G1413-P1418 WeakPolarHBondContact O-CD 3.19Å; N1414-P1418 WeakPolarHBondContact O-CG 3.16Å; P1418-L1420 PolarHBondContact O-N 2.8Å; P1418-G1421 WeakPolarHBondContact O-CA 3.38Å; P1418-G1421 PolarHBondContact O-N 3.47Å; P1418-A1423 HydrophobicContact CB-CB 4.04Å; P1418-A1423 HydrophobicContact CG-CB 4.14Å |
| 1419 | S | 95.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.4 | -18.2 | 177.2 | 80.2 | 0 | 0 | 0 | 0 | 114.2 | V1415 W1416 L1417 G1421 R1483 S1497 N1498 | V1415-S1419 VanDerWaalsContact O-CB 3.28Å; V1415-S1419 WeakPolarHBondContact O-CB 3.5Å; V1415-S1419 PolarHBondContact O-N 3.36Å; V1415-S1419 VanDerWaalsContact O-N 3.08Å; V1415-S1419 PolarHBondContact O-OG 3.08Å; W1416-S1419 WeakPolarHBondContact O-CA 3.38Å; W1416-S1419 WeakPolarHBondContact O-CB 3.2Å; W1416-S1419 PolarHBondContact O-N 3.09Å; W1416-S1419 PolarHBondContact O-OG 3.4Å; L1417-S1419 VanDerWaalsContact C-N 3.29Å; L1417-S1419 PolarHBondContact O-N 2.9Å; S1419-G1421 VanDerWaalsContact C-N 3.33Å; S1419-R1483 VanDerWaalsContact CB-NH1 3.35Å; S1419-R1483 PolarHBondContact OG-NH1 3.35Å; S1419-R1483 PolarHBondContact OG-NH2 2.98Å; S1419-S1497 CarbonylContact O-C 3.49Å; S1419-S1497 VanDerWaalsContact O-CA 3.26Å; S1419-S1497 WeakPolarHBondContact O-CA 3.47Å; S1419-N1498 PolarHBondContact O-N 3.2Å |
| 1420 | L | 96.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.5 | 171.4 | -56.9 | -177.2 | 0 | 0 | 0 | 112.7 | W1416 L1417 P1418 L1422 L1462 G1521 H1523 | W1416-L1420 HydrophobicContact CD2-CD1 4.27Å; W1416-L1420 HydrophobicContact CE3-CD1 4.37Å; W1416-L1420 HydrophobicContact CH2-CD1 3.85Å; W1416-L1420 HydrophobicContact CZ2-CD1 3.72Å; W1416-L1420 HydrophobicContact CZ3-CD1 4.17Å; W1416-L1420 PolarHBondContact O-N 2.89Å; L1417-L1420 PolarHBondContact O-N 3.42Å; L1417-L1420 VanDerWaalsContact O-N 3.15Å; P1418-L1420 PolarHBondContact O-N 2.8Å; L1420-L1422 HydrophobicContact CB-CD1 4.28Å; L1420-L1422 HydrophobicContact CB-CG 4.26Å; L1420-L1422 HydrophobicContact CD1-CD1 4.48Å; L1420-L1462 HydrophobicContact CD1-CD1 4.37Å; L1420-G1521 CarbonylContact O-C 3.15Å; L1420-G1521 VanDerWaalsContact O-CA 3.28Å; L1420-G1521 WeakPolarHBondContact O-CA 3.4Å; L1420-H1523 HydrophobicContact CD2-CB 4.46Å |
| 1421 | G | 95.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 29.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1418 S1419 D1519 S1520 G1521 | P1418-G1421 WeakPolarHBondContact O-CA 3.38Å; P1418-G1421 PolarHBondContact O-N 3.47Å; S1419-G1421 VanDerWaalsContact C-N 3.33Å; G1421-D1519 CarbonylContact O-C 3.13Å; G1421-D1519 WeakPolarHBondContact O-CA 3.38Å; G1421-S1520 PolarHBondContact O-N 2.9Å; G1421-G1521 WeakPolarHBondContact O-CA 3.43Å; G1421-G1521 PolarHBondContact O-N 3.5Å |
| 1422 | L | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -118.3 | 30.9 | -178.7 | -66.3 | 179 | 0 | 0 | 0 | 111.9 | L1417 L1420 R1424 Y1425 H1458 L1462 | L1417-L1422 HydrophobicContact CD1-CB 3.8Å; L1417-L1422 HydrophobicContact CD1-CD1 4.22Å; L1417-L1422 HydrophobicContact CG-CB 3.94Å; L1417-L1422 WeakPolarHBondContact CG-O 3.23Å; L1417-L1422 PolarHBondContact O-N 3.08Å; L1417-L1422 VanDerWaalsContact O-N 3.15Å; L1420-L1422 HydrophobicContact CB-CD1 4.28Å; L1420-L1422 HydrophobicContact CB-CG 4.26Å; L1420-L1422 HydrophobicContact CD1-CD1 4.48Å; L1422-R1424 PolarHBondContact O-N 3.4Å; L1422-R1424 VanDerWaalsContact O-N 3.17Å; L1422-Y1425 HydrophobicContact CB-CD2 4.19Å; L1422-Y1425 HydrophobicContact CD2-CD2 4.23Å; L1422-Y1425 HydrophobicContact CD2-CE2 4.08Å; L1422-Y1425 PolarHBondContact O-N 2.93Å; L1422-Y1425 VanDerWaalsContact O-N 3.13Å; L1422-H1458 HydrophobicContact CD2-CB 3.74Å; L1422-L1462 HydrophobicContact CD1-CB 4.09Å; L1422-L1462 HydrophobicContact CD1-CD1 4.5Å | ||
| 1423 | A | 94.6 | Very high | 95 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 34% | 0.339 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -60.7 | -28.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1418 Y1425 R1426 D1519 | P1418-A1423 HydrophobicContact CB-CB 4.04Å; P1418-A1423 HydrophobicContact CG-CB 4.14Å; A1423-Y1425 PolarHBondContact O-N 3.38Å; A1423-Y1425 VanDerWaalsContact O-N 3.15Å; A1423-R1426 WeakPolarHBondContact O-CB 3.49Å; A1423-R1426 PolarHBondContact O-N 3.27Å; A1423-D1519 WeakPolarHBondContact CA-OD1 3.38Å; A1423-D1519 WeakPolarHBondContact CB-OD1 3.36Å; A1423-D1519 PolarHBondContact N-OD1 2.95Å; A1423-D1519 VanDerWaalsContact N-OD1 3.12Å |
| 1424 | R | 93.8 | Very high | 95.1 | Very high | 144 Ų | 144 | 35.5 Ų | 35.5 | 54% | 0.543 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -56.2 | -27.9 | 175.1 | 77.8 | -168.3 | -31.3 | -150.6 | 4.1 | 115.5 | L1422 R1426 D1519 | L1422-R1424 PolarHBondContact O-N 3.4Å; L1422-R1424 VanDerWaalsContact O-N 3.17Å; R1424-R1426 VanDerWaalsContact C-N 3.32Å; R1424-D1519 HydrophobicContact CB-CB 4.48Å; R1424-D1519 PolarHBondContact N-OD1 3.44Å |
| 1425 | Y | 96.5 | Very high | 95 | Very high | 18 Ų | 18 | 31.9 Ų | 31.9 | 7% | 0.071 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -89.9 | -0.7 | 179.7 | -58.7 | -69.6 | 0 | 0 | 0 | 113.1 | L1422 A1423 S1427 S1428 F1429 K1452 M1453 H1458 | L1422-Y1425 HydrophobicContact CB-CD2 4.19Å; L1422-Y1425 HydrophobicContact CD2-CD2 4.23Å; L1422-Y1425 HydrophobicContact CD2-CE2 4.08Å; L1422-Y1425 PolarHBondContact O-N 2.93Å; L1422-Y1425 VanDerWaalsContact O-N 3.13Å; A1423-Y1425 PolarHBondContact O-N 3.38Å; A1423-Y1425 VanDerWaalsContact O-N 3.15Å; Y1425-S1427 VanDerWaalsContact C-N 3.32Å; Y1425-S1427 PolarHBondContact O-N 3.38Å; Y1425-S1428 PolarHBondContact O-N 3.42Å; Y1425-F1429 WeakPolarHBondContact O-CD2 3.15Å; Y1425-F1429 PolarHBondContact O-N 3.01Å; Y1425-F1429 VanDerWaalsContact O-N 3.07Å; Y1425-K1452 WeakPolarHBondContact CE1-O 3.49Å; Y1425-M1453 HydrophobicContact CD1-CB 4.15Å; Y1425-M1453 HydrophobicContact CD1-CE 4.28Å; Y1425-M1453 HydrophobicContact CD1-CG 4.33Å; Y1425-M1453 HydrophobicContact CD2-CE 3.58Å; Y1425-M1453 HydrophobicContact CD2-CG 4.36Å; Y1425-M1453 HydrophobicContact CE1-CB 3.98Å; Y1425-M1453 HydrophobicContact CE1-CG 3.99Å; Y1425-M1453 HydrophobicContact CE2-CE 4.09Å; Y1425-M1453 HydrophobicContact CE2-CG 3.99Å; Y1425-M1453 HydrophobicContact CG-CE 3.67Å; Y1425-H1458 HydrophobicContact CE2-CB 3.95Å; Y1425-H1458 AromaticContact CE2-CG 3.88Å; Y1425-H1458 AromaticContact CE2-ND1 3.37Å; Y1425-H1458 WeakPolarHBondContact CE2-ND1 3.4Å; Y1425-H1458 AromaticContact CZ-ND1 3.52Å; Y1425-H1458 PolarHBondContact OH-ND1 2.81Å |
| 1426 | R | 96.3 | Very high | 94.9 | Very high | 74 Ų | 74 | 28.5 Ų | 28.5 | 28% | 0.279 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -53.1 | -46.8 | -176.6 | 173.7 | 175.2 | 159.1 | 45 | 18.8 | 112.9 | G1413 N1414 L1417 A1423 R1424 S1428 F1429 M1430 | G1413-R1426 VanDerWaalsContact O-CD 3.26Å; G1413-R1426 WeakPolarHBondContact O-CD 3.38Å; G1413-R1426 VanDerWaalsContact O-CG 3.3Å; G1413-R1426 WeakPolarHBondContact O-CG 3.34Å; G1413-R1426 PolarHBondContact O-NH1 3.2Å; N1414-R1426 VanDerWaalsContact N-NH1 3.16Å; N1414-R1426 PolarHBondContact OD1-NH1 3.11Å; N1414-R1426 VanDerWaalsContact OD1-NH1 3.13Å; N1414-R1426 PolarHBondContact OD1-NH2 3.43Å; L1417-R1426 HydrophobicContact CD2-CB 4.48Å; A1423-R1426 WeakPolarHBondContact O-CB 3.49Å; A1423-R1426 PolarHBondContact O-N 3.27Å; R1424-R1426 VanDerWaalsContact C-N 3.32Å; R1426-S1428 PolarHBondContact O-N 3Å; R1426-F1429 PolarHBondContact O-N 3.09Å; R1426-M1430 HydrophobicContact CG-CG 4.24Å; R1426-M1430 PolarHBondContact NH1-SD 2.94Å; R1426-M1430 WeakPolarHBondContact O-CB 3.03Å; R1426-M1430 VanDerWaalsContact O-CG 3.23Å; R1426-M1430 WeakPolarHBondContact O-CG 3.36Å; R1426-M1430 PolarHBondContact O-N 2.88Å |
| 1427 | S | 94.7 | Very high | 94.6 | Very high | 79 Ų | 79 | 29.4 Ų | 29.4 | 55% | 0.552 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -59.1 | -47.4 | -177.7 | 51.7 | 0 | 0 | 0 | 0 | 111.2 | Y1425 M1430 E1431 | Y1425-S1427 VanDerWaalsContact C-N 3.32Å; Y1425-S1427 PolarHBondContact O-N 3.38Å; S1427-M1430 PolarHBondContact O-N 3.14Å; S1427-E1431 VanDerWaalsContact O-CB 3.24Å; S1427-E1431 WeakPolarHBondContact O-CB 3.4Å; S1427-E1431 PolarHBondContact O-N 2.81Å |
| 1428 | S | 95.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -37.7 | 178.9 | -56.4 | 0 | 0 | 0 | 0 | 113.1 | Y1425 R1426 C1432 | Y1425-S1428 PolarHBondContact O-N 3.42Å; R1426-S1428 PolarHBondContact O-N 3Å; S1428-C1432 VanDerWaalsContact O-CB 3.28Å; S1428-C1432 WeakPolarHBondContact O-CB 3.14Å; S1428-C1432 PolarHBondContact O-N 3.02Å; S1428-C1432 PolarHBondContact O-SG 2.86Å |
| 1429 | F | 96.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 174.5 | -88.7 | -112.4 | 0 | 0 | 0 | 112.4 | I1412 L1417 Y1425 R1426 L1433 V1434 L1439 L1451 M1453 L1462 | I1412-F1429 HydrophobicContact CG2-CD1 4.06Å; L1417-F1429 HydrophobicContact CD1-CE1 4.41Å; L1417-F1429 HydrophobicContact CD1-CZ 4.33Å; L1417-F1429 HydrophobicContact CD2-CB 4.22Å; L1417-F1429 HydrophobicContact CD2-CD1 4.38Å; L1417-F1429 HydrophobicContact CD2-CD2 3.94Å; L1417-F1429 HydrophobicContact CD2-CE2 4.41Å; L1417-F1429 HydrophobicContact CD2-CG 3.92Å; Y1425-F1429 WeakPolarHBondContact O-CD2 3.15Å; Y1425-F1429 PolarHBondContact O-N 3.01Å; Y1425-F1429 VanDerWaalsContact O-N 3.07Å; R1426-F1429 PolarHBondContact O-N 3.09Å; F1429-L1433 PolarHBondContact O-N 3.11Å; F1429-L1433 VanDerWaalsContact O-N 3.1Å; F1429-V1434 HydrophobicContact CD1-CB 3.7Å; F1429-V1434 HydrophobicContact CD1-CG1 3.75Å; F1429-V1434 HydrophobicContact CD1-CG2 4.09Å; F1429-V1434 HydrophobicContact CE1-CB 4.29Å; F1429-V1434 HydrophobicContact CE1-CG1 3.87Å; F1429-V1434 HydrophobicContact CG-CB 4.36Å; F1429-V1434 HydrophobicContact CG-CG2 4.43Å; F1429-V1434 PolarHBondContact O-N 3.12Å; F1429-L1439 HydrophobicContact CE1-CD2 4.41Å; F1429-L1451 HydrophobicContact CD2-CB 4.33Å; F1429-L1451 HydrophobicContact CD2-CD1 4.44Å; F1429-L1451 HydrophobicContact CD2-CD2 3.92Å; F1429-L1451 HydrophobicContact CD2-CG 4.46Å; F1429-L1451 HydrophobicContact CE1-CD1 4.38Å; F1429-L1451 HydrophobicContact CE2-CB 3.95Å; F1429-L1451 HydrophobicContact CE2-CD1 3.88Å; F1429-L1451 HydrophobicContact CE2-CD2 4.16Å; F1429-L1451 HydrophobicContact CE2-CG 4.21Å; F1429-L1451 HydrophobicContact CG-CD2 4.28Å; F1429-L1451 HydrophobicContact CZ-CD1 3.84Å; F1429-M1453 HydrophobicContact CE2-CE 3.74Å; F1429-M1453 HydrophobicContact CZ-CE 4.08Å; F1429-L1462 HydrophobicContact CZ-CD1 4.38Å; F1429-L1462 HydrophobicContact CZ-CD2 4.01Å |
| 1430 | M | 94.1 | Very high | 93.8 | Very high | 41 Ų | 41 | 29.3 Ų | 29.3 | 20% | 0.202 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.5 | -42.6 | 176.2 | -68.7 | -66.4 | -65.5 | 0 | 0 | 111.7 | E1410 R1426 S1427 C1432 L1433 | E1410-M1430 HydrophobicContact CG-CE 4.25Å; R1426-M1430 HydrophobicContact CG-CG 4.24Å; R1426-M1430 PolarHBondContact NH1-SD 2.94Å; R1426-M1430 WeakPolarHBondContact O-CB 3.03Å; R1426-M1430 VanDerWaalsContact O-CG 3.23Å; R1426-M1430 WeakPolarHBondContact O-CG 3.36Å; R1426-M1430 PolarHBondContact O-N 2.88Å; S1427-M1430 PolarHBondContact O-N 3.14Å; M1430-C1432 VanDerWaalsContact C-N 3.32Å; M1430-C1432 PolarHBondContact O-N 3.33Å; M1430-L1433 PolarHBondContact O-N 2.97Å; M1430-L1433 VanDerWaalsContact O-N 3.13Å |
| 1431 | E | 94 | Very high | 93.4 | Very high | 130 Ų | 130 | 32.8 Ų | 32.8 | 61% | 0.607 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -62.6 | -40.3 | 177.7 | -175.4 | -179.1 | -177.8 | 0 | 0 | 111.5 | H1358 S1427 L1433 | H1358-E1431 PolarHBondContact CE1-O 3.42Å; H1358-E1431 VanDerWaalsContact CE1-O 3.3Å; H1358-E1431 PolarHBondContact NE2-O 3.42Å; S1427-E1431 VanDerWaalsContact O-CB 3.24Å; S1427-E1431 WeakPolarHBondContact O-CB 3.4Å; S1427-E1431 PolarHBondContact O-N 2.81Å; E1431-L1433 VanDerWaalsContact C-N 3.29Å |
| 1432 | C | 95 | Very high | 93.2 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 6.4 | 176 | -66.3 | 0 | 0 | 0 | 0 | 114 | L1357 H1358 S1428 M1430 V1434 L1451 | L1357-C1432 HydrophobicContact CB-CB 4.22Å; L1357-C1432 HydrophobicContact CD1-CB 3.67Å; H1358-C1432 VanDerWaalsContact CD2-C 3.44Å; H1358-C1432 PolarHBondContact CD2-O 3.36Å; H1358-C1432 VanDerWaalsContact NE2-CA 3.25Å; H1358-C1432 WeakPolarHBondContact NE2-CA 3.49Å; S1428-C1432 VanDerWaalsContact O-CB 3.28Å; S1428-C1432 WeakPolarHBondContact O-CB 3.14Å; S1428-C1432 PolarHBondContact O-N 3.02Å; S1428-C1432 PolarHBondContact O-SG 2.86Å; M1430-C1432 VanDerWaalsContact C-N 3.32Å; M1430-C1432 PolarHBondContact O-N 3.33Å; C1432-V1434 HydrophobicContact CB-CG2 4.01Å; C1432-V1434 PolarHBondContact O-N 2.82Å; C1432-V1434 VanDerWaalsContact O-N 3.12Å; C1432-L1451 HydrophobicContact CB-CD2 3.8Å |
| 1433 | L | 94.7 | Very high | 92.8 | Very high | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 30.3 | 177.8 | -57.9 | 174.8 | 0 | 0 | 0 | 115.1 | M1321 P1322 Y1325 K1361 H1409 F1429 M1430 E1431 D1435 | M1321-L1433 HydrophobicContact SD-CD1 4.26Å; P1322-L1433 HydrophobicContact CG-CD1 3.75Å; P1322-L1433 HydrophobicContact CG-CD2 3.88Å; P1322-L1433 HydrophobicContact CG-CG 4.48Å; Y1325-L1433 HydrophobicContact CD2-CD1 4.24Å; Y1325-L1433 HydrophobicContact CE2-CD1 3.98Å; K1361-L1433 HydrophobicContact CD-CB 4.09Å; K1361-L1433 WeakPolarHBondContact CD-O 3.43Å; K1361-L1433 WeakPolarHBondContact CE-O 3.43Å; K1361-L1433 PolarHBondContact NZ-O 3.21Å; H1409-L1433 VanDerWaalsContact CB-C 3.46Å; H1409-L1433 WeakPolarHBondContact CB-O 3.43Å; H1409-L1433 VanDerWaalsContact CD2-CD2 3.48Å; H1409-L1433 WeakPolarHBondContact CD2-CD2 3.49Å; F1429-L1433 PolarHBondContact O-N 3.11Å; F1429-L1433 VanDerWaalsContact O-N 3.1Å; M1430-L1433 PolarHBondContact O-N 2.97Å; M1430-L1433 VanDerWaalsContact O-N 3.13Å; E1431-L1433 VanDerWaalsContact C-N 3.29Å; L1433-D1435 PolarHBondContact O-N 3.29Å |
| 1434 | V | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -63.8 | 120.9 | -172.6 | -179 | 0 | 0 | 0 | 0 | 111.7 | H1409 F1429 C1432 M1438 L1439 L1442 L1451 | H1409-V1434 WeakPolarHBondContact CA-O 3.38Å; H1409-V1434 VanDerWaalsContact CB-O 3.23Å; H1409-V1434 WeakPolarHBondContact CB-O 3.46Å; F1429-V1434 HydrophobicContact CD1-CB 3.7Å; F1429-V1434 HydrophobicContact CD1-CG1 3.75Å; F1429-V1434 HydrophobicContact CD1-CG2 4.09Å; F1429-V1434 HydrophobicContact CE1-CB 4.29Å; F1429-V1434 HydrophobicContact CE1-CG1 3.87Å; F1429-V1434 HydrophobicContact CG-CB 4.36Å; F1429-V1434 HydrophobicContact CG-CG2 4.43Å; F1429-V1434 PolarHBondContact O-N 3.12Å; C1432-V1434 HydrophobicContact CB-CG2 4.01Å; C1432-V1434 PolarHBondContact O-N 2.82Å; C1432-V1434 VanDerWaalsContact O-N 3.12Å; V1434-M1438 HydrophobicContact CG1-CB 4.31Å; V1434-M1438 HydrophobicContact CG2-CE 4.31Å; V1434-L1439 HydrophobicContact CG1-CD2 4.16Å; V1434-L1442 HydrophobicContact CG1-CD1 4.06Å; V1434-L1451 HydrophobicContact CG2-CD1 4.23Å; V1434-L1451 HydrophobicContact CG2-CD2 3.69Å | ||
| 1435 | D | 92 | Very high | 92 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -110.6 | 177.4 | 174.4 | 73.2 | 19.1 | 0 | 0 | 0 | 112.7 | K1361 L1433 R1437 M1438 L1439 | K1361-D1435 VanDerWaalsContact CE-OD2 3.26Å; K1361-D1435 WeakPolarHBondContact CE-OD2 3.45Å; L1433-D1435 PolarHBondContact O-N 3.29Å; D1435-R1437 PolarHBondContact O-N 2.99Å; D1435-R1437 WeakPolarHBondContact OD1-CB 3.39Å; D1435-R1437 PolarHBondContact OD1-N 3.36Å; D1435-R1437 IonicContact OD1-NE 3.41Å; D1435-R1437 IonicContact OD2-CZ 3.62Å; D1435-R1437 VanDerWaalsContact OD2-CZ 3.28Å; D1435-R1437 IonicContact OD2-NE 3.98Å; D1435-R1437 PolarHBondContact OD2-NE 3.44Å; D1435-R1437 IonicContact OD2-NH2 3.73Å; D1435-R1437 PolarHBondContact OD2-NH2 3.28Å; D1435-M1438 PolarHBondContact O-N 2.86Å; D1435-M1438 WeakPolarHBondContact OD1-CG 3.34Å; D1435-M1438 PolarHBondContact OD1-N 2.93Å; D1435-M1438 VanDerWaalsContact OD1-N 3.16Å; D1435-L1439 PolarHBondContact O-N 3.28Å | ||
| 1436 | A | 90.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -27 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1402 L1407 I1412 M1438 L1439 Y1474 | L1402-A1436 HydrophobicContact CD2-CB 4.25Å; L1407-A1436 HydrophobicContact CB-CB 3.57Å; L1407-A1436 HydrophobicContact CD1-CB 3.91Å; L1407-A1436 HydrophobicContact CG-CB 4.34Å; L1407-A1436 PolarHBondContact O-N 2.9Å; I1412-A1436 HydrophobicContact CD1-CB 4.21Å; A1436-M1438 VanDerWaalsContact C-N 3.33Å; A1436-L1439 HydrophobicContact CB-CD1 4.43Å; A1436-L1439 PolarHBondContact O-N 2.9Å; A1436-Y1474 HydrophobicContact CB-CD1 4.12Å; A1436-Y1474 HydrophobicContact CB-CE1 4.39Å |
| 1437 | R | 87.9 | Confident | 91.7 | Very high | 20 Ų | 20 | 33.3 Ų | 33.3 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -37.5 | 179.7 | -61.6 | 171 | -71.1 | -148.3 | -11.3 | 110.4 | E1368 L1402 D1435 L1439 H1441 | E1368-R1437 WeakPolarHBondContact OE2-CD 3.14Å; E1368-R1437 IonicContact OE2-CZ 3.13Å; E1368-R1437 IonicContact OE2-NE 2.95Å; E1368-R1437 IonicContact OE2-NH1 2.79Å; E1368-R1437 PolarHBondContact OE2-NH1 3.42Å; E1368-R1437 VanDerWaalsContact OE2-NH1 3.13Å; L1402-R1437 HydrophobicContact CB-CG 4.03Å; L1402-R1437 HydrophobicContact CD2-CB 4.25Å; L1402-R1437 HydrophobicContact CD2-CG 3.44Å; L1402-R1437 VanDerWaalsContact CD2-CG 3.44Å; L1402-R1437 HydrophobicContact CG-CG 4.33Å; D1435-R1437 PolarHBondContact O-N 2.99Å; D1435-R1437 WeakPolarHBondContact OD1-CB 3.39Å; D1435-R1437 PolarHBondContact OD1-N 3.36Å; D1435-R1437 IonicContact OD1-NE 3.41Å; D1435-R1437 IonicContact OD2-CZ 3.62Å; D1435-R1437 VanDerWaalsContact OD2-CZ 3.28Å; D1435-R1437 IonicContact OD2-NE 3.98Å; D1435-R1437 PolarHBondContact OD2-NE 3.44Å; D1435-R1437 IonicContact OD2-NH2 3.73Å; D1435-R1437 PolarHBondContact OD2-NH2 3.28Å; R1437-L1439 VanDerWaalsContact C-N 3.31Å; R1437-L1439 PolarHBondContact O-N 3.19Å; R1437-H1441 PolarHBondContact O-CD2 3.5Å; R1437-H1441 VanDerWaalsContact O-CD2 3.29Å |
| 1438 | M | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -70.5 | -27.7 | 180 | -63.6 | 170.5 | 67.9 | 0 | 0 | 112.7 | L1357 L1360 K1361 L1364 V1434 D1435 A1436 S1440 H1441 L1442 | L1357-M1438 HydrophobicContact CB-CE 3.81Å; L1357-M1438 HydrophobicContact CD2-CE 4.12Å; L1357-M1438 HydrophobicContact CG-CE 4.46Å; L1357-M1438 WeakPolarHBondContact O-CE 3.39Å; L1360-M1438 HydrophobicContact CD2-CE 4.35Å; K1361-M1438 HydrophobicContact CB-CE 4.37Å; K1361-M1438 HydrophobicContact CB-CG 4.29Å; K1361-M1438 HydrophobicContact CB-SD 3.49Å; K1361-M1438 WeakPolarHBondContact CB-SD 3.46Å; K1361-M1438 HydrophobicContact CD-SD 4.15Å; K1361-M1438 HydrophobicContact CG-SD 3.83Å; L1364-M1438 HydrophobicContact CD1-CG 4.12Å; V1434-M1438 HydrophobicContact CG1-CB 4.31Å; V1434-M1438 HydrophobicContact CG2-CE 4.31Å; D1435-M1438 PolarHBondContact O-N 2.86Å; D1435-M1438 WeakPolarHBondContact OD1-CG 3.34Å; D1435-M1438 PolarHBondContact OD1-N 2.93Å; D1435-M1438 VanDerWaalsContact OD1-N 3.16Å; A1436-M1438 VanDerWaalsContact C-N 3.33Å; M1438-S1440 PolarHBondContact O-N 3.47Å; M1438-S1440 VanDerWaalsContact O-N 3.07Å; M1438-H1441 WeakPolarHBondContact O-CA 3.4Å; M1438-H1441 PolarHBondContact O-N 3.1Å; M1438-L1442 WeakPolarHBondContact O-CG 3.48Å; M1438-L1442 PolarHBondContact O-N 3.29Å |
| 1439 | L | 92.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -52.5 | -37.9 | -171.6 | -69.3 | 177.4 | 0 | 0 | 0 | 113.3 | I1412 W1416 F1429 V1434 D1435 A1436 R1437 H1441 L1442 I1466 L1469 W1590 | I1412-L1439 HydrophobicContact CD1-CD1 3.99Å; W1416-L1439 HydrophobicContact CH2-CD1 3.66Å; W1416-L1439 HydrophobicContact CH2-CD2 4.15Å; W1416-L1439 HydrophobicContact CZ2-CD1 4.26Å; W1416-L1439 HydrophobicContact CZ3-CD1 3.84Å; W1416-L1439 HydrophobicContact CZ3-CD2 3.93Å; F1429-L1439 HydrophobicContact CE1-CD2 4.41Å; V1434-L1439 HydrophobicContact CG1-CD2 4.16Å; D1435-L1439 PolarHBondContact O-N 3.28Å; A1436-L1439 HydrophobicContact CB-CD1 4.43Å; A1436-L1439 PolarHBondContact O-N 2.9Å; R1437-L1439 VanDerWaalsContact C-N 3.31Å; R1437-L1439 PolarHBondContact O-N 3.19Å; L1439-H1441 VanDerWaalsContact C-N 3.29Å; L1439-H1441 PolarHBondContact O-N 3.01Å; L1439-L1442 HydrophobicContact CD2-CD1 4.33Å; L1439-I1466 HydrophobicContact CB-CD1 3.96Å; L1439-I1466 HydrophobicContact CB-CG1 3.99Å; L1439-I1466 HydrophobicContact CB-CG2 4.39Å; L1439-I1466 HydrophobicContact CD1-CG1 4.18Å; L1439-I1466 HydrophobicContact CD2-CD1 4.39Å; L1439-I1466 HydrophobicContact CD2-CG1 4.43Å; L1439-I1466 HydrophobicContact CG-CG1 4.43Å; L1439-L1469 HydrophobicContact CD1-CD1 3.8Å; L1439-W1590 WeakPolarHBondContact O-CH2 3.48Å |
| 1440 | S | 86 | Confident | 91 | Very high | 42 Ų | 42 | 41 Ų | 41 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -78.3 | -7.8 | 178.4 | 51.3 | 0 | 0 | 0 | 0 | 115.1 | M1438 W1590 | M1438-S1440 PolarHBondContact O-N 3.47Å; M1438-S1440 VanDerWaalsContact O-N 3.07Å; S1440-W1590 WeakPolarHBondContact O-CZ2 3.37Å |
