| 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 | S | 42.6 | Very low | 56.6 | Low | 172 Ų | 172 | 144.5 Ų | 144.5 | 100% | 1.203 | 81% | 0.813 | S | S | * | * | 0 | 73.5 | 0 | -35 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 2 | D | 43.2 | Very low | 56.4 | Low | 151 Ų | 151 | 138.4 Ų | 138.4 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | 61 | 132.4 | 61.2 | -134.8 | 3.4 | 0 | 0 | 0 | 113.3 | |||||
| 3 | T | 55.7 | Low | 56.1 | Low | 115 Ų | 115 | 138.2 Ų | 138.2 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | 68.9 | 114.7 | 168.6 | 24.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 4 | Y | 60.8 | Low | 55.6 | Low | 231 Ų | 231 | 136.1 Ų | 136.1 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | -162.2 | 117 | 103.9 | -104.6 | -80.6 | 0 | 0 | 0 | 110.6 | |||||
| 5 | D | 57.6 | Low | 55.2 | Low | 130 Ų | 130 | 132.9 Ų | 132.9 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | trans | -87.4 | 135.9 | 163.8 | -174.9 | 4.8 | 0 | 0 | 0 | 106.6 | ||||
| 6 | D | 63.3 | Low | 54.8 | Low | 139 Ų | 139 | 133.7 Ų | 133.7 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -141.9 | 95.3 | 162.5 | -161.9 | 15 | 0 | 0 | 0 | 109.8 | ||||
| 7 | S | 65.9 | Low | 54.5 | Low | 93 Ų | 93 | 135.8 Ų | 135.8 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | trans | -77.8 | 115.9 | 167.7 | -68.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 8 | Q | 61.3 | Low | 54.1 | Low | 180 Ų | 180 | 138.9 Ų | 138.9 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -122.4 | 100 | 159.2 | -63.2 | -137.8 | -71.3 | 0 | 0 | 110.2 | ||||
| 9 | S | 59.9 | Low | 53.9 | Low | 122 Ų | 122 | 137.3 Ų | 137.3 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -89.7 | 127.9 | 155.1 | -67.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 10 | D | 56.2 | Low | 53 | Low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -174.8 | 143.2 | 154.2 | -136.1 | -15.6 | 0 | 0 | 0 | 104.4 | ||||
| 11 | S | 55.9 | Low | 52.6 | Low | 101 Ų | 101 | 144.8 Ų | 144.8 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | cis | -165.4 | 138 | 19.1 | -135.8 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 12 | G | 54.4 | Low | 52.4 | Low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | 74.5 | 83.2 | 68.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 13 | V | 52.9 | Low | 52.8 | Low | 135 Ų | 135 | 143.6 Ų | 143.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -146.6 | 99.5 | 155.9 | 89.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 14 | S | 48.6 | Very low | 52.1 | Low | 109 Ų | 109 | 144.6 Ų | 144.6 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 50.5 | 98.4 | 141.8 | -48.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 15 | A | 50.3 | Low | 51.4 | Low | 88 Ų | 88 | 138.9 Ų | 138.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | -64.3 | 129.9 | 124.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 16 | D | 48.5 | Very low | 50.5 | Low | 146 Ų | 146 | 137.6 Ų | 137.6 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | -177.8 | 150.1 | 117.9 | -91.2 | -23.9 | 0 | 0 | 0 | 114.5 | |||||
| 17 | F | 49.7 | Very low | 49.6 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -41.9 | 146.8 | 177.4 | -73.5 | -106.1 | 0 | 0 | 0 | 116.4 | ||||
| 18 | H | 46.9 | Very low | 48.4 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | -148.4 | 116.3 | 127.7 | -73.5 | -41.4 | 0 | 0 | 0 | 111.2 | |||||
| 19 | S | 49.4 | Very low | 47.6 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -104.2 | 112.4 | 162.7 | -86 | 0 | 0 | 0 | 0 | 109 | ||||
| 20 | Y | 36.9 | Very low | 46.6 | Very low | 205 Ų | 205 | 135.6 Ų | 135.6 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 175.9 | 119.1 | 137.7 | 57.5 | -103.3 | 0 | 0 | 0 | 107.7 | ||||
| 21 | R | 45 | Very low | 45.8 | Very low | 227 Ų | 227 | 135.4 Ų | 135.4 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | 97.9 | 123.8 | 94.6 | 176.9 | -179.7 | -73.9 | -97.8 | -0.3 | 112.2 | |||||
| 22 | T | 38.6 | Very low | 45.2 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 145.6 | 89.6 | 145 | -58 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 23 | Q | 50.5 | Low | 44.8 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | 34.6 | 123.6 | 98.3 | -77.6 | -154.5 | -24.2 | 0 | 0 | 111.2 | |||||
| 24 | D | 41.3 | Very low | 45.1 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | 177.8 | 168.4 | 44.5 | 36.4 | 14.9 | 0 | 0 | 0 | 109.8 | ||||
| 25 | S | 45.2 | Very low | 44.6 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 77.9 | 126.2 | 160.5 | -51.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 26 | S | 40.1 | Very low | 44.4 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | cis | -167 | 129.8 | 12.7 | 38.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 27 | T | 43 | Very low | 44.4 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 60.9 | 101.1 | 131.9 | -47.3 | 0 | 0 | 0 | 0 | 119.6 | M29 | T27-M29 HydrophobicContact CG2-CE 4.07Š| ||
| 28 | S | 41.2 | Very low | 44.6 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | -162.4 | 104.8 | 107.8 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 29 | M | 44.8 | Very low | 45.5 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | 28.4 | 95.6 | 150.4 | -39.6 | -50.6 | -179 | 0 | 0 | 117.5 | T27 | T27-M29 HydrophobicContact CG2-CE 4.07Š| ||
| 30 | S | 38.8 | Very low | 47.1 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | 60.3 | 101 | 81 | -62.7 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 31 | T | 40.1 | Very low | 49.8 | Very low | 150 Ų | 150 | 121.4 Ų | 121.4 | 92% | 0.92 | 73% | 0.731 | S | S | * | * | -148.3 | 81.5 | 110.2 | 40.9 | 0 | 0 | 0 | 0 | 108 | |||||
| 32 | D | 43.1 | Very low | 52 | Low | 163 Ų | 163 | 115.9 Ų | 115.9 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | trans | -127.6 | 117.1 | 161 | -139.4 | 3.1 | 0 | 0 | 0 | 106.8 | ||||
| 33 | S | 46.6 | Very low | 54.6 | Low | 109 Ų | 109 | 114.8 Ų | 114.8 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | trans | -86.3 | 138.9 | -176.1 | -174.2 | 0 | 0 | 0 | 0 | 109 | G35 | S33-G35 PolarHBondContact O-N 3.49Š| ||
| 34 | P | 58.8 | Low | 56.7 | Low | 127 Ų | 127 | 111.3 Ų | 111.3 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | trans | -84.4 | 119.7 | -173 | 32 | -30.8 | 0 | 0 | 0 | 112.8 | ||||
| 35 | G | 38.9 | Very low | 59.3 | Low | 73 Ų | 73 | 110.4 Ų | 110.4 | 75% | 0.753 | 68% | 0.684 | S | S | * | * | trans | 87.2 | 154.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | S33 | S33-G35 PolarHBondContact O-N 3.49Š| ||
| 36 | P | 45.9 | Very low | 61.7 | Low | 103 Ų | 103 | 111 Ų | 111 | 67% | 0.669 | 67% | 0.674 | S | S | * | * | cis | -123.1 | 169.4 | 14 | 40.4 | -25.1 | 0 | 0 | 0 | 114.9 | S38 | P36-S38 PolarHBondContact O-N 3.41Š| ||
| 37 | V | 48.5 | Very low | 64.3 | Low | 129 Ų | 129 | 110.2 Ų | 110.2 | 78% | 0.782 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -12 | 108.6 | 156.2 | -75.7 | 0 | 0 | 0 | 0 | 115.9 | S39 | V37-S39 PolarHBondContact O-N 3.48Š|
| 38 | S | 54.3 | Low | 66.8 | Low | 119 Ų | 119 | 110.4 Ų | 110.4 | 83% | 0.832 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 30.4 | 60.8 | 154.5 | 58.2 | 0 | 0 | 0 | 0 | 117.2 | P36 | P36-S38 PolarHBondContact O-N 3.41Š|
| 39 | S | 64.6 | Low | 69.4 | Low | 94 Ų | 94 | 112.1 Ų | 112.1 | 66% | 0.657 | 64% | 0.639 | S | S | * | * | trans | -92.1 | 27.1 | 157.7 | 69.2 | 0 | 0 | 0 | 0 | 111.5 | V37 T41 | V37-S39 PolarHBondContact O-N 3.48Å; S39-T41 PolarHBondContact O-N 3.16Å | ||
| 40 | E | 83.5 | Confident | 71.9 | Confident | 58 Ų | 58 | 106.2 Ų | 106.2 | 27% | 0.271 | 62% | 0.615 | S | S | . | * | trans | -60 | 110.2 | 176.3 | -175.4 | -176.5 | -138.3 | 0 | 0 | 108.3 | E44 R45 R48 | E40-E44 HydrophobicContact CG-CB 3.92Å; E40-R45 VanDerWaalsContact CD-CA 3.45Å; E40-R45 HydrophobicContact CG-CB 3.93Å; E40-R45 VanDerWaalsContact OE1-CA 3.24Å; E40-R45 WeakPolarHBondContact OE1-CA 3.3Å; E40-R45 WeakPolarHBondContact OE2-CG 3.15Å; E40-R45 IonicContact OE2-NE 3.47Å; E40-R45 PolarHBondContact OE2-NE 3.04Å; E40-R48 IonicContact OE1-CZ 2.74Å; E40-R48 IonicContact OE1-NE 2.81Å; E40-R48 PolarHBondContact OE1-NE 3.12Å; E40-R48 IonicContact OE1-NH2 3.22Å; E40-R48 PolarHBondContact OE1-NH2 3.37Å; E40-R48 IonicContact OE2-NH2 3.36Å; E40-R48 PolarHBondContact OE2-NH2 3.07Å | ||
| 41 | T | 92.4 | Very high | 74.5 | Confident | 56 Ų | 56 | 105.3 Ų | 105.3 | 34% | 0.344 | 60% | 0.6 | S | S | . | * | trans | -62.9 | 155.6 | 176.7 | 63.4 | 0 | 0 | 0 | 0 | 109.6 | S39 I43 E44 R45 | S39-T41 PolarHBondContact O-N 3.16Å; T41-I43 PolarHBondContact O-N 2.77Å; T41-I43 VanDerWaalsContact O-N 3.09Å; T41-I43 WeakPolarHBondContact OG1-CG2 3.48Å; T41-E44 VanDerWaalsContact CB-OE2 3.25Å; T41-E44 WeakPolarHBondContact CB-OE2 3.42Å; T41-E44 VanDerWaalsContact CG2-OE2 3.24Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.4Å; T41-E44 PolarHBondContact N-OE2 3.3Å; T41-E44 PolarHBondContact O-N 2.96Å; T41-E44 VanDerWaalsContact O-N 3.09Å; T41-E44 WeakPolarHBondContact OG1-CG 3.5Å; T41-E44 PolarHBondContact OG1-N 3.29Å; T41-E44 PolarHBondContact OG1-OE2 2.81Å; T41-R45 PolarHBondContact O-N 3.35Å | ||
| 42 | P | 92.8 | Very high | 77.1 | Confident | 112 Ų | 112 | 103.2 Ų | 103.2 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -51.5 | -35 | 175.6 | -28.8 | 36 | 0 | 0 | 0 | 113.3 | E46 | P42-E46 PolarHBondContact O-N 2.74Å |
| 43 | I | 93.1 | Very high | 79.7 | Confident | 103 Ų | 103 | 102.6 Ų | 102.6 | 53% | 0.528 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72.8 | -41.1 | 178.5 | -174.1 | 62.4 | 0 | 0 | 0 | 112.4 | T41 R45 E46 I47 | T41-I43 PolarHBondContact O-N 2.77Å; T41-I43 VanDerWaalsContact O-N 3.09Å; T41-I43 WeakPolarHBondContact OG1-CG2 3.48Å; I43-R45 VanDerWaalsContact C-N 3.28Å; I43-R45 PolarHBondContact O-N 3.17Å; I43-E46 PolarHBondContact O-N 3.43Å; I43-I47 HydrophobicContact CG1-CD1 4.09Å; I43-I47 VanDerWaalsContact O-CG1 3.31Å; I43-I47 WeakPolarHBondContact O-CG1 2.96Å; I43-I47 PolarHBondContact O-N 2.91Å |
| 44 | E | 94.5 | Very high | 82 | Confident | 99 Ų | 99 | 101.1 Ų | 101.1 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 175.6 | -78.8 | 146.6 | 172 | 0 | 0 | 112.1 | E40 T41 E46 I47 R48 | E40-E44 HydrophobicContact CG-CB 3.92Å; T41-E44 VanDerWaalsContact CB-OE2 3.25Å; T41-E44 WeakPolarHBondContact CB-OE2 3.42Å; T41-E44 VanDerWaalsContact CG2-OE2 3.24Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.4Å; T41-E44 PolarHBondContact N-OE2 3.3Å; T41-E44 PolarHBondContact O-N 2.96Å; T41-E44 VanDerWaalsContact O-N 3.09Å; T41-E44 WeakPolarHBondContact OG1-CG 3.5Å; T41-E44 PolarHBondContact OG1-N 3.29Å; T41-E44 PolarHBondContact OG1-OE2 2.81Å; E44-E46 VanDerWaalsContact C-N 3.34Å; E44-E46 PolarHBondContact O-N 2.92Å; E44-I47 PolarHBondContact O-N 3.46Å; E44-R48 WeakPolarHBondContact O-CB 3.26Å; E44-R48 PolarHBondContact O-N 3.39Å |
| 45 | R | 94.7 | Very high | 83.7 | Confident | 117 Ų | 117 | 98.8 Ų | 98.8 | 44% | 0.442 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 174.5 | -168 | 178.3 | -56.4 | 168.9 | 14 | 112.6 | E40 T41 I43 R49 | E40-R45 VanDerWaalsContact CD-CA 3.45Å; E40-R45 HydrophobicContact CG-CB 3.93Å; E40-R45 VanDerWaalsContact OE1-CA 3.24Å; E40-R45 WeakPolarHBondContact OE1-CA 3.3Å; E40-R45 WeakPolarHBondContact OE2-CG 3.15Å; E40-R45 IonicContact OE2-NE 3.47Å; E40-R45 PolarHBondContact OE2-NE 3.04Å; T41-R45 PolarHBondContact O-N 3.35Å; I43-R45 VanDerWaalsContact C-N 3.28Å; I43-R45 PolarHBondContact O-N 3.17Å; R45-R49 WeakPolarHBondContact O-CB 3.35Å; R45-R49 VanDerWaalsContact O-CG 3.31Å; R45-R49 WeakPolarHBondContact O-CG 3.42Å; R45-R49 PolarHBondContact O-N 2.88Å; R45-R49 VanDerWaalsContact O-N 3.11Å |
| 46 | E | 95.8 | Very high | 86.3 | Confident | 123 Ų | 123 | 98.3 Ų | 98.3 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.9 | -42.9 | 176.7 | -177.5 | 159.4 | -150.2 | 0 | 0 | 111.5 | P42 I43 E44 R48 R49 A50 | P42-E46 PolarHBondContact O-N 2.74Å; I43-E46 PolarHBondContact O-N 3.43Å; E44-E46 VanDerWaalsContact C-N 3.34Å; E44-E46 PolarHBondContact O-N 2.92Å; E46-R48 PolarHBondContact O-N 3.14Å; E46-R49 PolarHBondContact O-N 2.97Å; E46-A50 VanDerWaalsContact O-CB 3.3Å; E46-A50 WeakPolarHBondContact O-CB 3.35Å; E46-A50 PolarHBondContact O-N 3.39Å |
| 47 | I | 95.5 | Very high | 88.7 | Confident | 86 Ų | 86 | 97 Ų | 97 | 44% | 0.441 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.8 | -48.9 | 175.9 | -68.6 | 166.4 | 0 | 0 | 0 | 110.4 | I43 E44 R49 A50 I51 | I43-I47 HydrophobicContact CG1-CD1 4.09Å; I43-I47 VanDerWaalsContact O-CG1 3.31Å; I43-I47 WeakPolarHBondContact O-CG1 2.96Å; I43-I47 PolarHBondContact O-N 2.91Å; E44-I47 PolarHBondContact O-N 3.46Å; I47-R49 PolarHBondContact O-N 2.78Å; I47-A50 PolarHBondContact O-N 2.94Å; I47-I51 HydrophobicContact CG2-CD1 3.7Å; I47-I51 HydrophobicContact CG2-CG1 4.41Å; I47-I51 VanDerWaalsContact O-CG1 3.28Å; I47-I51 WeakPolarHBondContact O-CG1 3.5Å; I47-I51 PolarHBondContact O-N 3.24Å |
| 48 | R | 95.9 | Very high | 90.8 | Very high | 119 Ų | 119 | 93.8 Ų | 93.8 | 45% | 0.449 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 178.1 | -175 | 177.8 | 58 | 87.5 | -4.6 | 112 | E40 E44 E46 A50 I51 E52 | E40-R48 IonicContact OE1-CZ 2.74Å; E40-R48 IonicContact OE1-NE 2.81Å; E40-R48 PolarHBondContact OE1-NE 3.12Å; E40-R48 IonicContact OE1-NH2 3.22Å; E40-R48 PolarHBondContact OE1-NH2 3.37Å; E40-R48 IonicContact OE2-NH2 3.36Å; E40-R48 PolarHBondContact OE2-NH2 3.07Å; E44-R48 WeakPolarHBondContact O-CB 3.26Å; E44-R48 PolarHBondContact O-N 3.39Å; E46-R48 PolarHBondContact O-N 3.14Å; R48-A50 VanDerWaalsContact C-N 3.33Å; R48-A50 PolarHBondContact O-N 3.37Å; R48-I51 PolarHBondContact O-N 3Å; R48-E52 WeakPolarHBondContact O-CB 3.43Å; R48-E52 PolarHBondContact O-N 3.38Å |
| 49 | R | 95.8 | Very high | 92.7 | Very high | 147 Ų | 147 | 95.3 Ų | 95.3 | 56% | 0.555 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.3 | -35.9 | 176.8 | -74.1 | 177.4 | -178.5 | -101.1 | 2.8 | 112.6 | R45 E46 I47 R53 | R45-R49 WeakPolarHBondContact O-CB 3.35Å; R45-R49 VanDerWaalsContact O-CG 3.31Å; R45-R49 WeakPolarHBondContact O-CG 3.42Å; R45-R49 PolarHBondContact O-N 2.88Å; R45-R49 VanDerWaalsContact O-N 3.11Å; E46-R49 PolarHBondContact O-N 2.97Å; I47-R49 PolarHBondContact O-N 2.78Å; R49-R53 WeakPolarHBondContact O-CB 3.37Å; R49-R53 WeakPolarHBondContact O-CG 3.32Å; R49-R53 PolarHBondContact O-N 3.35Å |
| 50 | A | 95.6 | Very high | 94.1 | Very high | 34 Ų | 34 | 95.2 Ų | 95.2 | 28% | 0.281 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E46 I47 R48 R53 E54 | E46-A50 VanDerWaalsContact O-CB 3.3Å; E46-A50 WeakPolarHBondContact O-CB 3.35Å; E46-A50 PolarHBondContact O-N 3.39Å; I47-A50 PolarHBondContact O-N 2.94Å; R48-A50 VanDerWaalsContact C-N 3.33Å; R48-A50 PolarHBondContact O-N 3.37Å; A50-R53 PolarHBondContact O-N 2.87Å; A50-E54 WeakPolarHBondContact O-CB 3.38Å; A50-E54 PolarHBondContact O-N 3.03Å |
| 51 | I | 94.2 | Very high | 94.6 | Very high | 90 Ų | 90 | 100.6 Ų | 100.6 | 46% | 0.462 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 174.6 | -68.4 | 167 | 0 | 0 | 0 | 110.2 | I47 R48 E54 Q55 | I47-I51 HydrophobicContact CG2-CD1 3.7Å; I47-I51 HydrophobicContact CG2-CG1 4.41Å; I47-I51 VanDerWaalsContact O-CG1 3.28Å; I47-I51 WeakPolarHBondContact O-CG1 3.5Å; I47-I51 PolarHBondContact O-N 3.24Å; R48-I51 PolarHBondContact O-N 3Å; I51-E54 PolarHBondContact O-N 3.33Å; I51-Q55 HydrophobicContact CG2-CG 4.36Å; I51-Q55 WeakPolarHBondContact O-CB 3.43Å; I51-Q55 VanDerWaalsContact O-CG 3.27Å; I51-Q55 WeakPolarHBondContact O-CG 3.37Å; I51-Q55 PolarHBondContact O-N 2.98Å |
| 52 | E | 94.8 | Very high | 94.5 | Very high | 107 Ų | 107 | 101.2 Ų | 101.2 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 177.5 | -175.4 | -177.8 | -175.1 | 0 | 0 | 112.2 | R48 E54 Q55 S56 | R48-E52 WeakPolarHBondContact O-CB 3.43Å; R48-E52 PolarHBondContact O-N 3.38Å; E52-E54 PolarHBondContact O-N 2.92Å; E52-Q55 PolarHBondContact O-N 3.33Å; E52-S56 WeakPolarHBondContact O-CB 3.5Å; E52-S56 PolarHBondContact O-N 2.92Å |
| 53 | R | 96.7 | Very high | 94.2 | Very high | 150 Ų | 150 | 100.3 Ų | 100.3 | 57% | 0.566 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59 | -45.7 | 175.2 | -81.4 | -171.3 | -71.3 | 109.3 | -7.5 | 111.9 | R49 A50 S56 L57 | R49-R53 WeakPolarHBondContact O-CB 3.37Å; R49-R53 WeakPolarHBondContact O-CG 3.32Å; R49-R53 PolarHBondContact O-N 3.35Å; A50-R53 PolarHBondContact O-N 2.87Å; R53-S56 PolarHBondContact O-N 3.26Å; R53-L57 WeakPolarHBondContact O-CG 3.46Å; R53-L57 PolarHBondContact O-N 2.88Å |
| 54 | E | 95.3 | Very high | 93.7 | Very high | 77 Ų | 77 | 100.7 Ų | 100.7 | 36% | 0.36 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 178.8 | 177.1 | 60.1 | -166.5 | 0 | 0 | 111.6 | A50 I51 E52 S56 L57 R58 | A50-E54 WeakPolarHBondContact O-CB 3.38Å; A50-E54 PolarHBondContact O-N 3.03Å; I51-E54 PolarHBondContact O-N 3.33Å; E52-E54 PolarHBondContact O-N 2.92Å; E54-S56 VanDerWaalsContact C-N 3.33Å; E54-S56 PolarHBondContact O-N 2.88Å; E54-L57 PolarHBondContact O-N 3.46Å; E54-R58 WeakPolarHBondContact O-CG 3.3Å; E54-R58 PolarHBondContact O-N 3.14Å; E54-R58 IonicContact OE1-CZ 3.79Å; E54-R58 VanDerWaalsContact OE1-CZ 3.22Å; E54-R58 IonicContact OE1-NE 3.13Å; E54-R58 PolarHBondContact OE1-NE 3.1Å; E54-R58 IonicContact OE1-NH2 2.89Å; E54-R58 PolarHBondContact OE1-NH2 2.88Å |
| 55 | Q | 94.3 | Very high | 93.1 | Very high | 79 Ų | 79 | 99.7 Ų | 99.7 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 174.9 | -73.1 | 176.6 | 2.5 | 0 | 0 | 111.8 | I51 E52 R58 R59 | I51-Q55 HydrophobicContact CG2-CG 4.36Å; I51-Q55 WeakPolarHBondContact O-CB 3.43Å; I51-Q55 VanDerWaalsContact O-CG 3.27Å; I51-Q55 WeakPolarHBondContact O-CG 3.37Å; I51-Q55 PolarHBondContact O-N 2.98Å; E52-Q55 PolarHBondContact O-N 3.33Å; Q55-R58 PolarHBondContact O-N 3.33Å; Q55-R59 WeakPolarHBondContact O-CG 3.49Å; Q55-R59 PolarHBondContact O-N 2.8Å |
| 56 | S | 95.2 | Very high | 91.9 | Very high | 62 Ų | 62 | 101.4 Ų | 101.4 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 175.9 | -167.8 | 0 | 0 | 0 | 0 | 112.2 | E52 R53 E54 R58 R59 S60 | E52-S56 WeakPolarHBondContact O-CB 3.5Å; E52-S56 PolarHBondContact O-N 2.92Å; R53-S56 PolarHBondContact O-N 3.26Å; E54-S56 VanDerWaalsContact C-N 3.33Å; E54-S56 PolarHBondContact O-N 2.88Å; S56-R58 VanDerWaalsContact C-N 3.35Å; S56-R59 PolarHBondContact O-N 3.49Å; S56-S60 PolarHBondContact O-N 3.24Å |
| 57 | L | 95.6 | Very high | 90.2 | Very high | 77 Ų | 77 | 104.6 Ų | 104.6 | 40% | 0.403 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 175 | -76.3 | 170.3 | 0 | 0 | 0 | 111.6 | R53 E54 S60 R61 | R53-L57 WeakPolarHBondContact O-CG 3.46Å; R53-L57 PolarHBondContact O-N 2.88Å; E54-L57 PolarHBondContact O-N 3.46Å; L57-S60 WeakPolarHBondContact CA-OG 3.32Å; L57-S60 PolarHBondContact O-N 3.46Å; L57-S60 PolarHBondContact O-OG 3.24Å; L57-R61 WeakPolarHBondContact O-CB 3.47Å; L57-R61 VanDerWaalsContact O-CG 3.31Å; L57-R61 WeakPolarHBondContact O-CG 3.22Å; L57-R61 PolarHBondContact O-N 2.87Å |
| 58 | R | 93.4 | Very high | 88.5 | Confident | 61 Ų | 61 | 108 Ų | 108 | 23% | 0.23 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 176.4 | -73.3 | -178.4 | -171.2 | 170.5 | 1.8 | 112.1 | E54 Q55 S56 S60 R61 G62 L63 | E54-R58 WeakPolarHBondContact O-CG 3.3Å; E54-R58 PolarHBondContact O-N 3.14Å; E54-R58 IonicContact OE1-CZ 3.79Å; E54-R58 VanDerWaalsContact OE1-CZ 3.22Å; E54-R58 IonicContact OE1-NE 3.13Å; E54-R58 PolarHBondContact OE1-NE 3.1Å; E54-R58 IonicContact OE1-NH2 2.89Å; E54-R58 PolarHBondContact OE1-NH2 2.88Å; Q55-R58 PolarHBondContact O-N 3.33Å; S56-R58 VanDerWaalsContact C-N 3.35Å; R58-S60 VanDerWaalsContact C-N 3.35Å; R58-S60 PolarHBondContact O-N 3Å; R58-R61 CarbonylContact O-C 3.59Å; R58-R61 PolarHBondContact O-N 3.43Å; R58-R61 VanDerWaalsContact O-N 3.1Å; R58-G62 PolarHBondContact O-N 2.96Å; R58-G62 VanDerWaalsContact O-N 3.11Å; R58-L63 HydrophobicContact CB-CB 4.17Å; R58-L63 HydrophobicContact CG-CB 4.4Å; R58-L63 PolarHBondContact O-N 3.21Å |
| 59 | R | 93.4 | Very high | 86.6 | Confident | 150 Ų | 150 | 105.8 Ų | 105.8 | 57% | 0.566 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.4 | -45.7 | 173.7 | -71.9 | -171.4 | -65.3 | -137.1 | -0.6 | 112 | Q55 S56 R61 G62 | Q55-R59 WeakPolarHBondContact O-CG 3.49Å; Q55-R59 PolarHBondContact O-N 2.8Å; S56-R59 PolarHBondContact O-N 3.49Å; R59-R61 PolarHBondContact O-N 2.9Å; R59-G62 PolarHBondContact O-N 3.36Å; R59-G62 VanDerWaalsContact O-N 3.07Å |
| 60 | S | 92.8 | Very high | 84.8 | Confident | 93 Ų | 93 | 103.5 Ų | 103.5 | 65% | 0.65 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.9 | -25.6 | 178.4 | 75.5 | 0 | 0 | 0 | 0 | 113.6 | S56 L57 R58 | S56-S60 PolarHBondContact O-N 3.24Å; L57-S60 WeakPolarHBondContact CA-OG 3.32Å; L57-S60 PolarHBondContact O-N 3.46Å; L57-S60 PolarHBondContact O-OG 3.24Å; R58-S60 VanDerWaalsContact C-N 3.35Å; R58-S60 PolarHBondContact O-N 3Å |
| 61 | R | 94.4 | Very high | 82.9 | Confident | 171 Ų | 171 | 108.3 Ų | 108.3 | 65% | 0.645 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 1.3 | 177.6 | -68.4 | 175.7 | 176.8 | 173.9 | -0.3 | 113.1 | L57 R58 R59 L63 | L57-R61 WeakPolarHBondContact O-CB 3.47Å; L57-R61 VanDerWaalsContact O-CG 3.31Å; L57-R61 WeakPolarHBondContact O-CG 3.22Å; L57-R61 PolarHBondContact O-N 2.87Å; R58-R61 CarbonylContact O-C 3.59Å; R58-R61 PolarHBondContact O-N 3.43Å; R58-R61 VanDerWaalsContact O-N 3.1Å; R59-R61 PolarHBondContact O-N 2.9Å; R61-L63 HydrophobicContact CB-CD1 4.1Å; R61-L63 HydrophobicContact CB-CG 4.02Å; R61-L63 PolarHBondContact O-N 3.24Å |
| 62 | G | 91.9 | Very high | 81.7 | Confident | 68 Ų | 68 | 114 Ų | 114 | 70% | 0.701 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.5 | 19.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | R58 R59 | R58-G62 PolarHBondContact O-N 2.96Å; R58-G62 VanDerWaalsContact O-N 3.11Å; R59-G62 PolarHBondContact O-N 3.36Å; R59-G62 VanDerWaalsContact O-N 3.07Å |
| 63 | L | 86.2 | Confident | 80.5 | Confident | 93 Ų | 93 | 115.7 Ų | 115.7 | 49% | 0.487 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -86.4 | 137.2 | 179.2 | -64.3 | 174.7 | 0 | 0 | 0 | 110.1 | R58 R61 | R58-L63 HydrophobicContact CB-CB 4.17Å; R58-L63 HydrophobicContact CG-CB 4.4Å; R58-L63 PolarHBondContact O-N 3.21Å; R61-L63 HydrophobicContact CB-CD1 4.1Å; R61-L63 HydrophobicContact CB-CG 4.02Å; R61-L63 PolarHBondContact O-N 3.24Å |
| 64 | P | 82.2 | Confident | 78.7 | Confident | 111 Ų | 111 | 117.1 Ų | 117.1 | 72% | 0.721 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 140.8 | 177.5 | 27 | -33.6 | 0 | 0 | 0 | 110.9 | ||
| 65 | N | 81.5 | Confident | 77.2 | Confident | 78 Ų | 78 | 119.2 Ų | 119.2 | 42% | 0.417 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -65 | 135.5 | 172.7 | -73.6 | -26.7 | 0 | 0 | 0 | 109.3 | R67 | N65-R67 PolarHBondContact O-N 3.17Š|
| 66 | Q | 68.8 | Low | 75.7 | Confident | 153 Ų | 153 | 120.4 Ų | 120.4 | 72% | 0.715 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 124.3 | 174.8 | -70.1 | -160.4 | 13.7 | 0 | 0 | 108.9 | ||
| 67 | R | 61.3 | Low | 73.9 | Confident | 191 Ų | 191 | 122.9 Ų | 122.9 | 72% | 0.721 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -64 | 137.7 | 172.6 | -66.9 | -176.8 | 176.4 | 176.4 | -2.8 | 108.1 | N65 S69 E71 | N65-R67 PolarHBondContact O-N 3.17Å; R67-S69 PolarHBondContact O-N 3.29Å; R67-S69 VanDerWaalsContact O-N 3.14Å; R67-E71 IonicContact NH1-OE2 3.58Å |
| 68 | T | 59.7 | Low | 72 | Confident | 156 Ų | 156 | 130.3 Ų | 130.3 | 96% | 0.957 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -72 | 4.3 | 178.4 | 42.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 69 | S | 55.3 | Low | 70.5 | Confident | 73 Ų | 73 | 136.8 Ų | 136.8 | 51% | 0.51 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -112.8 | 131.4 | 173 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | R67 E71 | R67-S69 PolarHBondContact O-N 3.29Å; R67-S69 VanDerWaalsContact O-N 3.14Å; S69-E71 PolarHBondContact O-N 2.95Å |
| 70 | P | 57.9 | Low | 68.6 | Low | 99 Ų | 99 | 135.2 Ų | 135.2 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | trans | -76.1 | 91.7 | 172 | 31.9 | -31.2 | 0 | 0 | 0 | 109.2 | Y72 | P70-Y72 HydrophobicContact CB-CD2 4.2Å; P70-Y72 HydrophobicContact CB-CE2 3.68Å; P70-Y72 HydrophobicContact CG-CE2 4.09Å; P70-Y72 PolarHBondContact O-N 3.15Å | ||
| 71 | E | 56.9 | Low | 66.4 | Low | 136 Ų | 136 | 138.2 Ų | 138.2 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | trans | -78.3 | 93.7 | 165.4 | -170.7 | 175.4 | -179.8 | 0 | 0 | 107.5 | R67 S69 I73 | R67-E71 IonicContact NH1-OE2 3.58Å; S69-E71 PolarHBondContact O-N 2.95Å; E71-I73 PolarHBondContact O-N 2.84Å | ||
| 72 | Y | 68.8 | Low | 64.6 | Low | 209 Ų | 209 | 135 Ų | 135 | 82% | 0.82 | 72% | 0.723 | S | S | * | * | trans | -72.3 | 110.8 | 171.5 | -66.4 | -83.6 | 0 | 0 | 0 | 108.4 | P70 | P70-Y72 HydrophobicContact CB-CD2 4.2Å; P70-Y72 HydrophobicContact CB-CE2 3.68Å; P70-Y72 HydrophobicContact CG-CE2 4.09Å; P70-Y72 PolarHBondContact O-N 3.15Å | ||
| 73 | I | 68.4 | Low | 62.3 | Low | 142 Ų | 142 | 139.5 Ų | 139.5 | 73% | 0.728 | 73% | 0.728 | S | S | * | * | trans | -91.1 | 115 | 164.6 | -24 | 174.5 | 0 | 0 | 0 | 106.3 | E71 V75 | E71-I73 PolarHBondContact O-N 2.84Å; I73-V75 PolarHBondContact O-N 3.46Å | ||
| 74 | E | 60 | Low | 60.2 | Low | 180 Ų | 180 | 139.9 Ų | 139.9 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | -64.3 | 105.4 | 171.4 | -173.1 | 177.1 | -175.8 | 0 | 0 | 107.8 | P76 | E74-P76 WeakPolarHBondContact O-CD 3.41Š| ||
| 75 | V | 64.4 | Low | 58.5 | Low | 121 Ų | 121 | 140.3 Ų | 140.3 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | -79.6 | 111.8 | 172.2 | -177.7 | 0 | 0 | 0 | 0 | 106.4 | I73 S77 | I73-V75 PolarHBondContact O-N 3.46Å; V75-S77 PolarHBondContact O-N 3.33Å | ||
| 76 | P | 61.7 | Low | 56.6 | Low | 104 Ų | 104 | 141.9 Ų | 141.9 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | trans | -61 | 116.7 | 177.1 | -21 | 34.5 | 0 | 0 | 0 | 108.2 | E74 R78 | E74-P76 WeakPolarHBondContact O-CD 3.41Å; P76-R78 VanDerWaalsContact C-N 3.26Å; P76-R78 PolarHBondContact O-N 3.27Å | ||
| 77 | S | 56.5 | Low | 55.5 | Low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -66.8 | 91.6 | 173.2 | 65.3 | 0 | 0 | 0 | 0 | 107.7 | V75 K79 | V75-S77 PolarHBondContact O-N 3.33Å; S77-K79 PolarHBondContact O-N 3.08Å | ||
| 78 | R | 57 | Low | 54.9 | Low | 234 Ų | 234 | 140.9 Ų | 140.9 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -59 | 117.2 | 169.8 | -74.2 | -165.8 | -80.5 | -126.3 | 0.5 | 106.9 | P76 S80 | P76-R78 VanDerWaalsContact C-N 3.26Å; P76-R78 PolarHBondContact O-N 3.27Å; R78-S80 PolarHBondContact O-N 2.81Å; R78-S80 VanDerWaalsContact O-N 3.15Å | ||
| 79 | K | 60.8 | Low | 54 | Low | 197 Ų | 197 | 144.3 Ų | 144.3 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | trans | -45.5 | 122.8 | 172.4 | -61.9 | 173.4 | -175 | 176.9 | 0 | 107.4 | S77 L81 | S77-K79 PolarHBondContact O-N 3.08Å; K79-L81 PolarHBondContact O-N 3.28Å | ||
| 80 | S | 54.9 | Low | 54.1 | Low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | -46.4 | 96.6 | -174.1 | 164.5 | 0 | 0 | 0 | 0 | 111.8 | R78 S82 | R78-S80 PolarHBondContact O-N 2.81Å; R78-S80 VanDerWaalsContact O-N 3.15Å; S80-S82 PolarHBondContact O-N 3.06Å | ||
| 81 | L | 45.8 | Very low | 54.2 | Low | 156 Ų | 156 | 144.3 Ų | 144.3 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | trans | -79.2 | 103.3 | 158.7 | -69.7 | 178.4 | 0 | 0 | 0 | 106.6 | K79 M83 | K79-L81 PolarHBondContact O-N 3.28Å; L81-M83 PolarHBondContact O-N 2.96Å; L81-M83 VanDerWaalsContact O-N 3.1Å | ||
| 82 | S | 56.4 | Low | 54.6 | Low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | -7.2 | 101.4 | 154.5 | 170.4 | 0 | 0 | 0 | 0 | 113.1 | S80 | S80-S82 PolarHBondContact O-N 3.06Š| ||
| 83 | M | 42.8 | Very low | 54.7 | Low | 164 Ų | 164 | 139.1 Ų | 139.1 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | trans | -126.9 | 115 | 166.4 | -76.6 | -74.2 | 105.7 | 0 | 0 | 108.3 | L81 | L81-M83 PolarHBondContact O-N 2.96Å; L81-M83 VanDerWaalsContact O-N 3.1Å | ||
| 84 | S | 42.1 | Very low | 55.4 | Low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | trans | 33.3 | 113 | 158.9 | 50.7 | 0 | 0 | 0 | 0 | 118.8 | T86 | S84-T86 PolarHBondContact O-N 3.31Š| ||
| 85 | S | 46.8 | Very low | 56.7 | Low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | trans | -51.1 | 100.6 | 158.9 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 86 | T | 41.9 | Very low | 57.8 | Low | 111 Ų | 111 | 136.4 Ų | 136.4 | 68% | 0.681 | 71% | 0.706 | S | S | * | * | trans | -69.1 | 138.2 | 145.9 | 56.6 | 0 | 0 | 0 | 0 | 106.9 | S84 K88 | S84-T86 PolarHBondContact O-N 3.31Å; T86-K88 PolarHBondContact O-N 3.44Å | ||
| 87 | P | 45.4 | Very low | 59.1 | Low | 120 Ų | 120 | 138.5 Ų | 138.5 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | trans | -63.9 | 108.2 | 176.7 | 25.7 | -29.6 | 0 | 0 | 0 | 106.7 | W89 | P87-W89 PolarHBondContact O-N 3.03Š| ||
| 88 | K | 49.3 | Very low | 60.8 | Low | 203 Ų | 203 | 135.7 Ų | 135.7 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | trans | -57.2 | 90.1 | 164.6 | -75.9 | 174.3 | 177.6 | 166.4 | 0 | 106.2 | T86 S90 | T86-K88 PolarHBondContact O-N 3.44Å; K88-S90 PolarHBondContact O-N 3.18Å | ||
| 89 | W | 41.3 | Very low | 62.6 | Low | 228 Ų | 228 | 125.7 Ų | 125.7 | 86% | 0.864 | 66% | 0.658 | S | S | * | * | trans | -64.4 | 90 | 175.5 | -178.2 | -96 | 0 | 0 | 0 | 107.9 | P87 Q91 | P87-W89 PolarHBondContact O-N 3.03Å; W89-Q91 PolarHBondContact O-N 2.78Å; W89-Q91 VanDerWaalsContact O-N 3.16Å | ||
| 90 | S | 57.8 | Low | 64.3 | Low | 26 Ų | 26 | 124.1 Ų | 124.1 | 18% | 0.182 | 65% | 0.652 | C | S | . | * | trans | 48.6 | 36.9 | 153.4 | 76.5 | 0 | 0 | 0 | 0 | 121.3 | K88 N92 K93 D94 | K88-S90 PolarHBondContact O-N 3.18Å; S90-N92 PolarHBondContact O-N 3.35Å; S90-N92 VanDerWaalsContact O-N 3.13Å; S90-K93 PolarHBondContact O-N 3.41Å; S90-D94 PolarHBondContact O-N 3.45Å | ||
| 91 | Q | 60.3 | Low | 66.3 | Low | 146 Ų | 146 | 125.3 Ų | 125.3 | 68% | 0.682 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -53.1 | -30.5 | 161.9 | -74.2 | -72.5 | -60.4 | 0 | 0 | 112.7 | W89 R95 | W89-Q91 PolarHBondContact O-N 2.78Å; W89-Q91 VanDerWaalsContact O-N 3.16Å; Q91-R95 PolarHBondContact O-N 3.49Å; Q91-R95 VanDerWaalsContact O-N 3.16Å |