| 1441 | H | 87.5 | Confident | 91.1 | Very high | 76 Ų | 76 | 39.1 Ų | 39.1 | 35% | 0.352 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -5 | -175.9 | -63.3 | -85.2 | 0 | 0 | 0 | 113.2 | L1360 L1364 R1437 M1438 L1439 T1443 | L1360-H1441 HydrophobicContact CD2-CB 4.23Å; L1364-H1441 HydrophobicContact CD1-CB 4.29Å; R1437-H1441 PolarHBondContact O-CD2 3.5Å; R1437-H1441 VanDerWaalsContact O-CD2 3.29Å; M1438-H1441 WeakPolarHBondContact O-CA 3.4Å; M1438-H1441 PolarHBondContact O-N 3.1Å; L1439-H1441 VanDerWaalsContact C-N 3.29Å; L1439-H1441 PolarHBondContact O-N 3.01Å; H1441-T1443 PolarHBondContact O-N 2.98Å |
| 1442 | L | 92.4 | Very high | 91 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | -69.8 | 125 | 178.4 | -64.2 | 174.7 | 0 | 0 | 0 | 110.7 | L1357 V1434 M1438 L1439 D1446 L1447 L1451 | L1357-L1442 HydrophobicContact CD2-CD2 3.8Å; V1434-L1442 HydrophobicContact CG1-CD1 4.06Å; M1438-L1442 WeakPolarHBondContact O-CG 3.48Å; M1438-L1442 PolarHBondContact O-N 3.29Å; L1439-L1442 HydrophobicContact CD2-CD1 4.33Å; L1442-D1446 HydrophobicContact CD2-CB 4.34Å; L1442-L1447 HydrophobicContact CD1-CD2 4.35Å; L1442-L1451 HydrophobicContact CD1-CD1 3.86Å; L1442-L1451 HydrophobicContact CD2-CD1 4.21Å | ||
| 1443 | T | 87.7 | Confident | 91 | Very high | 44 Ų | 44 | 38.9 Ų | 38.9 | 27% | 0.27 | 18% | 0.178 | S | C | . | . | trans | -89 | 173.3 | 177.2 | 69.7 | 0 | 0 | 0 | 0 | 112.3 | H1441 R1445 D1446 L1447 V1594 | H1441-T1443 PolarHBondContact O-N 2.98Å; T1443-R1445 PolarHBondContact O-N 3.36Å; T1443-D1446 WeakPolarHBondContact CB-OD2 3.48Å; T1443-D1446 PolarHBondContact N-OD2 3.24Å; T1443-D1446 PolarHBondContact O-N 3.25Å; T1443-D1446 PolarHBondContact OG1-N 3.49Å; T1443-D1446 PolarHBondContact OG1-OD2 2.98Å; T1443-L1447 WeakPolarHBondContact O-CG 3.06Å; T1443-L1447 PolarHBondContact O-N 2.94Å; T1443-V1594 VanDerWaalsContact C-CG1 3.43Å | ||
| 1444 | K | 86.1 | Confident | 90.7 | Very high | 39 Ų | 39 | 43 Ų | 43 | 17% | 0.17 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -39.4 | -179.5 | -162.8 | 169.7 | 168.5 | 169.3 | 0 | 109 | L1447 R1448 V1594 E1595 | K1444-L1447 PolarHBondContact O-N 3.41Å; K1444-R1448 VanDerWaalsContact CE-CZ 3.47Å; K1444-R1448 WeakPolarHBondContact O-CB 3.37Å; K1444-R1448 WeakPolarHBondContact O-CG 3.47Å; K1444-R1448 PolarHBondContact O-N 2.97Å; K1444-V1594 HydrophobicContact CB-CG1 3.63Å; K1444-V1594 WeakPolarHBondContact CB-O 3.47Å; K1444-V1594 HydrophobicContact CG-CG1 4.45Å; K1444-V1594 PolarHBondContact N-O 2.82Å; K1444-E1595 HydrophobicContact CD-CG 3.69Å; K1444-E1595 IonicContact NZ-OE1 3.67Å; K1444-E1595 PolarHBondContact NZ-OE1 3.4Å |
| 1445 | R | 84.5 | Confident | 90.6 | Very high | 167 Ų | 167 | 46.3 Ų | 46.3 | 63% | 0.63 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -62.6 | -45.8 | 177.7 | -174.2 | 180 | 171.4 | 83.4 | 3.3 | 110.3 | T1443 R1448 I1449 | T1443-R1445 PolarHBondContact O-N 3.36Å; R1445-R1448 PolarHBondContact O-N 3.32Å; R1445-I1449 HydrophobicContact CG-CD1 3.5Å; R1445-I1449 VanDerWaalsContact CG-CD1 3.5Å; R1445-I1449 HydrophobicContact CG-CG1 4.16Å; R1445-I1449 WeakPolarHBondContact O-CB 3.42Å; R1445-I1449 WeakPolarHBondContact O-CG1 3.4Å; R1445-I1449 PolarHBondContact O-N 2.94Å |
| 1446 | D | 93.4 | Very high | 90.5 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 12% | 0.123 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -62.8 | -46 | 178 | -59.3 | -43.6 | 0 | 0 | 0 | 111.8 | L1357 L1442 T1443 R1448 H1450 L1451 | L1357-D1446 HydrophobicContact CD2-CB 4.19Å; L1442-D1446 HydrophobicContact CD2-CB 4.34Å; T1443-D1446 WeakPolarHBondContact CB-OD2 3.48Å; T1443-D1446 PolarHBondContact N-OD2 3.24Å; T1443-D1446 PolarHBondContact O-N 3.25Å; T1443-D1446 PolarHBondContact OG1-N 3.49Å; T1443-D1446 PolarHBondContact OG1-OD2 2.98Å; D1446-R1448 VanDerWaalsContact C-N 3.32Å; D1446-R1448 PolarHBondContact O-N 3.17Å; D1446-H1450 WeakPolarHBondContact O-CB 3.32Å; D1446-H1450 PolarHBondContact O-N 2.94Å; D1446-H1450 IonicContact OD1-CD2 2.65Å; D1446-L1451 PolarHBondContact O-N 3.37Å |
| 1447 | L | 93.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 55.3 Ų | 55.3 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -60 | -42.5 | 177.8 | -70.9 | 168.9 | 0 | 0 | 0 | 111.6 | L1442 T1443 K1444 L1451 K1452 M1453 R1459 L1462 | L1442-L1447 HydrophobicContact CD1-CD2 4.35Å; T1443-L1447 WeakPolarHBondContact O-CG 3.06Å; T1443-L1447 PolarHBondContact O-N 2.94Å; K1444-L1447 PolarHBondContact O-N 3.41Å; L1447-L1451 HydrophobicContact CD2-CD1 3.88Å; L1447-L1451 CarbonylContact O-C 3.31Å; L1447-L1451 VanDerWaalsContact O-C 3.31Å; L1447-K1452 PolarHBondContact O-N 3.46Å; L1447-K1452 VanDerWaalsContact O-N 3.14Å; L1447-M1453 HydrophobicContact CD2-SD 4.32Å; L1447-M1453 WeakPolarHBondContact O-CA 3.43Å; L1447-M1453 WeakPolarHBondContact O-CB 3.46Å; L1447-M1453 PolarHBondContact O-N 3.42Å; L1447-R1459 HydrophobicContact CB-CG 4.46Å; L1447-R1459 HydrophobicContact CD1-CG 4.18Å; L1447-L1462 HydrophobicContact CD2-CD2 3.51Å |
| 1448 | R | 92.1 | Very high | 91.1 | Very high | 105 Ų | 105 | 54.9 Ų | 54.9 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -76.9 | -50.1 | -178.5 | -74.5 | -179.7 | 171.4 | -173.5 | -4.5 | 113.6 | K1444 R1445 D1446 K1452 | K1444-R1448 VanDerWaalsContact CE-CZ 3.47Å; K1444-R1448 WeakPolarHBondContact O-CB 3.37Å; K1444-R1448 WeakPolarHBondContact O-CG 3.47Å; K1444-R1448 PolarHBondContact O-N 2.97Å; R1445-R1448 PolarHBondContact O-N 3.32Å; D1446-R1448 VanDerWaalsContact C-N 3.32Å; D1446-R1448 PolarHBondContact O-N 3.17Å; R1448-K1452 WeakPolarHBondContact O-CA 3.28Å |
| 1449 | I | 88.7 | Confident | 91.1 | Very high | 87 Ų | 87 | 56.2 Ų | 56.2 | 45% | 0.446 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -83.4 | -51.4 | -170.3 | -60 | -176.3 | 0 | 0 | 0 | 110.7 | R1445 | R1445-I1449 HydrophobicContact CG-CD1 3.5Å; R1445-I1449 VanDerWaalsContact CG-CD1 3.5Å; R1445-I1449 HydrophobicContact CG-CG1 4.16Å; R1445-I1449 WeakPolarHBondContact O-CB 3.42Å; R1445-I1449 WeakPolarHBondContact O-CG1 3.4Å; R1445-I1449 PolarHBondContact O-N 2.94Å |
| 1450 | H | 91 | Very high | 91.2 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 26% | 0.255 | 27% | 0.274 | S | S | . | . | I | π-helix | trans | -87.5 | -39 | -173.1 | -63.7 | -58.1 | 0 | 0 | 0 | 112.1 | P1356 L1357 D1446 | P1356-H1450 WeakPolarHBondContact CG-NE2 3.49Å; L1357-H1450 HydrophobicContact CD1-CB 3.61Å; L1357-H1450 HydrophobicContact CG-CB 4.35Å; D1446-H1450 WeakPolarHBondContact O-CB 3.32Å; D1446-H1450 PolarHBondContact O-N 2.94Å; D1446-H1450 IonicContact OD1-CD2 2.65Å |
| 1451 | L | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -100.6 | 2.7 | -175.7 | -55.8 | 171.7 | 0 | 0 | 0 | 114 | L1357 F1429 C1432 V1434 L1442 D1446 L1447 M1453 | L1357-L1451 HydrophobicContact CD1-CD1 4.47Å; L1357-L1451 HydrophobicContact CD1-CD2 4.09Å; L1357-L1451 HydrophobicContact CD1-CG 4.15Å; F1429-L1451 HydrophobicContact CD2-CB 4.33Å; F1429-L1451 HydrophobicContact CD2-CD1 4.44Å; F1429-L1451 HydrophobicContact CD2-CD2 3.92Å; F1429-L1451 HydrophobicContact CD2-CG 4.46Å; F1429-L1451 HydrophobicContact CE1-CD1 4.38Å; F1429-L1451 HydrophobicContact CE2-CB 3.95Å; F1429-L1451 HydrophobicContact CE2-CD1 3.88Å; F1429-L1451 HydrophobicContact CE2-CD2 4.16Å; F1429-L1451 HydrophobicContact CE2-CG 4.21Å; F1429-L1451 HydrophobicContact CG-CD2 4.28Å; F1429-L1451 HydrophobicContact CZ-CD1 3.84Å; C1432-L1451 HydrophobicContact CB-CD2 3.8Å; V1434-L1451 HydrophobicContact CG2-CD1 4.23Å; V1434-L1451 HydrophobicContact CG2-CD2 3.69Å; L1442-L1451 HydrophobicContact CD1-CD1 3.86Å; L1442-L1451 HydrophobicContact CD2-CD1 4.21Å; D1446-L1451 PolarHBondContact O-N 3.37Å; L1447-L1451 HydrophobicContact CD2-CD1 3.88Å; L1447-L1451 CarbonylContact O-C 3.31Å; L1447-L1451 VanDerWaalsContact O-C 3.31Å; L1451-M1453 PolarHBondContact O-N 2.98Å; L1451-M1453 VanDerWaalsContact O-N 3.07Å |
| 1452 | K | 93.5 | Very high | 92.1 | Very high | 131 Ų | 131 | 52.4 Ų | 52.4 | 57% | 0.57 | 24% | 0.244 | S | C | * | . | trans | 56.2 | 22.6 | 174.7 | -56.7 | 179.8 | -177.4 | 172.9 | 0 | 114.5 | Y1425 L1447 R1448 V1454 | Y1425-K1452 WeakPolarHBondContact CE1-O 3.49Å; L1447-K1452 PolarHBondContact O-N 3.46Å; L1447-K1452 VanDerWaalsContact O-N 3.14Å; R1448-K1452 WeakPolarHBondContact O-CA 3.28Å; K1452-V1454 PolarHBondContact O-N 3.43Å | ||
| 1453 | M | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -93.5 | 74.4 | -178.3 | -161.8 | -178.9 | -70.8 | 0 | 0 | 110.7 | Y1425 F1429 L1447 L1451 H1458 R1459 L1462 | Y1425-M1453 HydrophobicContact CD1-CB 4.15Å; Y1425-M1453 HydrophobicContact CD1-CE 4.28Å; Y1425-M1453 HydrophobicContact CD1-CG 4.33Å; Y1425-M1453 HydrophobicContact CD2-CE 3.58Å; Y1425-M1453 HydrophobicContact CD2-CG 4.36Å; Y1425-M1453 HydrophobicContact CE1-CB 3.98Å; Y1425-M1453 HydrophobicContact CE1-CG 3.99Å; Y1425-M1453 HydrophobicContact CE2-CE 4.09Å; Y1425-M1453 HydrophobicContact CE2-CG 3.99Å; Y1425-M1453 HydrophobicContact CG-CE 3.67Å; F1429-M1453 HydrophobicContact CE2-CE 3.74Å; F1429-M1453 HydrophobicContact CZ-CE 4.08Å; L1447-M1453 HydrophobicContact CD2-SD 4.32Å; L1447-M1453 WeakPolarHBondContact O-CA 3.43Å; L1447-M1453 WeakPolarHBondContact O-CB 3.46Å; L1447-M1453 PolarHBondContact O-N 3.42Å; L1451-M1453 PolarHBondContact O-N 2.98Å; L1451-M1453 VanDerWaalsContact O-N 3.07Å; M1453-H1458 HydrophobicContact CG-CB 4.07Å; M1453-H1458 HydrophobicContact SD-CB 4.26Å; M1453-R1459 HydrophobicContact CB-CG 4.45Å; M1453-R1459 HydrophobicContact CG-CG 3.87Å; M1453-R1459 WeakPolarHBondContact O-CD 3.35Å; M1453-R1459 PolarHBondContact O-NE 2.89Å; M1453-R1459 HydrophobicContact SD-CG 3.85Å; M1453-L1462 HydrophobicContact CE-CD2 4.15Å; M1453-L1462 HydrophobicContact SD-CB 4.33Å; M1453-L1462 HydrophobicContact SD-CD2 4.08Å | ||
| 1454 | V | 88.1 | Confident | 92.5 | Very high | 98 Ų | 98 | 51.4 Ų | 51.4 | 59% | 0.594 | 24% | 0.235 | S | C | * | . | trans | -72.3 | -38.6 | -179 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | K1452 Q1456 R1459 | K1452-V1454 PolarHBondContact O-N 3.43Å; V1454-Q1456 PolarHBondContact O-N 3.38Å; V1454-R1459 PolarHBondContact O-NE 3.02Å; V1454-R1459 PolarHBondContact O-NH2 2.9Å | ||
| 1455 | D | 91.7 | Very high | 93 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | trans | -56.1 | 130.4 | -178.4 | -165.7 | -34.3 | 0 | 0 | 0 | 111.4 | F1457 H1458 R1459 | D1455-F1457 WeakPolarHBondContact OD1-CB 3.45Å; D1455-F1457 PolarHBondContact OD1-N 3.19Å; D1455-H1458 HydrophobicContact CB-CB 4.06Å; D1455-H1458 IonicContact OD2-CE1 3.46Å; D1455-H1458 IonicContact OD2-ND1 2.86Å; D1455-H1458 IonicContact OD2-NE2 3.59Å; D1455-R1459 WeakPolarHBondContact O-CG 3.27Å; D1455-R1459 PolarHBondContact O-N 2.93Å; D1455-R1459 PolarHBondContact O-NE 3.49Å | ||
| 1456 | Q | 90.9 | Very high | 93.3 | Very high | 133 Ų | 133 | 41.8 Ų | 41.8 | 62% | 0.621 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -73 | -38.9 | 178.1 | -179.1 | 168.2 | -14.3 | 0 | 0 | 112.1 | V1454 H1458 R1459 L1460 | V1454-Q1456 PolarHBondContact O-N 3.38Å; Q1456-H1458 VanDerWaalsContact C-N 3.35Å; Q1456-H1458 PolarHBondContact O-N 2.65Å; Q1456-R1459 PolarHBondContact O-N 2.97Å; Q1456-L1460 PolarHBondContact O-N 3.12Å |
| 1457 | F | 93.5 | Very high | 93.1 | Very high | 57 Ų | 57 | 42.7 Ų | 42.7 | 25% | 0.25 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 179.7 | -176 | -106.3 | 0 | 0 | 0 | 110.9 | D1455 R1459 L1460 S1461 S1520 V1522 L1526 F1533 I1541 | D1455-F1457 WeakPolarHBondContact OD1-CB 3.45Å; D1455-F1457 PolarHBondContact OD1-N 3.19Å; F1457-R1459 VanDerWaalsContact C-N 3.32Å; F1457-R1459 PolarHBondContact O-N 3.22Å; F1457-L1460 WeakPolarHBondContact O-CB 3.21Å; F1457-L1460 PolarHBondContact O-N 3.35Å; F1457-S1461 WeakPolarHBondContact O-CB 3.32Å; F1457-S1461 PolarHBondContact O-N 2.86Å; F1457-S1520 WeakPolarHBondContact CD1-O 3.24Å; F1457-S1520 WeakPolarHBondContact CE1-O 3.26Å; F1457-V1522 HydrophobicContact CE1-CG2 4.13Å; F1457-V1522 HydrophobicContact CZ-CG2 4.09Å; F1457-L1526 HydrophobicContact CE1-CD2 4.36Å; F1457-L1526 HydrophobicContact CE2-CD2 4.14Å; F1457-L1526 HydrophobicContact CZ-CD2 3.58Å; F1457-F1533 HydrophobicContact CZ-CE2 4.32Å; F1457-I1541 HydrophobicContact CE1-CD1 3.89Å; F1457-I1541 HydrophobicContact CE2-CD1 3.98Å; F1457-I1541 HydrophobicContact CZ-CD1 3.37Å; F1457-I1541 HydrophobicContact CZ-CG1 4.46Å |
| 1458 | H | 96.2 | Very high | 93.1 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.6 | -33.7 | 176.1 | -64.5 | 164.7 | 0 | 0 | 0 | 113.3 | L1422 Y1425 M1453 D1455 Q1456 S1461 L1462 D1519 S1520 | L1422-H1458 HydrophobicContact CD2-CB 3.74Å; Y1425-H1458 HydrophobicContact CE2-CB 3.95Å; Y1425-H1458 AromaticContact CE2-CG 3.88Å; Y1425-H1458 AromaticContact CE2-ND1 3.37Å; Y1425-H1458 WeakPolarHBondContact CE2-ND1 3.4Å; Y1425-H1458 AromaticContact CZ-ND1 3.52Å; Y1425-H1458 PolarHBondContact OH-ND1 2.81Å; M1453-H1458 HydrophobicContact CG-CB 4.07Å; M1453-H1458 HydrophobicContact SD-CB 4.26Å; D1455-H1458 HydrophobicContact CB-CB 4.06Å; D1455-H1458 IonicContact OD2-CE1 3.46Å; D1455-H1458 IonicContact OD2-ND1 2.86Å; D1455-H1458 IonicContact OD2-NE2 3.59Å; Q1456-H1458 VanDerWaalsContact C-N 3.35Å; Q1456-H1458 PolarHBondContact O-N 2.65Å; H1458-S1461 PolarHBondContact O-N 2.83Å; H1458-L1462 WeakPolarHBondContact O-CB 3.22Å; H1458-L1462 PolarHBondContact O-N 2.93Å; H1458-D1519 PolarHBondContact NE2-O 3.08Å; H1458-S1520 PolarHBondContact CD2-O 3.47Å; H1458-S1520 PolarHBondContact NE2-O 3.3Å |
| 1459 | R | 95.4 | Very high | 93 | Very high | 29 Ų | 29 | 37.5 Ų | 37.5 | 11% | 0.109 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.8 | -38.7 | 173.6 | -72.5 | -178.8 | -75.1 | 138.2 | 1.7 | 111.8 | L1447 M1453 V1454 D1455 Q1456 F1457 L1462 Y1463 | L1447-R1459 HydrophobicContact CB-CG 4.46Å; L1447-R1459 HydrophobicContact CD1-CG 4.18Å; M1453-R1459 HydrophobicContact CB-CG 4.45Å; M1453-R1459 HydrophobicContact CG-CG 3.87Å; M1453-R1459 WeakPolarHBondContact O-CD 3.35Å; M1453-R1459 PolarHBondContact O-NE 2.89Å; M1453-R1459 HydrophobicContact SD-CG 3.85Å; V1454-R1459 PolarHBondContact O-NE 3.02Å; V1454-R1459 PolarHBondContact O-NH2 2.9Å; D1455-R1459 WeakPolarHBondContact O-CG 3.27Å; D1455-R1459 PolarHBondContact O-N 2.93Å; D1455-R1459 PolarHBondContact O-NE 3.49Å; Q1456-R1459 PolarHBondContact O-N 2.97Å; F1457-R1459 VanDerWaalsContact C-N 3.32Å; F1457-R1459 PolarHBondContact O-N 3.22Å; R1459-L1462 PolarHBondContact O-N 3.27Å; R1459-Y1463 PolarHBondContact O-N 3.08Å |
| 1460 | L | 93.2 | Very high | 92.9 | Very high | 34 Ų | 34 | 37.4 Ų | 37.4 | 18% | 0.178 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.3 | -43.7 | 174.2 | -172.8 | 68 | 0 | 0 | 0 | 111.4 | Q1456 F1457 L1462 Y1463 Y1464 D1530 I1591 | Q1456-L1460 PolarHBondContact O-N 3.12Å; F1457-L1460 WeakPolarHBondContact O-CB 3.21Å; F1457-L1460 PolarHBondContact O-N 3.35Å; L1460-L1462 PolarHBondContact O-N 2.95Å; L1460-Y1463 WeakPolarHBondContact O-CB 3.38Å; L1460-Y1463 PolarHBondContact O-N 3.13Å; L1460-Y1464 HydrophobicContact CD1-CD2 4.16Å; L1460-Y1464 HydrophobicContact CD1-CE2 3.47Å; L1460-Y1464 VanDerWaalsContact CD1-CE2 3.47Å; L1460-Y1464 HydrophobicContact CD2-CE2 4.1Å; L1460-Y1464 HydrophobicContact CG-CD2 3.93Å; L1460-Y1464 HydrophobicContact CG-CE2 3.51Å; L1460-Y1464 WeakPolarHBondContact O-CD2 3.31Å; L1460-Y1464 PolarHBondContact O-N 3.36Å; L1460-D1530 WeakPolarHBondContact CD2-OD2 3.33Å; L1460-I1591 HydrophobicContact CD1-CD1 3.88Å |
| 1461 | S | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.8 | -49.8 | 172.1 | 168.6 | 0 | 0 | 0 | 0 | 111.9 | F1457 H1458 Y1463 Y1464 G1465 G1521 H1523 | F1457-S1461 WeakPolarHBondContact O-CB 3.32Å; F1457-S1461 PolarHBondContact O-N 2.86Å; H1458-S1461 PolarHBondContact O-N 2.83Å; S1461-Y1463 VanDerWaalsContact C-N 3.28Å; S1461-Y1463 PolarHBondContact O-N 3.45Å; S1461-Y1464 PolarHBondContact O-N 3.07Å; S1461-G1465 PolarHBondContact O-N 2.85Å; S1461-G1521 VanDerWaalsContact CB-O 3.28Å; S1461-G1521 WeakPolarHBondContact CB-O 3.48Å; S1461-G1521 PolarHBondContact OG-O 3.22Å; S1461-H1523 PolarHBondContact O-CE1 3.01Å; S1461-H1523 PolarHBondContact OG-CE1 2.89Å; S1461-H1523 PolarHBondContact OG-ND1 3.35Å |
| 1462 | L | 96.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 176.4 | -178.6 | 69.1 | 0 | 0 | 0 | 111.1 | W1416 L1417 L1420 L1422 F1429 L1447 M1453 H1458 R1459 L1460 G1465 I1466 | W1416-L1462 HydrophobicContact CH2-CD1 3.74Å; W1416-L1462 HydrophobicContact CZ3-CD1 3.81Å; L1417-L1462 HydrophobicContact CD1-CD1 4.1Å; L1420-L1462 HydrophobicContact CD1-CD1 4.37Å; L1422-L1462 HydrophobicContact CD1-CB 4.09Å; L1422-L1462 HydrophobicContact CD1-CD1 4.5Å; F1429-L1462 HydrophobicContact CZ-CD1 4.38Å; F1429-L1462 HydrophobicContact CZ-CD2 4.01Å; L1447-L1462 HydrophobicContact CD2-CD2 3.51Å; M1453-L1462 HydrophobicContact CE-CD2 4.15Å; M1453-L1462 HydrophobicContact SD-CB 4.33Å; M1453-L1462 HydrophobicContact SD-CD2 4.08Å; H1458-L1462 WeakPolarHBondContact O-CB 3.22Å; H1458-L1462 PolarHBondContact O-N 2.93Å; R1459-L1462 PolarHBondContact O-N 3.27Å; L1460-L1462 PolarHBondContact O-N 2.95Å; L1462-G1465 WeakPolarHBondContact O-CA 3.36Å; L1462-G1465 PolarHBondContact O-N 3.2Å; L1462-I1466 HydrophobicContact CG-CD1 4.06Å; L1462-I1466 VanDerWaalsContact O-CG1 3.28Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.18Å; L1462-I1466 PolarHBondContact O-N 3.34Å |
| 1463 | Y | 94.6 | Very high | 91.4 | Very high | 14 Ų | 14 | 37.4 Ų | 37.4 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.9 | -49.5 | 177.6 | 171.7 | -101.1 | 0 | 0 | 0 | 112.5 | R1459 L1460 S1461 G1465 I1466 M1467 T1586 A1587 W1590 | R1459-Y1463 PolarHBondContact O-N 3.08Å; L1460-Y1463 WeakPolarHBondContact O-CB 3.38Å; L1460-Y1463 PolarHBondContact O-N 3.13Å; S1461-Y1463 VanDerWaalsContact C-N 3.28Å; S1461-Y1463 PolarHBondContact O-N 3.45Å; Y1463-G1465 VanDerWaalsContact C-N 3.29Å; Y1463-G1465 PolarHBondContact O-N 2.96Å; Y1463-I1466 WeakPolarHBondContact O-CB 3.43Å; Y1463-I1466 PolarHBondContact O-N 3.13Å; Y1463-I1466 VanDerWaalsContact O-N 3.09Å; Y1463-M1467 HydrophobicContact CD1-CG 4.34Å; Y1463-M1467 HydrophobicContact CD1-SD 4.08Å; Y1463-M1467 HydrophobicContact CE1-CG 3.84Å; Y1463-M1467 HydrophobicContact CE1-SD 3.24Å; Y1463-M1467 WeakPolarHBondContact CE1-SD 3.24Å; Y1463-M1467 HydrophobicContact CE2-CG 4.19Å; Y1463-M1467 HydrophobicContact CE2-SD 4.47Å; Y1463-M1467 VanDerWaalsContact CZ-SD 3.51Å; Y1463-M1467 WeakPolarHBondContact O-CG 3.35Å; Y1463-M1467 PolarHBondContact O-N 2.91Å; Y1463-T1586 PolarHBondContact OH-O 3.27Å; Y1463-A1587 HydrophobicContact CD1-CB 4.19Å; Y1463-A1587 HydrophobicContact CE1-CB 3.42Å; Y1463-A1587 VanDerWaalsContact CE1-CB 3.42Å; Y1463-A1587 WeakPolarHBondContact OH-CA 3.42Å; Y1463-A1587 PolarHBondContact OH-N 3.35Å; Y1463-W1590 HydrophobicContact CD2-CB 3.96Å; Y1463-W1590 AromaticContact CD2-CD2 3.67Å; Y1463-W1590 HydrophobicContact CD2-CD2 3.67Å; Y1463-W1590 AromaticContact CD2-CE3 3.39Å; Y1463-W1590 HydrophobicContact CD2-CE3 3.39Å; Y1463-W1590 AromaticContact CD2-CG 3.94Å; Y1463-W1590 HydrophobicContact CD2-CG 3.94Å; Y1463-W1590 HydrophobicContact CD2-CZ3 4.13Å; Y1463-W1590 HydrophobicContact CE2-CB 3.42Å; Y1463-W1590 VanDerWaalsContact CE2-CB 3.42Å; Y1463-W1590 AromaticContact CE2-CD2 3.51Å; Y1463-W1590 HydrophobicContact CE2-CD2 3.51Å; Y1463-W1590 AromaticContact CE2-CE3 3.78Å; Y1463-W1590 HydrophobicContact CE2-CE3 3.78Å; Y1463-W1590 AromaticContact CE2-CG 3.36Å; Y1463-W1590 HydrophobicContact CE2-CG 3.36Å |
| 1464 | Y | 95.3 | Very high | 91 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.7 | -30.2 | 177.7 | -69.9 | -61.3 | 0 | 0 | 0 | 112.8 | L1460 S1461 M1467 C1468 L1526 L1529 D1530 | L1460-Y1464 HydrophobicContact CD1-CD2 4.16Å; L1460-Y1464 HydrophobicContact CD1-CE2 3.47Å; L1460-Y1464 VanDerWaalsContact CD1-CE2 3.47Å; L1460-Y1464 HydrophobicContact CD2-CE2 4.1Å; L1460-Y1464 HydrophobicContact CG-CD2 3.93Å; L1460-Y1464 HydrophobicContact CG-CE2 3.51Å; L1460-Y1464 WeakPolarHBondContact O-CD2 3.31Å; L1460-Y1464 PolarHBondContact O-N 3.36Å; S1461-Y1464 PolarHBondContact O-N 3.07Å; Y1464-M1467 HydrophobicContact CD1-SD 3.77Å; Y1464-M1467 HydrophobicContact CE1-SD 4.02Å; Y1464-M1467 PolarHBondContact O-N 3.18Å; Y1464-C1468 PolarHBondContact O-N 3.37Å; Y1464-L1526 HydrophobicContact CD2-CD1 3.51Å; Y1464-L1526 HydrophobicContact CE2-CD1 4.01Å; Y1464-L1526 HydrophobicContact CG-CD1 4.46Å; Y1464-L1529 HydrophobicContact CD1-CB 3.45Å; Y1464-L1529 VanDerWaalsContact CD1-CB 3.45Å; Y1464-L1529 HydrophobicContact CD1-CD1 4.18Å; Y1464-L1529 HydrophobicContact CD1-CG 4.49Å; Y1464-L1529 HydrophobicContact CE1-CB 3.81Å; Y1464-L1529 WeakPolarHBondContact CE1-O 3.49Å; Y1464-L1529 HydrophobicContact CG-CB 4.26Å; Y1464-D1530 HydrophobicContact CD2-CB 4.15Å; Y1464-D1530 HydrophobicContact CE2-CB 3.51Å |
| 1465 | G | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -45.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1461 L1462 Y1463 C1468 L1469 | S1461-G1465 PolarHBondContact O-N 2.85Å; L1462-G1465 WeakPolarHBondContact O-CA 3.36Å; L1462-G1465 PolarHBondContact O-N 3.2Å; Y1463-G1465 VanDerWaalsContact C-N 3.29Å; Y1463-G1465 PolarHBondContact O-N 2.96Å; G1465-C1468 WeakPolarHBondContact O-CB 3.33Å; G1465-C1468 PolarHBondContact O-N 3.44Å; G1465-L1469 PolarHBondContact O-N 2.99Å; G1465-L1469 VanDerWaalsContact O-N 3.09Å |