| 92 | N | 63.6 | Low | 68.7 | Low | 93 Ų | 93 | 122.6 Ų | 122.6 | 50% | 0.497 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.5 | -37.6 | 176.3 | -70.1 | -24.6 | 0 | 0 | 0 | 112.9 | S90 R95 E96 | S90-N92 PolarHBondContact O-N 3.35Å; S90-N92 VanDerWaalsContact O-N 3.13Å; N92-R95 PolarHBondContact O-N 3.01Å; N92-R95 PolarHBondContact OD1-NH1 3.41Å; N92-R95 PolarHBondContact OD1-NH2 2.94Å; N92-E96 VanDerWaalsContact O-CG 3.24Å; N92-E96 WeakPolarHBondContact O-CG 3.45Å; N92-E96 PolarHBondContact O-N 2.93Å |
| 93 | K | 72.4 | Confident | 70.7 | Confident | 143 Ų | 143 | 122.2 Ų | 122.2 | 62% | 0.622 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.1 | -34.4 | -179.8 | -59.7 | -175.3 | 179.3 | 179.1 | 0 | 111.7 | S90 E96 F97 | S90-K93 PolarHBondContact O-N 3.41Å; K93-E96 PolarHBondContact O-N 2.9Å; K93-F97 WeakPolarHBondContact O-CB 3.45Å; K93-F97 PolarHBondContact O-N 3.46Å |
| 94 | D | 82.8 | Confident | 73.3 | Confident | 96 Ų | 96 | 120.4 Ų | 120.4 | 51% | 0.513 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.6 | -40.5 | 174.9 | -69.4 | -12.7 | 0 | 0 | 0 | 111 | S90 F97 A98 | S90-D94 PolarHBondContact O-N 3.45Å; D94-F97 PolarHBondContact O-N 3.22Å; D94-A98 VanDerWaalsContact O-CB 3.25Å; D94-A98 WeakPolarHBondContact O-CB 3.42Å; D94-A98 PolarHBondContact O-N 3.41Å |
| 95 | R | 87.8 | Confident | 75.9 | Confident | 161 Ų | 161 | 121.1 Ų | 121.1 | 61% | 0.608 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63 | -42 | 173 | -169.6 | 174.4 | 72.9 | -116.7 | 0 | 112 | Q91 N92 G99 | Q91-R95 PolarHBondContact O-N 3.49Å; Q91-R95 VanDerWaalsContact O-N 3.16Å; N92-R95 PolarHBondContact O-N 3.01Å; N92-R95 PolarHBondContact OD1-NH1 3.41Å; N92-R95 PolarHBondContact OD1-NH2 2.94Å; R95-G99 PolarHBondContact O-N 3.04Å |
| 96 | E | 86.1 | Confident | 78.3 | Confident | 128 Ų | 128 | 119.1 Ų | 119.1 | 60% | 0.598 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.3 | -42.8 | 175.7 | -73.7 | 164.8 | -164.9 | 0 | 0 | 112.1 | N92 K93 G99 K100 | N92-E96 VanDerWaalsContact O-CG 3.24Å; N92-E96 WeakPolarHBondContact O-CG 3.45Å; N92-E96 PolarHBondContact O-N 2.93Å; K93-E96 PolarHBondContact O-N 2.9Å; E96-G99 PolarHBondContact O-N 3.5Å; E96-K100 PolarHBondContact O-N 3.07Å |
| 97 | F | 89.2 | Confident | 81 | Confident | 148 Ų | 148 | 119.5 Ų | 119.5 | 65% | 0.649 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67 | -43.4 | 177.5 | -173.3 | -96.9 | 0 | 0 | 0 | 111.8 | K93 D94 G99 K100 K101 | K93-F97 WeakPolarHBondContact O-CB 3.45Å; K93-F97 PolarHBondContact O-N 3.46Å; D94-F97 PolarHBondContact O-N 3.22Å; F97-G99 VanDerWaalsContact C-N 3.33Å; F97-G99 PolarHBondContact O-N 3.49Å; F97-K100 PolarHBondContact O-N 2.86Å; F97-K101 WeakPolarHBondContact O-CB 3.41Å; F97-K101 PolarHBondContact O-N 3.17Å |
| 98 | A | 92.3 | Very high | 83.4 | Confident | 55 Ų | 55 | 117.1 Ų | 117.1 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D94 K101 M102 | D94-A98 VanDerWaalsContact O-CB 3.25Å; D94-A98 WeakPolarHBondContact O-CB 3.42Å; D94-A98 PolarHBondContact O-N 3.41Å; A98-K101 PolarHBondContact O-N 3.44Å; A98-M102 VanDerWaalsContact O-CB 3.3Å; A98-M102 WeakPolarHBondContact O-CB 3.5Å; A98-M102 PolarHBondContact O-N 2.66Å |
| 99 | G | 95.9 | Very high | 85.6 | Confident | 25 Ų | 25 | 110.7 Ų | 110.7 | 26% | 0.258 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.8 | -49.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | R95 E96 F97 K101 M102 Q103 | R95-G99 PolarHBondContact O-N 3.04Å; E96-G99 PolarHBondContact O-N 3.5Å; F97-G99 VanDerWaalsContact C-N 3.33Å; F97-G99 PolarHBondContact O-N 3.49Å; G99-K101 VanDerWaalsContact C-N 3.33Å; G99-K101 PolarHBondContact O-N 3.15Å; G99-M102 PolarHBondContact O-N 2.81Å; G99-Q103 VanDerWaalsContact O-CG 3.25Å; G99-Q103 WeakPolarHBondContact O-CG 3.38Å; G99-Q103 PolarHBondContact O-N 2.92Å |
| 100 | K | 96.3 | Very high | 88.2 | Confident | 164 Ų | 164 | 103 Ų | 103 | 71% | 0.713 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.3 | -38.8 | 177.7 | -172.9 | 173.8 | -178.9 | 173.5 | 0 | 112.6 | E96 F97 H104 | E96-K100 PolarHBondContact O-N 3.07Å; F97-K100 PolarHBondContact O-N 2.86Å; K100-H104 PolarHBondContact O-N 2.83Å; K100-H104 VanDerWaalsContact O-N 3.08Å |
| 101 | K | 96.2 | Very high | 90 | Very high | 141 Ų | 141 | 108.9 Ų | 108.9 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.7 | -46.1 | 176.8 | -174 | -178.7 | 178.5 | -171.1 | 0 | 111.5 | F97 A98 G99 Q103 H104 E105 | F97-K101 WeakPolarHBondContact O-CB 3.41Å; F97-K101 PolarHBondContact O-N 3.17Å; A98-K101 PolarHBondContact O-N 3.44Å; G99-K101 VanDerWaalsContact C-N 3.33Å; G99-K101 PolarHBondContact O-N 3.15Å; K101-Q103 VanDerWaalsContact C-N 3.34Å; K101-Q103 PolarHBondContact O-N 2.91Å; K101-H104 WeakPolarHBondContact O-CB 3.29Å; K101-H104 PolarHBondContact O-N 3.24Å; K101-E105 PolarHBondContact O-N 3.49Å |
| 102 | M | 97.3 | Very high | 91.7 | Very high | 98 Ų | 98 | 107.6 Ų | 107.6 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 176.1 | -177.7 | -173.5 | 73.1 | 0 | 0 | 111.1 | A98 G99 H104 E105 I106 | A98-M102 VanDerWaalsContact O-CB 3.3Å; A98-M102 WeakPolarHBondContact O-CB 3.5Å; A98-M102 PolarHBondContact O-N 2.66Å; G99-M102 PolarHBondContact O-N 2.81Å; M102-H104 VanDerWaalsContact C-N 3.33Å; M102-H104 PolarHBondContact O-N 3.08Å; M102-E105 WeakPolarHBondContact O-CB 3.49Å; M102-E105 PolarHBondContact O-N 2.71Å; M102-E105 VanDerWaalsContact O-N 3.14Å; M102-I106 HydrophobicContact CG-CD1 4.12Å; M102-I106 WeakPolarHBondContact O-CG1 3.43Å; M102-I106 PolarHBondContact O-N 3.45Å |
| 103 | Q | 97.3 | Very high | 93 | Very high | 95 Ų | 95 | 108.2 Ų | 108.2 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58 | -47.2 | 174.9 | -71 | -62.5 | -20.2 | 0 | 0 | 110.9 | G99 K101 E105 I106 H107 | G99-Q103 VanDerWaalsContact O-CG 3.25Å; G99-Q103 WeakPolarHBondContact O-CG 3.38Å; G99-Q103 PolarHBondContact O-N 2.92Å; K101-Q103 VanDerWaalsContact C-N 3.34Å; K101-Q103 PolarHBondContact O-N 2.91Å; Q103-E105 VanDerWaalsContact C-N 3.31Å; Q103-E105 PolarHBondContact O-N 2.88Å; Q103-I106 PolarHBondContact O-N 3.03Å; Q103-H107 PolarHBondContact O-N 3.03Å; Q103-H107 VanDerWaalsContact O-N 3.15Å; Q103-H107 PolarHBondContact O-ND1 2.68Å |
| 104 | H | 97.3 | Very high | 94 | Very high | 127 Ų | 127 | 106.7 Ų | 106.7 | 59% | 0.588 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.1 | -42.9 | 175.2 | 179.3 | -77.4 | 0 | 0 | 0 | 112.4 | K100 K101 M102 H107 E108 | K100-H104 PolarHBondContact O-N 2.83Å; K100-H104 VanDerWaalsContact O-N 3.08Å; K101-H104 WeakPolarHBondContact O-CB 3.29Å; K101-H104 PolarHBondContact O-N 3.24Å; M102-H104 VanDerWaalsContact C-N 3.33Å; M102-H104 PolarHBondContact O-N 3.08Å; H104-H107 PolarHBondContact O-N 3.09Å; H104-E108 PolarHBondContact O-N 3.32Å; H104-E108 VanDerWaalsContact O-N 3.09Å |
| 105 | E | 97.2 | Very high | 94.6 | Very high | 114 Ų | 114 | 105.2 Ų | 105.2 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 177 | -174.6 | 174.5 | -180 | 0 | 0 | 112.4 | K101 M102 Q103 H107 E108 E109 | K101-E105 PolarHBondContact O-N 3.49Å; M102-E105 WeakPolarHBondContact O-CB 3.49Å; M102-E105 PolarHBondContact O-N 2.71Å; M102-E105 VanDerWaalsContact O-N 3.14Å; Q103-E105 VanDerWaalsContact C-N 3.31Å; Q103-E105 PolarHBondContact O-N 2.88Å; E105-H107 VanDerWaalsContact C-N 3.32Å; E105-H107 PolarHBondContact O-N 3.25Å; E105-E108 PolarHBondContact O-N 3.39Å; E105-E109 WeakPolarHBondContact O-CB 3.47Å; E105-E109 PolarHBondContact O-N 3.15Å |
| 106 | I | 97.3 | Very high | 94.8 | Very high | 80 Ų | 80 | 100.2 Ų | 100.2 | 41% | 0.41 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 176.1 | -68.9 | 165.5 | 0 | 0 | 0 | 111.2 | M102 Q103 E109 T110 | M102-I106 HydrophobicContact CG-CD1 4.12Å; M102-I106 WeakPolarHBondContact O-CG1 3.43Å; M102-I106 PolarHBondContact O-N 3.45Å; Q103-I106 PolarHBondContact O-N 3.03Å; I106-E109 PolarHBondContact O-N 3.27Å; I106-T110 WeakPolarHBondContact O-CB 3.35Å; I106-T110 PolarHBondContact O-N 3.26Å; I106-T110 PolarHBondContact O-OG1 3.46Å |
| 107 | H | 97.5 | Very high | 95 | Very high | 118 Ų | 118 | 96.5 Ų | 96.5 | 55% | 0.546 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 179.2 | -69.1 | 92.7 | 0 | 0 | 0 | 112 | Q103 H104 E105 T110 R111 | Q103-H107 PolarHBondContact O-N 3.03Å; Q103-H107 VanDerWaalsContact O-N 3.15Å; Q103-H107 PolarHBondContact O-ND1 2.68Å; H104-H107 PolarHBondContact O-N 3.09Å; E105-H107 VanDerWaalsContact C-N 3.32Å; E105-H107 PolarHBondContact O-N 3.25Å; H107-T110 PolarHBondContact O-N 2.87Å; H107-R111 PolarHBondContact O-N 2.59Å |
| 108 | E | 97.5 | Very high | 95.1 | Very high | 71 Ų | 71 | 96.8 Ų | 96.8 | 33% | 0.332 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.2 | -36.9 | 178.5 | -71.9 | -64.9 | 110.6 | 0 | 0 | 112.2 | H104 E105 R111 R112 | H104-E108 PolarHBondContact O-N 3.32Å; H104-E108 VanDerWaalsContact O-N 3.09Å; E105-E108 PolarHBondContact O-N 3.39Å; E108-R111 PolarHBondContact O-N 2.79Å; E108-R111 IonicContact OE1-CZ 3.33Å; E108-R111 IonicContact OE1-NE 3.71Å; E108-R111 PolarHBondContact OE1-NE 3.06Å; E108-R111 IonicContact OE1-NH2 3.1Å; E108-R111 PolarHBondContact OE1-NH2 2.71Å; E108-R112 PolarHBondContact O-N 3.09Å |
| 109 | E | 95.3 | Very high | 95.2 | Very high | 68 Ų | 68 | 99.5 Ų | 99.5 | 32% | 0.318 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 172.3 | -167 | 65.1 | -114.5 | 0 | 0 | 110.9 | E105 I106 R111 R112 E113 | E105-E109 WeakPolarHBondContact O-CB 3.47Å; E105-E109 PolarHBondContact O-N 3.15Å; I106-E109 PolarHBondContact O-N 3.27Å; E109-R111 VanDerWaalsContact C-N 3.28Å; E109-R111 PolarHBondContact O-N 3.22Å; E109-R112 WeakPolarHBondContact O-CB 3.37Å; E109-R112 PolarHBondContact O-N 2.97Å; E109-R112 VanDerWaalsContact O-N 3.08Å; E109-R112 IonicContact OE1-CZ 2.79Å; E109-R112 IonicContact OE1-NH1 3.18Å; E109-R112 PolarHBondContact OE1-NH1 3.21Å; E109-R112 IonicContact OE1-NH2 2.8Å; E109-R112 IonicContact OE2-CZ 2.66Å; E109-R112 IonicContact OE2-NH1 3.35Å; E109-R112 PolarHBondContact OE2-NH1 2.88Å; E109-R112 IonicContact OE2-NH2 2.81Å; E109-R112 PolarHBondContact OE2-NH2 3.43Å; E109-E113 WeakPolarHBondContact O-CG 3.31Å; E109-E113 PolarHBondContact O-N 2.85Å |
| 110 | T | 94.5 | Very high | 94.8 | Very high | 65 Ų | 65 | 101.4 Ų | 101.4 | 40% | 0.399 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 176.6 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | I106 H107 E113 Q114 | I106-T110 WeakPolarHBondContact O-CB 3.35Å; I106-T110 PolarHBondContact O-N 3.26Å; I106-T110 PolarHBondContact O-OG1 3.46Å; H107-T110 PolarHBondContact O-N 2.87Å; T110-E113 PolarHBondContact O-N 3.3Å; T110-Q114 WeakPolarHBondContact O-CB 3.27Å; T110-Q114 VanDerWaalsContact O-CG 3.22Å; T110-Q114 WeakPolarHBondContact O-CG 3.42Å; T110-Q114 PolarHBondContact O-N 2.97Å |
| 111 | R | 95.6 | Very high | 94.5 | Very high | 150 Ų | 150 | 100.8 Ų | 100.8 | 57% | 0.566 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.7 | -45.6 | 175.5 | -168.7 | -164.2 | -54 | -99.3 | 0.5 | 111.2 | H107 E108 E109 Q114 D115 | H107-R111 PolarHBondContact O-N 2.59Å; E108-R111 PolarHBondContact O-N 2.79Å; E108-R111 IonicContact OE1-CZ 3.33Å; E108-R111 IonicContact OE1-NE 3.71Å; E108-R111 PolarHBondContact OE1-NE 3.06Å; E108-R111 IonicContact OE1-NH2 3.1Å; E108-R111 PolarHBondContact OE1-NH2 2.71Å; E109-R111 VanDerWaalsContact C-N 3.28Å; E109-R111 PolarHBondContact O-N 3.22Å; R111-Q114 WeakPolarHBondContact O-CB 3.34Å; R111-Q114 PolarHBondContact O-N 3.28Å; R111-D115 PolarHBondContact O-N 3.48Å |
| 112 | R | 96.2 | Very high | 93.9 | Very high | 120 Ų | 120 | 96.6 Ų | 96.6 | 45% | 0.453 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 177.2 | -78.5 | -170 | -83.3 | 109.8 | -1 | 112.1 | E108 E109 D115 L116 | E108-R112 PolarHBondContact O-N 3.09Å; E109-R112 WeakPolarHBondContact O-CB 3.37Å; E109-R112 PolarHBondContact O-N 2.97Å; E109-R112 VanDerWaalsContact O-N 3.08Å; E109-R112 IonicContact OE1-CZ 2.79Å; E109-R112 IonicContact OE1-NH1 3.18Å; E109-R112 PolarHBondContact OE1-NH1 3.21Å; E109-R112 IonicContact OE1-NH2 2.8Å; E109-R112 IonicContact OE2-CZ 2.66Å; E109-R112 IonicContact OE2-NH1 3.35Å; E109-R112 PolarHBondContact OE2-NH1 2.88Å; E109-R112 IonicContact OE2-NH2 2.81Å; E109-R112 PolarHBondContact OE2-NH2 3.43Å; R112-D115 PolarHBondContact O-N 2.8Å; R112-L116 WeakPolarHBondContact O-CG 3.21Å; R112-L116 PolarHBondContact O-N 2.82Å |
| 113 | E | 91.4 | Very high | 93 | Very high | 106 Ų | 106 | 96.4 Ų | 96.4 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 174.4 | -72.7 | -177.8 | 178.1 | 0 | 0 | 111.5 | E109 T110 D115 L116 V117 | E109-E113 WeakPolarHBondContact O-CG 3.31Å; E109-E113 PolarHBondContact O-N 2.85Å; T110-E113 PolarHBondContact O-N 3.3Å; E113-D115 VanDerWaalsContact C-N 3.27Å; E113-D115 PolarHBondContact O-N 3.35Å; E113-L116 PolarHBondContact O-N 2.99Å; E113-L116 VanDerWaalsContact O-N 3.15Å; E113-V117 VanDerWaalsContact O-CG2 3.3Å; E113-V117 WeakPolarHBondContact O-CG2 3.47Å; E113-V117 PolarHBondContact O-N 2.81Å |
| 114 | Q | 93.1 | Very high | 92 | Very high | 111 Ų | 111 | 93.8 Ų | 93.8 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.6 | -40.6 | 176.2 | -74.7 | -74.3 | -22.8 | 0 | 0 | 112.1 | T110 R111 V117 K118 | T110-Q114 WeakPolarHBondContact O-CB 3.27Å; T110-Q114 VanDerWaalsContact O-CG 3.22Å; T110-Q114 WeakPolarHBondContact O-CG 3.42Å; T110-Q114 PolarHBondContact O-N 2.97Å; R111-Q114 WeakPolarHBondContact O-CB 3.34Å; R111-Q114 PolarHBondContact O-N 3.28Å; Q114-V117 WeakPolarHBondContact O-CB 3.3Å; Q114-V117 PolarHBondContact O-N 2.91Å; Q114-K118 WeakPolarHBondContact O-CG 3.42Å; Q114-K118 PolarHBondContact O-N 3.28Å |
| 115 | D | 94.8 | Very high | 90.8 | Very high | 64 Ų | 64 | 97.3 Ų | 97.3 | 34% | 0.342 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69 | -40.3 | 177.2 | -67.9 | -20.4 | 0 | 0 | 0 | 111.6 | R111 R112 E113 V117 K118 I119 | R111-D115 PolarHBondContact O-N 3.48Å; R112-D115 PolarHBondContact O-N 2.8Å; E113-D115 VanDerWaalsContact C-N 3.27Å; E113-D115 PolarHBondContact O-N 3.35Å; D115-V117 VanDerWaalsContact C-N 3.28Å; D115-V117 PolarHBondContact O-N 2.86Å; D115-K118 PolarHBondContact O-N 3.31Å; D115-K118 IonicContact OD1-NZ 2.68Å; D115-K118 PolarHBondContact OD1-NZ 3.47Å; D115-I119 WeakPolarHBondContact O-CB 3.32Å; D115-I119 VanDerWaalsContact O-CD1 3.3Å; D115-I119 WeakPolarHBondContact O-CD1 3.15Å; D115-I119 WeakPolarHBondContact O-CG1 3.38Å; D115-I119 PolarHBondContact O-N 3.03Å |
| 116 | L | 92.4 | Very high | 89.6 | Confident | 57 Ų | 57 | 99.2 Ų | 99.2 | 30% | 0.298 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -35.8 | 173.6 | -69.5 | 172.2 | 0 | 0 | 0 | 112.5 | R112 E113 I119 G120 K121 I122 | R112-L116 WeakPolarHBondContact O-CG 3.21Å; R112-L116 PolarHBondContact O-N 2.82Å; E113-L116 PolarHBondContact O-N 2.99Å; E113-L116 VanDerWaalsContact O-N 3.15Å; L116-I119 PolarHBondContact O-N 3.04Å; L116-G120 PolarHBondContact O-N 3.39Å; L116-G120 VanDerWaalsContact O-N 3.14Å; L116-K121 HydrophobicContact CB-CB 4.46Å; L116-K121 HydrophobicContact CD2-CB 4.2Å; L116-K121 HydrophobicContact CD2-CD 3.68Å; L116-K121 PolarHBondContact O-N 2.69Å; L116-I122 HydrophobicContact CB-CD1 3.83Å; L116-I122 HydrophobicContact CB-CG1 4.07Å; L116-I122 HydrophobicContact CD1-CD1 3.59Å; L116-I122 HydrophobicContact CG-CD1 4.32Å |