| 1466 | I | 92.5 | Very high | 90.4 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.4 | -64.2 | 165.5 | 0 | 0 | 0 | 110.5 | W1416 L1439 L1462 Y1463 C1468 L1469 K1470 W1590 | W1416-I1466 HydrophobicContact CH2-CG1 3.92Å; W1416-I1466 HydrophobicContact CZ2-CG1 4.43Å; L1439-I1466 HydrophobicContact CB-CD1 3.96Å; L1439-I1466 HydrophobicContact CB-CG1 3.99Å; L1439-I1466 HydrophobicContact CB-CG2 4.39Å; L1439-I1466 HydrophobicContact CD1-CG1 4.18Å; L1439-I1466 HydrophobicContact CD2-CD1 4.39Å; L1439-I1466 HydrophobicContact CD2-CG1 4.43Å; L1439-I1466 HydrophobicContact CG-CG1 4.43Å; L1462-I1466 HydrophobicContact CG-CD1 4.06Å; L1462-I1466 VanDerWaalsContact O-CG1 3.28Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.18Å; L1462-I1466 PolarHBondContact O-N 3.34Å; Y1463-I1466 WeakPolarHBondContact O-CB 3.43Å; Y1463-I1466 PolarHBondContact O-N 3.13Å; Y1463-I1466 VanDerWaalsContact O-N 3.09Å; I1466-C1468 VanDerWaalsContact C-N 3.3Å; I1466-C1468 PolarHBondContact O-N 3.45Å; I1466-L1469 PolarHBondContact O-N 3.27Å; I1466-K1470 HydrophobicContact CG2-CD 4.32Å; I1466-K1470 HydrophobicContact CG2-CG 4.48Å; I1466-K1470 WeakPolarHBondContact O-CG 3.42Å; I1466-K1470 PolarHBondContact O-N 3.46Å; I1466-W1590 HydrophobicContact CD1-CH2 4.48Å; I1466-W1590 HydrophobicContact CD1-CZ3 4.45Å |
| 1467 | M | 89.3 | Confident | 90.1 | Very high | 42 Ų | 42 | 34.5 Ų | 34.5 | 21% | 0.207 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -37.8 | 174.9 | -70.6 | -168.7 | 83.4 | 0 | 0 | 112.3 | Y1463 Y1464 K1470 R1471 L1529 | Y1463-M1467 HydrophobicContact CD1-CG 4.34Å; Y1463-M1467 HydrophobicContact CD1-SD 4.08Å; Y1463-M1467 HydrophobicContact CE1-CG 3.84Å; Y1463-M1467 HydrophobicContact CE1-SD 3.24Å; Y1463-M1467 WeakPolarHBondContact CE1-SD 3.24Å; Y1463-M1467 HydrophobicContact CE2-CG 4.19Å; Y1463-M1467 HydrophobicContact CE2-SD 4.47Å; Y1463-M1467 VanDerWaalsContact CZ-SD 3.51Å; Y1463-M1467 WeakPolarHBondContact O-CG 3.35Å; Y1463-M1467 PolarHBondContact O-N 2.91Å; Y1464-M1467 HydrophobicContact CD1-SD 3.77Å; Y1464-M1467 HydrophobicContact CE1-SD 4.02Å; Y1464-M1467 PolarHBondContact O-N 3.18Å; M1467-K1470 PolarHBondContact O-N 3.02Å; M1467-R1471 WeakPolarHBondContact O-CG 3.5Å; M1467-R1471 PolarHBondContact O-N 3.44Å; M1467-L1529 HydrophobicContact CB-CD1 3.98Å |
| 1468 | C | 91.9 | Very high | 89.7 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -46.6 | 174.1 | -174.6 | 0 | 0 | 0 | 0 | 111 | Y1464 G1465 I1466 K1470 R1471 L1472 L1494 A1525 | Y1464-C1468 PolarHBondContact O-N 3.37Å; G1465-C1468 WeakPolarHBondContact O-CB 3.33Å; G1465-C1468 PolarHBondContact O-N 3.44Å; I1466-C1468 VanDerWaalsContact C-N 3.3Å; I1466-C1468 PolarHBondContact O-N 3.45Å; C1468-K1470 PolarHBondContact O-N 3.45Å; C1468-R1471 PolarHBondContact O-N 3.05Å; C1468-L1472 WeakPolarHBondContact O-CG 3.48Å; C1468-L1472 PolarHBondContact O-N 2.91Å; C1468-L1494 PolarHBondContact SG-O 3.13Å; C1468-L1494 VanDerWaalsContact SG-O 3.41Å; C1468-A1525 HydrophobicContact CB-CB 3.61Å |
| 1469 | L | 90.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 174.1 | -71.4 | -178.4 | 0 | 0 | 0 | 112.3 | W1411 W1416 L1439 G1465 I1466 R1471 L1472 D1473 Y1474 I1479 | W1411-L1469 HydrophobicContact CH2-CD2 4.14Å; W1411-L1469 HydrophobicContact CZ3-CD2 4.49Å; W1416-L1469 HydrophobicContact CD2-CD1 4.12Å; W1416-L1469 HydrophobicContact CH2-CD1 4.15Å; W1416-L1469 HydrophobicContact CZ2-CD1 3.38Å; W1416-L1469 HydrophobicContact CZ2-CG 3.92Å; L1439-L1469 HydrophobicContact CD1-CD1 3.8Å; G1465-L1469 PolarHBondContact O-N 2.99Å; G1465-L1469 VanDerWaalsContact O-N 3.09Å; I1466-L1469 PolarHBondContact O-N 3.27Å; L1469-R1471 VanDerWaalsContact C-N 3.33Å; L1469-R1471 PolarHBondContact O-N 3.41Å; L1469-L1472 CarbonylContact O-C 3.45Å; L1469-L1472 PolarHBondContact O-N 2.87Å; L1469-L1472 VanDerWaalsContact O-N 3.12Å; L1469-D1473 PolarHBondContact O-N 3.43Å; L1469-Y1474 HydrophobicContact CB-CD1 3.87Å; L1469-Y1474 HydrophobicContact CB-CE1 3.88Å; L1469-Y1474 HydrophobicContact CB-CG 4.48Å; L1469-Y1474 HydrophobicContact CD1-CD1 4.26Å; L1469-Y1474 HydrophobicContact CD1-CE1 4.23Å; L1469-Y1474 PolarHBondContact O-N 2.94Å; L1469-I1479 HydrophobicContact CD2-CD1 4Å |
| 1470 | K | 86.9 | Confident | 88.9 | Confident | 84 Ų | 84 | 34.6 Ų | 34.6 | 37% | 0.365 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 176.7 | -76.4 | -179.7 | 174.6 | -177.9 | 0 | 112.3 | I1466 M1467 C1468 L1472 D1473 Y1474 | I1466-K1470 HydrophobicContact CG2-CD 4.32Å; I1466-K1470 HydrophobicContact CG2-CG 4.48Å; I1466-K1470 WeakPolarHBondContact O-CG 3.42Å; I1466-K1470 PolarHBondContact O-N 3.46Å; M1467-K1470 PolarHBondContact O-N 3.02Å; C1468-K1470 PolarHBondContact O-N 3.45Å; K1470-L1472 PolarHBondContact O-N 3.44Å; K1470-D1473 PolarHBondContact O-N 3.41Å; K1470-D1473 VanDerWaalsContact O-N 3.14Å; K1470-Y1474 HydrophobicContact CB-CE2 4.31Å; K1470-Y1474 VanDerWaalsContact CE-OH 3.3Å; K1470-Y1474 WeakPolarHBondContact CE-OH 3.48Å; K1470-Y1474 HydrophobicContact CG-CE2 3.55Å; K1470-Y1474 VanDerWaalsContact CG-OH 3.25Å; K1470-Y1474 WeakPolarHBondContact CG-OH 3.48Å |
| 1471 | R | 85.8 | Confident | 88.8 | Confident | 68 Ų | 68 | 39 Ų | 39 | 26% | 0.257 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.2 | -18.8 | 177.2 | -77.4 | -167.1 | 175.6 | 94.1 | -6.8 | 113.9 | M1467 C1468 L1469 M1582 | M1467-R1471 WeakPolarHBondContact O-CG 3.5Å; M1467-R1471 PolarHBondContact O-N 3.44Å; C1468-R1471 PolarHBondContact O-N 3.05Å; L1469-R1471 VanDerWaalsContact C-N 3.33Å; L1469-R1471 PolarHBondContact O-N 3.41Å; R1471-M1582 PolarHBondContact NH2-SD 2.9Å |
| 1472 | L | 84.6 | Confident | 88.6 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 16.1 | 174.4 | -61.5 | 176.2 | 0 | 0 | 0 | 111.8 | C1468 L1469 K1470 Y1474 D1475 E1478 I1479 V1495 | C1468-L1472 WeakPolarHBondContact O-CG 3.48Å; C1468-L1472 PolarHBondContact O-N 2.91Å; L1469-L1472 CarbonylContact O-C 3.45Å; L1469-L1472 PolarHBondContact O-N 2.87Å; L1469-L1472 VanDerWaalsContact O-N 3.12Å; K1470-L1472 PolarHBondContact O-N 3.44Å; L1472-Y1474 PolarHBondContact O-N 2.88Å; L1472-D1475 WeakPolarHBondContact O-CB 3.17Å; L1472-D1475 PolarHBondContact O-N 2.71Å; L1472-E1478 HydrophobicContact CD2-CG 4.47Å; L1472-I1479 HydrophobicContact CD1-CB 3.69Å; L1472-I1479 HydrophobicContact CD1-CD1 4.1Å; L1472-I1479 HydrophobicContact CD1-CG1 3.8Å; L1472-V1495 HydrophobicContact CD1-CG1 4.05Å |
| 1473 | D | 78.3 | Confident | 88.4 | Confident | 106 Ų | 106 | 42 Ų | 42 | 57% | 0.567 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 29.5 | -178 | -62.9 | -38.3 | 0 | 0 | 0 | 113.8 | L1469 K1470 D1475 | L1469-D1473 PolarHBondContact O-N 3.43Å; K1470-D1473 PolarHBondContact O-N 3.41Å; K1470-D1473 VanDerWaalsContact O-N 3.14Å; D1473-D1475 PolarHBondContact O-N 3.28Å |
| 1474 | Y | 85.9 | Confident | 88.1 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 10% | 0.102 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 34.2 | -173.3 | -64.1 | -95.8 | 0 | 0 | 0 | 112.8 | P1401 L1402 L1407 A1436 L1469 K1470 L1472 R1476 | P1401-Y1474 VanDerWaalsContact CB-O 3.23Å; P1401-Y1474 WeakPolarHBondContact CB-O 3.48Å; P1401-Y1474 WeakPolarHBondContact CG-O 3.3Å; L1402-Y1474 HydrophobicContact CD1-CD2 4.18Å; L1402-Y1474 HydrophobicContact CD1-CG 3.95Å; L1402-Y1474 HydrophobicContact CD2-CD1 4.39Å; L1402-Y1474 HydrophobicContact CD2-CG 4.44Å; L1402-Y1474 HydrophobicContact CG-CG 4.45Å; L1407-Y1474 HydrophobicContact CD1-CD1 4.25Å; L1407-Y1474 HydrophobicContact CD1-CG 4.47Å; L1407-Y1474 WeakPolarHBondContact CD1-O 3.36Å; A1436-Y1474 HydrophobicContact CB-CD1 4.12Å; A1436-Y1474 HydrophobicContact CB-CE1 4.39Å; L1469-Y1474 HydrophobicContact CB-CD1 3.87Å; L1469-Y1474 HydrophobicContact CB-CE1 3.88Å; L1469-Y1474 HydrophobicContact CB-CG 4.48Å; L1469-Y1474 HydrophobicContact CD1-CD1 4.26Å; L1469-Y1474 HydrophobicContact CD1-CE1 4.23Å; L1469-Y1474 PolarHBondContact O-N 2.94Å; K1470-Y1474 HydrophobicContact CB-CE2 4.31Å; K1470-Y1474 VanDerWaalsContact CE-OH 3.3Å; K1470-Y1474 WeakPolarHBondContact CE-OH 3.48Å; K1470-Y1474 HydrophobicContact CG-CE2 3.55Å; K1470-Y1474 VanDerWaalsContact CG-OH 3.25Å; K1470-Y1474 WeakPolarHBondContact CG-OH 3.48Å; L1472-Y1474 PolarHBondContact O-N 2.88Å; Y1474-R1476 PolarHBondContact O-N 3.28Å |
| 1475 | D | 80.9 | Confident | 87.7 | Confident | 56 Ų | 56 | 51 Ų | 51 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | trans | -84.8 | 106.2 | 173.4 | -171.8 | -21.9 | 0 | 0 | 0 | 110.6 | L1472 D1473 S1477 E1478 I1479 | L1472-D1475 WeakPolarHBondContact O-CB 3.17Å; L1472-D1475 PolarHBondContact O-N 2.71Å; D1473-D1475 PolarHBondContact O-N 3.28Å; D1475-S1477 VanDerWaalsContact C-N 3.33Å; D1475-S1477 PolarHBondContact O-N 2.97Å; D1475-S1477 WeakPolarHBondContact OD1-CB 3.47Å; D1475-S1477 PolarHBondContact OD1-N 2.92Å; D1475-E1478 HydrophobicContact CB-CB 3.81Å; D1475-E1478 PolarHBondContact O-N 3.23Å; D1475-E1478 PolarHBondContact OD1-N 3.41Å; D1475-E1478 VanDerWaalsContact OD1-N 3.09Å; D1475-I1479 PolarHBondContact O-N 3.02Å; D1475-I1479 VanDerWaalsContact O-N 3.14Å | ||
| 1476 | R | 86.3 | Confident | 87.3 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 31% | 0.306 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.3 | -42 | 177 | 179.9 | 178.5 | 167 | 179.5 | -4.4 | 112.5 | E1406 L1407 W1411 Y1474 E1478 I1479 E1480 | E1406-R1476 WeakPolarHBondContact O-CD 3.41Å; E1406-R1476 PolarHBondContact O-NH1 3.15Å; L1407-R1476 HydrophobicContact CD2-CB 3.86Å; L1407-R1476 HydrophobicContact CD2-CG 4.38Å; L1407-R1476 HydrophobicContact CG-CB 4.37Å; W1411-R1476 HydrophobicContact CZ2-CG 4.11Å; Y1474-R1476 PolarHBondContact O-N 3.28Å; R1476-E1478 VanDerWaalsContact C-N 3.32Å; R1476-I1479 WeakPolarHBondContact O-CG2 3.36Å; R1476-E1480 WeakPolarHBondContact CG-OE1 3.45Å; R1476-E1480 IonicContact CZ-OE1 3.88Å; R1476-E1480 IonicContact NE-OE1 2.71Å; R1476-E1480 PolarHBondContact NE-OE1 2.69Å; R1476-E1480 IonicContact NE-OE2 3.54Å; R1476-E1480 IonicContact NH2-OE1 3.45Å; R1476-E1480 PolarHBondContact NH2-OE1 3.44Å; R1476-E1480 WeakPolarHBondContact O-CG 3.42Å; R1476-E1480 PolarHBondContact O-N 2.92Å |
| 1477 | S | 83.8 | Confident | 86.8 | Confident | 75 Ų | 75 | 55.5 Ų | 55.5 | 52% | 0.524 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.7 | -36.2 | -177.3 | -64.1 | 0 | 0 | 0 | 0 | 110.7 | D1475 R1481 | D1475-S1477 VanDerWaalsContact C-N 3.33Å; D1475-S1477 PolarHBondContact O-N 2.97Å; D1475-S1477 WeakPolarHBondContact OD1-CB 3.47Å; D1475-S1477 PolarHBondContact OD1-N 2.92Å; S1477-R1481 WeakPolarHBondContact O-CB 3.32Å; S1477-R1481 PolarHBondContact O-N 3.2Å |
| 1478 | E | 85.9 | Confident | 86.4 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.5 | -40.4 | 179.1 | -174.7 | 58.9 | -164.6 | 0 | 0 | 112.5 | L1472 D1475 R1476 R1481 R1482 | L1472-E1478 HydrophobicContact CD2-CG 4.47Å; D1475-E1478 HydrophobicContact CB-CB 3.81Å; D1475-E1478 PolarHBondContact O-N 3.23Å; D1475-E1478 PolarHBondContact OD1-N 3.41Å; D1475-E1478 VanDerWaalsContact OD1-N 3.09Å; R1476-E1478 VanDerWaalsContact C-N 3.32Å; E1478-R1481 PolarHBondContact O-N 3.29Å; E1478-R1481 IonicContact OE1-CZ 3.49Å; E1478-R1481 IonicContact OE1-NE 3.18Å; E1478-R1481 IonicContact OE1-NH2 3.88Å; E1478-R1481 PolarHBondContact OE1-NH2 2.87Å; E1478-R1481 IonicContact OE2-CZ 3.55Å; E1478-R1481 IonicContact OE2-NE 3.79Å; E1478-R1481 PolarHBondContact OE2-NE 3.01Å; E1478-R1481 IonicContact OE2-NH2 3.43Å; E1478-R1481 PolarHBondContact OE2-NH2 3.03Å; E1478-R1482 WeakPolarHBondContact O-CB 3.48Å; E1478-R1482 VanDerWaalsContact O-CG 3.3Å; E1478-R1482 WeakPolarHBondContact O-CG 3.46Å; E1478-R1482 PolarHBondContact O-N 3.41Å; E1478-R1482 WeakPolarHBondContact OE1-CD 3.33Å |
| 1479 | I | 87.5 | Confident | 85.9 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 175.5 | -169.2 | 170.4 | 0 | 0 | 0 | 111.7 | W1411 L1469 L1472 D1475 R1476 R1482 R1483 | W1411-I1479 HydrophobicContact CH2-CG2 4.43Å; W1411-I1479 HydrophobicContact CZ2-CG2 4.22Å; L1469-I1479 HydrophobicContact CD2-CD1 4Å; L1472-I1479 HydrophobicContact CD1-CB 3.69Å; L1472-I1479 HydrophobicContact CD1-CD1 4.1Å; L1472-I1479 HydrophobicContact CD1-CG1 3.8Å; D1475-I1479 PolarHBondContact O-N 3.02Å; D1475-I1479 VanDerWaalsContact O-N 3.14Å; R1476-I1479 WeakPolarHBondContact O-CG2 3.36Å; I1479-R1482 PolarHBondContact O-N 3.14Å; I1479-R1483 WeakPolarHBondContact O-CB 3.46Å; I1479-R1483 VanDerWaalsContact O-CG 3.28Å; I1479-R1483 WeakPolarHBondContact O-CG 3.39Å; I1479-R1483 PolarHBondContact O-N 3.13Å |
| 1480 | E | 87.9 | Confident | 85.4 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 177.2 | -74.1 | 168.3 | -177.7 | 0 | 0 | 110.4 | W1411 R1476 R1482 R1483 E1484 | W1411-E1480 PolarHBondContact NE1-OE1 3.23Å; R1476-E1480 WeakPolarHBondContact CG-OE1 3.45Å; R1476-E1480 IonicContact CZ-OE1 3.88Å; R1476-E1480 IonicContact NE-OE1 2.71Å; R1476-E1480 PolarHBondContact NE-OE1 2.69Å; R1476-E1480 IonicContact NE-OE2 3.54Å; R1476-E1480 IonicContact NH2-OE1 3.45Å; R1476-E1480 PolarHBondContact NH2-OE1 3.44Å; R1476-E1480 WeakPolarHBondContact O-CG 3.42Å; R1476-E1480 PolarHBondContact O-N 2.92Å; E1480-R1482 PolarHBondContact O-N 2.67Å; E1480-R1483 PolarHBondContact O-N 3.39Å; E1480-E1484 WeakPolarHBondContact O-CG 3.45Å; E1480-E1484 PolarHBondContact O-N 3.45Å |
| 1481 | R | 90.3 | Very high | 85.3 | Confident | 127 Ų | 127 | 65.8 Ų | 65.8 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 176.5 | -171.3 | -168 | 74.8 | 75.1 | 0.9 | 112.9 | S1477 E1478 A1485 | S1477-R1481 WeakPolarHBondContact O-CB 3.32Å; S1477-R1481 PolarHBondContact O-N 3.2Å; E1478-R1481 PolarHBondContact O-N 3.29Å; E1478-R1481 IonicContact OE1-CZ 3.49Å; E1478-R1481 IonicContact OE1-NE 3.18Å; E1478-R1481 IonicContact OE1-NH2 3.88Å; E1478-R1481 PolarHBondContact OE1-NH2 2.87Å; E1478-R1481 IonicContact OE2-CZ 3.55Å; E1478-R1481 IonicContact OE2-NE 3.79Å; E1478-R1481 PolarHBondContact OE2-NE 3.01Å; E1478-R1481 IonicContact OE2-NH2 3.43Å; E1478-R1481 PolarHBondContact OE2-NH2 3.03Å; R1481-A1485 WeakPolarHBondContact O-CB 3.19Å; R1481-A1485 PolarHBondContact O-N 2.89Å; R1481-A1485 VanDerWaalsContact O-N 3.11Å |
| 1482 | R | 90.2 | Very high | 85.3 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 11% | 0.109 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.3 | -38.5 | 178.8 | -71.1 | 178.2 | 69.2 | 159.8 | 1.7 | 111.5 | E1478 I1479 E1480 A1485 C1486 D1492 V1495 | E1478-R1482 WeakPolarHBondContact O-CB 3.48Å; E1478-R1482 VanDerWaalsContact O-CG 3.3Å; E1478-R1482 WeakPolarHBondContact O-CG 3.46Å; E1478-R1482 PolarHBondContact O-N 3.41Å; E1478-R1482 WeakPolarHBondContact OE1-CD 3.33Å; I1479-R1482 PolarHBondContact O-N 3.14Å; E1480-R1482 PolarHBondContact O-N 2.67Å; R1482-A1485 PolarHBondContact O-N 2.92Å; R1482-C1486 PolarHBondContact O-N 3.37Å; R1482-D1492 IonicContact CZ-OD1 3.82Å; R1482-D1492 IonicContact CZ-OD2 3.46Å; R1482-D1492 VanDerWaalsContact CZ-OD2 3.23Å; R1482-D1492 IonicContact NE-OD1 3.15Å; R1482-D1492 IonicContact NE-OD2 3.56Å; R1482-D1492 PolarHBondContact NE-OD2 2.94Å; R1482-D1492 IonicContact NH2-OD1 3.78Å; R1482-D1492 PolarHBondContact NH2-OD1 2.99Å; R1482-D1492 IonicContact NH2-OD2 2.64Å; R1482-D1492 PolarHBondContact NH2-OD2 3.21Å; R1482-V1495 HydrophobicContact CB-CB 4.31Å; R1482-V1495 HydrophobicContact CB-CG1 4Å; R1482-V1495 HydrophobicContact CB-CG2 3.85Å |
| 1483 | R | 92.7 | Very high | 85.6 | Confident | 36 Ų | 36 | 63 Ų | 63 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 174.4 | -79.8 | 174.2 | 172.9 | -175.2 | -3.9 | 112.3 | S1419 I1479 E1480 A1485 C1486 Q1487 V1495 | S1419-R1483 VanDerWaalsContact CB-NH1 3.35Å; S1419-R1483 PolarHBondContact OG-NH1 3.35Å; S1419-R1483 PolarHBondContact OG-NH2 2.98Å; I1479-R1483 WeakPolarHBondContact O-CB 3.46Å; I1479-R1483 VanDerWaalsContact O-CG 3.28Å; I1479-R1483 WeakPolarHBondContact O-CG 3.39Å; I1479-R1483 PolarHBondContact O-N 3.13Å; E1480-R1483 PolarHBondContact O-N 3.39Å; R1483-A1485 VanDerWaalsContact C-N 3.34Å; R1483-A1485 PolarHBondContact O-N 3.26Å; R1483-C1486 PolarHBondContact O-N 3.2Å; R1483-C1486 PolarHBondContact O-SG 3.47Å; R1483-Q1487 PolarHBondContact O-N 3.38Å; R1483-V1495 HydrophobicContact CG-CB 4.19Å; R1483-V1495 HydrophobicContact CG-CG2 4.31Å; R1483-V1495 WeakPolarHBondContact CG-O 3.42Å; R1483-V1495 PolarHBondContact NE-O 3.01Å |
| 1484 | E | 89.1 | Confident | 86.3 | Confident | 150 Ų | 150 | 58.7 Ų | 58.7 | 70% | 0.701 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.7 | -41.5 | 174.8 | -72.2 | 175.6 | -178.2 | 0 | 0 | 111.9 | E1480 C1486 Q1487 | E1480-E1484 WeakPolarHBondContact O-CG 3.45Å; E1480-E1484 PolarHBondContact O-N 3.45Å; E1484-C1486 VanDerWaalsContact C-N 3.34Å; E1484-C1486 PolarHBondContact O-N 3.41Å; E1484-Q1487 WeakPolarHBondContact O-CB 3.41Å; E1484-Q1487 PolarHBondContact O-N 3.3Å |
| 1485 | A | 86.2 | Confident | 86.6 | Confident | 65 Ų | 65 | 57.5 Ų | 57.5 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.5 | -33 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1481 R1482 R1483 S1489 | R1481-A1485 WeakPolarHBondContact O-CB 3.19Å; R1481-A1485 PolarHBondContact O-N 2.89Å; R1481-A1485 VanDerWaalsContact O-N 3.11Å; R1482-A1485 PolarHBondContact O-N 2.92Å; R1483-A1485 VanDerWaalsContact C-N 3.34Å; R1483-A1485 PolarHBondContact O-N 3.26Å; A1485-S1489 PolarHBondContact O-OG 3.3Å; A1485-S1489 VanDerWaalsContact O-OG 3.05Å |
| 1486 | C | 86.3 | Confident | 87.3 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -86.8 | -2 | 178.2 | 74.8 | 0 | 0 | 0 | 0 | 114.4 | R1482 R1483 E1484 N1488 S1489 N1491 D1492 R1500 | R1482-C1486 PolarHBondContact O-N 3.37Å; R1483-C1486 PolarHBondContact O-N 3.2Å; R1483-C1486 PolarHBondContact O-SG 3.47Å; E1484-C1486 VanDerWaalsContact C-N 3.34Å; E1484-C1486 PolarHBondContact O-N 3.41Å; C1486-N1488 VanDerWaalsContact C-N 3.26Å; C1486-N1488 PolarHBondContact O-N 3.47Å; C1486-S1489 PolarHBondContact O-N 2.94Å; C1486-N1491 VanDerWaalsContact CB-O 3.32Å; C1486-N1491 WeakPolarHBondContact CB-O 3.48Å; C1486-D1492 HydrophobicContact CB-CB 4.48Å; C1486-R1500 PolarHBondContact O-NE 3.38Å; C1486-R1500 PolarHBondContact O-NH2 3.28Å |
| 1487 | Q | 83.5 | Confident | 87.7 | Confident | 96 Ų | 96 | 51.8 Ų | 51.8 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -37.3 | -173.5 | -167.5 | 62.9 | 22 | 0 | 0 | 112.7 | R1483 E1484 R1500 | R1483-Q1487 PolarHBondContact O-N 3.38Å; E1484-Q1487 WeakPolarHBondContact O-CB 3.41Å; E1484-Q1487 PolarHBondContact O-N 3.3Å; Q1487-R1500 PolarHBondContact O-NE 2.95Å |
| 1488 | N | 80.2 | Confident | 88.3 | Confident | 162 Ų | 162 | 48.5 Ų | 48.5 | 87% | 0.866 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115 | 6.5 | -177.7 | -61.3 | -28.4 | 0 | 0 | 0 | 113.6 | C1486 | C1486-N1488 VanDerWaalsContact C-N 3.26Å; C1486-N1488 PolarHBondContact O-N 3.47Å |
| 1489 | S | 80.6 | Confident | 88.7 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 24% | 0.238 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -125.2 | 153.8 | -178.1 | 64.9 | 0 | 0 | 0 | 0 | 110.9 | A1485 C1486 N1491 R1500 | A1485-S1489 PolarHBondContact O-OG 3.3Å; A1485-S1489 VanDerWaalsContact O-OG 3.05Å; C1486-S1489 PolarHBondContact O-N 2.94Å; S1489-N1491 PolarHBondContact O-N 2.95Å; S1489-R1500 PolarHBondContact O-NH2 3.45Å |
| 1490 | L | 81.2 | Confident | 89 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 38% | 0.382 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -90.4 | 40.6 | 175 | -61.7 | -179.8 | 0 | 0 | 0 | 111.4 | W1496 L1562 | L1490-W1496 HydrophobicContact CD2-CH2 3.78Å; L1490-W1496 HydrophobicContact CD2-CZ2 4.14Å; L1490-L1562 HydrophobicContact CB-CD2 4.13Å; L1490-L1562 HydrophobicContact CD2-CD2 4.28Å |
| 1491 | N | 83.4 | Confident | 89.4 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | trans | -114.2 | 160.3 | -178 | -63.5 | -29.6 | 0 | 0 | 0 | 109.7 | C1486 S1489 L1493 W1496 | C1486-N1491 VanDerWaalsContact CB-O 3.32Å; C1486-N1491 WeakPolarHBondContact CB-O 3.48Å; S1489-N1491 PolarHBondContact O-N 2.95Å; N1491-L1493 PolarHBondContact O-N 3.09Å; N1491-W1496 PolarHBondContact O-NE1 3.26Å | ||
| 1492 | D | 86.9 | Confident | 89.6 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 10% | 0.096 | 24% | 0.235 | C | C | . | . | trans | 55.6 | 54.9 | 170.1 | -161.6 | 1.5 | 0 | 0 | 0 | 114.3 | R1482 C1486 L1494 V1495 W1496 Y1566 | R1482-D1492 IonicContact CZ-OD1 3.82Å; R1482-D1492 IonicContact CZ-OD2 3.46Å; R1482-D1492 VanDerWaalsContact CZ-OD2 3.23Å; R1482-D1492 IonicContact NE-OD1 3.15Å; R1482-D1492 IonicContact NE-OD2 3.56Å; R1482-D1492 PolarHBondContact NE-OD2 2.94Å; R1482-D1492 IonicContact NH2-OD1 3.78Å; R1482-D1492 PolarHBondContact NH2-OD1 2.99Å; R1482-D1492 IonicContact NH2-OD2 2.64Å; R1482-D1492 PolarHBondContact NH2-OD2 3.21Å; C1486-D1492 HydrophobicContact CB-CB 4.48Å; D1492-L1494 PolarHBondContact O-N 3.42Å; D1492-V1495 HydrophobicContact CB-CG2 4.35Å; D1492-V1495 WeakPolarHBondContact O-CG2 3.35Å; D1492-V1495 PolarHBondContact O-N 3.17Å; D1492-W1496 PolarHBondContact O-NE1 3.06Å; D1492-Y1566 WeakPolarHBondContact CA-OH 3.35Å; D1492-Y1566 PolarHBondContact N-OH 2.99Å | ||
| 1493 | L | 91.5 | Very high | 89.8 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -59.3 | -28.7 | -177.3 | -174.9 | 61 | 0 | 0 | 0 | 112.3 | N1491 V1495 W1496 G1524 M1527 V1528 L1562 L1563 Y1566 | N1491-L1493 PolarHBondContact O-N 3.09Å; L1493-V1495 PolarHBondContact O-N 3.38Å; L1493-V1495 VanDerWaalsContact O-N 3.13Å; L1493-W1496 HydrophobicContact CD1-CB 4.36Å; L1493-W1496 HydrophobicContact CD1-CD2 3.44Å; L1493-W1496 VanDerWaalsContact CD1-CD2 3.44Å; L1493-W1496 HydrophobicContact CD1-CE3 3.42Å; L1493-W1496 VanDerWaalsContact CD1-CE3 3.42Å; L1493-W1496 HydrophobicContact CD1-CG 3.88Å; L1493-W1496 HydrophobicContact CD1-CH2 4.28Å; L1493-W1496 HydrophobicContact CD1-CZ2 4.31Å; L1493-W1496 HydrophobicContact CD1-CZ3 3.85Å; L1493-W1496 WeakPolarHBondContact O-CB 3.47Å; L1493-W1496 PolarHBondContact O-N 3.43Å; L1493-W1496 VanDerWaalsContact O-N 3.15Å; L1493-G1524 CarbonylContact O-C 3.39Å; L1493-G1524 WeakPolarHBondContact O-CA 3.33Å; L1493-M1527 HydrophobicContact CD1-SD 4.44Å; L1493-V1528 HydrophobicContact CB-CG2 3.77Å; L1493-V1528 HydrophobicContact CD2-CG2 3.57Å; L1493-V1528 HydrophobicContact CG-CG2 3.58Å; L1493-L1562 HydrophobicContact CD2-CB 4.22Å; L1493-L1563 HydrophobicContact CD2-CD2 3.64Å; L1493-Y1566 HydrophobicContact CB-CE2 3.74Å; L1493-Y1566 PolarHBondContact N-OH 3.35Å |
| 1494 | L | 91.2 | Very high | 89.9 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -54.7 | -35 | -178.6 | -179.9 | 65.2 | 0 | 0 | 0 | 113.2 | C1468 D1492 A1525 L1529 | C1468-L1494 PolarHBondContact SG-O 3.13Å; C1468-L1494 VanDerWaalsContact SG-O 3.41Å; D1492-L1494 PolarHBondContact O-N 3.42Å; L1494-A1525 HydrophobicContact CD1-CB 4.06Å; L1494-A1525 WeakPolarHBondContact O-CB 3.45Å; L1494-A1525 PolarHBondContact O-N 3.48Å; L1494-L1529 HydrophobicContact CD1-CD1 3.88Å; L1494-L1529 HydrophobicContact CD1-CD2 3.98Å; L1494-L1529 HydrophobicContact CD1-CG 3.87Å |
| 1495 | V | 92.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -95.9 | -2.9 | -175.3 | -59 | 0 | 0 | 0 | 0 | 114.1 | L1472 R1482 R1483 D1492 L1493 S1497 | L1472-V1495 HydrophobicContact CD1-CG1 4.05Å; R1482-V1495 HydrophobicContact CB-CB 4.31Å; R1482-V1495 HydrophobicContact CB-CG1 4Å; R1482-V1495 HydrophobicContact CB-CG2 3.85Å; R1483-V1495 HydrophobicContact CG-CB 4.19Å; R1483-V1495 HydrophobicContact CG-CG2 4.31Å; R1483-V1495 WeakPolarHBondContact CG-O 3.42Å; R1483-V1495 PolarHBondContact NE-O 3.01Å; D1492-V1495 HydrophobicContact CB-CG2 4.35Å; D1492-V1495 WeakPolarHBondContact O-CG2 3.35Å; D1492-V1495 PolarHBondContact O-N 3.17Å; L1493-V1495 PolarHBondContact O-N 3.38Å; L1493-V1495 VanDerWaalsContact O-N 3.13Å; V1495-S1497 PolarHBondContact O-N 3Å |
| 1496 | W | 95.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | trans | -59.7 | 129.8 | -175.9 | -76 | 24.7 | 0 | 0 | 0 | 111.5 | L1490 N1491 D1492 L1493 R1500 V1501 W1504 G1524 L1562 | L1490-W1496 HydrophobicContact CD2-CH2 3.78Å; L1490-W1496 HydrophobicContact CD2-CZ2 4.14Å; N1491-W1496 PolarHBondContact O-NE1 3.26Å; D1492-W1496 PolarHBondContact O-NE1 3.06Å; L1493-W1496 HydrophobicContact CD1-CB 4.36Å; L1493-W1496 HydrophobicContact CD1-CD2 3.44Å; L1493-W1496 VanDerWaalsContact CD1-CD2 3.44Å; L1493-W1496 HydrophobicContact CD1-CE3 3.42Å; L1493-W1496 VanDerWaalsContact CD1-CE3 3.42Å; L1493-W1496 HydrophobicContact CD1-CG 3.88Å; L1493-W1496 HydrophobicContact CD1-CH2 4.28Å; L1493-W1496 HydrophobicContact CD1-CZ2 4.31Å; L1493-W1496 HydrophobicContact CD1-CZ3 3.85Å; L1493-W1496 WeakPolarHBondContact O-CB 3.47Å; L1493-W1496 PolarHBondContact O-N 3.43Å; L1493-W1496 VanDerWaalsContact O-N 3.15Å; W1496-R1500 HydrophobicContact CB-CB 4.29Å; W1496-R1500 HydrophobicContact CB-CG 4.12Å; W1496-R1500 HydrophobicContact CD2-CG 3.58Å; W1496-R1500 HydrophobicContact CE3-CG 3.85Å; W1496-R1500 HydrophobicContact CG-CB 4.42Å; W1496-R1500 HydrophobicContact CG-CG 3.72Å; W1496-V1501 HydrophobicContact CB-CG2 4.41Å; W1496-V1501 HydrophobicContact CE3-CG2 4.12Å; W1496-W1504 HydrophobicContact CH2-CB 4.06Å; W1496-W1504 HydrophobicContact CH2-CG 4.01Å; W1496-W1504 HydrophobicContact CZ3-CB 3.62Å; W1496-W1504 HydrophobicContact CZ3-CD2 4.23Å; W1496-W1504 AromaticContact CZ3-CG 3.75Å; W1496-W1504 HydrophobicContact CZ3-CG 3.75Å; W1496-G1524 PolarHBondContact O-N 3.31Å; W1496-L1562 HydrophobicContact CH2-CD1 4.11Å; W1496-L1562 HydrophobicContact CH2-CD2 4.28Å; W1496-L1562 HydrophobicContact CZ3-CD1 4.14Å | ||
| 1497 | S | 94.8 | Very high | 90.7 | Very high | 17 Ų | 17 | 42 Ų | 42 | 12% | 0.119 | 23% | 0.231 | C | C | . | . | trans | -74.8 | 162.2 | 169.3 | 61.3 | 0 | 0 | 0 | 0 | 111.3 | S1419 V1495 D1499 R1500 V1501 | S1419-S1497 CarbonylContact O-C 3.49Å; S1419-S1497 VanDerWaalsContact O-CA 3.26Å; S1419-S1497 WeakPolarHBondContact O-CA 3.47Å; V1495-S1497 PolarHBondContact O-N 3Å; S1497-D1499 VanDerWaalsContact C-N 3.26Å; S1497-D1499 PolarHBondContact O-N 2.94Å; S1497-R1500 WeakPolarHBondContact O-CB 3.38Å; S1497-R1500 PolarHBondContact O-N 2.8Å; S1497-R1500 PolarHBondContact OG-N 3.4Å; S1497-V1501 WeakPolarHBondContact O-CG2 3.33Å; S1497-V1501 PolarHBondContact O-N 3.47Å | ||
| 1498 | N | 96.1 | Very high | 91 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -51.9 | -45.5 | 170.3 | 178.3 | -102.9 | 0 | 0 | 0 | 111.5 | S1419 R1500 V1501 I1502 L1517 V1522 | S1419-N1498 PolarHBondContact O-N 3.2Å; N1498-R1500 VanDerWaalsContact C-N 3.29Å; N1498-R1500 PolarHBondContact O-N 2.82Å; N1498-V1501 WeakPolarHBondContact O-CB 3.3Å; N1498-V1501 PolarHBondContact O-N 3.43Å; N1498-V1501 VanDerWaalsContact O-N 3.1Å; N1498-I1502 WeakPolarHBondContact O-CG1 3.33Å; N1498-I1502 PolarHBondContact O-N 3Å; N1498-I1502 WeakPolarHBondContact OD1-CD1 3.42Å; N1498-L1517 PolarHBondContact ND2-O 3.35Å; N1498-L1517 PolarHBondContact OD1-O 2.93Å; N1498-V1522 WeakPolarHBondContact CB-O 3.35Å; N1498-V1522 PolarHBondContact ND2-O 2.85Å |
| 1499 | D | 95 | Very high | 91.5 | Very high | 107 Ų | 107 | 32.4 Ų | 32.4 | 57% | 0.572 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -58.3 | -38.2 | 175.4 | -64.4 | -44.5 | 0 | 0 | 0 | 113.2 | S1497 I1502 A1503 | S1497-D1499 VanDerWaalsContact C-N 3.26Å; S1497-D1499 PolarHBondContact O-N 2.94Å; D1499-I1502 PolarHBondContact O-N 3.44Å; D1499-A1503 WeakPolarHBondContact O-CB 3.4Å; D1499-A1503 PolarHBondContact O-N 2.96Å |
| 1500 | R | 94.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 30.8 Ų | 30.8 | 7% | 0.068 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.1 | -38.7 | 177.2 | 179.1 | 63.6 | -174 | 105 | -4.6 | 111.5 | C1486 Q1487 S1489 W1496 S1497 N1498 A1503 W1504 | C1486-R1500 PolarHBondContact O-NE 3.38Å; C1486-R1500 PolarHBondContact O-NH2 3.28Å; Q1487-R1500 PolarHBondContact O-NE 2.95Å; S1489-R1500 PolarHBondContact O-NH2 3.45Å; W1496-R1500 HydrophobicContact CB-CB 4.29Å; W1496-R1500 HydrophobicContact CB-CG 4.12Å; W1496-R1500 HydrophobicContact CD2-CG 3.58Å; W1496-R1500 HydrophobicContact CE3-CG 3.85Å; W1496-R1500 HydrophobicContact CG-CB 4.42Å; W1496-R1500 HydrophobicContact CG-CG 3.72Å; S1497-R1500 WeakPolarHBondContact O-CB 3.38Å; S1497-R1500 PolarHBondContact O-N 2.8Å; S1497-R1500 PolarHBondContact OG-N 3.4Å; N1498-R1500 VanDerWaalsContact C-N 3.29Å; N1498-R1500 PolarHBondContact O-N 2.82Å; R1500-A1503 PolarHBondContact O-N 2.96Å; R1500-W1504 PolarHBondContact O-N 2.98Å |
| 1501 | V | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | 173.5 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | W1496 S1497 N1498 A1503 W1504 L1505 L1517 M1527 F1538 | W1496-V1501 HydrophobicContact CB-CG2 4.41Å; W1496-V1501 HydrophobicContact CE3-CG2 4.12Å; S1497-V1501 WeakPolarHBondContact O-CG2 3.33Å; S1497-V1501 PolarHBondContact O-N 3.47Å; N1498-V1501 WeakPolarHBondContact O-CB 3.3Å; N1498-V1501 PolarHBondContact O-N 3.43Å; N1498-V1501 VanDerWaalsContact O-N 3.1Å; V1501-A1503 VanDerWaalsContact C-N 3.34Å; V1501-A1503 PolarHBondContact O-N 3.43Å; V1501-W1504 HydrophobicContact CG1-CE3 4.45Å; V1501-W1504 PolarHBondContact O-N 3.3Å; V1501-L1505 WeakPolarHBondContact O-CG 3.4Å; V1501-L1505 PolarHBondContact O-N 3.07Å; V1501-L1517 HydrophobicContact CB-CD1 4.49Å; V1501-L1517 HydrophobicContact CG1-CD1 3.67Å; V1501-M1527 HydrophobicContact CG1-SD 4.24Å; V1501-M1527 HydrophobicContact CG2-SD 3.93Å; V1501-F1538 HydrophobicContact CG1-CZ 3.92Å |
| 1502 | I | 94.7 | Very high | 92.6 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 8% | 0.077 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58 | -46.6 | 174.3 | -68.4 | 172.9 | 0 | 0 | 0 | 110.5 | N1498 D1499 W1504 L1505 K1506 A1514 L1517 I1518 | N1498-I1502 WeakPolarHBondContact O-CG1 3.33Å; N1498-I1502 PolarHBondContact O-N 3Å; N1498-I1502 WeakPolarHBondContact OD1-CD1 3.42Å; D1499-I1502 PolarHBondContact O-N 3.44Å; I1502-W1504 VanDerWaalsContact C-N 3.32Å; I1502-W1504 PolarHBondContact O-N 3.25Å; I1502-L1505 PolarHBondContact O-N 2.93Å; I1502-K1506 HydrophobicContact CG2-CD 4.43Å; I1502-K1506 WeakPolarHBondContact O-CG 3.42Å; I1502-K1506 PolarHBondContact O-N 3.5Å; I1502-A1514 HydrophobicContact CG2-CB 4.1Å; I1502-L1517 HydrophobicContact CD1-CB 4.17Å; I1502-L1517 HydrophobicContact CG1-CB 3.87Å; I1502-L1517 HydrophobicContact CG1-CD1 4.34Å; I1502-I1518 HydrophobicContact CD1-CG1 3.9Å |
| 1503 | A | 94.2 | Very high | 92.9 | Very high | 42 Ų | 42 | 34 Ų | 34 | 35% | 0.347 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1499 R1500 V1501 K1506 S1507 | D1499-A1503 WeakPolarHBondContact O-CB 3.4Å; D1499-A1503 PolarHBondContact O-N 2.96Å; R1500-A1503 PolarHBondContact O-N 2.96Å; V1501-A1503 VanDerWaalsContact C-N 3.34Å; V1501-A1503 PolarHBondContact O-N 3.43Å; A1503-K1506 PolarHBondContact O-N 3.46Å; A1503-S1507 PolarHBondContact O-N 3.33Å |
| 1504 | W | 94.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 174.3 | 167.7 | 74.8 | 0 | 0 | 0 | 112.1 | W1496 R1500 V1501 I1502 K1506 S1507 I1508 F1538 L1555 E1558 L1562 | W1496-W1504 HydrophobicContact CH2-CB 4.06Å; W1496-W1504 HydrophobicContact CH2-CG 4.01Å; W1496-W1504 HydrophobicContact CZ3-CB 3.62Å; W1496-W1504 HydrophobicContact CZ3-CD2 4.23Å; W1496-W1504 AromaticContact CZ3-CG 3.75Å; W1496-W1504 HydrophobicContact CZ3-CG 3.75Å; R1500-W1504 PolarHBondContact O-N 2.98Å; V1501-W1504 HydrophobicContact CG1-CE3 4.45Å; V1501-W1504 PolarHBondContact O-N 3.3Å; I1502-W1504 VanDerWaalsContact C-N 3.32Å; I1502-W1504 PolarHBondContact O-N 3.25Å; W1504-K1506 VanDerWaalsContact C-N 3.26Å; W1504-K1506 PolarHBondContact O-N 2.88Å; W1504-S1507 WeakPolarHBondContact CA-OG 3.41Å; W1504-S1507 WeakPolarHBondContact O-CA 3.29Å; W1504-S1507 WeakPolarHBondContact O-CB 3.49Å; W1504-S1507 PolarHBondContact O-N 3.41Å; W1504-S1507 PolarHBondContact O-OG 2.9Å; W1504-I1508 HydrophobicContact CH2-CD1 4Å; W1504-I1508 HydrophobicContact CZ2-CD1 4.01Å; W1504-I1508 HydrophobicContact CZ2-CG2 4.28Å; W1504-I1508 HydrophobicContact CZ3-CD1 4.35Å; W1504-I1508 PolarHBondContact O-N 3.46Å; W1504-F1538 HydrophobicContact CH2-CE1 4.46Å; W1504-F1538 AromaticContact CZ3-CE1 3.88Å; W1504-F1538 HydrophobicContact CZ3-CE1 3.88Å; W1504-F1538 HydrophobicContact CZ3-CZ 4.38Å; W1504-L1555 HydrophobicContact CH2-CD1 4.35Å; W1504-E1558 HydrophobicContact CZ2-CB 3.8Å; W1504-L1562 HydrophobicContact CD2-CD1 3.88Å; W1504-L1562 HydrophobicContact CE3-CD1 4.41Å; W1504-L1562 HydrophobicContact CG-CD1 4.43Å; W1504-L1562 HydrophobicContact CH2-CD1 3.98Å; W1504-L1562 HydrophobicContact CZ2-CD1 3.37Å; W1504-L1562 HydrophobicContact CZ2-CG 4.14Å; W1504-L1562 HydrophobicContact CZ3-CD1 4.46Å |
| 1505 | L | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58 | -39.9 | 175.4 | -76 | 176.8 | 0 | 0 | 0 | 112.3 | V1501 I1502 S1507 I1508 G1509 L1510 A1514 L1517 F1538 L1542 L1555 | V1501-L1505 WeakPolarHBondContact O-CG 3.4Å; V1501-L1505 PolarHBondContact O-N 3.07Å; I1502-L1505 PolarHBondContact O-N 2.93Å; L1505-S1507 VanDerWaalsContact C-N 3.33Å; L1505-S1507 PolarHBondContact O-N 2.96Å; L1505-I1508 HydrophobicContact CD2-CD1 3.97Å; L1505-I1508 WeakPolarHBondContact O-CG1 3.44Å; L1505-I1508 PolarHBondContact O-N 2.89Å; L1505-G1509 PolarHBondContact O-N 3Å; L1505-L1510 HydrophobicContact CD2-CD1 4.07Å; L1505-L1510 PolarHBondContact O-N 3.46Å; L1505-A1514 HydrophobicContact CB-CB 3.89Å; L1505-A1514 HydrophobicContact CD1-CB 4.42Å; L1505-L1517 HydrophobicContact CD1-CD1 3.39Å; L1505-L1517 HydrophobicContact CD1-CG 4.05Å; L1505-F1538 HydrophobicContact CD1-CZ 4.08Å; L1505-F1538 HydrophobicContact CD2-CE1 4.31Å; L1505-F1538 HydrophobicContact CD2-CZ 4.22Å; L1505-F1538 HydrophobicContact CG-CZ 4.45Å; L1505-L1542 HydrophobicContact CD1-CD1 4.05Å; L1505-L1542 HydrophobicContact CD1-CD2 3.55Å; L1505-L1542 HydrophobicContact CD1-CG 4.4Å; L1505-L1542 HydrophobicContact CD2-CD1 4.09Å; L1505-L1555 HydrophobicContact CD2-CD1 3.81Å |
| 1506 | K | 93.6 | Very high | 92.9 | Very high | 107 Ų | 107 | 42 Ų | 42 | 47% | 0.465 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.2 | -40.7 | 172.4 | -68 | -179.6 | 178 | 178.6 | 0 | 111.8 | I1502 A1503 W1504 I1508 G1509 N1511 A1514 | I1502-K1506 HydrophobicContact CG2-CD 4.43Å; I1502-K1506 WeakPolarHBondContact O-CG 3.42Å; I1502-K1506 PolarHBondContact O-N 3.5Å; A1503-K1506 PolarHBondContact O-N 3.46Å; W1504-K1506 VanDerWaalsContact C-N 3.26Å; W1504-K1506 PolarHBondContact O-N 2.88Å; K1506-I1508 PolarHBondContact O-N 3.47Å; K1506-G1509 PolarHBondContact O-N 2.91Å; K1506-G1509 VanDerWaalsContact O-N 3.14Å; K1506-N1511 WeakPolarHBondContact CD-OD1 3.46Å; K1506-N1511 VanDerWaalsContact CE-OD1 3.31Å; K1506-N1511 WeakPolarHBondContact CE-OD1 3.45Å; K1506-N1511 HydrophobicContact CG-CB 4.31Å; K1506-N1511 VanDerWaalsContact CG-OD1 3.32Å; K1506-N1511 WeakPolarHBondContact CG-OD1 3.49Å; K1506-A1514 HydrophobicContact CG-CB 3.86Å |
| 1507 | S | 90.8 | Very high | 92.8 | Very high | 85 Ų | 85 | 42 Ų | 42 | 59% | 0.594 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -68 | -30.6 | 179.9 | 76.2 | 0 | 0 | 0 | 0 | 114 | A1503 W1504 L1505 G1509 | A1503-S1507 PolarHBondContact O-N 3.33Å; W1504-S1507 WeakPolarHBondContact CA-OG 3.41Å; W1504-S1507 WeakPolarHBondContact O-CA 3.29Å; W1504-S1507 WeakPolarHBondContact O-CB 3.49Å; W1504-S1507 PolarHBondContact O-N 3.41Å; W1504-S1507 PolarHBondContact O-OG 2.9Å; L1505-S1507 VanDerWaalsContact C-N 3.33Å; L1505-S1507 PolarHBondContact O-N 2.96Å; S1507-G1509 VanDerWaalsContact C-N 3.27Å; S1507-G1509 PolarHBondContact O-N 2.94Å |
| 1508 | I | 90.7 | Very high | 92.7 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 8% | 0.082 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -1.8 | 174.5 | 67.8 | 170.8 | 0 | 0 | 0 | 112.6 | W1504 L1505 K1506 L1510 K1554 L1555 E1558 | W1504-I1508 HydrophobicContact CH2-CD1 4Å; W1504-I1508 HydrophobicContact CZ2-CD1 4.01Å; W1504-I1508 HydrophobicContact CZ2-CG2 4.28Å; W1504-I1508 HydrophobicContact CZ3-CD1 4.35Å; W1504-I1508 PolarHBondContact O-N 3.46Å; L1505-I1508 HydrophobicContact CD2-CD1 3.97Å; L1505-I1508 WeakPolarHBondContact O-CG1 3.44Å; L1505-I1508 PolarHBondContact O-N 2.89Å; K1506-I1508 PolarHBondContact O-N 3.47Å; I1508-L1510 HydrophobicContact CD1-CD1 3.77Å; I1508-L1510 HydrophobicContact CD1-CG 4.21Å; I1508-L1510 HydrophobicContact CG1-CB 4.48Å; I1508-L1510 HydrophobicContact CG1-CD1 4.32Å; I1508-L1510 HydrophobicContact CG1-CG 4.22Å; I1508-K1554 WeakPolarHBondContact O-CE 3.37Å; I1508-K1554 PolarHBondContact O-NZ 3.5Å; I1508-L1555 HydrophobicContact CD1-CD1 4.46Å; I1508-E1558 HydrophobicContact CB-CG 4.35Å; I1508-E1558 HydrophobicContact CD1-CB 4.25Å; I1508-E1558 HydrophobicContact CG2-CB 4.26Å; I1508-E1558 HydrophobicContact CG2-CG 3.97Å |
| 1509 | G | 89 | Confident | 92.6 | Very high | 40 Ų | 40 | 48.5 Ų | 48.5 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 11.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1505 K1506 S1507 N1511 | L1505-G1509 PolarHBondContact O-N 3Å; K1506-G1509 PolarHBondContact O-N 2.91Å; K1506-G1509 VanDerWaalsContact O-N 3.14Å; S1507-G1509 VanDerWaalsContact C-N 3.27Å; S1507-G1509 PolarHBondContact O-N 2.94Å; G1509-N1511 VanDerWaalsContact C-N 3.3Å; G1509-N1511 PolarHBondContact O-N 3.22Å |
| 1510 | L | 90.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -95 | 42.6 | 174.4 | -63.7 | 178 | 0 | 0 | 0 | 111.7 | L1505 I1508 E1512 Y1513 A1514 I1544 M1551 L1555 | L1505-L1510 HydrophobicContact CD2-CD1 4.07Å; L1505-L1510 PolarHBondContact O-N 3.46Å; I1508-L1510 HydrophobicContact CD1-CD1 3.77Å; I1508-L1510 HydrophobicContact CD1-CG 4.21Å; I1508-L1510 HydrophobicContact CG1-CB 4.48Å; I1508-L1510 HydrophobicContact CG1-CD1 4.32Å; I1508-L1510 HydrophobicContact CG1-CG 4.22Å; L1510-E1512 VanDerWaalsContact C-N 3.31Å; L1510-E1512 PolarHBondContact O-N 3.11Å; L1510-Y1513 HydrophobicContact CD2-CD2 4.12Å; L1510-Y1513 HydrophobicContact CD2-CE2 4.49Å; L1510-Y1513 PolarHBondContact O-N 2.89Å; L1510-A1514 WeakPolarHBondContact O-CB 3.48Å; L1510-A1514 PolarHBondContact O-N 3.37Å; L1510-A1514 VanDerWaalsContact O-N 3.08Å; L1510-I1544 HydrophobicContact CD1-CD1 4.44Å; L1510-M1551 HydrophobicContact CD2-CB 3.98Å; L1510-M1551 HydrophobicContact CD2-CE 3.71Å; L1510-M1551 HydrophobicContact CD2-CG 4.15Å; L1510-M1551 HydrophobicContact CD2-SD 3.49Å; L1510-M1551 WeakPolarHBondContact CD2-SD 3.49Å; L1510-L1555 HydrophobicContact CD1-CB 3.98Å; L1510-L1555 HydrophobicContact CD1-CD1 3.86Å; L1510-L1555 HydrophobicContact CD1-CG 4.44Å | ||
| 1511 | N | 90.1 | Very high | 92.5 | Very high | 99 Ų | 99 | 43.1 Ų | 43.1 | 53% | 0.529 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.7 | -34.9 | -172.9 | -174.5 | 29.2 | 0 | 0 | 0 | 113.1 | K1506 G1509 Y1513 A1514 | K1506-N1511 WeakPolarHBondContact CD-OD1 3.46Å; K1506-N1511 VanDerWaalsContact CE-OD1 3.31Å; K1506-N1511 WeakPolarHBondContact CE-OD1 3.45Å; K1506-N1511 HydrophobicContact CG-CB 4.31Å; K1506-N1511 VanDerWaalsContact CG-OD1 3.32Å; K1506-N1511 WeakPolarHBondContact CG-OD1 3.49Å; G1509-N1511 VanDerWaalsContact C-N 3.3Å; G1509-N1511 PolarHBondContact O-N 3.22Å; N1511-Y1513 VanDerWaalsContact C-N 3.33Å; N1511-Y1513 PolarHBondContact O-N 3.22Å; N1511-A1514 PolarHBondContact O-N 3.15Å |
| 1512 | E | 89 | Confident | 92.6 | Very high | 111 Ų | 111 | 43.1 Ų | 43.1 | 52% | 0.519 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.8 | -33 | -179 | 66.9 | -165 | 154.6 | 0 | 0 | 113.3 | L1510 K1515 M1551 | L1510-E1512 VanDerWaalsContact C-N 3.31Å; L1510-E1512 PolarHBondContact O-N 3.11Å; E1512-K1515 WeakPolarHBondContact O-CE 3.24Å; E1512-M1551 WeakPolarHBondContact OE1-CE 3.45Å |
| 1513 | Y | 91.7 | Very high | 92.6 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -91.2 | -22.9 | 179.6 | -55.4 | -71.4 | 0 | 0 | 0 | 113 | L1510 N1511 K1515 N1516 L1542 I1544 D1548 M1551 | L1510-Y1513 HydrophobicContact CD2-CD2 4.12Å; L1510-Y1513 HydrophobicContact CD2-CE2 4.49Å; L1510-Y1513 PolarHBondContact O-N 2.89Å; N1511-Y1513 VanDerWaalsContact C-N 3.33Å; N1511-Y1513 PolarHBondContact O-N 3.22Å; Y1513-K1515 PolarHBondContact O-N 3.3Å; Y1513-K1515 VanDerWaalsContact O-N 3.11Å; Y1513-N1516 VanDerWaalsContact O-CB 3.24Å; Y1513-N1516 WeakPolarHBondContact O-CB 3.3Å; Y1513-N1516 PolarHBondContact O-N 2.96Å; Y1513-L1542 WeakPolarHBondContact O-CD2 3.43Å; Y1513-I1544 HydrophobicContact CD1-CG1 3.9Å; Y1513-I1544 HydrophobicContact CD2-CD1 4.37Å; Y1513-I1544 HydrophobicContact CD2-CG1 4.01Å; Y1513-I1544 HydrophobicContact CE1-CG1 4.17Å; Y1513-I1544 HydrophobicContact CE2-CG1 4.26Å; Y1513-I1544 HydrophobicContact CG-CD1 4.49Å; Y1513-I1544 HydrophobicContact CG-CG1 3.82Å; Y1513-D1548 PolarHBondContact OH-OD2 3.16Å; Y1513-M1551 HydrophobicContact CE2-CE 4.2Å; Y1513-M1551 HydrophobicContact CE2-CG 4.45Å |
| 1514 | A | 92.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.8 | -31.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | I1502 L1505 K1506 L1510 N1511 N1516 L1517 | I1502-A1514 HydrophobicContact CG2-CB 4.1Å; L1505-A1514 HydrophobicContact CB-CB 3.89Å; L1505-A1514 HydrophobicContact CD1-CB 4.42Å; K1506-A1514 HydrophobicContact CG-CB 3.86Å; L1510-A1514 WeakPolarHBondContact O-CB 3.48Å; L1510-A1514 PolarHBondContact O-N 3.37Å; L1510-A1514 VanDerWaalsContact O-N 3.08Å; N1511-A1514 PolarHBondContact O-N 3.15Å; A1514-N1516 PolarHBondContact O-N 2.93Å; A1514-L1517 PolarHBondContact O-N 2.96Å |
| 1515 | K | 91.3 | Very high | 92.7 | Very high | 142 Ų | 142 | 40.6 Ų | 40.6 | 62% | 0.617 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -64.4 | -22.9 | 176.3 | 64.9 | -178.4 | 179 | 178.6 | 0 | 113.5 | E1512 Y1513 L1517 I1518 | E1512-K1515 WeakPolarHBondContact O-CE 3.24Å; Y1513-K1515 PolarHBondContact O-N 3.3Å; Y1513-K1515 VanDerWaalsContact O-N 3.11Å; K1515-L1517 PolarHBondContact O-N 3.12Å; K1515-I1518 WeakPolarHBondContact O-CG1 3.41Å; K1515-I1518 PolarHBondContact O-N 3.4Å |