| 117 | V | 91.6 | Very high | 88.7 | Confident | 49 Ų | 49 | 102.2 Ų | 102.2 | 30% | 0.297 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -46.8 | 173.7 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | E113 Q114 D115 I119 G120 I122 G124 | E113-V117 VanDerWaalsContact O-CG2 3.3Å; E113-V117 WeakPolarHBondContact O-CG2 3.47Å; E113-V117 PolarHBondContact O-N 2.81Å; Q114-V117 WeakPolarHBondContact O-CB 3.3Å; Q114-V117 PolarHBondContact O-N 2.91Å; D115-V117 VanDerWaalsContact C-N 3.28Å; D115-V117 PolarHBondContact O-N 2.86Å; V117-I119 VanDerWaalsContact C-N 3.27Å; V117-I119 PolarHBondContact O-N 2.9Å; V117-G120 WeakPolarHBondContact O-CA 3.3Å; V117-G120 PolarHBondContact O-N 3.14Å; V117-I122 HydrophobicContact CG2-CB 4.45Å; V117-G124 VanDerWaalsContact CG1-CA 3.4Å; V117-G124 VanDerWaalsContact CG2-CA 3.5Å |
| 118 | K | 91.2 | Very high | 87.9 | Confident | 155 Ų | 155 | 104.9 Ų | 104.9 | 67% | 0.674 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.7 | -36.1 | 176.3 | -69.4 | 169.8 | -166 | 163.6 | 0 | 112.5 | Q114 D115 G120 | Q114-K118 WeakPolarHBondContact O-CG 3.42Å; Q114-K118 PolarHBondContact O-N 3.28Å; D115-K118 PolarHBondContact O-N 3.31Å; D115-K118 IonicContact OD1-NZ 2.68Å; D115-K118 PolarHBondContact OD1-NZ 3.47Å; K118-G120 PolarHBondContact O-N 2.94Å |
| 119 | I | 92.9 | Very high | 87.2 | Confident | 111 Ų | 111 | 102.7 Ų | 102.7 | 57% | 0.569 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -7 | 176.8 | -59.9 | 160.4 | 0 | 0 | 0 | 111.1 | D115 L116 V117 K121 | D115-I119 WeakPolarHBondContact O-CB 3.32Å; D115-I119 VanDerWaalsContact O-CD1 3.3Å; D115-I119 WeakPolarHBondContact O-CD1 3.15Å; D115-I119 WeakPolarHBondContact O-CG1 3.38Å; D115-I119 PolarHBondContact O-N 3.03Å; L116-I119 PolarHBondContact O-N 3.04Å; V117-I119 VanDerWaalsContact C-N 3.27Å; V117-I119 PolarHBondContact O-N 2.9Å; I119-K121 VanDerWaalsContact C-N 3.29Å; I119-K121 HydrophobicContact CG2-CD 4.11Å; I119-K121 HydrophobicContact CG2-CG 4.04Å; I119-K121 PolarHBondContact O-N 3.42Å |
| 120 | G | 89.1 | Confident | 86.9 | Confident | 65 Ų | 65 | 104 Ų | 104 | 67% | 0.67 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 14.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L116 V117 K118 | L116-G120 PolarHBondContact O-N 3.39Å; L116-G120 VanDerWaalsContact O-N 3.14Å; V117-G120 WeakPolarHBondContact O-CA 3.3Å; V117-G120 PolarHBondContact O-N 3.14Å; K118-G120 PolarHBondContact O-N 2.94Å |
| 121 | K | 89.2 | Confident | 86.6 | Confident | 152 Ų | 152 | 106.7 Ų | 106.7 | 66% | 0.661 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -78.5 | -25 | 178.2 | -73.1 | 179.6 | 176.5 | -177.9 | 0 | 112.9 | L116 I119 | L116-K121 HydrophobicContact CB-CB 4.46Å; L116-K121 HydrophobicContact CD2-CB 4.2Å; L116-K121 HydrophobicContact CD2-CD 3.68Å; L116-K121 PolarHBondContact O-N 2.69Å; I119-K121 VanDerWaalsContact C-N 3.29Å; I119-K121 HydrophobicContact CG2-CD 4.11Å; I119-K121 HydrophobicContact CG2-CG 4.04Å; I119-K121 PolarHBondContact O-N 3.42Å |
| 122 | I | 82.9 | Confident | 86.2 | Confident | 53 Ų | 53 | 108 Ų | 108 | 27% | 0.272 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -133 | 135.4 | -179 | -57.8 | 179.7 | 0 | 0 | 0 | 108.6 | L116 V117 G124 Y126 | L116-I122 HydrophobicContact CB-CD1 3.83Å; L116-I122 HydrophobicContact CB-CG1 4.07Å; L116-I122 HydrophobicContact CD1-CD1 3.59Å; L116-I122 HydrophobicContact CG-CD1 4.32Å; V117-I122 HydrophobicContact CG2-CB 4.45Å; I122-G124 PolarHBondContact O-N 3.22Å; I122-G124 VanDerWaalsContact O-N 3.17Å; I122-Y126 HydrophobicContact CG2-CE2 4.15Å; I122-Y126 WeakPolarHBondContact CG2-OH 3.39Å |
| 123 | P | 79.7 | Confident | 86 | Confident | 94 Ų | 94 | 106.9 Ų | 106.9 | 61% | 0.61 | 55% | 0.549 | S | S | * | . | trans | -58.2 | 116.6 | 170.9 | -23.6 | 34.3 | 0 | 0 | 0 | 111.1 | F125 Y126 | P123-F125 VanDerWaalsContact C-N 3.26Å; P123-F125 PolarHBondContact O-N 3.49Å; P123-Y126 WeakPolarHBondContact O-CE2 3.41Å | ||
| 124 | G | 74.5 | Confident | 86 | Confident | 39 Ų | 39 | 106.3 Ų | 106.3 | 40% | 0.402 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -73.9 | -8.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | V117 I122 | V117-G124 VanDerWaalsContact CG1-CA 3.4Å; V117-G124 VanDerWaalsContact CG2-CA 3.5Å; I122-G124 PolarHBondContact O-N 3.22Å; I122-G124 VanDerWaalsContact O-N 3.17Å |
| 125 | F | 73.7 | Confident | 85.9 | Confident | 201 Ų | 201 | 108.2 Ų | 108.2 | 88% | 0.882 | 55% | 0.554 | S | S | * | * | trans | -117.5 | 91.7 | -176.4 | -61.5 | -80.8 | 0 | 0 | 0 | 109.5 | P123 | P123-F125 VanDerWaalsContact C-N 3.26Å; P123-F125 PolarHBondContact O-N 3.49Å | ||
| 126 | Y | 71.6 | Confident | 85.9 | Confident | 155 Ų | 155 | 109 Ų | 109 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | trans | -90.2 | 109.5 | 162.4 | -67.4 | -77.5 | 0 | 0 | 0 | 108.3 | I122 P123 K128 | I122-Y126 HydrophobicContact CG2-CE2 4.15Å; I122-Y126 WeakPolarHBondContact CG2-OH 3.39Å; P123-Y126 WeakPolarHBondContact O-CE2 3.41Å; Y126-K128 PolarHBondContact O-N 3.08Å; Y126-K128 VanDerWaalsContact O-N 3.08Å | ||
| 127 | D | 78.6 | Confident | 85.9 | Confident | 143 Ų | 143 | 115.7 Ų | 115.7 | 77% | 0.765 | 58% | 0.577 | S | S | * | * | trans | -65.6 | 106.8 | 169.1 | -179.5 | 15 | 0 | 0 | 0 | 108.5 | G129 | D127-G129 PolarHBondContact O-N 2.9Å; D127-G129 WeakPolarHBondContact OD1-CA 3.46Å; D127-G129 PolarHBondContact OD1-N 3Å | ||
| 128 | K | 80.9 | Confident | 86 | Confident | 174 Ų | 174 | 120.3 Ų | 120.3 | 76% | 0.757 | 59% | 0.593 | S | S | * | * | trans | -74.6 | -3.1 | 179.4 | -53.2 | -170.4 | -164.9 | -66.4 | 0 | 111.5 | Y126 I134 | Y126-K128 PolarHBondContact O-N 3.08Å; Y126-K128 VanDerWaalsContact O-N 3.08Å; K128-I134 WeakPolarHBondContact O-CD1 3.43Å | ||
| 129 | G | 82.8 | Confident | 86.1 | Confident | 25 Ų | 25 | 118.7 Ų | 118.7 | 26% | 0.258 | 59% | 0.588 | S | S | . | * | trans | 72.1 | 156 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D127 Q133 | D127-G129 PolarHBondContact O-N 2.9Å; D127-G129 WeakPolarHBondContact OD1-CA 3.46Å; D127-G129 PolarHBondContact OD1-N 3Å; G129-Q133 VanDerWaalsContact CA-OE1 3.24Å | ||
| 130 | T | 88.4 | Confident | 86.2 | Confident | 94 Ų | 94 | 119.1 Ų | 119.1 | 58% | 0.577 | 59% | 0.591 | S | S | * | * | trans | -66.8 | 149.3 | 169.7 | -57.8 | 0 | 0 | 0 | 0 | 109.5 | R132 Q133 I134 | T130-R132 HydrophobicContact CG2-CB 4.3Å; T130-R132 PolarHBondContact O-N 2.85Å; T130-Q133 WeakPolarHBondContact O-CA 3.44Å; T130-Q133 WeakPolarHBondContact O-CB 3.43Å; T130-Q133 PolarHBondContact O-N 3.42Å; T130-I134 PolarHBondContact O-N 3.32Å | ||
| 131 | V | 88.2 | Confident | 86.3 | Confident | 122 Ų | 122 | 122.1 Ų | 122.1 | 74% | 0.739 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -47.3 | -37.5 | 176.4 | 178 | 0 | 0 | 0 | 0 | 112.3 | I134 K135 | V131-I134 PolarHBondContact O-N 3.28Å; V131-K135 PolarHBondContact O-N 3.47Å |
| 132 | R | 87.6 | Confident | 86.4 | Confident | 178 Ų | 178 | 120 Ų | 120 | 67% | 0.672 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62 | -46.5 | 174.8 | -175.3 | 178.4 | 165.1 | -160.4 | -5.8 | 112.9 | T130 I134 K135 E136 | T130-R132 HydrophobicContact CG2-CB 4.3Å; T130-R132 PolarHBondContact O-N 2.85Å; R132-I134 VanDerWaalsContact C-N 3.33Å; R132-I134 PolarHBondContact O-N 3.06Å; R132-K135 WeakPolarHBondContact O-CB 3.49Å; R132-K135 PolarHBondContact O-N 2.85Å; R132-E136 WeakPolarHBondContact CG-OE1 3.38Å; R132-E136 IonicContact CZ-OE1 3.39Å; R132-E136 IonicContact NE-OE1 3.33Å; R132-E136 PolarHBondContact NE-OE1 3.25Å; R132-E136 IonicContact NH2-OE1 3.5Å; R132-E136 PolarHBondContact NH2-OE1 3.12Å; R132-E136 VanDerWaalsContact NH2-OE1 3.14Å; R132-E136 WeakPolarHBondContact O-CG 3.45Å; R132-E136 PolarHBondContact O-N 3.08Å |
| 133 | Q | 90.9 | Very high | 86.7 | Confident | 97 Ų | 97 | 120.2 Ų | 120.2 | 45% | 0.453 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.2 | -38.3 | 177.6 | -67.6 | 170.8 | -34.2 | 0 | 0 | 111.4 | G129 T130 K135 E136 R137 | G129-Q133 VanDerWaalsContact CA-OE1 3.24Å; T130-Q133 WeakPolarHBondContact O-CA 3.44Å; T130-Q133 WeakPolarHBondContact O-CB 3.43Å; T130-Q133 PolarHBondContact O-N 3.42Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 3.47Å; Q133-E136 PolarHBondContact O-N 2.88Å; Q133-R137 WeakPolarHBondContact O-CB 3.43Å; Q133-R137 PolarHBondContact O-N 2.97Å |
| 134 | I | 91.6 | Very high | 87.1 | Confident | 94 Ų | 94 | 120.5 Ų | 120.5 | 48% | 0.482 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.9 | -43.3 | 174.6 | -59.2 | 172.1 | 0 | 0 | 0 | 110 | K128 T130 V131 R132 K138 | K128-I134 WeakPolarHBondContact O-CD1 3.43Å; T130-I134 PolarHBondContact O-N 3.32Å; V131-I134 PolarHBondContact O-N 3.28Å; R132-I134 VanDerWaalsContact C-N 3.33Å; R132-I134 PolarHBondContact O-N 3.06Å; I134-K138 WeakPolarHBondContact O-CB 3.35Å; I134-K138 PolarHBondContact O-N 3.48Å |
| 135 | K | 91.8 | Very high | 87.2 | Confident | 150 Ų | 150 | 122.7 Ų | 122.7 | 65% | 0.652 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65 | -47.5 | 177.6 | -173.9 | -179.2 | 178.3 | -177.1 | 0 | 112.1 | V131 R132 Q133 R137 K138 Q139 | V131-K135 PolarHBondContact O-N 3.47Å; R132-K135 WeakPolarHBondContact O-CB 3.49Å; R132-K135 PolarHBondContact O-N 2.85Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 3.47Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-R137 PolarHBondContact O-N 3.06Å; K135-K138 PolarHBondContact O-N 3.47Å; K135-Q139 WeakPolarHBondContact O-CB 3.38Å; K135-Q139 PolarHBondContact O-N 3.14Å |
| 136 | E | 93.3 | Very high | 87.2 | Confident | 82 Ų | 82 | 117.9 Ų | 117.9 | 38% | 0.383 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.4 | -44.5 | 177.5 | -72.6 | 170.5 | -177.6 | 0 | 0 | 110.8 | R132 Q133 K138 Q139 L140 | R132-E136 WeakPolarHBondContact CG-OE1 3.38Å; R132-E136 IonicContact CZ-OE1 3.39Å; R132-E136 IonicContact NE-OE1 3.33Å; R132-E136 PolarHBondContact NE-OE1 3.25Å; R132-E136 IonicContact NH2-OE1 3.5Å; R132-E136 PolarHBondContact NH2-OE1 3.12Å; R132-E136 VanDerWaalsContact NH2-OE1 3.14Å; R132-E136 WeakPolarHBondContact O-CG 3.45Å; R132-E136 PolarHBondContact O-N 3.08Å; Q133-E136 PolarHBondContact O-N 2.88Å; E136-K138 PolarHBondContact O-N 3.48Å; E136-Q139 WeakPolarHBondContact O-CB 3.47Å; E136-Q139 PolarHBondContact O-N 2.82Å; E136-L140 WeakPolarHBondContact O-CG 3.18Å; E136-L140 PolarHBondContact O-N 3.28Å |
| 137 | R | 93.6 | Very high | 87 | Confident | 196 Ų | 196 | 116.5 Ų | 116.5 | 74% | 0.74 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.7 | -36.2 | 177.5 | -172.9 | 162.6 | 144.2 | 86.4 | -3.3 | 112.9 | Q133 K135 L140 F141 | Q133-R137 WeakPolarHBondContact O-CB 3.43Å; Q133-R137 PolarHBondContact O-N 2.97Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-R137 PolarHBondContact O-N 3.06Å; R137-L140 PolarHBondContact O-N 2.9Å; R137-F141 PolarHBondContact O-N 3.48Å |
| 138 | K | 93.3 | Very high | 85.9 | Confident | 146 Ų | 146 | 114.1 Ų | 114.1 | 64% | 0.635 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.5 | -44 | 171.2 | -176.8 | -178.5 | 172.7 | -176.8 | 0 | 111.3 | I134 K135 E136 L140 F141 E142 | I134-K138 WeakPolarHBondContact O-CB 3.35Å; I134-K138 PolarHBondContact O-N 3.48Å; K135-K138 PolarHBondContact O-N 3.47Å; E136-K138 PolarHBondContact O-N 3.48Å; K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 2.89Å; K138-F141 PolarHBondContact O-N 3.43Å; K138-E142 WeakPolarHBondContact O-CB 3.45Å; K138-E142 PolarHBondContact O-N 2.8Å |
| 139 | Q | 94.1 | Very high | 84.6 | Confident | 121 Ų | 121 | 110.8 Ų | 110.8 | 57% | 0.565 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.6 | -41.3 | 177.8 | -174 | 176.1 | -8.4 | 0 | 0 | 111.5 | K135 E136 E142 T143 | K135-Q139 WeakPolarHBondContact O-CB 3.38Å; K135-Q139 PolarHBondContact O-N 3.14Å; E136-Q139 WeakPolarHBondContact O-CB 3.47Å; E136-Q139 PolarHBondContact O-N 2.82Å; Q139-E142 PolarHBondContact O-N 2.88Å; Q139-T143 WeakPolarHBondContact O-CG2 3.48Å; Q139-T143 PolarHBondContact O-N 3.21Å; Q139-T143 PolarHBondContact O-OG1 2.85Å; Q139-T143 VanDerWaalsContact O-OG1 3.05Å |
| 140 | L | 93.9 | Very high | 83.3 | Confident | 120 Ų | 120 | 113.7 Ų | 113.7 | 63% | 0.628 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.7 | -39.7 | 174.2 | -70.8 | 173.6 | 0 | 0 | 0 | 112.9 | E136 R137 K138 T143 L144 | E136-L140 WeakPolarHBondContact O-CG 3.18Å; E136-L140 PolarHBondContact O-N 3.28Å; R137-L140 PolarHBondContact O-N 2.9Å; K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 2.89Å; L140-T143 WeakPolarHBondContact CA-OG1 3.45Å; L140-T143 PolarHBondContact O-OG1 3.21Å; L140-L144 VanDerWaalsContact O-CB 3.31Å; L140-L144 WeakPolarHBondContact O-CB 3.28Å; L140-L144 PolarHBondContact O-N 2.99Å |
| 141 | F | 91.1 | Very high | 81.6 | Confident | 128 Ų | 128 | 117.7 Ų | 117.7 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.1 | -42.3 | 176.7 | 179 | -101.8 | 0 | 0 | 0 | 111.7 | R137 K138 L144 Q145 | R137-F141 PolarHBondContact O-N 3.48Å; K138-F141 PolarHBondContact O-N 3.43Å; F141-L144 PolarHBondContact O-N 2.66Å; F141-Q145 HydrophobicContact CD1-CG 4.21Å; F141-Q145 HydrophobicContact CE1-CG 3.88Å; F141-Q145 HydrophobicContact CE2-CG 4.26Å; F141-Q145 HydrophobicContact CZ-CG 3.92Å; F141-Q145 WeakPolarHBondContact O-CB 3.38Å; F141-Q145 WeakPolarHBondContact O-CG 3.49Å; F141-Q145 PolarHBondContact O-N 3.31Å |
| 142 | E | 92.1 | Very high | 79.8 | Confident | 108 Ų | 108 | 115.8 Ų | 115.8 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.3 | -43.2 | 177.8 | -175.3 | 165.5 | -155.6 | 0 | 0 | 112 | K138 Q139 Q145 N146 | K138-E142 WeakPolarHBondContact O-CB 3.45Å; K138-E142 PolarHBondContact O-N 2.8Å; Q139-E142 PolarHBondContact O-N 2.88Å; E142-Q145 PolarHBondContact O-N 3.41Å; E142-N146 WeakPolarHBondContact O-CB 3.36Å; E142-N146 PolarHBondContact O-N 3.32Å; E142-N146 PolarHBondContact O-ND2 2.73Å |
| 143 | T | 88.9 | Confident | 77.8 | Confident | 57 Ų | 57 | 113.5 Ų | 113.5 | 35% | 0.35 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.9 | -40.3 | 175.2 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | Q139 L140 N146 Q147 | Q139-T143 WeakPolarHBondContact O-CG2 3.48Å; Q139-T143 PolarHBondContact O-N 3.21Å; Q139-T143 PolarHBondContact O-OG1 2.85Å; Q139-T143 VanDerWaalsContact O-OG1 3.05Å; L140-T143 WeakPolarHBondContact CA-OG1 3.45Å; L140-T143 PolarHBondContact O-OG1 3.21Å; T143-N146 PolarHBondContact O-N 3.14Å; T143-Q147 WeakPolarHBondContact O-CB 3.3Å; T143-Q147 VanDerWaalsContact O-CG 3.24Å; T143-Q147 WeakPolarHBondContact O-CG 3.36Å; T143-Q147 PolarHBondContact O-N 3.35Å |
| 144 | L | 87.3 | Confident | 75.9 | Confident | 100 Ų | 100 | 116 Ų | 116 | 52% | 0.524 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.9 | -44.6 | 175.7 | -176 | 64.6 | 0 | 0 | 0 | 111.7 | L140 F141 N146 Q147 T148 | L140-L144 VanDerWaalsContact O-CB 3.31Å; L140-L144 WeakPolarHBondContact O-CB 3.28Å; L140-L144 PolarHBondContact O-N 2.99Å; F141-L144 PolarHBondContact O-N 2.66Å; L144-N146 VanDerWaalsContact C-N 3.31Å; L144-N146 PolarHBondContact O-N 3.49Å; L144-Q147 PolarHBondContact O-N 2.88Å; L144-T148 WeakPolarHBondContact O-CG2 3.25Å; L144-T148 PolarHBondContact O-N 2.96Å; L144-T148 VanDerWaalsContact O-N 3.1Å |