| 1516 | N | 92.7 | Very high | 92.7 | Very high | 46 Ų | 46 | 40.6 Ų | 40.6 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -71.4 | -11.6 | -179.1 | -61.1 | -16.5 | 0 | 0 | 0 | 112.3 | Y1513 A1514 I1518 L1542 | Y1513-N1516 VanDerWaalsContact O-CB 3.24Å; Y1513-N1516 WeakPolarHBondContact O-CB 3.3Å; Y1513-N1516 PolarHBondContact O-N 2.96Å; A1514-N1516 PolarHBondContact O-N 2.93Å; N1516-I1518 VanDerWaalsContact C-N 3.34Å; N1516-L1542 PolarHBondContact ND2-O 3.04Å |
| 1517 | L | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -81.3 | -10.4 | 173.9 | -65.5 | -166.8 | 0 | 0 | 0 | 114.6 | N1498 V1501 I1502 L1505 A1514 K1515 D1519 S1520 V1522 F1538 I1541 L1542 | N1498-L1517 PolarHBondContact ND2-O 3.35Å; N1498-L1517 PolarHBondContact OD1-O 2.93Å; V1501-L1517 HydrophobicContact CB-CD1 4.49Å; V1501-L1517 HydrophobicContact CG1-CD1 3.67Å; I1502-L1517 HydrophobicContact CD1-CB 4.17Å; I1502-L1517 HydrophobicContact CG1-CB 3.87Å; I1502-L1517 HydrophobicContact CG1-CD1 4.34Å; L1505-L1517 HydrophobicContact CD1-CD1 3.39Å; L1505-L1517 HydrophobicContact CD1-CG 4.05Å; A1514-L1517 PolarHBondContact O-N 2.96Å; K1515-L1517 PolarHBondContact O-N 3.12Å; L1517-D1519 PolarHBondContact O-N 3.45Å; L1517-S1520 WeakPolarHBondContact CA-OG 3.29Å; L1517-S1520 WeakPolarHBondContact O-CB 3.39Å; L1517-S1520 PolarHBondContact O-N 2.86Å; L1517-S1520 VanDerWaalsContact O-N 3.15Å; L1517-S1520 PolarHBondContact O-OG 2.87Å; L1517-V1522 HydrophobicContact CD2-CB 4.24Å; L1517-V1522 HydrophobicContact CD2-CG2 4.17Å; L1517-F1538 HydrophobicContact CD1-CE2 3.79Å; L1517-F1538 HydrophobicContact CD1-CZ 4.04Å; L1517-F1538 HydrophobicContact CD2-CE2 3.83Å; L1517-F1538 HydrophobicContact CG-CE2 4.42Å; L1517-I1541 HydrophobicContact CD2-CG2 3.8Å; L1517-L1542 HydrophobicContact CD1-CD2 4.18Å; L1517-L1542 HydrophobicContact CD2-CD2 3.56Å; L1517-L1542 HydrophobicContact CD2-CG 4.03Å; L1517-L1542 HydrophobicContact CG-CD2 3.57Å |
| 1518 | I | 92.8 | Very high | 92.7 | Very high | 105 Ų | 105 | 32.9 Ų | 32.9 | 54% | 0.538 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 129.1 | 174.4 | -60.5 | 171 | 0 | 0 | 0 | 107.7 | I1502 K1515 N1516 S1520 | I1502-I1518 HydrophobicContact CD1-CG1 3.9Å; K1515-I1518 WeakPolarHBondContact O-CG1 3.41Å; K1515-I1518 PolarHBondContact O-N 3.4Å; N1516-I1518 VanDerWaalsContact C-N 3.34Å; I1518-S1520 PolarHBondContact O-N 2.89Å; I1518-S1520 VanDerWaalsContact O-N 3.17Å |
| 1519 | D | 92.8 | Very high | 92.6 | Very high | 55 Ų | 55 | 33.1 Ų | 33.1 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 15.9 | -175.4 | -69.7 | -41.2 | 0 | 0 | 0 | 116 | G1421 A1423 R1424 H1458 L1517 | G1421-D1519 CarbonylContact O-C 3.13Å; G1421-D1519 WeakPolarHBondContact O-CA 3.38Å; A1423-D1519 WeakPolarHBondContact CA-OD1 3.38Å; A1423-D1519 WeakPolarHBondContact CB-OD1 3.36Å; A1423-D1519 PolarHBondContact N-OD1 2.95Å; A1423-D1519 VanDerWaalsContact N-OD1 3.12Å; R1424-D1519 HydrophobicContact CB-CB 4.48Å; R1424-D1519 PolarHBondContact N-OD1 3.44Å; H1458-D1519 PolarHBondContact NE2-O 3.08Å; L1517-D1519 PolarHBondContact O-N 3.45Å |
| 1520 | S | 92.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -81.9 | -19.1 | 177.5 | 67 | 0 | 0 | 0 | 0 | 114.4 | G1421 F1457 H1458 L1517 I1518 V1522 | G1421-S1520 PolarHBondContact O-N 2.9Å; F1457-S1520 WeakPolarHBondContact CD1-O 3.24Å; F1457-S1520 WeakPolarHBondContact CE1-O 3.26Å; H1458-S1520 PolarHBondContact CD2-O 3.47Å; H1458-S1520 PolarHBondContact NE2-O 3.3Å; L1517-S1520 WeakPolarHBondContact CA-OG 3.29Å; L1517-S1520 WeakPolarHBondContact O-CB 3.39Å; L1517-S1520 PolarHBondContact O-N 2.86Å; L1517-S1520 VanDerWaalsContact O-N 3.15Å; L1517-S1520 PolarHBondContact O-OG 2.87Å; I1518-S1520 PolarHBondContact O-N 2.89Å; I1518-S1520 VanDerWaalsContact O-N 3.17Å; S1520-V1522 VanDerWaalsContact C-N 3.32Å; S1520-V1522 PolarHBondContact OG-N 3.35Å |
| 1521 | G | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | 79.5 | 1.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1420 G1421 S1461 H1523 | L1420-G1521 CarbonylContact O-C 3.15Å; L1420-G1521 VanDerWaalsContact O-CA 3.28Å; L1420-G1521 WeakPolarHBondContact O-CA 3.4Å; G1421-G1521 WeakPolarHBondContact O-CA 3.43Å; G1421-G1521 PolarHBondContact O-N 3.5Å; S1461-G1521 VanDerWaalsContact CB-O 3.28Å; S1461-G1521 WeakPolarHBondContact CB-O 3.48Å; S1461-G1521 PolarHBondContact OG-O 3.22Å; G1521-H1523 PolarHBondContact O-N 2.9Å; G1521-H1523 PolarHBondContact O-ND1 3.49Å; G1521-H1523 VanDerWaalsContact O-ND1 3.07Å | ||
| 1522 | V | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -79.5 | 124.6 | 179.6 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | F1457 N1498 L1517 S1520 L1526 M1527 F1533 F1538 I1541 | F1457-V1522 HydrophobicContact CE1-CG2 4.13Å; F1457-V1522 HydrophobicContact CZ-CG2 4.09Å; N1498-V1522 WeakPolarHBondContact CB-O 3.35Å; N1498-V1522 PolarHBondContact ND2-O 2.85Å; L1517-V1522 HydrophobicContact CD2-CB 4.24Å; L1517-V1522 HydrophobicContact CD2-CG2 4.17Å; S1520-V1522 VanDerWaalsContact C-N 3.32Å; S1520-V1522 PolarHBondContact OG-N 3.35Å; V1522-L1526 HydrophobicContact CG2-CD2 4.36Å; V1522-M1527 HydrophobicContact CG1-CG 4.39Å; V1522-F1533 HydrophobicContact CG1-CZ 4.02Å; V1522-F1533 HydrophobicContact CG2-CE2 4.44Å; V1522-F1538 HydrophobicContact CG1-CD2 4.36Å; V1522-F1538 HydrophobicContact CG1-CE2 3.79Å; V1522-F1538 HydrophobicContact CG1-CZ 4.35Å; V1522-I1541 HydrophobicContact CG2-CD1 3.86Å; V1522-I1541 HydrophobicContact CG2-CG2 3.83Å | ||
| 1523 | H | 95.9 | Very high | 92 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | trans | -149.7 | 170.3 | 176.8 | 62.7 | -76.4 | 0 | 0 | 0 | 110.3 | L1420 S1461 G1521 A1525 L1526 M1527 | L1420-H1523 HydrophobicContact CD2-CB 4.46Å; S1461-H1523 PolarHBondContact O-CE1 3.01Å; S1461-H1523 PolarHBondContact OG-CE1 2.89Å; S1461-H1523 PolarHBondContact OG-ND1 3.35Å; G1521-H1523 PolarHBondContact O-N 2.9Å; G1521-H1523 PolarHBondContact O-ND1 3.49Å; G1521-H1523 VanDerWaalsContact O-ND1 3.07Å; H1523-A1525 PolarHBondContact CD2-N 3.04Å; H1523-A1525 PolarHBondContact O-N 3.45Å; H1523-L1526 PolarHBondContact NE2-N 3.34Å; H1523-L1526 WeakPolarHBondContact O-CB 3.46Å; H1523-L1526 PolarHBondContact O-N 3.34Å; H1523-M1527 WeakPolarHBondContact O-CG 3.44Å; H1523-M1527 PolarHBondContact O-N 2.95Å | ||
| 1524 | G | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.9 | -37.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1493 W1496 M1527 V1528 | L1493-G1524 CarbonylContact O-C 3.39Å; L1493-G1524 WeakPolarHBondContact O-CA 3.33Å; W1496-G1524 PolarHBondContact O-N 3.31Å; G1524-M1527 PolarHBondContact O-N 3.46Å; G1524-V1528 WeakPolarHBondContact O-CG2 3.34Å; G1524-V1528 PolarHBondContact O-N 2.94Å; G1524-V1528 VanDerWaalsContact O-N 3.08Å |
| 1525 | A | 94.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -38.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C1468 L1494 H1523 V1528 L1529 | C1468-A1525 HydrophobicContact CB-CB 3.61Å; L1494-A1525 HydrophobicContact CD1-CB 4.06Å; L1494-A1525 WeakPolarHBondContact O-CB 3.45Å; L1494-A1525 PolarHBondContact O-N 3.48Å; H1523-A1525 PolarHBondContact CD2-N 3.04Å; H1523-A1525 PolarHBondContact O-N 3.45Å; A1525-V1528 PolarHBondContact O-N 3.46Å; A1525-L1529 HydrophobicContact CB-CD1 4.12Å; A1525-L1529 WeakPolarHBondContact O-CB 3.5Å; A1525-L1529 WeakPolarHBondContact O-CG 3.45Å; A1525-L1529 PolarHBondContact O-N 3.17Å |
| 1526 | L | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.1 | -51 | 170.2 | 177.6 | 71.8 | 0 | 0 | 0 | 110.4 | F1457 Y1464 V1522 H1523 V1528 L1529 D1530 F1533 | F1457-L1526 HydrophobicContact CE1-CD2 4.36Å; F1457-L1526 HydrophobicContact CE2-CD2 4.14Å; F1457-L1526 HydrophobicContact CZ-CD2 3.58Å; Y1464-L1526 HydrophobicContact CD2-CD1 3.51Å; Y1464-L1526 HydrophobicContact CE2-CD1 4.01Å; Y1464-L1526 HydrophobicContact CG-CD1 4.46Å; V1522-L1526 HydrophobicContact CG2-CD2 4.36Å; H1523-L1526 PolarHBondContact NE2-N 3.34Å; H1523-L1526 WeakPolarHBondContact O-CB 3.46Å; H1523-L1526 PolarHBondContact O-N 3.34Å; L1526-V1528 VanDerWaalsContact C-N 3.25Å; L1526-V1528 PolarHBondContact O-N 2.93Å; L1526-L1529 PolarHBondContact O-N 3.06Å; L1526-D1530 HydrophobicContact CD1-CB 4Å; L1526-D1530 WeakPolarHBondContact O-CB 3.41Å; L1526-D1530 PolarHBondContact O-N 3.47Å; L1526-F1533 HydrophobicContact CD2-CD2 4.02Å; L1526-F1533 HydrophobicContact CD2-CE2 3.88Å; L1526-F1533 HydrophobicContact CG-CD2 4.06Å; L1526-F1533 HydrophobicContact CG-CE2 4.36Å |
| 1527 | M | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60 | -33.5 | -177.1 | -60.6 | 169.6 | 70.5 | 0 | 0 | 113.5 | L1493 V1501 V1522 H1523 G1524 F1533 F1538 L1559 L1563 | L1493-M1527 HydrophobicContact CD1-SD 4.44Å; V1501-M1527 HydrophobicContact CG1-SD 4.24Å; V1501-M1527 HydrophobicContact CG2-SD 3.93Å; V1522-M1527 HydrophobicContact CG1-CG 4.39Å; H1523-M1527 WeakPolarHBondContact O-CG 3.44Å; H1523-M1527 PolarHBondContact O-N 2.95Å; G1524-M1527 PolarHBondContact O-N 3.46Å; M1527-F1533 HydrophobicContact CB-CD1 4.3Å; M1527-F1533 HydrophobicContact CB-CE1 4.28Å; M1527-F1533 HydrophobicContact CG-CD1 4.18Å; M1527-F1533 HydrophobicContact CG-CE1 3.69Å; M1527-F1533 HydrophobicContact CG-CZ 4.25Å; M1527-F1538 HydrophobicContact CE-CE1 4.18Å; M1527-L1559 HydrophobicContact CE-CD1 3.26Å; M1527-L1563 HydrophobicContact CB-CD2 4.37Å; M1527-L1563 WeakPolarHBondContact O-CD2 3.44Å |
| 1528 | V | 90.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 30.4 Ų | 30.4 | 19% | 0.188 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -90.2 | -38.8 | -176.5 | 173.8 | 0 | 0 | 0 | 0 | 112.6 | L1493 G1524 A1525 L1526 L1563 Y1566 | L1493-V1528 HydrophobicContact CB-CG2 3.77Å; L1493-V1528 HydrophobicContact CD2-CG2 3.57Å; L1493-V1528 HydrophobicContact CG-CG2 3.58Å; G1524-V1528 WeakPolarHBondContact O-CG2 3.34Å; G1524-V1528 PolarHBondContact O-N 2.94Å; G1524-V1528 VanDerWaalsContact O-N 3.08Å; A1525-V1528 PolarHBondContact O-N 3.46Å; L1526-V1528 VanDerWaalsContact C-N 3.25Å; L1526-V1528 PolarHBondContact O-N 2.93Å; V1528-L1563 HydrophobicContact CG2-CD2 4.4Å; V1528-Y1566 HydrophobicContact CG1-CD1 3.59Å; V1528-Y1566 HydrophobicContact CG1-CE1 4.24Å; V1528-Y1566 HydrophobicContact CG1-CG 3.83Å; V1528-Y1566 HydrophobicContact CG2-CD1 4.4Å; V1528-Y1566 HydrophobicContact CG2-CD2 4.27Å; V1528-Y1566 HydrophobicContact CG2-CE2 4.5Å; V1528-Y1566 HydrophobicContact CG2-CG 4.24Å |
| 1529 | L | 89.4 | Confident | 91.8 | Very high | 20 Ų | 20 | 25.5 Ų | 25.5 | 11% | 0.105 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -96.2 | -21.1 | -169.1 | -58.8 | 178.4 | 0 | 0 | 0 | 113.6 | Y1464 M1467 L1494 A1525 L1526 P1531 | Y1464-L1529 HydrophobicContact CD1-CB 3.45Å; Y1464-L1529 VanDerWaalsContact CD1-CB 3.45Å; Y1464-L1529 HydrophobicContact CD1-CD1 4.18Å; Y1464-L1529 HydrophobicContact CD1-CG 4.49Å; Y1464-L1529 HydrophobicContact CE1-CB 3.81Å; Y1464-L1529 WeakPolarHBondContact CE1-O 3.49Å; Y1464-L1529 HydrophobicContact CG-CB 4.26Å; M1467-L1529 HydrophobicContact CB-CD1 3.98Å; L1494-L1529 HydrophobicContact CD1-CD1 3.88Å; L1494-L1529 HydrophobicContact CD1-CD2 3.98Å; L1494-L1529 HydrophobicContact CD1-CG 3.87Å; A1525-L1529 HydrophobicContact CB-CD1 4.12Å; A1525-L1529 WeakPolarHBondContact O-CB 3.5Å; A1525-L1529 WeakPolarHBondContact O-CG 3.45Å; A1525-L1529 PolarHBondContact O-N 3.17Å; L1526-L1529 PolarHBondContact O-N 3.06Å; L1529-P1531 WeakPolarHBondContact O-CD 3.42Å |
| 1530 | D | 89.9 | Confident | 91.7 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | trans | -84.9 | 111.5 | 175.2 | -168.8 | -14.6 | 0 | 0 | 0 | 109.9 | L1460 Y1464 L1526 D1532 F1533 | L1460-D1530 WeakPolarHBondContact CD2-OD2 3.33Å; Y1464-D1530 HydrophobicContact CD2-CB 4.15Å; Y1464-D1530 HydrophobicContact CE2-CB 3.51Å; L1526-D1530 HydrophobicContact CD1-CB 4Å; L1526-D1530 WeakPolarHBondContact O-CB 3.41Å; L1526-D1530 PolarHBondContact O-N 3.47Å; D1530-D1532 PolarHBondContact O-N 3.01Å; D1530-D1532 PolarHBondContact OD1-N 3.33Å; D1530-F1533 HydrophobicContact CB-CB 3.74Å; D1530-F1533 PolarHBondContact O-N 3.43Å; D1530-F1533 PolarHBondContact OD1-N 2.96Å | ||
| 1531 | P | 81.9 | Confident | 91.7 | Very high | 62 Ų | 62 | 29.3 Ų | 29.3 | 40% | 0.403 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -32.2 | 178.9 | 27.8 | -33.5 | 0 | 0 | 0 | 111.9 | L1529 F1533 R1567 | L1529-P1531 WeakPolarHBondContact O-CD 3.42Å; P1531-F1533 VanDerWaalsContact C-N 3.33Å; P1531-R1567 PolarHBondContact O-NH1 2.99Å; P1531-R1567 PolarHBondContact O-NH2 3.34Å |
| 1532 | D | 82.9 | Confident | 91.6 | Very high | 130 Ų | 130 | 29.3 Ų | 29.3 | 70% | 0.695 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -10.4 | -173.7 | -57.2 | -32 | 0 | 0 | 0 | 111.8 | D1530 D1534 | D1530-D1532 PolarHBondContact O-N 3.01Å; D1530-D1532 PolarHBondContact OD1-N 3.33Å; D1532-D1534 PolarHBondContact O-N 3.43Å; D1532-D1534 VanDerWaalsContact O-N 3.1Å |
| 1533 | F | 90.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | trans | -74.5 | 101.1 | 175.9 | -168.2 | -89.2 | 0 | 0 | 0 | 111.1 | F1457 V1522 L1526 M1527 D1530 P1531 F1538 I1541 R1567 | F1457-F1533 HydrophobicContact CZ-CE2 4.32Å; V1522-F1533 HydrophobicContact CG1-CZ 4.02Å; V1522-F1533 HydrophobicContact CG2-CE2 4.44Å; L1526-F1533 HydrophobicContact CD2-CD2 4.02Å; L1526-F1533 HydrophobicContact CD2-CE2 3.88Å; L1526-F1533 HydrophobicContact CG-CD2 4.06Å; L1526-F1533 HydrophobicContact CG-CE2 4.36Å; M1527-F1533 HydrophobicContact CB-CD1 4.3Å; M1527-F1533 HydrophobicContact CB-CE1 4.28Å; M1527-F1533 HydrophobicContact CG-CD1 4.18Å; M1527-F1533 HydrophobicContact CG-CE1 3.69Å; M1527-F1533 HydrophobicContact CG-CZ 4.25Å; D1530-F1533 HydrophobicContact CB-CB 3.74Å; D1530-F1533 PolarHBondContact O-N 3.43Å; D1530-F1533 PolarHBondContact OD1-N 2.96Å; P1531-F1533 VanDerWaalsContact C-N 3.33Å; F1533-F1538 HydrophobicContact CE1-CB 3.99Å; F1533-F1538 HydrophobicContact CE1-CD1 4.33Å; F1533-F1538 HydrophobicContact CE1-CD2 4.46Å; F1533-F1538 HydrophobicContact CE1-CG 4.05Å; F1533-F1538 HydrophobicContact CZ-CB 3.79Å; F1533-F1538 HydrophobicContact CZ-CD1 4.45Å; F1533-F1538 AromaticContact CZ-CD2 3.79Å; F1533-F1538 HydrophobicContact CZ-CD2 3.79Å; F1533-F1538 HydrophobicContact CZ-CE2 4.45Å; F1533-F1538 AromaticContact CZ-CG 3.79Å; F1533-F1538 HydrophobicContact CZ-CG 3.79Å; F1533-I1541 HydrophobicContact CE2-CD1 3.94Å; F1533-R1567 PolarHBondContact O-NH2 3.47Å | ||
| 1534 | D | 88.5 | Confident | 91.2 | Very high | 64 Ų | 64 | 36 Ų | 36 | 34% | 0.342 | 20% | 0.197 | S | C | . | . | trans | -112.8 | 176.9 | -179.2 | 76.7 | -18.8 | 0 | 0 | 0 | 113.1 | D1532 N1536 S1537 F1538 | D1532-D1534 PolarHBondContact O-N 3.43Å; D1532-D1534 VanDerWaalsContact O-N 3.1Å; D1534-N1536 VanDerWaalsContact C-N 3.26Å; D1534-N1536 PolarHBondContact O-N 2.97Å; D1534-N1536 PolarHBondContact OD1-N 3.35Å; D1534-N1536 WeakPolarHBondContact OD2-CB 3.43Å; D1534-N1536 PolarHBondContact OD2-ND2 2.71Å; D1534-S1537 PolarHBondContact O-N 3.18Å; D1534-S1537 WeakPolarHBondContact OD1-CB 3.32Å; D1534-S1537 PolarHBondContact OD1-N 3.4Å; D1534-S1537 PolarHBondContact OD1-OG 3.25Å; D1534-F1538 WeakPolarHBondContact O-CB 3.44Å; D1534-F1538 PolarHBondContact O-N 3.19Å; D1534-F1538 VanDerWaalsContact O-N 3.07Å | ||
| 1535 | A | 90.9 | Very high | 90.9 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.8 | -32.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1538 A1539 E1556 L1559 | A1535-F1538 PolarHBondContact O-N 3.5Å; A1535-A1539 WeakPolarHBondContact O-CB 3.39Å; A1535-A1539 PolarHBondContact O-N 3.45Å; A1535-E1556 HydrophobicContact CB-CB 3.71Å; A1535-E1556 HydrophobicContact CB-CG 3.78Å; A1535-L1559 HydrophobicContact CB-CD2 3.99Å |
| 1536 | N | 90.5 | Very high | 90.5 | Very high | 89 Ų | 89 | 44.6 Ų | 44.6 | 48% | 0.476 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.2 | -47.8 | 179.3 | -69 | -45.8 | 0 | 0 | 0 | 111.6 | D1534 F1538 A1539 L1540 | D1534-N1536 VanDerWaalsContact C-N 3.26Å; D1534-N1536 PolarHBondContact O-N 2.97Å; D1534-N1536 PolarHBondContact OD1-N 3.35Å; D1534-N1536 WeakPolarHBondContact OD2-CB 3.43Å; D1534-N1536 PolarHBondContact OD2-ND2 2.71Å; N1536-F1538 VanDerWaalsContact C-N 3.26Å; N1536-F1538 PolarHBondContact O-N 3.43Å; N1536-A1539 PolarHBondContact O-N 3.36Å; N1536-L1540 WeakPolarHBondContact O-CG 3.5Å; N1536-L1540 PolarHBondContact O-N 2.9Å |
| 1537 | S | 91.4 | Very high | 90.2 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 174.5 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | D1534 L1540 I1541 | D1534-S1537 PolarHBondContact O-N 3.18Å; D1534-S1537 WeakPolarHBondContact OD1-CB 3.32Å; D1534-S1537 PolarHBondContact OD1-N 3.4Å; D1534-S1537 PolarHBondContact OD1-OG 3.25Å; S1537-L1540 PolarHBondContact O-N 2.92Å; S1537-I1541 WeakPolarHBondContact O-CD1 3.5Å; S1537-I1541 VanDerWaalsContact O-CG1 3.31Å; S1537-I1541 WeakPolarHBondContact O-CG1 3.29Å; S1537-I1541 PolarHBondContact O-N 2.93Å; S1537-I1541 VanDerWaalsContact O-N 3.07Å |
| 1538 | F | 95.2 | Very high | 90 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 178.1 | -165.7 | -161.7 | 0 | 0 | 0 | 113 | V1501 W1504 L1505 L1517 V1522 M1527 F1533 D1534 A1535 N1536 L1540 I1541 L1542 L1555 L1559 | V1501-F1538 HydrophobicContact CG1-CZ 3.92Å; W1504-F1538 HydrophobicContact CH2-CE1 4.46Å; W1504-F1538 AromaticContact CZ3-CE1 3.88Å; W1504-F1538 HydrophobicContact CZ3-CE1 3.88Å; W1504-F1538 HydrophobicContact CZ3-CZ 4.38Å; L1505-F1538 HydrophobicContact CD1-CZ 4.08Å; L1505-F1538 HydrophobicContact CD2-CE1 4.31Å; L1505-F1538 HydrophobicContact CD2-CZ 4.22Å; L1505-F1538 HydrophobicContact CG-CZ 4.45Å; L1517-F1538 HydrophobicContact CD1-CE2 3.79Å; L1517-F1538 HydrophobicContact CD1-CZ 4.04Å; L1517-F1538 HydrophobicContact CD2-CE2 3.83Å; L1517-F1538 HydrophobicContact CG-CE2 4.42Å; V1522-F1538 HydrophobicContact CG1-CD2 4.36Å; V1522-F1538 HydrophobicContact CG1-CE2 3.79Å; V1522-F1538 HydrophobicContact CG1-CZ 4.35Å; M1527-F1538 HydrophobicContact CE-CE1 4.18Å; F1533-F1538 HydrophobicContact CE1-CB 3.99Å; F1533-F1538 HydrophobicContact CE1-CD1 4.33Å; F1533-F1538 HydrophobicContact CE1-CD2 4.46Å; F1533-F1538 HydrophobicContact CE1-CG 4.05Å; F1533-F1538 HydrophobicContact CZ-CB 3.79Å; F1533-F1538 HydrophobicContact CZ-CD1 4.45Å; F1533-F1538 AromaticContact CZ-CD2 3.79Å; F1533-F1538 HydrophobicContact CZ-CD2 3.79Å; F1533-F1538 HydrophobicContact CZ-CE2 4.45Å; F1533-F1538 AromaticContact CZ-CG 3.79Å; F1533-F1538 HydrophobicContact CZ-CG 3.79Å; D1534-F1538 WeakPolarHBondContact O-CB 3.44Å; D1534-F1538 PolarHBondContact O-N 3.19Å; D1534-F1538 VanDerWaalsContact O-N 3.07Å; A1535-F1538 PolarHBondContact O-N 3.5Å; N1536-F1538 VanDerWaalsContact C-N 3.26Å; N1536-F1538 PolarHBondContact O-N 3.43Å; F1538-L1540 VanDerWaalsContact C-N 3.32Å; F1538-L1540 PolarHBondContact O-N 3.24Å; F1538-I1541 PolarHBondContact O-N 3.5Å; F1538-L1542 HydrophobicContact CD2-CD1 4.08Å; F1538-L1542 HydrophobicContact CD2-CG 4.2Å; F1538-L1542 HydrophobicContact CE2-CD1 4.01Å; F1538-L1542 HydrophobicContact CE2-CG 4.13Å; F1538-L1542 HydrophobicContact CG-CD1 4.37Å; F1538-L1542 HydrophobicContact CZ-CD1 4.23Å; F1538-L1542 WeakPolarHBondContact O-CB 3.43Å; F1538-L1542 WeakPolarHBondContact O-CG 3.35Å; F1538-L1542 PolarHBondContact O-N 3.37Å; F1538-L1555 HydrophobicContact CB-CD2 4.38Å; F1538-L1555 HydrophobicContact CD1-CD1 3.79Å; F1538-L1555 HydrophobicContact CD1-CD2 4.14Å; F1538-L1555 HydrophobicContact CD1-CG 4.25Å; F1538-L1555 HydrophobicContact CE1-CD1 3.86Å; F1538-L1555 HydrophobicContact CG-CD2 4.34Å; F1538-L1559 HydrophobicContact CD1-CD1 4.27Å; F1538-L1559 HydrophobicContact CD1-CD2 4.1Å; F1538-L1559 HydrophobicContact CE1-CD1 4.4Å |
| 1539 | A | 93.5 | Very high | 90 | Very high | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1535 N1536 L1542 Q1543 I1544 R1552 L1555 | A1535-A1539 WeakPolarHBondContact O-CB 3.39Å; A1535-A1539 PolarHBondContact O-N 3.45Å; N1536-A1539 PolarHBondContact O-N 3.36Å; A1539-L1542 PolarHBondContact O-N 3.01Å; A1539-Q1543 PolarHBondContact O-N 3.25Å; A1539-Q1543 VanDerWaalsContact O-N 3.16Å; A1539-I1544 PolarHBondContact O-N 2.96Å; A1539-R1552 HydrophobicContact CB-CG 4.16Å; A1539-L1555 HydrophobicContact CB-CD2 3.92Å |
| 1540 | L | 92.2 | Very high | 90 | Very high | 107 Ų | 107 | 61.9 Ų | 61.9 | 56% | 0.56 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 174 | -70.6 | 171.4 | 0 | 0 | 0 | 111.6 | N1536 S1537 F1538 L1542 Q1543 | N1536-L1540 WeakPolarHBondContact O-CG 3.5Å; N1536-L1540 PolarHBondContact O-N 2.9Å; S1537-L1540 PolarHBondContact O-N 2.92Å; F1538-L1540 VanDerWaalsContact C-N 3.32Å; F1538-L1540 PolarHBondContact O-N 3.24Å; L1540-L1542 VanDerWaalsContact C-N 3.31Å; L1540-L1542 PolarHBondContact O-N 2.7Å; L1540-Q1543 WeakPolarHBondContact O-CA 2.92Å; L1540-Q1543 PolarHBondContact O-N 3.07Å |