| 145 | Q | 77.4 | Confident | 73.8 | Confident | 86 Ų | 86 | 121.7 Ų | 121.7 | 40% | 0.402 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -59.9 | -43.7 | 175.6 | -68.9 | -85.9 | 62.6 | 0 | 0 | 111.1 | F141 E142 T148 S149 | F141-Q145 HydrophobicContact CD1-CG 4.21Å; F141-Q145 HydrophobicContact CE1-CG 3.88Å; F141-Q145 HydrophobicContact CE2-CG 4.26Å; F141-Q145 HydrophobicContact CZ-CG 3.92Å; F141-Q145 WeakPolarHBondContact O-CB 3.38Å; F141-Q145 WeakPolarHBondContact O-CG 3.49Å; F141-Q145 PolarHBondContact O-N 3.31Å; E142-Q145 PolarHBondContact O-N 3.41Å; Q145-T148 PolarHBondContact O-N 3.01Å; Q145-T148 PolarHBondContact O-OG1 2.99Å; Q145-S149 PolarHBondContact O-N 3.05Å |
| 146 | N | 74.9 | Confident | 71.7 | Confident | 100 Ų | 100 | 120.7 Ų | 120.7 | 54% | 0.535 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.4 | -32 | 179.8 | -64.3 | -18.2 | 0 | 0 | 0 | 112.4 | E142 T143 L144 S149 A150 | E142-N146 WeakPolarHBondContact O-CB 3.36Å; E142-N146 PolarHBondContact O-N 3.32Å; E142-N146 PolarHBondContact O-ND2 2.73Å; T143-N146 PolarHBondContact O-N 3.14Å; L144-N146 VanDerWaalsContact C-N 3.31Å; L144-N146 PolarHBondContact O-N 3.49Å; N146-S149 PolarHBondContact O-N 3.24Å; N146-A150 PolarHBondContact O-N 3.49Å |
| 147 | Q | 65.6 | Low | 69.8 | Low | 125 Ų | 125 | 119.7 Ų | 119.7 | 58% | 0.584 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.3 | -37.6 | 175.3 | -75.9 | 177.1 | 16.9 | 0 | 0 | 112.9 | T143 L144 S149 A150 K151 | T143-Q147 WeakPolarHBondContact O-CB 3.3Å; T143-Q147 VanDerWaalsContact O-CG 3.24Å; T143-Q147 WeakPolarHBondContact O-CG 3.36Å; T143-Q147 PolarHBondContact O-N 3.35Å; L144-Q147 PolarHBondContact O-N 2.88Å; Q147-S149 PolarHBondContact O-N 3.47Å; Q147-A150 PolarHBondContact O-N 2.91Å; Q147-A150 VanDerWaalsContact O-N 3.14Å; Q147-K151 PolarHBondContact O-N 2.8Å |
| 148 | T | 55.5 | Low | 67.7 | Low | 94 Ų | 94 | 118.7 Ų | 118.7 | 58% | 0.577 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.6 | -16.9 | 173.4 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | L144 Q145 | L144-T148 WeakPolarHBondContact O-CG2 3.25Å; L144-T148 PolarHBondContact O-N 2.96Å; L144-T148 VanDerWaalsContact O-N 3.1Å; Q145-T148 PolarHBondContact O-N 3.01Å; Q145-T148 PolarHBondContact O-OG1 2.99Å |
| 149 | S | 54.4 | Low | 65.6 | Low | 104 Ų | 104 | 121.4 Ų | 121.4 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -91.9 | -14.9 | 173.8 | -169.5 | 0 | 0 | 0 | 0 | 113.5 | Q145 N146 Q147 | Q145-S149 PolarHBondContact O-N 3.05Å; N146-S149 PolarHBondContact O-N 3.24Å; Q147-S149 PolarHBondContact O-N 3.47Å |
| 150 | A | 55.8 | Low | 63.5 | Low | 85 Ų | 85 | 118.1 Ų | 118.1 | 70% | 0.702 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -103.7 | -14.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N146 Q147 | N146-A150 PolarHBondContact O-N 3.49Å; Q147-A150 PolarHBondContact O-N 2.91Å; Q147-A150 VanDerWaalsContact O-N 3.14Å |
| 151 | K | 52.6 | Low | 61.5 | Low | 178 Ų | 178 | 118.5 Ų | 118.5 | 77% | 0.774 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -110.4 | 106.3 | 164.6 | -71.8 | -171.7 | 178.3 | -175.4 | 0 | 107.7 | Q147 L153 | Q147-K151 PolarHBondContact O-N 2.8Å; K151-L153 VanDerWaalsContact C-N 3.32Å; K151-L153 PolarHBondContact O-N 2.93Å |
| 152 | G | 50.5 | Low | 59.4 | Low | 83 Ų | 83 | 119.3 Ų | 119.3 | 86% | 0.856 | 67% | 0.668 | S | S | * | * | trans | -56.8 | 95.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 153 | L | 45.5 | Very low | 57.3 | Low | 130 Ų | 130 | 122.6 Ų | 122.6 | 68% | 0.681 | 69% | 0.688 | S | S | * | * | trans | -137 | 110.2 | 156.9 | -175.9 | 62.6 | 0 | 0 | 0 | 106.6 | K151 R155 | K151-L153 VanDerWaalsContact C-N 3.32Å; K151-L153 PolarHBondContact O-N 2.93Å; L153-R155 PolarHBondContact O-N 3.21Å | ||
| 154 | D | 50 | Low | 55.5 | Low | 150 Ų | 150 | 124.9 Ų | 124.9 | 80% | 0.802 | 71% | 0.707 | S | S | * | * | trans | -59.8 | 100.7 | -172.9 | -46.7 | -45.4 | 0 | 0 | 0 | 110 | ||||
| 155 | R | 47.4 | Very low | 53.4 | Low | 213 Ų | 213 | 129.7 Ų | 129.7 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | -119.9 | 70.2 | 160.2 | -69.5 | -168.7 | -172 | -96.9 | 2.5 | 108.8 | L153 G157 | L153-R155 PolarHBondContact O-N 3.21Å; R155-G157 PolarHBondContact O-N 2.92Å | ||
| 156 | S | 49 | Very low | 52.1 | Low | 128 Ų | 128 | 128.6 Ų | 128.6 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 75.4 | 158.3 | 46.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 157 | G | 53.6 | Low | 51 | Low | 61 Ų | 61 | 131.3 Ų | 131.3 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.6 | -19 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | R155 | R155-G157 PolarHBondContact O-N 2.92Š|
| 158 | L | 49.6 | Very low | 50.5 | Low | 176 Ų | 176 | 129 Ų | 129 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -128 | 20.1 | -177.5 | -64.4 | 175.2 | 0 | 0 | 0 | 113.7 | G160 | L158-G160 PolarHBondContact O-N 2.96Å; L158-G160 VanDerWaalsContact O-N 3.14Å | ||
| 159 | R | 48.4 | Very low | 50.3 | Low | 202 Ų | 202 | 130.4 Ų | 130.4 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -81.9 | 94.3 | 174.5 | -163 | 165 | -163.4 | -104.8 | 7.7 | 109.2 | ||||
| 160 | G | 49.9 | Very low | 50.4 | Low | 52 Ų | 52 | 133.9 Ų | 133.9 | 54% | 0.536 | 79% | 0.785 | S | S | . | * | P | Polyproline II helix | trans | -56 | 145.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L158 K162 | L158-G160 PolarHBondContact O-N 2.96Å; L158-G160 VanDerWaalsContact O-N 3.14Å; G160-K162 PolarHBondContact O-N 3.48Å; G160-K162 VanDerWaalsContact O-N 3.14Å |
| 161 | P | 52.5 | Low | 50.5 | Low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 117.7 | -174.1 | -20.1 | 31.2 | 0 | 0 | 0 | 111.3 | ||
| 162 | K | 46.5 | Very low | 50.9 | Low | 145 Ų | 145 | 134.8 Ų | 134.8 | 63% | 0.63 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 120.5 | 162.9 | -77.5 | -171.9 | 171.4 | 179.1 | 0 | 107.2 | G160 S164 | G160-K162 PolarHBondContact O-N 3.48Å; G160-K162 VanDerWaalsContact O-N 3.14Å; K162-S164 VanDerWaalsContact C-N 3.29Å; K162-S164 PolarHBondContact O-N 3.3Å |
| 163 | L | 48.1 | Very low | 51.5 | Low | 178 Ų | 178 | 137.1 Ų | 137.1 | 93% | 0.932 | 78% | 0.775 | S | S | * | * | trans | -71 | 89.2 | 170.9 | -58.9 | 174.7 | 0 | 0 | 0 | 108 | ||||
| 164 | S | 50.5 | Low | 52.2 | Low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -111.5 | 125.3 | 156.5 | 57.7 | 0 | 0 | 0 | 0 | 107.9 | K162 | K162-S164 VanDerWaalsContact C-N 3.29Å; K162-S164 PolarHBondContact O-N 3.3Å | ||
| 165 | E | 44.8 | Very low | 52.4 | Low | 201 Ų | 201 | 138.5 Ų | 138.5 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | trans | -48.6 | 137.7 | -179.8 | -168.3 | 168.1 | -175.8 | 0 | 0 | 113.7 | ||||
| 166 | G | 49.8 | Very low | 52.5 | Low | 62 Ų | 62 | 135 Ų | 135 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 107.5 | 94 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 167 | T | 50.8 | Low | 52.6 | Low | 157 Ų | 157 | 132.1 Ų | 132.1 | 96% | 0.963 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 73.7 | 108.1 | 156 | 9.7 | 0 | 0 | 0 | 0 | 118.4 | ||
| 168 | G | 55.3 | Low | 52.2 | Low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 103.1 | 45.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q170 | G168-Q170 PolarHBondContact O-N 2.91Š| ||
| 169 | C | 51.1 | Low | 51.9 | Low | 123 Ų | 123 | 137.6 Ų | 137.6 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -83.6 | 106.5 | 168.7 | -67.6 | 0 | 0 | 0 | 0 | 110.3 | I171 | C169-I171 PolarHBondContact O-N 3.33Å; C169-I171 VanDerWaalsContact O-N 3.17Å | ||
| 170 | Q | 57.6 | Low | 51.8 | Low | 177 Ų | 177 | 135.5 Ų | 135.5 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -67.1 | 107.2 | 165.7 | -169.2 | 76.4 | 27.6 | 0 | 0 | 108.3 | G168 I172 | G168-Q170 PolarHBondContact O-N 2.91Å; Q170-I172 PolarHBondContact O-N 2.85Å | ||
| 171 | I | 56.9 | Low | 51.3 | Low | 137 Ų | 137 | 138.9 Ų | 138.9 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | -72.4 | 110.3 | 172.3 | -55.3 | 180 | 0 | 0 | 0 | 107.1 | C169 I173 | C169-I171 PolarHBondContact O-N 3.33Å; C169-I171 VanDerWaalsContact O-N 3.17Å; I171-I173 HydrophobicContact CG2-CD1 4.38Å; I171-I173 HydrophobicContact CG2-CG1 3.66Å; I171-I173 PolarHBondContact O-N 3.39Å | ||
| 172 | I | 61.8 | Low | 50.5 | Low | 144 Ų | 144 | 137.3 Ų | 137.3 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -83.9 | 96 | 168.9 | -56 | 175.2 | 0 | 0 | 0 | 106.9 | Q170 I174 | Q170-I172 PolarHBondContact O-N 2.85Å; I172-I174 HydrophobicContact CG2-CG1 4.19Å; I172-I174 PolarHBondContact O-N 2.89Å | ||
| 173 | I | 62.9 | Low | 50.1 | Low | 133 Ų | 133 | 137.9 Ų | 137.9 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | trans | -81.1 | 108.6 | 168.1 | -55.6 | 178.9 | 0 | 0 | 0 | 106.5 | I171 E175 | I171-I173 HydrophobicContact CG2-CD1 4.38Å; I171-I173 HydrophobicContact CG2-CG1 3.66Å; I171-I173 PolarHBondContact O-N 3.39Å; I173-E175 VanDerWaalsContact C-N 3.28Å; I173-E175 HydrophobicContact CG2-CB 4.32Å; I173-E175 PolarHBondContact O-N 3.37Å; I173-E175 VanDerWaalsContact O-N 3.07Å | ||
| 174 | I | 59.8 | Low | 49.8 | Very low | 154 Ų | 154 | 138 Ų | 138 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -79 | 86.7 | 167.5 | -56.5 | 176.4 | 0 | 0 | 0 | 106.6 | I172 N176 | I172-I174 HydrophobicContact CG2-CG1 4.19Å; I172-I174 PolarHBondContact O-N 2.89Å; I174-N176 PolarHBondContact O-N 2.85Å | ||
| 175 | E | 53.4 | Low | 49.2 | Very low | 154 Ų | 154 | 140 Ų | 140 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -81.5 | 100.7 | 172.6 | -166.5 | 178.7 | -176.3 | 0 | 0 | 108.8 | I173 S177 | I173-E175 VanDerWaalsContact C-N 3.28Å; I173-E175 HydrophobicContact CG2-CB 4.32Å; I173-E175 PolarHBondContact O-N 3.37Å; I173-E175 VanDerWaalsContact O-N 3.07Å; E175-S177 VanDerWaalsContact C-N 3.33Å; E175-S177 PolarHBondContact O-N 3.35Å | ||
| 176 | N | 51 | Low | 48.7 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -84.9 | 78.5 | 167.9 | -176 | 46 | 0 | 0 | 0 | 108.9 | I174 | I174-N176 PolarHBondContact O-N 2.85Š| ||
| 177 | S | 50.9 | Low | 48.2 | Very low | 68 Ų | 68 | 147.1 Ų | 147.1 | 48% | 0.476 | 77% | 0.772 | S | S | . | * | trans | -94 | 98.9 | 174.4 | 51.4 | 0 | 0 | 0 | 0 | 110.3 | E175 T179 | E175-S177 VanDerWaalsContact C-N 3.33Å; E175-S177 PolarHBondContact O-N 3.35Å; S177-T179 PolarHBondContact O-N 3Å | ||
| 178 | R | 44.9 | Very low | 47.3 | Very low | 226 Ų | 226 | 144.5 Ų | 144.5 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -60.5 | 108.1 | 156.1 | -67.8 | -178.1 | 179.5 | -166.5 | -0.2 | 106.7 | ||||
| 179 | T | 42.3 | Very low | 46.6 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -68.9 | 127.1 | -179.5 | 44.5 | 0 | 0 | 0 | 0 | 110.5 | S177 | S177-T179 PolarHBondContact O-N 3Š| ||
| 180 | I | 46.2 | Very low | 45.9 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -108.8 | 123.7 | 156.9 | -58.4 | 177 | 0 | 0 | 0 | 106 | A182 | I180-A182 PolarHBondContact O-N 3.06Š| ||
| 181 | P | 40.8 | Very low | 44.7 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -76.5 | 114.6 | -179.8 | -5.8 | 22.1 | 0 | 0 | 0 | 110.3 | ||||
| 182 | A | 35.6 | Very low | 43.5 | Very low | 94 Ų | 94 | 148.2 Ų | 148.2 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -88.2 | 109.2 | 168 | 0 | 0 | 0 | 0 | 0 | 110.1 | I180 K184 | I180-A182 PolarHBondContact O-N 3.06Å; A182-K184 PolarHBondContact O-N 3.23Å | ||
| 183 | Q | 37.1 | Very low | 42.2 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -63 | 114.2 | 173.7 | -175.8 | 173.3 | -40.9 | 0 | 0 | 110.6 | H185 | Q183-H185 PolarHBondContact NE2-NE2 3.31Š| ||
| 184 | K | 42.7 | Very low | 40.6 | Very low | 180 Ų | 180 | 149 Ų | 149 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 118.3 | 173 | -69.2 | -176.9 | -179.2 | 178.2 | 0 | 109.7 | A182 | A182-K184 PolarHBondContact O-N 3.23Š|
| 185 | H | 36.8 | Very low | 39.3 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 121.5 | 163 | -74.6 | -78.9 | 0 | 0 | 0 | 110.2 | Q183 | Q183-H185 PolarHBondContact NE2-NE2 3.31Š|
| 186 | Y | 35.3 | Very low | 39 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 143 | 164.6 | -4.1 | -93 | 0 | 0 | 0 | 109.4 | ||
| 187 | K | 38.2 | Very low | 37.9 | Very low | 215 Ų | 215 | 143.3 Ų | 143.3 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | trans | -144.1 | 140 | 139.6 | -81 | -133.1 | 173.7 | -166.7 | 0 | 112.5 | ||||
| 188 | A | 33.8 | Very low | 37 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -83.3 | 169 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 189 | K | 40 | Very low | 36.1 | Very low | 207 Ų | 207 | 144.7 Ų | 144.7 | 90% | 0.9 | 81% | 0.809 | S | S | * | * | trans | -54.7 | 153 | 174.7 | -71.3 | 178.9 | 171.2 | -177.4 | 0 | 113.7 | ||||
| 190 | A | 35.3 | Very low | 35.4 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -139.9 | 132.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 191 | E | 33.8 | Very low | 34.6 | Very low | 176 Ų | 176 | 144.2 Ų | 144.2 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -102.4 | 136.5 | 176.9 | 175.4 | -177.5 | -176.7 | 0 | 0 | 107.6 | ||||
| 192 | A | 31.1 | Very low | 34.4 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -162.4 | 138.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 193 | K | 34.4 | Very low | 34.2 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -85.8 | 157.3 | -175.2 | -57.2 | -135.7 | -179.6 | -170.5 | 0 | 112.7 | ||||
| 194 | A | 29.4 | Very low | 33.8 | Very low | 101 Ų | 101 | 153.6 Ų | 153.6 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | 152.2 | 125.6 | 126.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 195 | S | 33.3 | Very low | 33.2 | Very low | 115 Ų | 115 | 150.8 Ų | 150.8 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -90.7 | 164 | 154 | -43.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 196 | P | 47.2 | Very low | 32.9 | Very low | 126 Ų | 126 | 153.5 Ų | 153.5 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | -155.1 | -168.4 | 59.7 | 39.2 | -15.1 | 0 | 0 | 0 | 117 | |||||
| 197 | A | 26.5 | Very low | 32.8 | Very low | 88 Ų | 88 | 151 Ų | 151 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | 94.8 | 103.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 198 | L | 32.2 | Very low | 32.6 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | 70.4 | 102.5 | 85.9 | -71.5 | 175.9 | 0 | 0 | 0 | 112.7 | |||||
| 199 | E | 25.8 | Very low | 32.7 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | 66.6 | 137.9 | 113.9 | -59.5 | -158.3 | 176.7 | 0 | 0 | 113.5 | |||||
| 200 | T | 29 | Very low | 32.5 | Very low | 102 Ų | 102 | 144 Ų | 144 | 63% | 0.626 | 81% | 0.812 | S | S | * | * | -174.5 | 145.4 | 51.6 | -45.6 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 201 | E | 28.1 | Very low | 32.6 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | 47.5 | 114.3 | 143.1 | -62 | 174.7 | -179.1 | 0 | 0 | 125.3 | ||||