| 1541 | I | 92.6 | Very high | 89.9 | Confident | 40 Ų | 40 | 63.1 Ų | 63.1 | 21% | 0.205 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 177.2 | -64.1 | 161.3 | 0 | 0 | 0 | 111.2 | F1457 L1517 V1522 F1533 S1537 F1538 Q1543 | F1457-I1541 HydrophobicContact CE1-CD1 3.89Å; F1457-I1541 HydrophobicContact CE2-CD1 3.98Å; F1457-I1541 HydrophobicContact CZ-CD1 3.37Å; F1457-I1541 HydrophobicContact CZ-CG1 4.46Å; L1517-I1541 HydrophobicContact CD2-CG2 3.8Å; V1522-I1541 HydrophobicContact CG2-CD1 3.86Å; V1522-I1541 HydrophobicContact CG2-CG2 3.83Å; F1533-I1541 HydrophobicContact CE2-CD1 3.94Å; S1537-I1541 WeakPolarHBondContact O-CD1 3.5Å; S1537-I1541 VanDerWaalsContact O-CG1 3.31Å; S1537-I1541 WeakPolarHBondContact O-CG1 3.29Å; S1537-I1541 PolarHBondContact O-N 2.93Å; S1537-I1541 VanDerWaalsContact O-N 3.07Å; F1538-I1541 PolarHBondContact O-N 3.5Å; I1541-Q1543 PolarHBondContact O-N 2.92Å |
| 1542 | L | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -9 | 174.3 | -74.9 | 169.3 | 0 | 0 | 0 | 113.7 | L1505 Y1513 N1516 L1517 F1538 A1539 L1540 I1544 L1555 | L1505-L1542 HydrophobicContact CD1-CD1 4.05Å; L1505-L1542 HydrophobicContact CD1-CD2 3.55Å; L1505-L1542 HydrophobicContact CD1-CG 4.4Å; L1505-L1542 HydrophobicContact CD2-CD1 4.09Å; Y1513-L1542 WeakPolarHBondContact O-CD2 3.43Å; N1516-L1542 PolarHBondContact ND2-O 3.04Å; L1517-L1542 HydrophobicContact CD1-CD2 4.18Å; L1517-L1542 HydrophobicContact CD2-CD2 3.56Å; L1517-L1542 HydrophobicContact CD2-CG 4.03Å; L1517-L1542 HydrophobicContact CG-CD2 3.57Å; F1538-L1542 HydrophobicContact CD2-CD1 4.08Å; F1538-L1542 HydrophobicContact CD2-CG 4.2Å; F1538-L1542 HydrophobicContact CE2-CD1 4.01Å; F1538-L1542 HydrophobicContact CE2-CG 4.13Å; F1538-L1542 HydrophobicContact CG-CD1 4.37Å; F1538-L1542 HydrophobicContact CZ-CD1 4.23Å; F1538-L1542 WeakPolarHBondContact O-CB 3.43Å; F1538-L1542 WeakPolarHBondContact O-CG 3.35Å; F1538-L1542 PolarHBondContact O-N 3.37Å; A1539-L1542 PolarHBondContact O-N 3.01Å; L1540-L1542 VanDerWaalsContact C-N 3.31Å; L1540-L1542 PolarHBondContact O-N 2.7Å; L1542-I1544 VanDerWaalsContact C-N 3.26Å; L1542-I1544 HydrophobicContact CB-CD1 4.08Å; L1542-I1544 HydrophobicContact CB-CG1 3.84Å; L1542-I1544 HydrophobicContact CD1-CD1 4.14Å; L1542-I1544 PolarHBondContact O-N 3.4Å; L1542-L1555 HydrophobicContact CD1-CD1 4.12Å; L1542-L1555 HydrophobicContact CD1-CD2 3.81Å |
| 1543 | Q | 92.3 | Very high | 90.8 | Very high | 140 Ų | 140 | 60.8 Ų | 60.8 | 65% | 0.654 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 37.7 | -175.5 | -54.2 | 175 | 28.7 | 0 | 0 | 112.6 | A1539 L1540 I1541 P1545 | A1539-Q1543 PolarHBondContact O-N 3.25Å; A1539-Q1543 VanDerWaalsContact O-N 3.16Å; L1540-Q1543 WeakPolarHBondContact O-CA 2.92Å; L1540-Q1543 PolarHBondContact O-N 3.07Å; I1541-Q1543 PolarHBondContact O-N 2.92Å; Q1543-P1545 WeakPolarHBondContact O-CD 3.49Å |
| 1544 | I | 90.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | trans | -74.9 | 124.1 | 173.4 | -57.4 | 175.5 | 0 | 0 | 0 | 107.6 | L1510 Y1513 A1539 L1542 D1548 M1551 R1552 L1555 | L1510-I1544 HydrophobicContact CD1-CD1 4.44Å; Y1513-I1544 HydrophobicContact CD1-CG1 3.9Å; Y1513-I1544 HydrophobicContact CD2-CD1 4.37Å; Y1513-I1544 HydrophobicContact CD2-CG1 4.01Å; Y1513-I1544 HydrophobicContact CE1-CG1 4.17Å; Y1513-I1544 HydrophobicContact CE2-CG1 4.26Å; Y1513-I1544 HydrophobicContact CG-CD1 4.49Å; Y1513-I1544 HydrophobicContact CG-CG1 3.82Å; A1539-I1544 PolarHBondContact O-N 2.96Å; L1542-I1544 VanDerWaalsContact C-N 3.26Å; L1542-I1544 HydrophobicContact CB-CD1 4.08Å; L1542-I1544 HydrophobicContact CB-CG1 3.84Å; L1542-I1544 HydrophobicContact CD1-CD1 4.14Å; L1542-I1544 PolarHBondContact O-N 3.4Å; I1544-D1548 HydrophobicContact CG2-CB 4.23Å; I1544-M1551 HydrophobicContact CG2-CB 4.15Å; I1544-R1552 HydrophobicContact CB-CG 4.42Å; I1544-R1552 HydrophobicContact CG2-CG 3.82Å; I1544-R1552 PolarHBondContact O-NE 2.92Å; I1544-R1552 PolarHBondContact O-NH2 3.03Å; I1544-L1555 HydrophobicContact CD1-CD2 4.1Å | ||
| 1545 | P | 87.7 | Confident | 91.1 | Very high | 60 Ų | 60 | 62 Ų | 62 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | trans | -55.4 | 145.1 | 178.3 | -26.2 | 35.3 | 0 | 0 | 0 | 112.4 | Q1543 S1547 D1548 R1552 | Q1543-P1545 WeakPolarHBondContact O-CD 3.49Å; P1545-S1547 WeakPolarHBondContact CB-OG 3.44Å; P1545-S1547 PolarHBondContact O-N 2.93Å; P1545-D1548 PolarHBondContact O-N 3.23Å; P1545-D1548 VanDerWaalsContact O-N 3.12Å; P1545-R1552 PolarHBondContact O-NE 3.23Å | ||
| 1546 | N | 87.6 | Confident | 91.3 | Very high | 120 Ų | 120 | 65.3 Ų | 65.3 | 64% | 0.642 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.6 | 175.5 | -72.4 | -20.2 | 0 | 0 | 0 | 112.5 | D1548 R1552 | N1546-D1548 VanDerWaalsContact C-N 3.31Å; N1546-R1552 PolarHBondContact OD1-NH2 2.95Å |
| 1547 | S | 88.1 | Confident | 91.3 | Very high | 106 Ų | 106 | 64 Ų | 64 | 74% | 0.741 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -23.3 | 175.3 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | P1545 V1549 | P1545-S1547 WeakPolarHBondContact CB-OG 3.44Å; P1545-S1547 PolarHBondContact O-N 2.93Å; S1547-V1549 VanDerWaalsContact C-N 3.28Å; S1547-V1549 PolarHBondContact O-N 2.95Å; S1547-V1549 VanDerWaalsContact O-N 3.08Å |
| 1548 | D | 89.7 | Confident | 91.3 | Very high | 42 Ų | 42 | 64.3 Ų | 64.3 | 23% | 0.225 | 34% | 0.337 | C | S | . | . | trans | -88.4 | 68.1 | -179.4 | -165 | -13 | 0 | 0 | 0 | 111 | Y1513 I1544 P1545 N1546 Q1550 M1551 R1552 | Y1513-D1548 PolarHBondContact OH-OD2 3.16Å; I1544-D1548 HydrophobicContact CG2-CB 4.23Å; P1545-D1548 PolarHBondContact O-N 3.23Å; P1545-D1548 VanDerWaalsContact O-N 3.12Å; N1546-D1548 VanDerWaalsContact C-N 3.31Å; D1548-Q1550 PolarHBondContact O-N 3.17Å; D1548-M1551 VanDerWaalsContact CG-CG 3.45Å; D1548-M1551 PolarHBondContact O-N 3.37Å; D1548-M1551 WeakPolarHBondContact OD1-CB 3.41Å; D1548-M1551 VanDerWaalsContact OD1-CG 3.3Å; D1548-M1551 WeakPolarHBondContact OD1-CG 3.42Å; D1548-M1551 PolarHBondContact OD1-N 3.15Å; D1548-M1551 WeakPolarHBondContact OD2-CG 3.44Å; D1548-R1552 PolarHBondContact O-N 3.21Å | ||
| 1549 | V | 90 | Very high | 91.1 | Very high | 103 Ų | 103 | 64.3 Ų | 64.3 | 62% | 0.624 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61 | -34 | -177.6 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | S1547 R1552 H1553 | S1547-V1549 VanDerWaalsContact C-N 3.28Å; S1547-V1549 PolarHBondContact O-N 2.95Å; S1547-V1549 VanDerWaalsContact O-N 3.08Å; V1549-R1552 PolarHBondContact O-N 3.35Å; V1549-H1553 VanDerWaalsContact O-CB 3.28Å; V1549-H1553 WeakPolarHBondContact O-CB 3.48Å; V1549-H1553 PolarHBondContact O-N 3.41Å |
| 1550 | Q | 89 | Confident | 90.9 | Very high | 163 Ų | 163 | 68.1 Ų | 68.1 | 76% | 0.762 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.7 | -47 | -179.1 | -174 | 178.9 | -2.9 | 0 | 0 | 111.5 | D1548 K1554 | D1548-Q1550 PolarHBondContact O-N 3.17Å; Q1550-K1554 WeakPolarHBondContact O-CB 3.34Å; Q1550-K1554 PolarHBondContact O-N 3.43Å |
| 1551 | M | 89.5 | Confident | 90.8 | Very high | 35 Ų | 35 | 69.3 Ų | 69.3 | 17% | 0.172 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.3 | -38.6 | 178.2 | -67.7 | -60.7 | -128 | 0 | 0 | 112.1 | L1510 E1512 Y1513 I1544 D1548 K1554 L1555 | L1510-M1551 HydrophobicContact CD2-CB 3.98Å; L1510-M1551 HydrophobicContact CD2-CE 3.71Å; L1510-M1551 HydrophobicContact CD2-CG 4.15Å; L1510-M1551 HydrophobicContact CD2-SD 3.49Å; L1510-M1551 WeakPolarHBondContact CD2-SD 3.49Å; E1512-M1551 WeakPolarHBondContact OE1-CE 3.45Å; Y1513-M1551 HydrophobicContact CE2-CE 4.2Å; Y1513-M1551 HydrophobicContact CE2-CG 4.45Å; I1544-M1551 HydrophobicContact CG2-CB 4.15Å; D1548-M1551 VanDerWaalsContact CG-CG 3.45Å; D1548-M1551 PolarHBondContact O-N 3.37Å; D1548-M1551 WeakPolarHBondContact OD1-CB 3.41Å; D1548-M1551 VanDerWaalsContact OD1-CG 3.3Å; D1548-M1551 WeakPolarHBondContact OD1-CG 3.42Å; D1548-M1551 PolarHBondContact OD1-N 3.15Å; D1548-M1551 WeakPolarHBondContact OD2-CG 3.44Å; M1551-K1554 PolarHBondContact O-N 3.01Å; M1551-L1555 PolarHBondContact O-N 3.37Å |
| 1552 | R | 92.6 | Very high | 90.6 | Very high | 34 Ų | 34 | 68 Ų | 68 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 175.4 | -73.8 | -179 | 166.5 | -103 | -3.2 | 112.3 | A1539 I1544 P1545 N1546 D1548 V1549 K1554 L1555 E1556 | A1539-R1552 HydrophobicContact CB-CG 4.16Å; I1544-R1552 HydrophobicContact CB-CG 4.42Å; I1544-R1552 HydrophobicContact CG2-CG 3.82Å; I1544-R1552 PolarHBondContact O-NE 2.92Å; I1544-R1552 PolarHBondContact O-NH2 3.03Å; P1545-R1552 PolarHBondContact O-NE 3.23Å; N1546-R1552 PolarHBondContact OD1-NH2 2.95Å; D1548-R1552 PolarHBondContact O-N 3.21Å; V1549-R1552 PolarHBondContact O-N 3.35Å; R1552-K1554 VanDerWaalsContact C-N 3.33Å; R1552-K1554 PolarHBondContact O-N 2.95Å; R1552-L1555 WeakPolarHBondContact O-CB 3.32Å; R1552-L1555 PolarHBondContact O-N 3.45Å; R1552-E1556 WeakPolarHBondContact O-CB 3.34Å; R1552-E1556 PolarHBondContact O-N 3.29Å |
| 1553 | H | 91.1 | Very high | 90.3 | Very high | 109 Ų | 109 | 68.1 Ų | 68.1 | 51% | 0.505 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 177.2 | -175.2 | 61 | 0 | 0 | 0 | 111.9 | V1549 E1556 C1557 | V1549-H1553 VanDerWaalsContact O-CB 3.28Å; V1549-H1553 WeakPolarHBondContact O-CB 3.48Å; V1549-H1553 PolarHBondContact O-N 3.41Å; H1553-E1556 IonicContact ND1-OE2 2.99Å; H1553-E1556 PolarHBondContact O-N 3.38Å; H1553-C1557 VanDerWaalsContact CE1-SG 3.57Å; H1553-C1557 WeakPolarHBondContact O-CB 3.44Å; H1553-C1557 PolarHBondContact O-N 3.23Å; H1553-C1557 PolarHBondContact O-SG 3.47Å |
| 1554 | K | 91 | Very high | 89.8 | Confident | 92 Ų | 92 | 67.5 Ų | 67.5 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 174.9 | -167.9 | -180 | -165.4 | -175.6 | 0 | 112.1 | I1508 Q1550 M1551 R1552 E1558 | I1508-K1554 WeakPolarHBondContact O-CE 3.37Å; I1508-K1554 PolarHBondContact O-NZ 3.5Å; Q1550-K1554 WeakPolarHBondContact O-CB 3.34Å; Q1550-K1554 PolarHBondContact O-N 3.43Å; M1551-K1554 PolarHBondContact O-N 3.01Å; R1552-K1554 VanDerWaalsContact C-N 3.33Å; R1552-K1554 PolarHBondContact O-N 2.95Å; K1554-E1558 PolarHBondContact O-N 3.39Å; K1554-E1558 VanDerWaalsContact O-N 3.13Å |
| 1555 | L | 94.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60 | -47.5 | 174.9 | 179.2 | 66.3 | 0 | 0 | 0 | 111 | W1504 L1505 I1508 L1510 F1538 A1539 L1542 I1544 M1551 R1552 E1558 L1559 | W1504-L1555 HydrophobicContact CH2-CD1 4.35Å; L1505-L1555 HydrophobicContact CD2-CD1 3.81Å; I1508-L1555 HydrophobicContact CD1-CD1 4.46Å; L1510-L1555 HydrophobicContact CD1-CB 3.98Å; L1510-L1555 HydrophobicContact CD1-CD1 3.86Å; L1510-L1555 HydrophobicContact CD1-CG 4.44Å; F1538-L1555 HydrophobicContact CB-CD2 4.38Å; F1538-L1555 HydrophobicContact CD1-CD1 3.79Å; F1538-L1555 HydrophobicContact CD1-CD2 4.14Å; F1538-L1555 HydrophobicContact CD1-CG 4.25Å; F1538-L1555 HydrophobicContact CE1-CD1 3.86Å; F1538-L1555 HydrophobicContact CG-CD2 4.34Å; A1539-L1555 HydrophobicContact CB-CD2 3.92Å; L1542-L1555 HydrophobicContact CD1-CD1 4.12Å; L1542-L1555 HydrophobicContact CD1-CD2 3.81Å; I1544-L1555 HydrophobicContact CD1-CD2 4.1Å; M1551-L1555 PolarHBondContact O-N 3.37Å; R1552-L1555 WeakPolarHBondContact O-CB 3.32Å; R1552-L1555 PolarHBondContact O-N 3.45Å; L1555-E1558 PolarHBondContact O-N 2.98Å; L1555-L1559 WeakPolarHBondContact O-CB 3.39Å; L1555-L1559 PolarHBondContact O-N 3.43Å |
| 1556 | E | 93.7 | Very high | 88.7 | Confident | 80 Ų | 80 | 70.7 Ų | 70.7 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 179.3 | -178.9 | 178.4 | -159.4 | 0 | 0 | 112 | A1535 R1552 H1553 E1558 L1559 N1560 | A1535-E1556 HydrophobicContact CB-CB 3.71Å; A1535-E1556 HydrophobicContact CB-CG 3.78Å; R1552-E1556 WeakPolarHBondContact O-CB 3.34Å; R1552-E1556 PolarHBondContact O-N 3.29Å; H1553-E1556 IonicContact ND1-OE2 2.99Å; H1553-E1556 PolarHBondContact O-N 3.38Å; E1556-E1558 PolarHBondContact O-N 3.14Å; E1556-L1559 PolarHBondContact O-N 2.95Å; E1556-N1560 WeakPolarHBondContact CG-ND2 3.44Å; E1556-N1560 VanDerWaalsContact O-CB 3.26Å; E1556-N1560 WeakPolarHBondContact O-CB 3.36Å; E1556-N1560 VanDerWaalsContact O-CG 3.31Å; E1556-N1560 PolarHBondContact O-N 3.45Å; E1556-N1560 PolarHBondContact O-ND2 3.45Å |
| 1557 | C | 90.9 | Very high | 88 | Confident | 62 Ų | 62 | 70.2 Ų | 70.2 | 42% | 0.419 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 178.4 | -70.3 | 0 | 0 | 0 | 0 | 112.1 | H1553 R1561 | H1553-C1557 VanDerWaalsContact CE1-SG 3.57Å; H1553-C1557 WeakPolarHBondContact O-CB 3.44Å; H1553-C1557 PolarHBondContact O-N 3.23Å; H1553-C1557 PolarHBondContact O-SG 3.47Å; C1557-R1561 WeakPolarHBondContact O-CB 3.31Å; C1557-R1561 PolarHBondContact O-N 3.27Å |
| 1558 | E | 91.2 | Very high | 86.2 | Confident | 52 Ų | 52 | 67.7 Ų | 67.7 | 24% | 0.243 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72.8 | -35.3 | -178 | -72.8 | -64.3 | 155 | 0 | 0 | 112.7 | W1504 I1508 K1554 L1555 E1556 R1561 L1562 | W1504-E1558 HydrophobicContact CZ2-CB 3.8Å; I1508-E1558 HydrophobicContact CB-CG 4.35Å; I1508-E1558 HydrophobicContact CD1-CB 4.25Å; I1508-E1558 HydrophobicContact CG2-CB 4.26Å; I1508-E1558 HydrophobicContact CG2-CG 3.97Å; K1554-E1558 PolarHBondContact O-N 3.39Å; K1554-E1558 VanDerWaalsContact O-N 3.13Å; L1555-E1558 PolarHBondContact O-N 2.98Å; E1556-E1558 PolarHBondContact O-N 3.14Å; E1558-R1561 PolarHBondContact O-N 2.95Å; E1558-R1561 IonicContact OE1-NE 3.91Å; E1558-R1561 IonicContact OE2-CZ 2.8Å; E1558-R1561 IonicContact OE2-NE 3.65Å; E1558-R1561 PolarHBondContact OE2-NE 3.38Å; E1558-R1561 IonicContact OE2-NH2 2.81Å; E1558-R1561 PolarHBondContact OE2-NH2 3.33Å; E1558-L1562 PolarHBondContact O-N 2.96Å; E1558-L1562 VanDerWaalsContact O-N 3.09Å |
| 1559 | L | 92.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 174.6 | -179.6 | 66.8 | 0 | 0 | 0 | 111 | M1527 A1535 F1538 L1555 E1556 R1561 L1562 L1563 | M1527-L1559 HydrophobicContact CE-CD1 3.26Å; A1535-L1559 HydrophobicContact CB-CD2 3.99Å; F1538-L1559 HydrophobicContact CD1-CD1 4.27Å; F1538-L1559 HydrophobicContact CD1-CD2 4.1Å; F1538-L1559 HydrophobicContact CE1-CD1 4.4Å; L1555-L1559 WeakPolarHBondContact O-CB 3.39Å; L1555-L1559 PolarHBondContact O-N 3.43Å; E1556-L1559 PolarHBondContact O-N 2.95Å; L1559-R1561 VanDerWaalsContact C-N 3.26Å; L1559-R1561 PolarHBondContact O-N 3.1Å; L1559-L1562 WeakPolarHBondContact O-CB 3.45Å; L1559-L1562 PolarHBondContact O-N 2.91Å; L1559-L1562 VanDerWaalsContact O-N 3.08Å; L1559-L1563 HydrophobicContact CD1-CD1 3.92Å; L1559-L1563 HydrophobicContact CD1-CG 4.14Å; L1559-L1563 HydrophobicContact CD2-CD1 4.32Å; L1559-L1563 HydrophobicContact CG-CD1 3.83Å; L1559-L1563 HydrophobicContact CG-CG 4.33Å; L1559-L1563 WeakPolarHBondContact O-CG 3.28Å; L1559-L1563 PolarHBondContact O-N 3.36Å |
| 1560 | N | 89.5 | Confident | 81.2 | Confident | 82 Ų | 82 | 71.2 Ų | 71.2 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 177.7 | -77.1 | -33 | 0 | 0 | 0 | 111.2 | E1556 L1562 L1563 H1564 | E1556-N1560 WeakPolarHBondContact CG-ND2 3.44Å; E1556-N1560 VanDerWaalsContact O-CB 3.26Å; E1556-N1560 WeakPolarHBondContact O-CB 3.36Å; E1556-N1560 VanDerWaalsContact O-CG 3.31Å; E1556-N1560 PolarHBondContact O-N 3.45Å; E1556-N1560 PolarHBondContact O-ND2 3.45Å; N1560-L1562 VanDerWaalsContact C-N 3.32Å; N1560-L1562 PolarHBondContact O-N 3.17Å; N1560-L1563 PolarHBondContact O-N 3.27Å; N1560-H1564 WeakPolarHBondContact O-CB 3.48Å; N1560-H1564 PolarHBondContact O-N 3.42Å |
| 1561 | R | 89.4 | Confident | 78.4 | Confident | 132 Ų | 132 | 71.8 Ų | 71.8 | 50% | 0.498 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.5 | -39.3 | 173.3 | -166.4 | 178.2 | 73 | 87.6 | -2.8 | 112.7 | C1557 E1558 L1559 | C1557-R1561 WeakPolarHBondContact O-CB 3.31Å; C1557-R1561 PolarHBondContact O-N 3.27Å; E1558-R1561 PolarHBondContact O-N 2.95Å; E1558-R1561 IonicContact OE1-NE 3.91Å; E1558-R1561 IonicContact OE2-CZ 2.8Å; E1558-R1561 IonicContact OE2-NE 3.65Å; E1558-R1561 PolarHBondContact OE2-NE 3.38Å; E1558-R1561 IonicContact OE2-NH2 2.81Å; E1558-R1561 PolarHBondContact OE2-NH2 3.33Å; L1559-R1561 VanDerWaalsContact C-N 3.26Å; L1559-R1561 PolarHBondContact O-N 3.1Å |
| 1562 | L | 88.4 | Confident | 75.5 | Confident | 11 Ų | 11 | 77.5 Ų | 77.5 | 6% | 0.058 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -72.1 | -37.4 | 176 | -78.1 | -175.8 | 0 | 0 | 0 | 113.6 | L1490 L1493 W1496 W1504 E1558 L1559 N1560 P1565 | L1490-L1562 HydrophobicContact CB-CD2 4.13Å; L1490-L1562 HydrophobicContact CD2-CD2 4.28Å; L1493-L1562 HydrophobicContact CD2-CB 4.22Å; W1496-L1562 HydrophobicContact CH2-CD1 4.11Å; W1496-L1562 HydrophobicContact CH2-CD2 4.28Å; W1496-L1562 HydrophobicContact CZ3-CD1 4.14Å; W1504-L1562 HydrophobicContact CD2-CD1 3.88Å; W1504-L1562 HydrophobicContact CE3-CD1 4.41Å; W1504-L1562 HydrophobicContact CG-CD1 4.43Å; W1504-L1562 HydrophobicContact CH2-CD1 3.98Å; W1504-L1562 HydrophobicContact CZ2-CD1 3.37Å; W1504-L1562 HydrophobicContact CZ2-CG 4.14Å; W1504-L1562 HydrophobicContact CZ3-CD1 4.46Å; E1558-L1562 PolarHBondContact O-N 2.96Å; E1558-L1562 VanDerWaalsContact O-N 3.09Å; L1559-L1562 WeakPolarHBondContact O-CB 3.45Å; L1559-L1562 PolarHBondContact O-N 2.91Å; L1559-L1562 VanDerWaalsContact O-N 3.08Å; N1560-L1562 VanDerWaalsContact C-N 3.32Å; N1560-L1562 PolarHBondContact O-N 3.17Å; L1562-P1565 WeakPolarHBondContact O-CD 3.31Å |
| 1563 | L | 87.7 | Confident | 72.4 | Confident | 4 Ų | 4 | 81.8 Ų | 81.8 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -84.1 | -18.9 | -176.8 | -66.5 | 179.8 | 0 | 0 | 0 | 113.1 | L1493 M1527 V1528 L1559 N1560 P1565 Y1566 R1567 | L1493-L1563 HydrophobicContact CD2-CD2 3.64Å; M1527-L1563 HydrophobicContact CB-CD2 4.37Å; M1527-L1563 WeakPolarHBondContact O-CD2 3.44Å; V1528-L1563 HydrophobicContact CG2-CD2 4.4Å; L1559-L1563 HydrophobicContact CD1-CD1 3.92Å; L1559-L1563 HydrophobicContact CD1-CG 4.14Å; L1559-L1563 HydrophobicContact CD2-CD1 4.32Å; L1559-L1563 HydrophobicContact CG-CD1 3.83Å; L1559-L1563 HydrophobicContact CG-CG 4.33Å; L1559-L1563 WeakPolarHBondContact O-CG 3.28Å; L1559-L1563 PolarHBondContact O-N 3.36Å; N1560-L1563 PolarHBondContact O-N 3.27Å; L1563-P1565 VanDerWaalsContact C-CD 3.47Å; L1563-Y1566 PolarHBondContact O-N 3.01Å; L1563-R1567 HydrophobicContact CB-CG 4.45Å; L1563-R1567 PolarHBondContact O-N 3.48Å |
| 1564 | H | 80.6 | Confident | 69.3 | Low | 127 Ų | 127 | 82.3 Ų | 82.3 | 59% | 0.588 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -50.4 | -46.6 | -178.6 | -163 | 69.4 | 0 | 0 | 0 | 113.2 | N1560 Y1566 R1567 S1568 | N1560-H1564 WeakPolarHBondContact O-CB 3.48Å; N1560-H1564 PolarHBondContact O-N 3.42Å; H1564-Y1566 PolarHBondContact O-N 3.31Å; H1564-Y1566 VanDerWaalsContact O-N 3.15Å; H1564-R1567 PolarHBondContact O-N 3Å; H1564-S1568 PolarHBondContact CE1-OG 3.03Å; H1564-S1568 PolarHBondContact ND1-OG 3.3Å; H1564-S1568 VanDerWaalsContact O-CB 3.23Å; H1564-S1568 WeakPolarHBondContact O-CB 3.24Å; H1564-S1568 PolarHBondContact O-N 3.32Å; H1564-S1568 PolarHBondContact O-OG 2.8Å |
| 1565 | P | 78.2 | Confident | 66.3 | Low | 63 Ų | 63 | 83.7 Ų | 83.7 | 41% | 0.409 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.7 | -23.5 | 178.1 | -21.5 | 34.7 | 0 | 0 | 0 | 114.5 | L1562 L1563 V1569 | L1562-P1565 WeakPolarHBondContact O-CD 3.31Å; L1563-P1565 VanDerWaalsContact C-CD 3.47Å; P1565-V1569 WeakPolarHBondContact O-CG2 3.41Å |
| 1566 | Y | 77.4 | Confident | 63 | Low | 68 Ų | 68 | 95.1 Ų | 95.1 | 27% | 0.267 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -97.1 | -32.1 | -176.8 | -60.3 | -85.7 | 0 | 0 | 0 | 112.6 | D1492 L1493 V1528 L1563 H1564 | D1492-Y1566 WeakPolarHBondContact CA-OH 3.35Å; D1492-Y1566 PolarHBondContact N-OH 2.99Å; L1493-Y1566 HydrophobicContact CB-CE2 3.74Å; L1493-Y1566 PolarHBondContact N-OH 3.35Å; V1528-Y1566 HydrophobicContact CG1-CD1 3.59Å; V1528-Y1566 HydrophobicContact CG1-CE1 4.24Å; V1528-Y1566 HydrophobicContact CG1-CG 3.83Å; V1528-Y1566 HydrophobicContact CG2-CD1 4.4Å; V1528-Y1566 HydrophobicContact CG2-CD2 4.27Å; V1528-Y1566 HydrophobicContact CG2-CE2 4.5Å; V1528-Y1566 HydrophobicContact CG2-CG 4.24Å; L1563-Y1566 PolarHBondContact O-N 3.01Å; H1564-Y1566 PolarHBondContact O-N 3.31Å; H1564-Y1566 VanDerWaalsContact O-N 3.15Å |
| 1567 | R | 72.9 | Confident | 60.3 | Low | 109 Ų | 109 | 96.6 Ų | 96.6 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -84.9 | -24.7 | 178 | -67.3 | -170.2 | -174.3 | -104.8 | 0.3 | 113.3 | P1531 F1533 L1563 H1564 V1569 | P1531-R1567 PolarHBondContact O-NH1 2.99Å; P1531-R1567 PolarHBondContact O-NH2 3.34Å; F1533-R1567 PolarHBondContact O-NH2 3.47Å; L1563-R1567 HydrophobicContact CB-CG 4.45Å; L1563-R1567 PolarHBondContact O-N 3.48Å; H1564-R1567 PolarHBondContact O-N 3Å; R1567-V1569 PolarHBondContact O-N 3.03Å |
| 1568 | S | 50.1 | Low | 57.3 | Low | 53 Ų | 53 | 101 Ų | 101 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -77.6 | -13.7 | -175.8 | -51.4 | 0 | 0 | 0 | 0 | 115.1 | H1564 N1570 Q1571 | H1564-S1568 PolarHBondContact CE1-OG 3.03Å; H1564-S1568 PolarHBondContact ND1-OG 3.3Å; H1564-S1568 VanDerWaalsContact O-CB 3.23Å; H1564-S1568 WeakPolarHBondContact O-CB 3.24Å; H1564-S1568 PolarHBondContact O-N 3.32Å; H1564-S1568 PolarHBondContact O-OG 2.8Å; S1568-N1570 PolarHBondContact O-N 2.96Å; S1568-N1570 VanDerWaalsContact O-N 3.14Å; S1568-Q1571 PolarHBondContact O-N 2.97Å |
| 1569 | V | 42.2 | Very low | 54.3 | Low | 94 Ų | 94 | 105.2 Ų | 105.2 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -70.5 | -9.5 | -174.4 | 179.2 | 0 | 0 | 0 | 0 | 112.8 | P1565 R1567 | P1565-V1569 WeakPolarHBondContact O-CG2 3.41Å; R1567-V1569 PolarHBondContact O-N 3.03Å |
| 1570 | N | 33.9 | Very low | 51.3 | Low | 125 Ų | 125 | 111 Ų | 111 | 67% | 0.668 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -87 | -2.6 | -179.7 | -74.8 | -5.5 | 0 | 0 | 0 | 115.5 | S1568 | S1568-N1570 PolarHBondContact O-N 2.96Å; S1568-N1570 VanDerWaalsContact O-N 3.14Å |
| 1571 | Q | 29.7 | Very low | 48.4 | Very low | 175 Ų | 175 | 114.5 Ų | 114.5 | 82% | 0.818 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -111.2 | -16.1 | -174.8 | -69 | -173.7 | 7.4 | 0 | 0 | 116.4 | S1568 | S1568-Q1571 PolarHBondContact O-N 2.97Š|
| 1572 | N | 27.6 | Very low | 45.6 | Very low | 155 Ų | 155 | 112.7 Ų | 112.7 | 83% | 0.829 | 60% | 0.603 | S | S | * | * | trans | -136.3 | 67.3 | -175.3 | -76.3 | -25.4 | 0 | 0 | 0 | 113.5 | ||||
| 1573 | T | 27.6 | Very low | 43 | Very low | 125 Ų | 125 | 117.3 Ų | 117.3 | 77% | 0.767 | 63% | 0.628 | S | S | * | * | trans | -138.5 | 83.9 | 159.6 | 43.8 | 0 | 0 | 0 | 0 | 110.6 | V1575 | T1573-V1575 PolarHBondContact O-N 2.97Š| ||
| 1574 | S | 26.4 | Very low | 40.4 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 83% | 0.832 | 65% | 0.65 | S | S | * | * | trans | -54.7 | 114.2 | 156.8 | 163.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1575 | V | 28.9 | Very low | 38.3 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 73% | 0.733 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 57.6 | 92.9 | 155.3 | -167.8 | 0 | 0 | 0 | 0 | 116.7 | T1573 | T1573-V1575 PolarHBondContact O-N 2.97Š|
| 1576 | R | 24.7 | Very low | 36.7 | Very low | 241 Ų | 241 | 120.4 Ų | 120.4 | 91% | 0.909 | 64% | 0.639 | S | S | * | * | -159.8 | 99.1 | 127.5 | -102.7 | 177.3 | -168.4 | -161.8 | 3.3 | 108.1 | N1578 | R1576-N1578 PolarHBondContact O-N 3.42Š| |||
| 1577 | P | 37.4 | Very low | 34.8 | Very low | 110 Ų | 110 | 117.8 Ų | 117.8 | 71% | 0.714 | 63% | 0.631 | S | S | * | * | trans | -83.7 | 111.7 | 178.2 | 32.1 | -26.5 | 0 | 0 | 0 | 107.8 | ||||
| 1578 | N | 26.5 | Very low | 33.4 | Very low | 156 Ų | 156 | 114.7 Ų | 114.7 | 83% | 0.834 | 63% | 0.629 | S | S | * | * | trans | 166.2 | 68.2 | 152.5 | -85.2 | -13.9 | 0 | 0 | 0 | 107.8 | R1576 | R1576-N1578 PolarHBondContact O-N 3.42Š| ||
| 1579 | D | 27.8 | Very low | 32.9 | Very low | 139 Ų | 139 | 114 Ų | 114 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -146.6 | 129.6 | 148.9 | -87.3 | -38.3 | 0 | 0 | 0 | 106.3 | I1581 | D1579-I1581 PolarHBondContact O-N 3.28Š|
| 1580 | S | 29.5 | Very low | 32.8 | Very low | 122 Ų | 122 | 111.8 Ų | 111.8 | 85% | 0.853 | 61% | 0.605 | S | S | * | * | trans | -35.1 | 100 | -175 | 176.9 | 0 | 0 | 0 | 0 | 112.9 | M1582 | S1580-M1582 PolarHBondContact O-N 2.97Š| ||
| 1581 | I | 29.7 | Very low | 33.1 | Very low | 155 Ų | 155 | 108.6 Ų | 108.6 | 80% | 0.795 | 59% | 0.587 | S | S | * | * | trans | -51.4 | 127 | 173.2 | -71.1 | 168.3 | 0 | 0 | 0 | 108.6 | D1579 N1583 | D1579-I1581 PolarHBondContact O-N 3.28Å; I1581-N1583 PolarHBondContact O-N 2.93Å | ||
| 1582 | M | 30.7 | Very low | 33.6 | Very low | 94 Ų | 94 | 101 Ų | 101 | 46% | 0.463 | 56% | 0.555 | S | S | . | * | trans | -48.3 | 104 | 176.5 | -69.2 | -77.9 | -170.2 | 0 | 0 | 110.1 | R1471 S1580 Y1584 | R1471-M1582 PolarHBondContact NH2-SD 2.9Å; S1580-M1582 PolarHBondContact O-N 2.97Å; M1582-Y1584 VanDerWaalsContact C-N 3.31Å; M1582-Y1584 HydrophobicContact CB-CD2 3.96Å; M1582-Y1584 HydrophobicContact CB-CE2 3.45Å; M1582-Y1584 VanDerWaalsContact CB-CE2 3.45Å; M1582-Y1584 HydrophobicContact CG-CE2 4.35Å; M1582-Y1584 WeakPolarHBondContact O-CD2 3.43Å; M1582-Y1584 PolarHBondContact O-N 2.96Å | ||
| 1583 | N | 33.5 | Very low | 34.3 | Very low | 109 Ų | 109 | 96.4 Ų | 96.4 | 58% | 0.583 | 54% | 0.535 | S | S | * | . | trans | -81.7 | 81.9 | 179.2 | -156.2 | 5.9 | 0 | 0 | 0 | 108.7 | I1581 D1585 T1586 | I1581-N1583 PolarHBondContact O-N 2.93Å; N1583-D1585 PolarHBondContact O-N 3.43Å; N1583-T1586 VanDerWaalsContact O-CB 3.24Å; N1583-T1586 WeakPolarHBondContact O-CB 3.37Å; N1583-T1586 PolarHBondContact O-N 2.94Å; N1583-T1586 PolarHBondContact O-OG1 3.18Å | ||
| 1584 | Y | 33.5 | Very low | 34.9 | Very low | 127 Ų | 127 | 91.4 Ų | 91.4 | 50% | 0.498 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.4 | -179 | -70.4 | -82.2 | 0 | 0 | 0 | 112.7 | M1582 T1586 A1587 | M1582-Y1584 VanDerWaalsContact C-N 3.31Å; M1582-Y1584 HydrophobicContact CB-CD2 3.96Å; M1582-Y1584 HydrophobicContact CB-CE2 3.45Å; M1582-Y1584 VanDerWaalsContact CB-CE2 3.45Å; M1582-Y1584 HydrophobicContact CG-CE2 4.35Å; M1582-Y1584 WeakPolarHBondContact O-CD2 3.43Å; M1582-Y1584 PolarHBondContact O-N 2.96Å; Y1584-T1586 PolarHBondContact O-N 3.24Å; Y1584-A1587 PolarHBondContact O-N 3.2Å |
| 1585 | D | 35.9 | Very low | 35.2 | Very low | 76 Ų | 76 | 90.3 Ų | 90.3 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -13.3 | 172 | -68.9 | -35.5 | 0 | 0 | 0 | 113.2 | R424 N1583 A1587 S1589 | R424-D1585 IonicContact CZ-OD1 3.55Å; R424-D1585 IonicContact NH1-OD1 3.28Å; R424-D1585 PolarHBondContact NH1-OD1 2.97Å; N1583-D1585 PolarHBondContact O-N 3.43Å; D1585-A1587 VanDerWaalsContact C-N 3.26Å; D1585-A1587 PolarHBondContact O-N 2.91Å; D1585-S1589 WeakPolarHBondContact O-CA 3.4Å; D1585-S1589 WeakPolarHBondContact O-CB 3.45Å; D1585-S1589 PolarHBondContact O-N 3.48Å |
| 1586 | T | 45 | Very low | 35.2 | Very low | 56 Ų | 56 | 91.5 Ų | 91.5 | 34% | 0.344 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.9 | -28.5 | 176.2 | -44.4 | 0 | 0 | 0 | 0 | 112.1 | Y1463 N1583 Y1584 S1589 W1590 | Y1463-T1586 PolarHBondContact OH-O 3.27Å; N1583-T1586 VanDerWaalsContact O-CB 3.24Å; N1583-T1586 WeakPolarHBondContact O-CB 3.37Å; N1583-T1586 PolarHBondContact O-N 2.94Å; N1583-T1586 PolarHBondContact O-OG1 3.18Å; Y1584-T1586 PolarHBondContact O-N 3.24Å; T1586-S1589 CarbonylContact O-C 3.56Å; T1586-W1590 WeakPolarHBondContact O-CA 3.36Å; T1586-W1590 WeakPolarHBondContact O-CB 3.45Å; T1586-W1590 PolarHBondContact O-N 2.85Å |
| 1587 | A | 36.8 | Very low | 35.5 | Very low | 12 Ų | 12 | 81.7 Ų | 81.7 | 10% | 0.099 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -71.1 | -51.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1463 Y1584 D1585 S1589 W1590 I1591 | Y1463-A1587 HydrophobicContact CD1-CB 4.19Å; Y1463-A1587 HydrophobicContact CE1-CB 3.42Å; Y1463-A1587 VanDerWaalsContact CE1-CB 3.42Å; Y1463-A1587 WeakPolarHBondContact OH-CA 3.42Å; Y1463-A1587 PolarHBondContact OH-N 3.35Å; Y1584-A1587 PolarHBondContact O-N 3.2Å; D1585-A1587 VanDerWaalsContact C-N 3.26Å; D1585-A1587 PolarHBondContact O-N 2.91Å; A1587-S1589 VanDerWaalsContact C-N 3.33Å; A1587-W1590 PolarHBondContact O-N 3.39Å; A1587-W1590 VanDerWaalsContact O-N 3.15Å; A1587-I1591 WeakPolarHBondContact O-CG1 3.27Å; A1587-I1591 PolarHBondContact O-N 3.32Å |
| 1588 | A | 43 | Very low | 34.9 | Very low | 45 Ų | 45 | 84.8 Ų | 84.8 | 37% | 0.372 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | W1590 I1591 A1592 | A1588-W1590 VanDerWaalsContact C-N 3.3Å; A1588-W1590 PolarHBondContact O-N 3.37Å; A1588-I1591 PolarHBondContact O-N 2.9Å; A1588-A1592 VanDerWaalsContact O-CB 3.28Å; A1588-A1592 WeakPolarHBondContact O-CB 3.49Å; A1588-A1592 PolarHBondContact O-N 2.94Å |
| 1589 | S | 41.3 | Very low | 35.1 | Very low | 38 Ų | 38 | 81.8 Ų | 81.8 | 27% | 0.266 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.8 | -29 | 174.6 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | D1585 T1586 A1587 S1593 | D1585-S1589 WeakPolarHBondContact O-CA 3.4Å; D1585-S1589 WeakPolarHBondContact O-CB 3.45Å; D1585-S1589 PolarHBondContact O-N 3.48Å; T1586-S1589 CarbonylContact O-C 3.56Å; A1587-S1589 VanDerWaalsContact C-N 3.33Å; S1589-S1593 WeakPolarHBondContact O-CA 3.26Å; S1589-S1593 WeakPolarHBondContact O-CB 3.38Å; S1589-S1593 PolarHBondContact O-N 3.19Å; S1589-S1593 PolarHBondContact O-OG 2.69Å |
| 1590 | W | 38.9 | Very low | 35.1 | Very low | 48 Ų | 48 | 79.7 Ų | 79.7 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -72.6 | -48.6 | 173.4 | -126.8 | 65.3 | 0 | 0 | 0 | 109.3 | L1439 S1440 Y1463 I1466 T1586 A1587 A1588 A1592 S1593 V1594 | L1439-W1590 WeakPolarHBondContact O-CH2 3.48Å; S1440-W1590 WeakPolarHBondContact O-CZ2 3.37Å; Y1463-W1590 HydrophobicContact CD2-CB 3.96Å; Y1463-W1590 AromaticContact CD2-CD2 3.67Å; Y1463-W1590 HydrophobicContact CD2-CD2 3.67Å; Y1463-W1590 AromaticContact CD2-CE3 3.39Å; Y1463-W1590 HydrophobicContact CD2-CE3 3.39Å; Y1463-W1590 AromaticContact CD2-CG 3.94Å; Y1463-W1590 HydrophobicContact CD2-CG 3.94Å; Y1463-W1590 HydrophobicContact CD2-CZ3 4.13Å; Y1463-W1590 HydrophobicContact CE2-CB 3.42Å; Y1463-W1590 VanDerWaalsContact CE2-CB 3.42Å; Y1463-W1590 AromaticContact CE2-CD2 3.51Å; Y1463-W1590 HydrophobicContact CE2-CD2 3.51Å; Y1463-W1590 AromaticContact CE2-CE3 3.78Å; Y1463-W1590 HydrophobicContact CE2-CE3 3.78Å; Y1463-W1590 AromaticContact CE2-CG 3.36Å; Y1463-W1590 HydrophobicContact CE2-CG 3.36Å; I1466-W1590 HydrophobicContact CD1-CH2 4.48Å; I1466-W1590 HydrophobicContact CD1-CZ3 4.45Å; T1586-W1590 WeakPolarHBondContact O-CA 3.36Å; T1586-W1590 WeakPolarHBondContact O-CB 3.45Å; T1586-W1590 PolarHBondContact O-N 2.85Å; A1587-W1590 PolarHBondContact O-N 3.39Å; A1587-W1590 VanDerWaalsContact O-N 3.15Å; A1588-W1590 VanDerWaalsContact C-N 3.3Å; A1588-W1590 PolarHBondContact O-N 3.37Å; W1590-A1592 PolarHBondContact O-N 3.41Å; W1590-S1593 PolarHBondContact O-N 2.82Å; W1590-S1593 VanDerWaalsContact O-N 3.11Å; W1590-V1594 HydrophobicContact CD2-CG2 4.2Å; W1590-V1594 HydrophobicContact CE3-CG2 3.74Å; W1590-V1594 HydrophobicContact CZ3-CG2 4.07Å; W1590-V1594 WeakPolarHBondContact O-CB 3.44Å; W1590-V1594 WeakPolarHBondContact O-CG2 3.5Å; W1590-V1594 PolarHBondContact O-N 3.1Å |
| 1591 | I | 40.2 | Very low | 35 | Very low | 57 Ų | 57 | 82 Ų | 82 | 29% | 0.292 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -56.1 | -38.9 | 176.1 | -66.8 | 167 | 0 | 0 | 0 | 110.8 | L1460 A1587 A1588 | L1460-I1591 HydrophobicContact CD1-CD1 3.88Å; A1587-I1591 WeakPolarHBondContact O-CG1 3.27Å; A1587-I1591 PolarHBondContact O-N 3.32Å; A1588-I1591 PolarHBondContact O-N 2.9Å |
| 1592 | A | 41.1 | Very low | 34.8 | Very low | 17 Ų | 17 | 84.7 Ų | 84.7 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -77.2 | -37.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T413 A1588 W1590 V1594 E1595 | T413-A1592 HydrophobicContact CG2-CB 4.12Å; A1588-A1592 VanDerWaalsContact O-CB 3.28Å; A1588-A1592 WeakPolarHBondContact O-CB 3.49Å; A1588-A1592 PolarHBondContact O-N 2.94Å; W1590-A1592 PolarHBondContact O-N 3.41Å; A1592-V1594 PolarHBondContact O-N 3.27Å; A1592-E1595 WeakPolarHBondContact O-CA 3.42Å; A1592-E1595 WeakPolarHBondContact O-CB 3.34Å; A1592-E1595 PolarHBondContact O-N 2.97Å |
| 1593 | S | 41.1 | Very low | 34.5 | Very low | 58 Ų | 58 | 88.1 Ų | 88.1 | 41% | 0.406 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.3 | -27.2 | 176.3 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | S1589 W1590 E1595 R1596 | S1589-S1593 WeakPolarHBondContact O-CA 3.26Å; S1589-S1593 WeakPolarHBondContact O-CB 3.38Å; S1589-S1593 PolarHBondContact O-N 3.19Å; S1589-S1593 PolarHBondContact O-OG 2.69Å; W1590-S1593 PolarHBondContact O-N 2.82Å; W1590-S1593 VanDerWaalsContact O-N 3.11Å; S1593-E1595 PolarHBondContact O-N 3.01Å; S1593-R1596 WeakPolarHBondContact O-CB 3.48Å; S1593-R1596 PolarHBondContact O-N 3.36Å |
| 1594 | V | 41 | Very low | 34.2 | Very low | 20 Ų | 20 | 88.6 Ų | 88.6 | 12% | 0.121 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11 | 172.5 | 168.9 | 0 | 0 | 0 | 0 | 109.8 | T1443 K1444 W1590 A1592 | T1443-V1594 VanDerWaalsContact C-CG1 3.43Å; K1444-V1594 HydrophobicContact CB-CG1 3.63Å; K1444-V1594 WeakPolarHBondContact CB-O 3.47Å; K1444-V1594 HydrophobicContact CG-CG1 4.45Å; K1444-V1594 PolarHBondContact N-O 2.82Å; W1590-V1594 HydrophobicContact CD2-CG2 4.2Å; W1590-V1594 HydrophobicContact CE3-CG2 3.74Å; W1590-V1594 HydrophobicContact CZ3-CG2 4.07Å; W1590-V1594 WeakPolarHBondContact O-CB 3.44Å; W1590-V1594 WeakPolarHBondContact O-CG2 3.5Å; W1590-V1594 PolarHBondContact O-N 3.1Å; A1592-V1594 PolarHBondContact O-N 3.27Å |
| 1595 | E | 32.1 | Very low | 33.7 | Very low | 96 Ų | 96 | 90.7 Ų | 90.7 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -7.8 | 165.3 | -62.6 | 178.4 | 147.4 | 0 | 0 | 114.7 | K1444 A1592 S1593 | K1444-E1595 HydrophobicContact CD-CG 3.69Å; K1444-E1595 IonicContact NZ-OE1 3.67Å; K1444-E1595 PolarHBondContact NZ-OE1 3.4Å; A1592-E1595 WeakPolarHBondContact O-CA 3.42Å; A1592-E1595 WeakPolarHBondContact O-CB 3.34Å; A1592-E1595 PolarHBondContact O-N 2.97Å; S1593-E1595 PolarHBondContact O-N 3.01Å |
| 1596 | R | 29.5 | Very low | 33.3 | Very low | 146 Ų | 146 | 95.6 Ų | 95.6 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -69.2 | 141 | 176.9 | -97.7 | -173.3 | -167.9 | -141.1 | 2.1 | 111.9 | S1593 | S1593-R1596 WeakPolarHBondContact O-CB 3.48Å; S1593-R1596 PolarHBondContact O-N 3.36Å |
| 1597 | P | 31.1 | Very low | 32.3 | Very low | 34 Ų | 34 | 101.5 Ų | 101.5 | 22% | 0.221 | 51% | 0.507 | C | S | . | . | trans | -76.1 | 155.5 | 171.3 | 1.9 | 17.8 | 0 | 0 | 0 | 110.2 | R405 E409 | R405-P1597 VanDerWaalsContact CZ-CG 3.44Å; E409-P1597 WeakPolarHBondContact OE2-CD 3.45Å; E409-P1597 WeakPolarHBondContact OE2-CG 3.39Å | ||
| 1598 | E | 25.7 | Very low | 31.8 | Very low | 176 Ų | 176 | 107.4 Ų | 107.4 | 82% | 0.822 | 54% | 0.542 | S | S | * | . | trans | -38.2 | 119.5 | -177.1 | -79.2 | -157.1 | 146.8 | 0 | 0 | 113.1 | A1600 | E1598-A1600 PolarHBondContact O-N 2.89Š| ||
| 1599 | P | 30.7 | Very low | 31.1 | Very low | 92 Ų | 92 | 108.7 Ų | 108.7 | 60% | 0.597 | 56% | 0.559 | S | S | * | * | trans | -71.3 | 120.4 | 164.1 | 17.8 | -10.1 | 0 | 0 | 0 | 107.8 | Y1601 | P1599-Y1601 HydrophobicContact CG-CE2 4.19Å; P1599-Y1601 WeakPolarHBondContact O-CD2 3.47Å; P1599-Y1601 PolarHBondContact O-N 3.35Å | ||
| 1600 | A | 26.8 | Very low | 30.4 | Very low | 95 Ų | 95 | 114.7 Ų | 114.7 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | trans | -53.9 | 103.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | E1598 Y1602 | E1598-A1600 PolarHBondContact O-N 2.89Å; A1600-Y1602 PolarHBondContact O-N 2.95Å | ||
| 1601 | Y | 27.7 | Very low | 30 | Very low | 171 Ų | 171 | 117.2 Ų | 117.2 | 67% | 0.671 | 62% | 0.619 | S | S | * | * | trans | -71.1 | 121.2 | 179 | -88.2 | -89.3 | 0 | 0 | 0 | 109 | P1599 E1603 | P1599-Y1601 HydrophobicContact CG-CE2 4.19Å; P1599-Y1601 WeakPolarHBondContact O-CD2 3.47Å; P1599-Y1601 PolarHBondContact O-N 3.35Å; Y1601-E1603 PolarHBondContact O-N 3.49Å | ||
| 1602 | Y | 24.8 | Very low | 29.4 | Very low | 212 Ų | 212 | 123 Ų | 123 | 83% | 0.831 | 65% | 0.65 | S | S | * | * | trans | -47.8 | 118.7 | -178.7 | -90.3 | -98.5 | 0 | 0 | 0 | 112.9 | A1600 N1604 | A1600-Y1602 PolarHBondContact O-N 2.95Å; Y1602-N1604 PolarHBondContact O-N 3.3Å | ||
| 1603 | E | 24.1 | Very low | 28.6 | Very low | 166 Ų | 166 | 125.7 Ų | 125.7 | 78% | 0.776 | 68% | 0.679 | S | S | * | * | trans | -76.6 | 93.7 | 168.3 | -166.4 | 165.9 | -160.2 | 0 | 0 | 108.3 | Y1601 Q1605 | Y1601-E1603 PolarHBondContact O-N 3.49Å; E1603-Q1605 PolarHBondContact O-N 3.03Å; E1603-Q1605 VanDerWaalsContact O-N 3.09Å | ||
| 1604 | N | 27.3 | Very low | 28 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | trans | -74.2 | 96.1 | 174 | -79.8 | -29.4 | 0 | 0 | 0 | 109.4 | Y1602 F1606 | Y1602-N1604 PolarHBondContact O-N 3.3Å; N1604-F1606 HydrophobicContact CB-CD2 4.15Å; N1604-F1606 HydrophobicContact CB-CE2 3.84Å; N1604-F1606 PolarHBondContact O-N 3.45Å; N1604-F1606 VanDerWaalsContact O-N 3.11Å | ||
| 1605 | Q | 23.9 | Very low | 27.2 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | -69 | 98.8 | 162.8 | -72.4 | -177.8 | -13.8 | 0 | 0 | 108.7 | E1603 E1607 | E1603-Q1605 PolarHBondContact O-N 3.03Å; E1603-Q1605 VanDerWaalsContact O-N 3.09Å; Q1605-E1607 PolarHBondContact O-N 3.5Å | ||
| 1606 | F | 26.9 | Very low | 27 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -77.8 | 98.4 | 167.9 | -77.7 | -85 | 0 | 0 | 0 | 108.8 | N1604 T1608 | N1604-F1606 HydrophobicContact CB-CD2 4.15Å; N1604-F1606 HydrophobicContact CB-CE2 3.84Å; N1604-F1606 PolarHBondContact O-N 3.45Å; N1604-F1606 VanDerWaalsContact O-N 3.11Å; F1606-T1608 PolarHBondContact O-N 3.32Å | ||
| 1607 | E | 24.8 | Very low | 26.8 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -70.4 | 113.7 | 160.3 | -75.1 | -170.1 | 165 | 0 | 0 | 108.7 | Q1605 G1609 | Q1605-E1607 PolarHBondContact O-N 3.5Å; E1607-G1609 PolarHBondContact O-N 2.99Å | ||
| 1608 | T | 26.7 | Very low | 26.4 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -70.3 | 92.6 | 176.5 | 49.1 | 0 | 0 | 0 | 0 | 110.1 | F1606 | F1606-T1608 PolarHBondContact O-N 3.32Š| ||
| 1609 | G | 27.7 | Very low | 26.3 | Very low | 72 Ų | 72 | 146.7 Ų | 146.7 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -94.2 | 97.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111 | E1607 A1611 | E1607-G1609 PolarHBondContact O-N 2.99Å; G1609-A1611 PolarHBondContact O-N 3.47Å | ||
| 1610 | D | 26.5 | Very low | 26.2 | Very low | 165 Ų | 165 | 148 Ų | 148 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -66.6 | 109.7 | 167.5 | -84.1 | -35.4 | 0 | 0 | 0 | 110.1 | ||||
| 1611 | A | 30.8 | Very low | 26 | Very low | 100 Ų | 100 | 149.3 Ų | 149.3 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -141.8 | 90.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G1609 | G1609-A1611 PolarHBondContact O-N 3.47Š| ||
| 1612 | L | 26.7 | Very low | 25.8 | Very low | 178 Ų | 178 | 147 Ų | 147 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | trans | -65.9 | 127.4 | 170.5 | -77.8 | 158.5 | 0 | 0 | 0 | 111.2 | ||||
| 1613 | G | 25.6 | Very low | 25.8 | Very low | 74 Ų | 74 | 146 Ų | 146 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | 91.1 | 111.9 | 138.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1614 | S | 27.8 | Very low | 25.7 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | -162.5 | 109.8 | 122.1 | 66 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1615 | D | 24.4 | Very low | 25.7 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -53.7 | 137.1 | 164.4 | -95.9 | -42.4 | 0 | 0 | 0 | 112.1 | ||||
| 1616 | S | 27.9 | Very low | 25.6 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -138.1 | 96.8 | 153.3 | 178.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1617 | S | 24.9 | Very low | 25.4 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | trans | -75.5 | 127.6 | 179.8 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1618 | Y | 22.9 | Very low | 25.5 | Very low | 229 Ų | 229 | 152.1 Ų | 152.1 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | trans | -122.1 | 117 | 160.1 | -115.1 | -91.2 | 0 | 0 | 0 | 108.9 | ||||
| 1619 | R | 23.8 | Very low | 25.2 | Very low | 233 Ų | 233 | 149.2 Ų | 149.2 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 119.1 | -170.7 | -178.6 | -175 | -173.3 | -170.9 | 3.1 | 110.2 | ||
| 1620 | P | 27.2 | Very low | 25.1 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 78% | 0.779 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 129.8 | 170.3 | 9.2 | 9.6 | 0 | 0 | 0 | 111.1 | ||
| 1621 | S | 23.4 | Very low | 24.9 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 127.6 | -175.5 | -59 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1622 | T | 23.1 | Very low | 24.5 | Very low | 123 Ų | 123 | 156.9 Ų | 156.9 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 127.4 | 169.6 | 46.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1623 | Q | 25.2 | Very low | 24.5 | Very low | 189 Ų | 189 | 153.1 Ų | 153.1 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -121.2 | 106.8 | 152.3 | -93.2 | -177.6 | -3.4 | 0 | 0 | 109 | ||||
| 1624 | Q | 21.9 | Very low | 24.6 | Very low | 165 Ų | 165 | 157.5 Ų | 157.5 | 77% | 0.771 | 81% | 0.814 | S | S | * | * | trans | -74 | 126.4 | 174.1 | -68.9 | 172.8 | -20.5 | 0 | 0 | 109.5 | ||||
| 1625 | H | 27.4 | Very low | 24.5 | Very low | 186 Ų | 186 | 157.6 Ų | 157.6 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -125.9 | 101.4 | 153.9 | -89.5 | -62.6 | 0 | 0 | 0 | 109.3 | ||||
| 1626 | Q | 22.2 | Very low | 24.8 | Very low | 166 Ų | 166 | 155.3 Ų | 155.3 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -58.7 | 132.3 | 162.5 | -73 | 167.3 | -13.6 | 0 | 0 | 109.5 | ||||