| 202 | K | 37.5 | Very low | 32.8 | Very low | 201 Ų | 201 | 144.7 Ų | 144.7 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | 32.7 | 118.4 | 108.4 | -151.3 | 173.7 | -169.1 | 176.5 | 0 | 119.6 | |||||
| 203 | T | 30.3 | Very low | 33 | Very low | 130 Ų | 130 | 150 Ų | 150 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | trans | -179 | 120.7 | 134.6 | 31.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 204 | R | 30.3 | Very low | 33.1 | Very low | 241 Ų | 241 | 150.2 Ų | 150.2 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | 65.7 | 107.4 | 85.2 | -167.4 | -174.2 | -141.1 | 175.4 | 5.6 | 113 | |||||
| 205 | S | 28.6 | Very low | 33.3 | Very low | 120 Ų | 120 | 154 Ų | 154 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | 176.7 | 149.8 | 121.1 | -162.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 206 | Y | 30.4 | Very low | 33.3 | Very low | 207 Ų | 207 | 157.6 Ų | 157.6 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -83.6 | 168.7 | -174.3 | -112.8 | -113.6 | 0 | 0 | 0 | 113.6 | ||||
| 207 | D | 32.8 | Very low | 32.8 | Very low | 145 Ų | 145 | 160.5 Ų | 160.5 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | trans | 87.8 | 101.3 | 151 | -64.7 | -35.6 | 0 | 0 | 0 | 122.3 | ||||
| 208 | G | 34.1 | Very low | 33.4 | Very low | 77 Ų | 77 | 160.6 Ų | 160.6 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | 76.7 | 108.3 | 99.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 209 | L | 37.7 | Very low | 33.8 | Very low | 170 Ų | 170 | 163.6 Ų | 163.6 | 89% | 0.89 | 83% | 0.83 | S | S | * | * | trans | -154.4 | 122.3 | 144.7 | -162.3 | 57.1 | 0 | 0 | 0 | 113 | ||||
| 210 | V | 35.6 | Very low | 34.7 | Very low | 128 Ų | 128 | 163 Ų | 163 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | -76.2 | 139.5 | 173.9 | 177.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 211 | K | 36.4 | Very low | 35.2 | Very low | 203 Ų | 203 | 166.6 Ų | 166.6 | 88% | 0.883 | 84% | 0.839 | S | S | * | * | trans | -158.2 | 118.3 | 145.5 | -107.6 | 168 | -166.5 | -177.8 | 0 | 110.8 | ||||
| 212 | A | 37.4 | Very low | 36.1 | Very low | 94 Ų | 94 | 162.6 Ų | 162.6 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | trans | -78.4 | 134.5 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 213 | K | 36.3 | Very low | 36.6 | Very low | 216 Ų | 216 | 157.2 Ų | 157.2 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -143 | 141 | 146.3 | -85.9 | -166.9 | 175.6 | -179 | 0 | 108.8 | ||||
| 214 | K | 36.2 | Very low | 37.8 | Very low | 196 Ų | 196 | 155.4 Ų | 155.4 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | -98.2 | 130.9 | -171.4 | 178.5 | -173.8 | -175.5 | -176.5 | 0 | 108.1 | ||||
| 215 | E | 32.9 | Very low | 39.1 | Very low | 182 Ų | 182 | 154.5 Ų | 154.5 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | 172.3 | 96.2 | 153.9 | -97.9 | 157.9 | -159 | 0 | 0 | 105.7 | ||||
| 216 | Q | 33.1 | Very low | 40.3 | Very low | 189 Ų | 189 | 152 Ų | 152 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | 66.3 | 122.2 | 93.4 | -140.9 | 171.8 | -5.5 | 0 | 0 | 113 | |||||
| 217 | E | 37.9 | Very low | 42 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | 101.1 | 132.8 | 160.9 | -149.8 | 162 | -172.7 | 0 | 0 | 118.7 | ||||
| 218 | A | 39.8 | Very low | 43.7 | Very low | 90 Ų | 90 | 145 Ų | 145 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 58.2 | 80 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | E220 | A218-E220 PolarHBondContact O-N 3.33Š| ||
| 219 | K | 39.4 | Very low | 44.8 | Very low | 216 Ų | 216 | 149.1 Ų | 149.1 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | trans | -68.6 | 81.2 | 159.3 | -158.9 | 171.5 | -171.2 | 175.5 | 0 | 108.3 | M221 | K219-M221 PolarHBondContact O-N 3.14Š| ||
| 220 | E | 44.2 | Very low | 46.1 | Very low | 159 Ų | 159 | 146.7 Ų | 146.7 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -50.3 | 110.2 | 160.7 | -161.5 | -176.7 | -170.6 | 0 | 0 | 106.4 | A218 S222 | A218-E220 PolarHBondContact O-N 3.33Å; E220-S222 VanDerWaalsContact C-N 3.3Å; E220-S222 PolarHBondContact O-N 2.99Å | ||
| 221 | M | 40.3 | Very low | 47.4 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | -63.4 | 96.8 | 179.6 | -173.5 | 101.9 | 83.8 | 0 | 0 | 107 | K219 | K219-M221 PolarHBondContact O-N 3.14Š| ||
| 222 | S | 46.6 | Very low | 48.6 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | trans | -44.7 | 133 | 170.5 | 55.3 | 0 | 0 | 0 | 0 | 109.1 | E220 S224 | E220-S222 VanDerWaalsContact C-N 3.3Å; E220-S222 PolarHBondContact O-N 2.99Å; S222-S224 PolarHBondContact O-N 3.38Å | ||
| 223 | P | 48.8 | Very low | 49.4 | Very low | 87 Ų | 87 | 151.4 Ų | 151.4 | 57% | 0.565 | 76% | 0.76 | S | S | * | * | trans | -58 | 121 | 179.1 | 24.9 | -31.7 | 0 | 0 | 0 | 107.2 | K225 F230 | P223-K225 PolarHBondContact O-N 3.43Å; P223-F230 HydrophobicContact CB-CZ 4.31Å | ||
| 224 | S | 54.6 | Low | 50.4 | Low | 92 Ų | 92 | 145.2 Ų | 145.2 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | trans | -54.2 | 116.8 | -173.1 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | S222 G226 | S222-S224 PolarHBondContact O-N 3.38Å; S224-G226 PolarHBondContact O-N 3.28Å | ||
| 225 | K | 57.2 | Low | 51.6 | Low | 223 Ų | 223 | 140.8 Ų | 140.8 | 97% | 0.97 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 23.3 | 173.8 | -74.5 | -177.4 | 174.7 | 179.3 | 0 | 113.2 | P223 | P223-K225 PolarHBondContact O-N 3.43Š|
| 226 | G | 54.4 | Low | 53.1 | Low | 68 Ų | 68 | 135.7 Ų | 135.7 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -3.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S224 P228 | S224-G226 PolarHBondContact O-N 3.28Å; G226-P228 WeakPolarHBondContact O-CD 3.32Å |
| 227 | N | 65.9 | Low | 54.8 | Low | 83 Ų | 83 | 130.1 Ų | 130.1 | 44% | 0.444 | 70% | 0.703 | S | S | . | * | trans | -103.5 | 110.8 | -179.9 | -169.8 | -9.1 | 0 | 0 | 0 | 111.7 | F229 F230 | N227-F229 PolarHBondContact O-N 3.42Å; N227-F229 VanDerWaalsContact O-N 3.14Å; N227-F229 WeakPolarHBondContact OD1-CB 3.37Å; N227-F229 PolarHBondContact OD1-N 3.05Å; N227-F230 PolarHBondContact O-N 2.85Å | ||
| 228 | P | 69.1 | Low | 57 | Low | 120 Ų | 120 | 125 Ų | 125 | 78% | 0.779 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -9.3 | 177.5 | 29.5 | -35.1 | 0 | 0 | 0 | 113.5 | G226 | G226-P228 WeakPolarHBondContact O-CD 3.32Š|
| 229 | F | 57.9 | Low | 59.1 | Low | 164 Ų | 164 | 126.2 Ų | 126.2 | 72% | 0.719 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 5.4 | 176.5 | -64.1 | -74.7 | 0 | 0 | 0 | 114.4 | N227 K231 | N227-F229 PolarHBondContact O-N 3.42Å; N227-F229 VanDerWaalsContact O-N 3.14Å; N227-F229 WeakPolarHBondContact OD1-CB 3.37Å; N227-F229 PolarHBondContact OD1-N 3.05Å; F229-K231 PolarHBondContact O-N 3.27Å |
| 230 | F | 63.4 | Low | 61.4 | Low | 119 Ų | 119 | 122 Ų | 122 | 52% | 0.522 | 66% | 0.657 | S | S | . | * | trans | -73.5 | 73.2 | 168.9 | -157.1 | -91.7 | 0 | 0 | 0 | 108.6 | P223 N227 L232 | P223-F230 HydrophobicContact CB-CZ 4.31Å; N227-F230 PolarHBondContact O-N 2.85Å; F230-L232 VanDerWaalsContact C-N 3.34Å; F230-L232 HydrophobicContact CD1-CD2 4.23Å; F230-L232 HydrophobicContact CE1-CD2 4.35Å; F230-L232 PolarHBondContact O-N 3.38Å | ||
| 231 | K | 63.2 | Low | 63.5 | Low | 173 Ų | 173 | 117 Ų | 117 | 75% | 0.752 | 64% | 0.637 | S | S | * | * | trans | -54.5 | 106.9 | 165.6 | -73.6 | 168.7 | 179.6 | 173.4 | 0 | 104.6 | F229 R233 | F229-K231 PolarHBondContact O-N 3.27Å; K231-R233 PolarHBondContact O-N 2.94Å | ||
| 232 | L | 61.3 | Low | 65.9 | Low | 154 Ų | 154 | 115 Ų | 115 | 81% | 0.806 | 62% | 0.62 | S | S | * | * | trans | -55 | 84.6 | 170.4 | -69.5 | 165.7 | 0 | 0 | 0 | 107.1 | F230 S234 | F230-L232 VanDerWaalsContact C-N 3.34Å; F230-L232 HydrophobicContact CD1-CD2 4.23Å; F230-L232 HydrophobicContact CE1-CD2 4.35Å; F230-L232 PolarHBondContact O-N 3.38Å; L232-S234 PolarHBondContact O-N 3.21Å | ||
| 233 | R | 55.5 | Low | 68.2 | Low | 197 Ų | 197 | 117.1 Ų | 117.1 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | trans | -67.2 | 121.5 | 160.7 | -65.1 | -127.4 | -96.3 | -160.6 | -3.4 | 103.3 | K231 S235 | K231-R233 PolarHBondContact O-N 2.94Å; R233-S235 PolarHBondContact O-N 3.45Å | ||
| 234 | S | 57.7 | Low | 70.4 | Confident | 87 Ų | 87 | 117.5 Ų | 117.5 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | trans | -39.8 | 130.4 | -178.9 | -31.2 | 0 | 0 | 0 | 0 | 109.2 | L232 A236 N237 | L232-S234 PolarHBondContact O-N 3.21Å; S234-A236 PolarHBondContact O-N 3.16Å; S234-N237 PolarHBondContact O-N 3.2Å | ||
| 235 | S | 59.9 | Low | 72.3 | Confident | 103 Ų | 103 | 117.3 Ų | 117.3 | 72% | 0.72 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -47.1 | -23.8 | -173 | 47.2 | 0 | 0 | 0 | 0 | 114.4 | R233 N237 L238 | R233-S235 PolarHBondContact O-N 3.45Å; S235-N237 PolarHBondContact O-N 3.04Å; S235-N237 VanDerWaalsContact O-N 3.12Å; S235-L238 VanDerWaalsContact O-CB 3.3Å; S235-L238 WeakPolarHBondContact O-CB 3.4Å; S235-L238 PolarHBondContact O-N 3.13Å |
| 236 | A | 64.6 | Low | 74.3 | Confident | 75 Ų | 75 | 110.9 Ų | 110.9 | 62% | 0.62 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -56.3 | -19.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116 | S234 | S234-A236 PolarHBondContact O-N 3.16Š|
| 237 | N | 69.9 | Low | 76.3 | Confident | 71 Ų | 71 | 113.7 Ų | 113.7 | 38% | 0.38 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -101.4 | -3 | 177 | -63.9 | -66.1 | 0 | 0 | 0 | 113.5 | S234 S235 D239 K240 V241 | S234-N237 PolarHBondContact O-N 3.2Å; S235-N237 PolarHBondContact O-N 3.04Å; S235-N237 VanDerWaalsContact O-N 3.12Å; N237-D239 VanDerWaalsContact C-N 3.35Å; N237-K240 PolarHBondContact O-N 3.45Å; N237-V241 VanDerWaalsContact O-CG2 3.28Å; N237-V241 WeakPolarHBondContact O-CG2 3.31Å; N237-V241 PolarHBondContact O-N 3.07Å |
| 238 | L | 82.3 | Confident | 77.8 | Confident | 81 Ų | 81 | 112.1 Ų | 112.1 | 42% | 0.424 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.5 | -41.2 | -177 | -177.6 | 59.5 | 0 | 0 | 0 | 111.1 | S235 V241 R242 | S235-L238 VanDerWaalsContact O-CB 3.3Å; S235-L238 WeakPolarHBondContact O-CB 3.4Å; S235-L238 PolarHBondContact O-N 3.13Å; L238-V241 PolarHBondContact O-N 2.9Å; L238-R242 WeakPolarHBondContact O-CB 3.47Å; L238-R242 VanDerWaalsContact O-CG 3.29Å; L238-R242 WeakPolarHBondContact O-CG 3.5Å; L238-R242 PolarHBondContact O-N 3.47Å |
| 239 | D | 85.1 | Confident | 79.1 | Confident | 114 Ų | 114 | 111.6 Ų | 111.6 | 61% | 0.61 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.4 | -38.5 | -179.3 | -60.4 | -32.5 | 0 | 0 | 0 | 112 | N237 R242 Q243 | N237-D239 VanDerWaalsContact C-N 3.35Å; D239-R242 PolarHBondContact O-N 3.01Å; D239-Q243 WeakPolarHBondContact O-CB 3.5Å; D239-Q243 PolarHBondContact O-N 3.25Å |
| 240 | K | 87.4 | Confident | 81 | Confident | 128 Ų | 128 | 107.2 Ų | 107.2 | 56% | 0.557 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.8 | -46.2 | 172.5 | -68.1 | 179.9 | 177.4 | -72.1 | 0 | 111.3 | N237 R242 Q243 D244 | N237-K240 PolarHBondContact O-N 3.45Å; K240-R242 VanDerWaalsContact C-N 3.32Å; K240-R242 PolarHBondContact O-N 2.87Å; K240-Q243 WeakPolarHBondContact O-CB 3.25Å; K240-Q243 PolarHBondContact O-N 2.8Å; K240-D244 VanDerWaalsContact O-CG 3.23Å; K240-D244 PolarHBondContact O-N 3.36Å |
| 241 | V | 88.4 | Confident | 82.6 | Confident | 55 Ų | 55 | 109.4 Ų | 109.4 | 33% | 0.333 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | N237 L238 D244 I245 | N237-V241 VanDerWaalsContact O-CG2 3.28Å; N237-V241 WeakPolarHBondContact O-CG2 3.31Å; N237-V241 PolarHBondContact O-N 3.07Å; L238-V241 PolarHBondContact O-N 2.9Å; V241-D244 PolarHBondContact O-N 3.45Å; V241-I245 HydrophobicContact CG1-CD1 3.82Å; V241-I245 HydrophobicContact CG1-CG1 4.44Å; V241-I245 WeakPolarHBondContact O-CB 3.24Å; V241-I245 WeakPolarHBondContact O-CD1 3.49Å; V241-I245 WeakPolarHBondContact O-CG1 3.13Å; V241-I245 PolarHBondContact O-N 3.1Å |
| 242 | R | 89.8 | Confident | 84.2 | Confident | 134 Ų | 134 | 107.7 Ų | 107.7 | 51% | 0.506 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 174.3 | -73.6 | 175.9 | -174 | -79.2 | 8.5 | 111.6 | L238 D239 K240 I245 Q246 | L238-R242 WeakPolarHBondContact O-CB 3.47Å; L238-R242 VanDerWaalsContact O-CG 3.29Å; L238-R242 WeakPolarHBondContact O-CG 3.5Å; L238-R242 PolarHBondContact O-N 3.47Å; D239-R242 PolarHBondContact O-N 3.01Å; K240-R242 VanDerWaalsContact C-N 3.32Å; K240-R242 PolarHBondContact O-N 2.87Å; R242-I245 PolarHBondContact O-N 3.27Å; R242-Q246 PolarHBondContact O-N 3.14Å |
| 243 | Q | 95.6 | Very high | 85.9 | Confident | 131 Ų | 131 | 106.3 Ų | 106.3 | 61% | 0.612 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.6 | -48.7 | 175.3 | -174.9 | 175.6 | 8.4 | 0 | 0 | 111.3 | D239 K240 I245 Q246 E247 | D239-Q243 WeakPolarHBondContact O-CB 3.5Å; D239-Q243 PolarHBondContact O-N 3.25Å; K240-Q243 WeakPolarHBondContact O-CB 3.25Å; K240-Q243 PolarHBondContact O-N 2.8Å; Q243-I245 VanDerWaalsContact C-N 3.3Å; Q243-I245 PolarHBondContact O-N 3.34Å; Q243-Q246 PolarHBondContact O-N 3.44Å; Q243-E247 PolarHBondContact O-N 3.16Å |
| 244 | D | 95.3 | Very high | 87.8 | Confident | 95 Ų | 95 | 102.6 Ų | 102.6 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.5 | -40.5 | 177.6 | -67 | -6.2 | 0 | 0 | 0 | 111.6 | K240 V241 Q246 E247 A248 | K240-D244 VanDerWaalsContact O-CG 3.23Å; K240-D244 PolarHBondContact O-N 3.36Å; V241-D244 PolarHBondContact O-N 3.45Å; D244-Q246 VanDerWaalsContact C-N 3.33Å; D244-Q246 PolarHBondContact O-N 3.28Å; D244-E247 PolarHBondContact O-N 2.75Å; D244-A248 VanDerWaalsContact O-CB 3.32Å; D244-A248 WeakPolarHBondContact O-CB 3.36Å; D244-A248 PolarHBondContact O-N 2.94Å |
| 245 | I | 95.4 | Very high | 89.7 | Confident | 89 Ų | 89 | 101.9 Ų | 101.9 | 46% | 0.456 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 176.1 | -72.3 | 164.7 | 0 | 0 | 0 | 110.8 | V241 R242 Q243 K249 | V241-I245 HydrophobicContact CG1-CD1 3.82Å; V241-I245 HydrophobicContact CG1-CG1 4.44Å; V241-I245 WeakPolarHBondContact O-CB 3.24Å; V241-I245 WeakPolarHBondContact O-CD1 3.49Å; V241-I245 WeakPolarHBondContact O-CG1 3.13Å; V241-I245 PolarHBondContact O-N 3.1Å; R242-I245 PolarHBondContact O-N 3.27Å; Q243-I245 VanDerWaalsContact C-N 3.3Å; Q243-I245 PolarHBondContact O-N 3.34Å; I245-K249 WeakPolarHBondContact O-CG 3.24Å; I245-K249 PolarHBondContact O-N 2.83Å; I245-K249 VanDerWaalsContact O-N 3.15Å |
| 246 | Q | 97.3 | Very high | 91.4 | Very high | 87 Ų | 87 | 102.3 Ų | 102.3 | 41% | 0.407 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.6 | -45.1 | 179.5 | -173.3 | 54 | 48.2 | 0 | 0 | 111.1 | R242 Q243 D244 A248 K249 D250 | R242-Q246 PolarHBondContact O-N 3.14Å; Q243-Q246 PolarHBondContact O-N 3.44Å; D244-Q246 VanDerWaalsContact C-N 3.33Å; D244-Q246 PolarHBondContact O-N 3.28Å; Q246-A248 VanDerWaalsContact C-N 3.33Å; Q246-A248 PolarHBondContact O-N 2.97Å; Q246-K249 WeakPolarHBondContact O-CB 3.39Å; Q246-K249 PolarHBondContact O-N 3.14Å; Q246-K249 VanDerWaalsContact O-N 3.17Å; Q246-D250 PolarHBondContact NE2-OD1 2.95Å; Q246-D250 PolarHBondContact NE2-OD2 3.46Å; Q246-D250 PolarHBondContact O-N 3.17Å |