| 1627 | R | 23.5 | Very low | 24.7 | Very low | 247 Ų | 247 | 157.8 Ų | 157.8 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -156.5 | 139.9 | 145.3 | -111.1 | 175.3 | -166.1 | -152.3 | 3.9 | 112 | ||||
| 1628 | H | 25.5 | Very low | 24.7 | Very low | 180 Ų | 180 | 158.2 Ų | 158.2 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | -69.4 | 140.7 | -158.5 | -65.4 | -68.3 | 0 | 0 | 0 | 115.4 | ||||
| 1629 | G | 21.4 | Very low | 24.9 | Very low | 74 Ų | 74 | 156.3 Ų | 156.3 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | -79.3 | 145.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1630 | I | 25.1 | Very low | 25 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -129.5 | 108.6 | 158.9 | -64.9 | 179 | 0 | 0 | 0 | 106.8 | ||||
| 1631 | S | 22.3 | Very low | 25.1 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -61.8 | 127.6 | 171.9 | -67.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1632 | R | 22.8 | Very low | 25.4 | Very low | 234 Ų | 234 | 151 Ų | 151 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -118 | 123.3 | 159.5 | -85.5 | -173.5 | 175.8 | 173.7 | -0.7 | 109.8 | ||||
| 1633 | N | 26.8 | Very low | 25.6 | Very low | 100 Ų | 100 | 148.4 Ų | 148.4 | 54% | 0.535 | 80% | 0.795 | S | S | . | * | trans | -79.5 | 124 | -176.6 | -64.5 | -24.7 | 0 | 0 | 0 | 110.4 | R1657 | N1633-R1657 PolarHBondContact ND2-NH1 3.15Å; N1633-R1657 VanDerWaalsContact OD1-CZ 3.25Å; N1633-R1657 PolarHBondContact OD1-NH1 3.48Å; N1633-R1657 VanDerWaalsContact OD1-NH1 3.12Å; N1633-R1657 PolarHBondContact OD1-NH2 3.12Å | ||
| 1634 | I | 26.5 | Very low | 25.8 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -82.7 | 129 | 169.9 | -64.5 | 165.8 | 0 | 0 | 0 | 107.4 | ||||
| 1635 | V | 25.5 | Very low | 26.1 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -109.1 | 138.9 | 170 | 173.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1636 | P | 30.8 | Very low | 26.2 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -90 | 147.4 | -157.4 | 20.6 | -5.7 | 0 | 0 | 0 | 113.7 | ||
| 1637 | I | 26.3 | Very low | 26.5 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 140.9 | 178.2 | -65.4 | 170.5 | 0 | 0 | 0 | 109.7 | ||
| 1638 | S | 25.5 | Very low | 26.5 | Very low | 116 Ų | 116 | 125.1 Ų | 125.1 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 143.7 | -170.7 | -27.7 | 0 | 0 | 0 | 0 | 116 | ||
| 1639 | E | 25.9 | Very low | 26.5 | Very low | 188 Ų | 188 | 123.4 Ų | 123.4 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 131.5 | -178.3 | -62.8 | 166 | 149.4 | 0 | 0 | 114 | ||
| 1640 | S | 26.9 | Very low | 26.7 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | trans | -100.9 | 96.1 | 147.3 | 65.2 | 0 | 0 | 0 | 0 | 107.6 | N1642 | S1640-N1642 PolarHBondContact O-N 2.98Š| ||
| 1641 | S | 29.8 | Very low | 26.8 | Very low | 92 Ų | 92 | 124.1 Ų | 124.1 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 117.9 | 175.7 | 41.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1642 | N | 28.3 | Very low | 27 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 167.7 | -1 | 152 | -85 | -11.2 | 0 | 0 | 0 | 113.8 | S1640 | S1640-N1642 PolarHBondContact O-N 2.98Š|
| 1643 | G | 27.1 | Very low | 27.2 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -85.7 | 130.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1644 | A | 30.3 | Very low | 27.1 | Very low | 49 Ų | 49 | 129.2 Ų | 129.2 | 41% | 0.405 | 73% | 0.733 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 128.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 1645 | P | 28.5 | Very low | 27.2 | Very low | 83 Ų | 83 | 126.7 Ų | 126.7 | 54% | 0.539 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 130.3 | -176 | 23.5 | -31.4 | 0 | 0 | 0 | 109.2 | I1647 | P1645-I1647 PolarHBondContact O-N 3.43Š|
| 1646 | P | 29.2 | Very low | 27.1 | Very low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 135.8 | 177.2 | 23.4 | -31.3 | 0 | 0 | 0 | 109.7 | P1648 | P1646-P1648 WeakPolarHBondContact O-CD 3.42Å; P1646-P1648 VanDerWaalsContact O-N 3.09Å |
| 1647 | I | 27.5 | Very low | 26.9 | Very low | 107 Ų | 107 | 131 Ų | 131 | 55% | 0.549 | 72% | 0.72 | S | S | . | * | trans | -54.7 | 111.7 | -178.3 | -60.1 | 170.3 | 0 | 0 | 0 | 108.5 | P1645 I1649 | P1645-I1647 PolarHBondContact O-N 3.43Å; I1647-I1649 PolarHBondContact O-N 3Å | ||
| 1648 | P | 24.5 | Very low | 26.8 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | trans | -74.7 | 104.3 | -179.4 | -10.9 | 26.9 | 0 | 0 | 0 | 109 | P1646 R1650 | P1646-P1648 WeakPolarHBondContact O-CD 3.42Å; P1646-P1648 VanDerWaalsContact O-N 3.09Å; P1648-R1650 PolarHBondContact O-N 3.06Å | ||
| 1649 | I | 26.5 | Very low | 26.6 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | trans | -60.8 | 124.1 | 160.4 | -58.9 | 172.3 | 0 | 0 | 0 | 106.2 | I1647 A1651 | I1647-I1649 PolarHBondContact O-N 3Å; I1649-A1651 PolarHBondContact O-N 3.39Å | ||
| 1650 | R | 24.6 | Very low | 26.7 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 62% | 0.619 | 72% | 0.723 | S | S | * | * | trans | -53.9 | 90.7 | -173.2 | -174.1 | 177.5 | -177.6 | 166.8 | -0.2 | 112.2 | P1648 Q1652 | P1648-R1650 PolarHBondContact O-N 3.06Å; R1650-Q1652 PolarHBondContact O-N 2.91Å | ||
| 1651 | A | 26.9 | Very low | 26.4 | Very low | 84 Ų | 84 | 137.4 Ų | 137.4 | 69% | 0.694 | 72% | 0.721 | S | S | * | * | trans | -68.3 | 127.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | I1649 R1653 | I1649-A1651 PolarHBondContact O-N 3.39Å; A1651-R1653 PolarHBondContact O-N 3.1Å | ||
| 1652 | Q | 27.2 | Very low | 26.2 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 84% | 0.841 | 73% | 0.728 | S | S | * | * | trans | -48.2 | 103.2 | -177.9 | -69.5 | 178.2 | -30.9 | 0 | 0 | 110.9 | R1650 N1654 | R1650-Q1652 PolarHBondContact O-N 2.91Å; Q1652-N1654 PolarHBondContact O-N 3.36Å | ||
| 1653 | R | 26.1 | Very low | 25.9 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | trans | -66 | 102.8 | 176.2 | -82.6 | -172.5 | -173.8 | 170.7 | 6.2 | 109.1 | A1651 T1655 | A1651-R1653 PolarHBondContact O-N 3.1Å; R1653-T1655 VanDerWaalsContact C-N 3.34Å; R1653-T1655 HydrophobicContact CB-CG2 4.22Å; R1653-T1655 PolarHBondContact O-N 2.91Å | ||
| 1654 | N | 26 | Very low | 25.8 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | trans | -70.4 | 90.2 | 160.9 | -91.6 | -24.3 | 0 | 0 | 0 | 109.1 | Q1652 E1656 | Q1652-N1654 PolarHBondContact O-N 3.36Å; N1654-E1656 PolarHBondContact O-N 3.36Å | ||
| 1655 | T | 27.3 | Very low | 25.4 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | trans | -82.3 | 81 | 173.5 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | R1653 | R1653-T1655 VanDerWaalsContact C-N 3.34Å; R1653-T1655 HydrophobicContact CB-CG2 4.22Å; R1653-T1655 PolarHBondContact O-N 2.91Å | ||
| 1656 | E | 23.8 | Very low | 25.1 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | trans | -132.5 | 96.1 | 160.2 | -79.4 | -175.1 | -169.1 | 0 | 0 | 109 | K1394 N1654 | K1394-E1656 IonicContact NZ-OE1 2.84Å; K1394-E1656 PolarHBondContact NZ-OE1 2.9Å; N1654-E1656 PolarHBondContact O-N 3.36Å | ||
| 1657 | R | 26.6 | Very low | 25 | Very low | 182 Ų | 182 | 149 Ų | 149 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | trans | -159.5 | 97 | 159.7 | -112.5 | 167.5 | -135.3 | -110.2 | -5.4 | 110.8 | N1633 | N1633-R1657 PolarHBondContact ND2-NH1 3.15Å; N1633-R1657 VanDerWaalsContact OD1-CZ 3.25Å; N1633-R1657 PolarHBondContact OD1-NH1 3.48Å; N1633-R1657 VanDerWaalsContact OD1-NH1 3.12Å; N1633-R1657 PolarHBondContact OD1-NH2 3.12Å | ||
| 1658 | R | 24.9 | Very low | 24.8 | Very low | 242 Ų | 242 | 149.6 Ų | 149.6 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | trans | -63 | 133.2 | 160.5 | -85.1 | 179.7 | -178 | 168.7 | 1 | 109.1 | P1660 | R1658-P1660 WeakPolarHBondContact O-CD 3.14Š| ||
| 1659 | Y | 21 | Very low | 24.9 | Very low | 225 Ų | 225 | 152.4 Ų | 152.4 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | -55.3 | 135.1 | 167.6 | -63.1 | -91.3 | 0 | 0 | 0 | 111.8 | ||||
| 1660 | P | 27.5 | Very low | 24.7 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -118.3 | 113 | 146 | 29.3 | -14 | 0 | 0 | 0 | 109.2 | R1658 | R1658-P1660 WeakPolarHBondContact O-CD 3.14Š| ||
| 1661 | T | 21.4 | Very low | 24.6 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -58.5 | 124.4 | 164.3 | -26.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1662 | S | 24.7 | Very low | 24.7 | Very low | 112 Ų | 112 | 154.2 Ų | 154.2 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | 174.4 | 109.5 | 141.5 | -78.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1663 | T | 22 | Very low | 24.6 | Very low | 131 Ų | 131 | 154.9 Ų | 154.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 0.9 | 127 | 140.1 | -37.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1664 | S | 25.5 | Very low | 24.9 | Very low | 108 Ų | 108 | 151 Ų | 151 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | 162.2 | 106 | 119.2 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1665 | Q | 22.4 | Very low | 25.3 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 25.2 | 133.3 | 133.8 | -72.4 | -172.6 | 2.3 | 0 | 0 | 122.1 | ||||
| 1666 | L | 21.9 | Very low | 25.3 | Very low | 146 Ų | 146 | 152 Ų | 152 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | 75.2 | 115.9 | 140.4 | -63.4 | 160.8 | 0 | 0 | 0 | 118.3 | ||||
| 1667 | T | 27.1 | Very low | 25.4 | Very low | 135 Ų | 135 | 151.5 Ų | 151.5 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | 172.8 | 132.3 | 87.2 | -53.6 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1668 | V | 22.5 | Very low | 25.4 | Very low | 121 Ų | 121 | 147 Ų | 147 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | -69.4 | 135.3 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1669 | N | 26.8 | Very low | 25.4 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -153.6 | 132.6 | 147.8 | -109.9 | -13.4 | 0 | 0 | 0 | 112.5 | ||||
| 1670 | S | 22.9 | Very low | 25.7 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -81.3 | 171.3 | -172.2 | -63.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1671 | Q | 22.9 | Very low | 25.6 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 83.2 | 98.8 | 160.6 | -66.7 | 175.1 | -26.1 | 0 | 0 | 117.8 | ||||
| 1672 | N | 27.9 | Very low | 25.7 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | 167.6 | 117.5 | 114.6 | -83 | -29.1 | 0 | 0 | 0 | 111.5 | |||||
| 1673 | Q | 26.4 | Very low | 25.7 | Very low | 194 Ų | 194 | 145.3 Ų | 145.3 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | -67 | 141.4 | 157.9 | -76.2 | -179.6 | -13.1 | 0 | 0 | 108.6 | ||||
| 1674 | P | 31.7 | Very low | 25.9 | Very low | 118 Ų | 118 | 147 Ų | 147 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | -155.6 | -161.5 | 90.9 | 44.7 | -23.2 | 0 | 0 | 0 | 113.1 | |||||
| 1675 | P | 34.6 | Very low | 25.9 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | -106.5 | 140.4 | -109.9 | 26.9 | -5.3 | 0 | 0 | 0 | 113.9 | |||||
| 1676 | L | 26.4 | Very low | 25.9 | Very low | 182 Ų | 182 | 152 Ų | 152 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | trans | -95.8 | 116.4 | -179.7 | -86.7 | 168.1 | 0 | 0 | 0 | 113.2 | ||||
| 1677 | N | 26.2 | Very low | 26.1 | Very low | 142 Ų | 142 | 156.7 Ų | 156.7 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | trans | -63.9 | 122.6 | -179.2 | -156 | -20.8 | 0 | 0 | 0 | 111.5 | N1679 | N1677-N1679 PolarHBondContact O-N 3.17Š| ||
| 1678 | A | 26.5 | Very low | 26 | Very low | 88 Ų | 88 | 158.2 Ų | 158.2 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -75.8 | 110.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1679 | N | 26.2 | Very low | 26.3 | Very low | 144 Ų | 144 | 156.6 Ų | 156.6 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | -174.4 | 104.1 | 157.6 | -93.5 | -46 | 0 | 0 | 0 | 110.1 | N1677 | N1677-N1679 PolarHBondContact O-N 3.17Š| ||
| 1680 | L | 26.3 | Very low | 26.5 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | 173.1 | 80.2 | 140.3 | -93.2 | 148.5 | 0 | 0 | 0 | 110 | ||||
| 1681 | S | 26 | Very low | 26.6 | Very low | 135 Ų | 135 | 155.2 Ų | 155.2 | 94% | 0.944 | 82% | 0.82 | S | S | * | * | trans | -134.3 | 90.1 | 155 | -66 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1682 | R | 23.6 | Very low | 26.8 | Very low | 218 Ų | 218 | 152.3 Ų | 152.3 | 82% | 0.823 | 82% | 0.817 | S | S | * | * | trans | -115.1 | 132.7 | 175.2 | -139.6 | -175.1 | -162.8 | -177.6 | 5.1 | 107 | ||||
| 1683 | N | 24.8 | Very low | 26.8 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | 78.2 | 110.5 | 179.6 | -57.5 | -39.8 | 0 | 0 | 0 | 113.6 | ||||
| 1684 | L | 25 | Very low | 26.9 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | cis | -129.1 | 109.3 | 44.3 | -72.9 | 150.4 | 0 | 0 | 0 | 111.5 | Y1686 | L1684-Y1686 PolarHBondContact O-N 3.11Š| ||
| 1685 | Q | 25.2 | Very low | 26.7 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -72.6 | 91.3 | 170.1 | -78.4 | 173.2 | -20.4 | 0 | 0 | 109.4 | R1687 | Q1685-R1687 PolarHBondContact O-N 3.47Š| ||
| 1686 | Y | 22.8 | Very low | 26.2 | Very low | 209 Ų | 209 | 154.7 Ų | 154.7 | 82% | 0.82 | 81% | 0.809 | S | S | * | * | trans | -67.9 | 117.6 | 146.5 | -94.1 | -87.9 | 0 | 0 | 0 | 106.9 | L1684 N1688 | L1684-Y1686 PolarHBondContact O-N 3.11Å; Y1686-N1688 PolarHBondContact O-N 3.48Å | ||
| 1687 | R | 25.7 | Very low | 26.2 | Very low | 245 Ų | 245 | 150.8 Ų | 150.8 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -59.7 | 103.6 | 178.8 | -91 | 178.7 | 162.7 | 169.8 | -5.6 | 109.7 | Q1685 | Q1685-R1687 PolarHBondContact O-N 3.47Š| ||
| 1688 | N | 26.3 | Very low | 26 | Very low | 167 Ų | 167 | 152.5 Ų | 152.5 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -72.7 | 118.1 | 161.9 | -73.4 | -23 | 0 | 0 | 0 | 108.6 | Y1686 | Y1686-N1688 PolarHBondContact O-N 3.48Š| ||
| 1689 | A | 29.3 | Very low | 26 | Very low | 88 Ų | 88 | 156.2 Ų | 156.2 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -100.2 | 122.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1690 | G | 29.6 | Very low | 26 | Very low | 61 Ų | 61 | 156.6 Ų | 156.6 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | trans | 78.1 | 88.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1691 | M | 25.7 | Very low | 26.1 | Very low | 172 Ų | 172 | 156 Ų | 156 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -69.7 | 131.7 | 157.6 | -61.4 | -149.7 | 69.3 | 0 | 0 | 109.4 | ||||
| 1692 | C | 26.2 | Very low | 26.2 | Very low | 113 Ų | 113 | 156.9 Ų | 156.9 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -100.6 | 119.9 | 157.5 | -72.2 | 0 | 0 | 0 | 0 | 106.7 | D1694 | C1692-D1694 PolarHBondContact O-N 2.9Š| ||
| 1693 | D | 28.9 | Very low | 26.7 | Very low | 137 Ų | 137 | 151.9 Ų | 151.9 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -69.2 | 106.5 | 177.8 | -70.4 | -47.7 | 0 | 0 | 0 | 110.2 | ||||
| 1694 | D | 28.1 | Very low | 27.3 | Very low | 137 Ų | 137 | 149.6 Ų | 149.6 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -113.2 | 81.1 | 163.2 | -79.6 | -36.1 | 0 | 0 | 0 | 108.9 | C1692 Y1696 | C1692-D1694 PolarHBondContact O-N 2.9Å; D1694-Y1696 VanDerWaalsContact C-N 3.32Å; D1694-Y1696 HydrophobicContact CB-CD2 4.42Å; D1694-Y1696 PolarHBondContact O-N 3.46Å | ||
| 1695 | N | 28.1 | Very low | 27.8 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | -69.6 | 86.3 | 163.2 | -86 | -31.6 | 0 | 0 | 0 | 109.3 | ||||
| 1696 | Y | 22.7 | Very low | 28.2 | Very low | 215 Ų | 215 | 145.3 Ų | 145.3 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -101.4 | 78.1 | 160.7 | -86.7 | -87.3 | 0 | 0 | 0 | 109.3 | D1694 | D1694-Y1696 VanDerWaalsContact C-N 3.32Å; D1694-Y1696 HydrophobicContact CB-CD2 4.42Å; D1694-Y1696 PolarHBondContact O-N 3.46Å | ||
| 1697 | S | 26.5 | Very low | 28.7 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | -91.2 | 103.2 | 162.6 | 62.4 | 0 | 0 | 0 | 0 | 109.1 | L1699 | S1697-L1699 PolarHBondContact O-N 3.28Š| ||
| 1698 | F | 22.6 | Very low | 29.4 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | trans | -36 | 113.7 | 158.1 | -136.5 | -105.6 | 0 | 0 | 0 | 111.4 | H1700 | F1698-H1700 AromaticContact CD1-CD2 3.79Å; F1698-H1700 AromaticContact CE1-CD2 3.82Å; F1698-H1700 AromaticContact CE1-NE2 3.64Å | ||
| 1699 | L | 27.3 | Very low | 29.9 | Very low | 166 Ų | 166 | 140 Ų | 140 | 87% | 0.869 | 73% | 0.731 | S | S | * | * | trans | -122.7 | 106.3 | 156.6 | -81.2 | 177.1 | 0 | 0 | 0 | 108.2 | S1697 | S1697-L1699 PolarHBondContact O-N 3.28Š| ||
| 1700 | H | 24.7 | Very low | 30.3 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | trans | -43.8 | 129 | 158.1 | -87.6 | -93.9 | 0 | 0 | 0 | 110.8 | F1698 | F1698-H1700 AromaticContact CD1-CD2 3.79Å; F1698-H1700 AromaticContact CE1-CD2 3.82Å; F1698-H1700 AromaticContact CE1-NE2 3.64Å | ||
| 1701 | N | 28.5 | Very low | 30.8 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | trans | -162 | 117.6 | 140 | -93.6 | -22.8 | 0 | 0 | 0 | 109.9 | ||||
| 1702 | E | 29.2 | Very low | 31.3 | Very low | 153 Ų | 153 | 149 Ų | 149 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | trans | 51.9 | 115.3 | 147 | -79.8 | -86 | 133.8 | 0 | 0 | 119.7 | S1704 | E1702-S1704 PolarHBondContact O-N 3.27Å; E1702-S1704 VanDerWaalsContact O-N 3.16Å | ||
| 1703 | P | 33.5 | Very low | 31.5 | Very low | 113 Ų | 113 | 153.3 Ų | 153.3 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 31.2 | -165.4 | 37.9 | -35.5 | 0 | 0 | 0 | 115.5 | ||
| 1704 | S | 36.9 | Very low | 31.7 | Very low | 87 Ų | 87 | 154.1 Ų | 154.1 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -2.1 | -177.6 | -36.4 | 0 | 0 | 0 | 0 | 114.3 | E1702 | E1702-S1704 PolarHBondContact O-N 3.27Å; E1702-S1704 VanDerWaalsContact O-N 3.16Å |
| 1705 | Q | 36.7 | Very low | 31.9 | Very low | 135 Ų | 135 | 155 Ų | 155 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -100.7 | -14.4 | 179.4 | -74.2 | -110.6 | 0.6 | 0 | 0 | 113.7 | E1707 R1708 R1709 | Q1705-E1707 VanDerWaalsContact C-N 3.31Å; Q1705-E1707 PolarHBondContact O-N 3.27Å; Q1705-R1708 PolarHBondContact O-N 3.32Å; Q1705-R1709 PolarHBondContact O-N 3.34Å |
| 1706 | L | 32.9 | Very low | 32.1 | Very low | 119 Ų | 119 | 155.2 Ų | 155.2 | 62% | 0.623 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -70.5 | -30.4 | -179.1 | -161.9 | 70.7 | 0 | 0 | 0 | 112 | R1708 R1709 L1710 | L1706-R1708 VanDerWaalsContact C-N 3.33Å; L1706-R1708 PolarHBondContact O-N 3.41Å; L1706-R1709 PolarHBondContact O-N 3.46Å; L1706-L1710 HydrophobicContact CG-CD1 4.39Å; L1706-L1710 PolarHBondContact O-N 3.22Å; L1706-L1710 VanDerWaalsContact O-N 3.08Å |
| 1707 | E | 34 | Very low | 32.6 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -70.3 | -29.4 | 175.9 | -142.6 | 174.4 | -165.8 | 0 | 0 | 112.3 | Q1705 | Q1705-E1707 VanDerWaalsContact C-N 3.31Å; Q1705-E1707 PolarHBondContact O-N 3.27Å |
| 1708 | R | 38.7 | Very low | 33 | Very low | 158 Ų | 158 | 154.9 Ų | 154.9 | 60% | 0.596 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -75.6 | -27.4 | 172.2 | -80.5 | -171.1 | -171.5 | -177.3 | 2 | 113.3 | Q1705 L1706 | Q1705-R1708 PolarHBondContact O-N 3.32Å; L1706-R1708 VanDerWaalsContact C-N 3.33Å; L1706-R1708 PolarHBondContact O-N 3.41Å |
| 1709 | R | 36.9 | Very low | 33.7 | Very low | 187 Ų | 187 | 153.4 Ų | 153.4 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -84.1 | -28 | 178.5 | -86.4 | -173.6 | 162.6 | 179 | -3.4 | 113.7 | Q1705 L1706 K1711 K1712 N1713 | Q1705-R1709 PolarHBondContact O-N 3.34Å; L1706-R1709 PolarHBondContact O-N 3.46Å; R1709-K1711 VanDerWaalsContact C-N 3.28Å; R1709-K1711 PolarHBondContact O-N 3.31Å; R1709-K1712 PolarHBondContact O-N 3.12Å; R1709-N1713 PolarHBondContact O-N 3.3Å |
| 1710 | L | 39.2 | Very low | 34.2 | Very low | 125 Ų | 125 | 152.5 Ų | 152.5 | 65% | 0.654 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -74.7 | -13.2 | 174.5 | -82.1 | 163.2 | 0 | 0 | 0 | 114.3 | L1706 | L1706-L1710 HydrophobicContact CG-CD1 4.39Å; L1706-L1710 PolarHBondContact O-N 3.22Å; L1706-L1710 VanDerWaalsContact O-N 3.08Å |
| 1711 | K | 39.5 | Very low | 34.9 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 85% | 0.852 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -1.5 | 167.2 | -91.7 | -176.7 | 176.5 | 175.5 | 0 | 114.3 | R1709 | R1709-K1711 VanDerWaalsContact C-N 3.28Å; R1709-K1711 PolarHBondContact O-N 3.31Å |
| 1712 | K | 35.8 | Very low | 35.4 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | -5.9 | -178.8 | -111.5 | -177.1 | -179.4 | 177.5 | 0 | 115.3 | R1709 | R1709-K1712 PolarHBondContact O-N 3.12Š|
| 1713 | N | 31.5 | Very low | 36 | Very low | 202 Ų | 202 | 152.4 Ų | 152.4 | 100% | 1.08 | 73% | 0.734 | S | S | * | * | trans | -104.7 | 0 | 158.7 | -75 | -19.4 | 0 | 0 | 0 | 108.2 | R1709 | R1709-N1713 PolarHBondContact O-N 3.3Š|
Retrieved 1,713 of 1,713 residues in 1395 ms
(Link to these results)