| 247 | E | 97.1 | Very high | 92.9 | Very high | 128 Ų | 128 | 103 Ų | 103 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.6 | -44.1 | 175.3 | -175.9 | -179.1 | 162.3 | 0 | 0 | 111.7 | Q243 D244 K249 D250 R251 | Q243-E247 PolarHBondContact O-N 3.16Å; D244-E247 PolarHBondContact O-N 2.75Å; E247-K249 VanDerWaalsContact C-N 3.33Å; E247-K249 PolarHBondContact O-N 2.73Å; E247-D250 PolarHBondContact O-N 2.95Å; E247-R251 WeakPolarHBondContact O-CB 3.43Å; E247-R251 PolarHBondContact O-N 3.24Å |
| 248 | A | 97.4 | Very high | 94.1 | Very high | 49 Ų | 49 | 104.1 Ų | 104.1 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D244 Q246 D250 R251 E252 | D244-A248 VanDerWaalsContact O-CB 3.32Å; D244-A248 WeakPolarHBondContact O-CB 3.36Å; D244-A248 PolarHBondContact O-N 2.94Å; Q246-A248 VanDerWaalsContact C-N 3.33Å; Q246-A248 PolarHBondContact O-N 2.97Å; A248-D250 PolarHBondContact O-N 2.86Å; A248-R251 PolarHBondContact O-N 3.22Å; A248-E252 WeakPolarHBondContact O-CG 3.48Å; A248-E252 PolarHBondContact O-N 3.09Å |
| 249 | K | 97.3 | Very high | 94.7 | Very high | 110 Ų | 110 | 108.1 Ų | 108.1 | 48% | 0.478 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 176.4 | -75.2 | 177.4 | 177 | -177.7 | 0 | 112.4 | I245 Q246 E247 E252 K253 | I245-K249 WeakPolarHBondContact O-CG 3.24Å; I245-K249 PolarHBondContact O-N 2.83Å; I245-K249 VanDerWaalsContact O-N 3.15Å; Q246-K249 WeakPolarHBondContact O-CB 3.39Å; Q246-K249 PolarHBondContact O-N 3.14Å; Q246-K249 VanDerWaalsContact O-N 3.17Å; E247-K249 VanDerWaalsContact C-N 3.33Å; E247-K249 PolarHBondContact O-N 2.73Å; K249-E252 PolarHBondContact O-N 3.3Å; K249-K253 WeakPolarHBondContact O-CG 3.42Å; K249-K253 PolarHBondContact O-N 3.24Å |
| 250 | D | 97.3 | Very high | 95 | Very high | 72 Ų | 72 | 107.3 Ų | 107.3 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.1 | -37.5 | -178.7 | -65.5 | -29.9 | 0 | 0 | 0 | 111.1 | Q246 E247 A248 E252 K253 E254 | Q246-D250 PolarHBondContact NE2-OD1 2.95Å; Q246-D250 PolarHBondContact NE2-OD2 3.46Å; Q246-D250 PolarHBondContact O-N 3.17Å; E247-D250 PolarHBondContact O-N 2.95Å; A248-D250 PolarHBondContact O-N 2.86Å; D250-E252 VanDerWaalsContact C-N 3.33Å; D250-E252 PolarHBondContact O-N 3.41Å; D250-K253 PolarHBondContact O-N 3.4Å; D250-K253 IonicContact OD1-NZ 2.59Å; D250-K253 PolarHBondContact OD1-NZ 3.29Å; D250-K253 VanDerWaalsContact OD1-NZ 3.1Å; D250-E254 PolarHBondContact O-N 2.99Å |
| 251 | R | 97.8 | Very high | 95.2 | Very high | 164 Ų | 164 | 105.9 Ų | 105.9 | 62% | 0.619 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.6 | -39.6 | 170 | -172.6 | -177.1 | 174.3 | 88.1 | 3.1 | 112.4 | E247 A248 E254 L255 | E247-R251 WeakPolarHBondContact O-CB 3.43Å; E247-R251 PolarHBondContact O-N 3.24Å; A248-R251 PolarHBondContact O-N 3.22Å; R251-E254 PolarHBondContact O-N 3.09Å; R251-L255 WeakPolarHBondContact O-CB 3.25Å; R251-L255 WeakPolarHBondContact O-CG 3.13Å; R251-L255 PolarHBondContact O-N 3.46Å |
| 252 | E | 96.5 | Very high | 95.2 | Very high | 138 Ų | 138 | 109.1 Ų | 109.1 | 65% | 0.645 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 174.8 | -79.4 | -174.6 | 174.9 | 0 | 0 | 112.1 | A248 K249 D250 L255 H256 | A248-E252 WeakPolarHBondContact O-CG 3.48Å; A248-E252 PolarHBondContact O-N 3.09Å; K249-E252 PolarHBondContact O-N 3.3Å; D250-E252 VanDerWaalsContact C-N 3.33Å; D250-E252 PolarHBondContact O-N 3.41Å; E252-L255 PolarHBondContact O-N 2.81Å; E252-H256 WeakPolarHBondContact O-CB 3.31Å; E252-H256 PolarHBondContact O-N 3.1Å |
| 253 | K | 96.3 | Very high | 94.8 | Very high | 124 Ų | 124 | 110.7 Ų | 110.7 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 174.3 | -70.2 | 171.5 | -169.3 | 161.1 | 0 | 111.8 | K249 D250 H256 T257 | K249-K253 WeakPolarHBondContact O-CG 3.42Å; K249-K253 PolarHBondContact O-N 3.24Å; D250-K253 PolarHBondContact O-N 3.4Å; D250-K253 IonicContact OD1-NZ 2.59Å; D250-K253 PolarHBondContact OD1-NZ 3.29Å; D250-K253 VanDerWaalsContact OD1-NZ 3.1Å; K253-H256 WeakPolarHBondContact O-CB 3.3Å; K253-H256 PolarHBondContact O-N 3.26Å; K253-T257 PolarHBondContact O-N 3.33Å; K253-T257 PolarHBondContact O-OG1 2.94Å; K253-T257 VanDerWaalsContact O-OG1 3.04Å |
| 254 | E | 96.4 | Very high | 93.2 | Very high | 119 Ų | 119 | 106.3 Ų | 106.3 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.8 | -48.5 | 175.7 | -172.8 | -170.9 | 165.6 | 0 | 0 | 110.8 | D250 R251 H256 T257 L258 | D250-E254 PolarHBondContact O-N 2.99Å; R251-E254 PolarHBondContact O-N 3.09Å; E254-H256 VanDerWaalsContact C-N 3.27Å; E254-H256 PolarHBondContact O-N 3.32Å; E254-T257 WeakPolarHBondContact O-CB 3.37Å; E254-T257 PolarHBondContact O-N 3.03Å; E254-T257 VanDerWaalsContact O-N 3.14Å; E254-L258 HydrophobicContact CG-CD1 4.23Å; E254-L258 HydrophobicContact CG-CG 4.47Å; E254-L258 VanDerWaalsContact O-CG 3.32Å; E254-L258 WeakPolarHBondContact O-CG 3.45Å; E254-L258 PolarHBondContact O-N 3.28Å |
| 255 | L | 96.8 | Very high | 91.4 | Very high | 72 Ų | 72 | 105.2 Ų | 105.2 | 38% | 0.377 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.7 | -37.8 | 175.3 | -78.9 | 172.8 | 0 | 0 | 0 | 112.5 | R251 E252 L258 R259 | R251-L255 WeakPolarHBondContact O-CB 3.25Å; R251-L255 WeakPolarHBondContact O-CG 3.13Å; R251-L255 PolarHBondContact O-N 3.46Å; E252-L255 PolarHBondContact O-N 2.81Å; L255-L258 PolarHBondContact O-N 3.02Å; L255-R259 WeakPolarHBondContact O-CB 3.24Å; L255-R259 WeakPolarHBondContact O-CG 3.41Å; L255-R259 PolarHBondContact O-N 3.36Å |
| 256 | H | 95.1 | Very high | 89.5 | Confident | 112 Ų | 112 | 107.9 Ų | 107.9 | 52% | 0.519 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.3 | -47.2 | 174.3 | -177.8 | -95.7 | 0 | 0 | 0 | 111.2 | E252 K253 E254 L258 R259 L260 | E252-H256 WeakPolarHBondContact O-CB 3.31Å; E252-H256 PolarHBondContact O-N 3.1Å; K253-H256 WeakPolarHBondContact O-CB 3.3Å; K253-H256 PolarHBondContact O-N 3.26Å; E254-H256 VanDerWaalsContact C-N 3.27Å; E254-H256 PolarHBondContact O-N 3.32Å; H256-L258 PolarHBondContact O-N 3.39Å; H256-R259 PolarHBondContact O-N 2.74Å; H256-L260 VanDerWaalsContact CE1-CD1 3.42Å; H256-L260 WeakPolarHBondContact CE1-CD1 3.43Å; H256-L260 WeakPolarHBondContact O-CG 3.24Å; H256-L260 PolarHBondContact O-N 3.44Å |
| 257 | T | 96 | Very high | 87.3 | Confident | 90 Ų | 90 | 111 Ų | 111 | 55% | 0.552 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59 | -44.3 | 173.9 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | K253 E254 R259 L260 S261 | K253-T257 PolarHBondContact O-N 3.33Å; K253-T257 PolarHBondContact O-OG1 2.94Å; K253-T257 VanDerWaalsContact O-OG1 3.04Å; E254-T257 WeakPolarHBondContact O-CB 3.37Å; E254-T257 PolarHBondContact O-N 3.03Å; E254-T257 VanDerWaalsContact O-N 3.14Å; T257-R259 PolarHBondContact O-N 2.58Å; T257-L260 CarbonylContact O-C 3.49Å; T257-L260 PolarHBondContact O-N 3.11Å; T257-S261 PolarHBondContact O-N 2.97Å |
| 258 | L | 95.1 | Very high | 84.9 | Confident | 94 Ų | 94 | 108.4 Ų | 108.4 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.4 | -39.7 | 177.2 | -69.5 | 174.6 | 0 | 0 | 0 | 111.8 | E254 L255 H256 S261 L262 | E254-L258 HydrophobicContact CG-CD1 4.23Å; E254-L258 HydrophobicContact CG-CG 4.47Å; E254-L258 VanDerWaalsContact O-CG 3.32Å; E254-L258 WeakPolarHBondContact O-CG 3.45Å; E254-L258 PolarHBondContact O-N 3.28Å; L255-L258 PolarHBondContact O-N 3.02Å; H256-L258 PolarHBondContact O-N 3.39Å; L258-S261 PolarHBondContact O-N 3.38Å; L258-L262 VanDerWaalsContact O-CB 3.26Å; L258-L262 WeakPolarHBondContact O-CB 3.31Å; L258-L262 PolarHBondContact O-N 3.46Å |
| 259 | R | 95.1 | Very high | 82.4 | Confident | 165 Ų | 165 | 110.9 Ų | 110.9 | 62% | 0.623 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.9 | -42.9 | 173.4 | -80 | 176.2 | -175 | 158.1 | 3.4 | 111.7 | L255 H256 T257 S261 L262 Y263 | L255-R259 WeakPolarHBondContact O-CB 3.24Å; L255-R259 WeakPolarHBondContact O-CG 3.41Å; L255-R259 PolarHBondContact O-N 3.36Å; H256-R259 PolarHBondContact O-N 2.74Å; T257-R259 PolarHBondContact O-N 2.58Å; R259-S261 VanDerWaalsContact C-N 3.32Å; R259-L262 PolarHBondContact O-N 2.88Å; R259-Y263 PolarHBondContact O-N 2.9Å |
| 260 | L | 91.1 | Very high | 79.8 | Confident | 97 Ų | 97 | 114.6 Ų | 114.6 | 51% | 0.508 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.2 | -37.5 | 174.1 | -73 | 178.9 | 0 | 0 | 0 | 111.6 | H256 T257 G264 | H256-L260 VanDerWaalsContact CE1-CD1 3.42Å; H256-L260 WeakPolarHBondContact CE1-CD1 3.43Å; H256-L260 WeakPolarHBondContact O-CG 3.24Å; H256-L260 PolarHBondContact O-N 3.44Å; T257-L260 CarbonylContact O-C 3.49Å; T257-L260 PolarHBondContact O-N 3.11Å; L260-G264 WeakPolarHBondContact O-CA 3.48Å; L260-G264 PolarHBondContact O-N 3.2Å |
| 261 | S | 91.9 | Very high | 76.8 | Confident | 99 Ų | 99 | 116 Ų | 116 | 69% | 0.692 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.3 | -38.7 | 175.1 | -176.3 | 0 | 0 | 0 | 0 | 112.7 | T257 L258 R259 | T257-S261 PolarHBondContact O-N 2.97Å; L258-S261 PolarHBondContact O-N 3.38Å; R259-S261 VanDerWaalsContact C-N 3.32Å |
| 262 | L | 87.9 | Confident | 74.2 | Confident | 122 Ų | 122 | 114.5 Ų | 114.5 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.2 | -34.8 | -175.3 | -177.5 | 60.9 | 0 | 0 | 0 | 112.7 | L258 R259 | L258-L262 VanDerWaalsContact O-CB 3.26Å; L258-L262 WeakPolarHBondContact O-CB 3.31Å; L258-L262 PolarHBondContact O-N 3.46Å; R259-L262 PolarHBondContact O-N 2.88Å |
| 263 | Y | 82.7 | Confident | 71.2 | Confident | 168 Ų | 168 | 113.3 Ų | 113.3 | 66% | 0.659 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -121.2 | -15 | -175.3 | -59.1 | -70.1 | 0 | 0 | 0 | 114.3 | R259 G265 | R259-Y263 PolarHBondContact O-N 2.9Å; Y263-G265 PolarHBondContact O-N 3.35Å |
| 264 | G | 62.1 | Low | 68.7 | Low | 39 Ų | 39 | 116.5 Ų | 116.5 | 40% | 0.402 | 67% | 0.666 | S | S | . | * | trans | -80.7 | 4.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L260 I266 | L260-G264 WeakPolarHBondContact O-CA 3.48Å; L260-G264 PolarHBondContact O-N 3.2Å; G264-I266 PolarHBondContact O-N 2.98Å; G264-I266 VanDerWaalsContact O-N 3.16Å | ||
| 265 | G | 57.4 | Low | 65.9 | Low | 72 Ų | 72 | 119.3 Ų | 119.3 | 74% | 0.742 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 27 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y263 | Y263-G265 PolarHBondContact O-N 3.35Š|
| 266 | I | 55.2 | Low | 62.9 | Low | 145 Ų | 145 | 124.3 Ų | 124.3 | 74% | 0.744 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | 0.5 | 173.9 | 50.8 | 168.8 | 0 | 0 | 0 | 114.4 | G264 | G264-I266 PolarHBondContact O-N 2.98Å; G264-I266 VanDerWaalsContact O-N 3.16Å |
| 267 | N | 51.8 | Low | 60.1 | Low | 152 Ų | 152 | 126.4 Ų | 126.4 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -140.1 | 100.7 | 168.5 | -65.2 | -45.3 | 0 | 0 | 0 | 109.6 | ||
| 268 | G | 46.7 | Very low | 57.7 | Low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 73% | 0.725 | S | S | * | * | trans | 150.2 | 35.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | E270 | G268-E270 PolarHBondContact O-N 2.9Å; G268-E270 VanDerWaalsContact O-N 3.12Å | ||
| 269 | A | 43.2 | Very low | 54.7 | Low | 100 Ų | 100 | 127.5 Ų | 127.5 | 83% | 0.826 | 74% | 0.735 | S | S | * | * | trans | -79.2 | 70.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | S271 | A269-S271 PolarHBondContact O-N 3.37Š| ||
| 270 | E | 43.8 | Very low | 52.3 | Low | 189 Ų | 189 | 125.8 Ų | 125.8 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | trans | -89.1 | 91 | 160.8 | -72.1 | -161.1 | 171 | 0 | 0 | 107.7 | G268 | G268-E270 PolarHBondContact O-N 2.9Å; G268-E270 VanDerWaalsContact O-N 3.12Å | ||
| 271 | S | 34.6 | Very low | 49.5 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -86.1 | 126.4 | 162.3 | -55 | 0 | 0 | 0 | 0 | 107.6 | A269 S273 | A269-S271 PolarHBondContact O-N 3.37Å; S271-S273 PolarHBondContact O-N 3.47Å | ||
| 272 | P | 41.7 | Very low | 47.4 | Very low | 131 Ų | 131 | 127 Ų | 127 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -89.4 | 108 | 179.2 | 33.2 | -28.4 | 0 | 0 | 0 | 109.7 | ||||
| 273 | S | 35.2 | Very low | 44.8 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -156.9 | 137.2 | 160.8 | 56 | 0 | 0 | 0 | 0 | 112.3 | S271 | S271-S273 PolarHBondContact O-N 3.47Š| ||
| 274 | K | 42.5 | Very low | 43 | Very low | 190 Ų | 190 | 125.7 Ų | 125.7 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -76.7 | 173.8 | -171 | -63.3 | 170.7 | 173 | 178.8 | 0 | 113.7 | ||||
| 275 | E | 37.3 | Very low | 41.4 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | 75.3 | 152.9 | 157.9 | -72.5 | 165.9 | 167.9 | 0 | 0 | 117.9 | ||||
| 276 | E | 34.3 | Very low | 40.1 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | cis | -171.8 | 139.9 | -30.6 | -176 | 174.3 | -164.7 | 0 | 0 | 102.7 | ||||
| 277 | I | 36.8 | Very low | 39.1 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -87.1 | 147.4 | -175 | -61.4 | 172.3 | 0 | 0 | 0 | 107.9 | ||||
| 278 | P | 44.6 | Very low | 38.4 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | -157.8 | 167.4 | 65.9 | 39 | -13.9 | 0 | 0 | 0 | 121.4 | |||||
| 279 | A | 33.5 | Very low | 38.2 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | trans | -72 | 166.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 280 | P | 43.5 | Very low | 38.4 | Very low | 129 Ų | 129 | 147 Ų | 147 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | -145.2 | 157.8 | 110 | 34 | -15.9 | 0 | 0 | 0 | 116.8 | |||||
| 281 | S | 33.3 | Very low | 38 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -72.3 | -165.1 | -178.2 | -26.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 282 | P | 46.8 | Very low | 38.4 | Very low | 110 Ų | 110 | 146 Ų | 146 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | cis | -141.8 | 159.4 | -17.8 | 35.3 | -14.2 | 0 | 0 | 0 | 118.1 | ||||
| 283 | L | 33.5 | Very low | 38.3 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | 61.8 | 168.2 | 144.2 | -71 | 168.8 | 0 | 0 | 0 | 122.2 | ||||
| 284 | P | 45 | Very low | 38.6 | Very low | 99 Ų | 99 | 150.5 Ų | 150.5 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | cis | -135.7 | 178.8 | -20.9 | 32 | -10.2 | 0 | 0 | 0 | 116.4 | ||||
| 285 | N | 29.7 | Very low | 38.6 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | 89 | 121.5 | 149.1 | -75.4 | -10.3 | 0 | 0 | 0 | 122.7 | ||||
| 286 | G | 29.8 | Very low | 38.9 | Very low | 62 Ų | 62 | 144.7 Ų | 144.7 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | trans | 110.1 | 87.5 | 130.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 287 | N | 34.1 | Very low | 39.7 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | 166.2 | 130.9 | 105.2 | -84 | -15.3 | 0 | 0 | 0 | 113.4 | R289 | N287-R289 PolarHBondContact O-N 2.88Š| |||
| 288 | R | 37 | Very low | 40.4 | Very low | 223 Ų | 223 | 140 Ų | 140 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -58.9 | 117.7 | 169.8 | -166.7 | -173.8 | -137.8 | -120.5 | 6 | 110.6 | ||||
| 289 | R | 41.7 | Very low | 40.5 | Very low | 242 Ų | 242 | 139.8 Ų | 139.8 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | trans | -140.5 | 117.3 | 151.2 | -82.4 | -168.1 | 164.5 | -176.6 | -5.3 | 109.7 | N287 | N287-R289 PolarHBondContact O-N 2.88Š| ||
| 290 | Q | 47.1 | Very low | 40.8 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -71.2 | 130.4 | 170.7 | -66 | 170.5 | -53.7 | 0 | 0 | 108.8 | ||||
| 291 | T | 36.7 | Very low | 40.4 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -152 | 131.1 | 150 | 38.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 292 | V | 41.8 | Very low | 40.4 | Very low | 133 Ų | 133 | 143 Ų | 143 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -65.6 | 163.6 | 179.6 | -95.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 293 | D | 39.5 | Very low | 39.9 | Very low | 155 Ų | 155 | 143 Ų | 143 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | 94.2 | 90.6 | 169.2 | -58.8 | -17.2 | 0 | 0 | 0 | 117.4 | ||||
| 294 | Q | 42.9 | Very low | 40 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -124.6 | 113.1 | 158.4 | -77.4 | -89 | 36.5 | 0 | 0 | 108.3 | ||||
| 295 | V | 40.8 | Very low | 40.1 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -73.6 | 116.1 | 167.7 | 164.4 | 0 | 0 | 0 | 0 | 107.6 | V297 | V295-V297 PolarHBondContact O-N 3.31Š| ||
| 296 | S | 43.6 | Very low | 40.8 | Very low | 116 Ų | 116 | 150 Ų | 150 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -72.1 | 114.9 | 178.5 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 297 | V | 52.5 | Low | 41.5 | Very low | 123 Ų | 123 | 156.8 Ų | 156.8 | 75% | 0.745 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 134.3 | 163.5 | 176.7 | 0 | 0 | 0 | 0 | 108.5 | V295 | V295-V297 PolarHBondContact O-N 3.31Š|
| 298 | P | 50.5 | Low | 41.7 | Very low | 111 Ų | 111 | 156.2 Ų | 156.2 | 72% | 0.721 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 144.1 | 171.4 | -14.3 | 29.2 | 0 | 0 | 0 | 111.8 | ||
| 299 | P | 47 | Very low | 41.9 | Very low | 115 Ų | 115 | 155.4 Ų | 155.4 | 75% | 0.747 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 158.8 | -177.1 | 32.2 | -34.5 | 0 | 0 | 0 | 112.6 | G301 | P299-G301 PolarHBondContact O-N 2.94Š|
| 300 | P | 40.7 | Very low | 41.8 | Very low | 127 Ų | 127 | 152.6 Ų | 152.6 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -75 | 117.4 | 174.3 | 30.2 | -30.6 | 0 | 0 | 0 | 110.2 | ||
| 301 | G | 34 | Very low | 41.3 | Very low | 77 Ų | 77 | 150.5 Ų | 150.5 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 133.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | P299 | P299-G301 PolarHBondContact O-N 2.94Š|
| 302 | Q | 33.5 | Very low | 41.3 | Very low | 192 Ų | 192 | 151.1 Ų | 151.1 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 162.6 | -168.1 | -61.3 | 172 | -73.8 | 0 | 0 | 114.2 | ||
| 303 | S | 35.5 | Very low | 41.4 | Very low | 108 Ų | 108 | 150.3 Ų | 150.3 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 129.7 | 172.3 | 49 | 0 | 0 | 0 | 0 | 114.9 | ||
| 304 | E | 36.4 | Very low | 41.1 | Very low | 198 Ų | 198 | 153.4 Ų | 153.4 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | -126.1 | 95.4 | 138.1 | -73.5 | -150.3 | 171.6 | 0 | 0 | 108.3 | ||||
| 305 | E | 46.4 | Very low | 41.3 | Very low | 187 Ų | 187 | 153.8 Ų | 153.8 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -82.4 | 108.8 | 156.4 | -73.9 | -176.1 | 159.3 | 0 | 0 | 107.4 | ||||
| 306 | E | 46 | Very low | 41 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | 167.3 | 99.6 | 137.1 | -99.9 | -166.2 | 136.4 | 0 | 0 | 111.1 | ||||
| 307 | K | 43 | Very low | 41.2 | Very low | 205 Ų | 205 | 152.7 Ų | 152.7 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | trans | 151.1 | 76.2 | 143 | -93.8 | -177.8 | 169.5 | 173.6 | 0 | 110.7 | ||||
| 308 | I | 39 | Very low | 41 | Very low | 156 Ų | 156 | 158.2 Ų | 158.2 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | -138 | 49.9 | 157 | -40 | 174.1 | 0 | 0 | 0 | 109.9 | ||||
| 309 | F | 41.1 | Very low | 41.3 | Very low | 205 Ų | 205 | 158.4 Ų | 158.4 | 90% | 0.899 | 82% | 0.815 | S | S | * | * | trans | -100.9 | 84.9 | 153.6 | -79.8 | -76.6 | 0 | 0 | 0 | 107.6 | ||||
| 310 | H | 39 | Very low | 41.5 | Very low | 183 Ų | 183 | 159.5 Ų | 159.5 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | trans | 176.3 | 85.3 | 150.9 | -90.7 | -61.3 | 0 | 0 | 0 | 107.8 | E312 | H310-E312 PolarHBondContact O-N 2.99Å; H310-E312 VanDerWaalsContact O-N 3.07Å | ||
| 311 | T | 36.6 | Very low | 42.4 | Very low | 126 Ų | 126 | 163.6 Ų | 163.6 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | -79.3 | 81.6 | 159.4 | -48.2 | 0 | 0 | 0 | 0 | 107.4 | V313 | T311-V313 PolarHBondContact O-N 3.27Š| ||
| 312 | E | 38 | Very low | 44 | Very low | 153 Ų | 153 | 169.5 Ų | 169.5 | 72% | 0.715 | 83% | 0.828 | S | S | * | * | trans | -64.5 | 112.4 | 163.1 | -162.2 | 176.4 | -156.3 | 0 | 0 | 107 | H310 R314 | H310-E312 PolarHBondContact O-N 2.99Å; H310-E312 VanDerWaalsContact O-N 3.07Å; E312-R314 PolarHBondContact O-N 3.39Å | ||
| 313 | V | 43.3 | Very low | 46.1 | Very low | 115 Ų | 115 | 164.9 Ų | 164.9 | 70% | 0.697 | 81% | 0.805 | S | S | * | * | trans | -66.2 | 85.5 | 177.7 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | T311 K315 | T311-V313 PolarHBondContact O-N 3.27Å; V313-K315 VanDerWaalsContact C-N 3.29Å; V313-K315 HydrophobicContact CG1-CG 4.23Å; V313-K315 PolarHBondContact O-N 2.95Å | ||
| 314 | R | 33.3 | Very low | 48.2 | Very low | 220 Ų | 220 | 164.4 Ų | 164.4 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -66.5 | 92.8 | 164.9 | -80.3 | -113.8 | 171.2 | 171.7 | -3.5 | 107.8 | E312 S316 | E312-R314 PolarHBondContact O-N 3.39Å; R314-S316 PolarHBondContact O-N 3.36Å | ||
| 315 | K | 46.4 | Very low | 50.2 | Low | 192 Ų | 192 | 159.3 Ų | 159.3 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -58.6 | 103.3 | 166.4 | -68.8 | -179.1 | 179.9 | 176.9 | 0 | 107.7 | V313 | V313-K315 VanDerWaalsContact C-N 3.29Å; V313-K315 HydrophobicContact CG1-CG 4.23Å; V313-K315 PolarHBondContact O-N 2.95Å | ||
| 316 | S | 35 | Very low | 51.6 | Low | 102 Ų | 102 | 156.2 Ų | 156.2 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -62 | 136.8 | 174.2 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | R314 R318 | R314-S316 PolarHBondContact O-N 3.36Å; S316-R318 PolarHBondContact O-N 2.92Å | ||
| 317 | P | 48.2 | Very low | 53.3 | Low | 123 Ų | 123 | 150.2 Ų | 150.2 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | trans | -69.9 | 97.7 | -178.9 | -8.3 | 23.9 | 0 | 0 | 0 | 109.1 | T319 | P317-T319 PolarHBondContact O-N 3.44Š| ||
| 318 | R | 47.2 | Very low | 55.1 | Low | 238 Ų | 238 | 146.2 Ų | 146.2 | 90% | 0.898 | 73% | 0.727 | S | S | * | * | trans | -69.2 | 122.3 | 174.4 | -125.2 | 173.6 | 177.1 | 131.6 | -1.7 | 108.1 | S316 | S316-R318 PolarHBondContact O-N 2.92Š| ||
| 319 | T | 58.1 | Low | 57 | Low | 116 Ų | 116 | 142.1 Ų | 142.1 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | trans | -55.5 | 149 | 173.6 | 49.5 | 0 | 0 | 0 | 0 | 111.1 | P317 R321 | P317-T319 PolarHBondContact O-N 3.44Å; T319-R321 VanDerWaalsContact C-N 3.27Å; T319-R321 PolarHBondContact O-N 2.72Å | ||
| 320 | P | 50 | Low | 58.4 | Low | 137 Ų | 137 | 141.7 Ų | 141.7 | 89% | 0.89 | 70% | 0.699 | S | S | * | * | trans | -73.5 | 83.6 | -175.2 | 29.6 | -32.3 | 0 | 0 | 0 | 109.8 | ||||
| 321 | R | 60.3 | Low | 60.3 | Low | 213 Ų | 213 | 138 Ų | 138 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | trans | -71.8 | 128.2 | 166.8 | -157.6 | 168.2 | 169.2 | 144.1 | -4.6 | 106.4 | T319 K323 | T319-R321 VanDerWaalsContact C-N 3.27Å; T319-R321 PolarHBondContact O-N 2.72Å; R321-K323 VanDerWaalsContact O-CG 3.3Å; R321-K323 WeakPolarHBondContact O-CG 3.47Å; R321-K323 PolarHBondContact O-N 3.02Å | ||
| 322 | Q | 68.8 | Low | 62.2 | Low | 202 Ų | 202 | 135.1 Ų | 135.1 | 94% | 0.944 | 67% | 0.667 | S | S | * | * | trans | -52.1 | 103 | 171.1 | -77.4 | -175.8 | -30.5 | 0 | 0 | 108 | ||||
| 323 | K | 76.6 | Confident | 63.7 | Low | 95 Ų | 95 | 130.9 Ų | 130.9 | 41% | 0.413 | 66% | 0.664 | S | S | . | * | trans | -79.5 | 137.2 | -179.1 | -63 | -161.2 | -178.3 | -172.7 | 0 | 107.2 | R321 E331 | R321-K323 VanDerWaalsContact O-CG 3.3Å; R321-K323 WeakPolarHBondContact O-CG 3.47Å; R321-K323 PolarHBondContact O-N 3.02Å; K323-E331 VanDerWaalsContact CD-OE2 3.31Å; K323-E331 WeakPolarHBondContact CD-OE2 3.31Å; K323-E331 IonicContact NZ-OE1 3.14Å; K323-E331 PolarHBondContact NZ-OE1 3.3Å; K323-E331 IonicContact NZ-OE2 3.38Å; K323-E331 PolarHBondContact NZ-OE2 3.43Å | ||
| 324 | N | 79.6 | Confident | 64.7 | Low | 97 Ų | 97 | 130.4 Ų | 130.4 | 52% | 0.519 | 66% | 0.657 | S | S | . | * | trans | -57 | 134.6 | 171 | -179.2 | -48 | 0 | 0 | 0 | 107.9 | L326 V327 Q328 | N324-L326 PolarHBondContact O-N 3.25Å; N324-L326 VanDerWaalsContact O-N 3.08Å; N324-L326 VanDerWaalsContact OD1-CB 3.32Å; N324-L326 WeakPolarHBondContact OD1-CB 3.44Å; N324-L326 PolarHBondContact OD1-N 3.1Å; N324-V327 HydrophobicContact CB-CB 4.41Å; N324-V327 HydrophobicContact CB-CG2 4.03Å; N324-V327 WeakPolarHBondContact O-CA 3.28Å; N324-V327 WeakPolarHBondContact O-CB 3.43Å; N324-V327 PolarHBondContact O-N 3.28Å; N324-Q328 PolarHBondContact O-N 2.89Å | ||
| 325 | P | 78.1 | Confident | 65.9 | Low | 92 Ų | 92 | 125.2 Ų | 125.2 | 60% | 0.597 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -53.5 | -33.6 | -177.6 | 18.9 | -32.1 | 0 | 0 | 0 | 112.5 | V327 Q328 L329 | P325-V327 VanDerWaalsContact C-N 3.35Å; P325-V327 PolarHBondContact O-N 2.81Å; P325-Q328 PolarHBondContact O-N 3.32Å; P325-L329 WeakPolarHBondContact O-CB 3.45Å; P325-L329 WeakPolarHBondContact O-CD1 3.45Å; P325-L329 WeakPolarHBondContact O-CG 3.27Å; P325-L329 PolarHBondContact O-N 3.06Å |
| 326 | L | 77 | Confident | 66.2 | Low | 121 Ų | 121 | 120.3 Ų | 120.3 | 63% | 0.634 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.9 | -37.5 | 175.5 | -169.6 | 66.2 | 0 | 0 | 0 | 112.8 | N324 L329 W330 | N324-L326 PolarHBondContact O-N 3.25Å; N324-L326 VanDerWaalsContact O-N 3.08Å; N324-L326 VanDerWaalsContact OD1-CB 3.32Å; N324-L326 WeakPolarHBondContact OD1-CB 3.44Å; N324-L326 PolarHBondContact OD1-N 3.1Å; L326-L329 PolarHBondContact O-N 3.15Å; L326-W330 WeakPolarHBondContact O-CB 3.45Å; L326-W330 PolarHBondContact O-N 2.84Å |
| 327 | V | 79.9 | Confident | 67 | Low | 64 Ų | 64 | 122.2 Ų | 122.2 | 39% | 0.388 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.3 | -37.8 | 176.4 | 176 | 0 | 0 | 0 | 0 | 110.2 | N324 P325 W330 E331 | N324-V327 HydrophobicContact CB-CB 4.41Å; N324-V327 HydrophobicContact CB-CG2 4.03Å; N324-V327 WeakPolarHBondContact O-CA 3.28Å; N324-V327 WeakPolarHBondContact O-CB 3.43Å; N324-V327 PolarHBondContact O-N 3.28Å; P325-V327 VanDerWaalsContact C-N 3.35Å; P325-V327 PolarHBondContact O-N 2.81Å; V327-W330 PolarHBondContact O-N 2.99Å; V327-E331 HydrophobicContact CG1-CG 4.29Å; V327-E331 WeakPolarHBondContact O-CB 3.4Å; V327-E331 VanDerWaalsContact O-CG 3.27Å; V327-E331 WeakPolarHBondContact O-CG 3.5Å; V327-E331 PolarHBondContact O-N 2.96Å |
| 328 | Q | 81.6 | Confident | 67.1 | Low | 121 Ų | 121 | 124.7 Ų | 124.7 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.9 | -35.4 | 175.6 | -168.9 | 171.2 | -8.5 | 0 | 0 | 112.2 | N324 P325 S332 | N324-Q328 PolarHBondContact O-N 2.89Å; P325-Q328 PolarHBondContact O-N 3.32Å; Q328-S332 WeakPolarHBondContact O-CB 3.47Å; Q328-S332 PolarHBondContact O-N 3.07Å; Q328-S332 PolarHBondContact O-OG 2.91Å |
| 329 | L | 79.8 | Confident | 66.9 | Low | 70 Ų | 70 | 120.7 Ų | 120.7 | 37% | 0.366 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.8 | -40.8 | 170.8 | -84.8 | 151 | 0 | 0 | 0 | 111.9 | P325 L326 S332 G333 L334 | P325-L329 WeakPolarHBondContact O-CB 3.45Å; P325-L329 WeakPolarHBondContact O-CD1 3.45Å; P325-L329 WeakPolarHBondContact O-CG 3.27Å; P325-L329 PolarHBondContact O-N 3.06Å; L326-L329 PolarHBondContact O-N 3.15Å; L329-S332 WeakPolarHBondContact CA-OG 3.46Å; L329-S332 PolarHBondContact O-OG 3.11Å; L329-S332 VanDerWaalsContact O-OG 3.09Å; L329-G333 PolarHBondContact O-N 3.25Å; L329-L334 HydrophobicContact CD2-CB 4.34Å; L329-L334 PolarHBondContact O-N 2.8Å |
| 330 | W | 70.7 | Confident | 66.3 | Low | 196 Ų | 196 | 123.2 Ų | 123.2 | 74% | 0.742 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.5 | -43 | 178.7 | -171.4 | 73.7 | 0 | 0 | 0 | 112.6 | L326 V327 S332 G333 I335 | L326-W330 WeakPolarHBondContact O-CB 3.45Å; L326-W330 PolarHBondContact O-N 2.84Å; V327-W330 PolarHBondContact O-N 2.99Å; W330-S332 VanDerWaalsContact C-N 3.31Å; W330-S332 PolarHBondContact O-N 3.26Å; W330-G333 PolarHBondContact O-N 3Å; W330-I335 HydrophobicContact CB-CD1 4.22Å |
| 331 | E | 78.9 | Confident | 65.5 | Low | 106 Ų | 106 | 129 Ų | 129 | 50% | 0.495 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.1 | -29.2 | 176.4 | -72.6 | 178.6 | 168.6 | 0 | 0 | 112.9 | K323 V327 G333 | K323-E331 VanDerWaalsContact CD-OE2 3.31Å; K323-E331 WeakPolarHBondContact CD-OE2 3.31Å; K323-E331 IonicContact NZ-OE1 3.14Å; K323-E331 PolarHBondContact NZ-OE1 3.3Å; K323-E331 IonicContact NZ-OE2 3.38Å; K323-E331 PolarHBondContact NZ-OE2 3.43Å; V327-E331 HydrophobicContact CG1-CG 4.29Å; V327-E331 WeakPolarHBondContact O-CB 3.4Å; V327-E331 VanDerWaalsContact O-CG 3.27Å; V327-E331 WeakPolarHBondContact O-CG 3.5Å; V327-E331 PolarHBondContact O-N 2.96Å; E331-G333 VanDerWaalsContact C-N 3.31Å |
| 332 | S | 75.6 | Confident | 65.8 | Low | 65 Ų | 65 | 124.8 Ų | 124.8 | 46% | 0.455 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.9 | -7.1 | 176.4 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | Q328 L329 W330 L334 | Q328-S332 WeakPolarHBondContact O-CB 3.47Å; Q328-S332 PolarHBondContact O-N 3.07Å; Q328-S332 PolarHBondContact O-OG 2.91Å; L329-S332 WeakPolarHBondContact CA-OG 3.46Å; L329-S332 PolarHBondContact O-OG 3.11Å; L329-S332 VanDerWaalsContact O-OG 3.09Å; W330-S332 VanDerWaalsContact C-N 3.31Å; W330-S332 PolarHBondContact O-N 3.26Å; S332-L334 PolarHBondContact O-N 3.14Å |
| 333 | G | 68.6 | Low | 65.6 | Low | 63 Ų | 63 | 120.7 Ų | 120.7 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.9 | 8.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L329 W330 E331 I335 | L329-G333 PolarHBondContact O-N 3.25Å; W330-G333 PolarHBondContact O-N 3Å; E331-G333 VanDerWaalsContact C-N 3.31Å; G333-I335 PolarHBondContact O-N 3Å |
| 334 | L | 65.2 | Low | 65 | Low | 106 Ų | 106 | 122.2 Ų | 122.2 | 56% | 0.555 | 63% | 0.632 | S | S | * | * | trans | -84.4 | 47.6 | -179.1 | -72.4 | 165.1 | 0 | 0 | 0 | 111.8 | L329 S332 N336 | L329-L334 HydrophobicContact CD2-CB 4.34Å; L329-L334 PolarHBondContact O-N 2.8Å; S332-L334 PolarHBondContact O-N 3.14Å; L334-N336 VanDerWaalsContact C-N 3.27Å; L334-N336 PolarHBondContact O-N 3Å | ||
| 335 | I | 58.1 | Low | 64.2 | Low | 110 Ų | 110 | 123.6 Ų | 123.6 | 56% | 0.564 | 64% | 0.638 | S | S | * | * | trans | -75.8 | -14.8 | -177.9 | -122.2 | 78.3 | 0 | 0 | 0 | 113.1 | W330 G333 | W330-I335 HydrophobicContact CB-CD1 4.22Å; G333-I335 PolarHBondContact O-N 3Å | ||
| 336 | N | 52.3 | Low | 63.3 | Low | 89 Ų | 89 | 125.6 Ų | 125.6 | 48% | 0.476 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -122.7 | 117.2 | 169.1 | -87 | -11.3 | 0 | 0 | 0 | 109.2 | L334 Y338 | L334-N336 VanDerWaalsContact C-N 3.27Å; L334-N336 PolarHBondContact O-N 3Å; N336-Y338 VanDerWaalsContact C-N 3.26Å; N336-Y338 HydrophobicContact CB-CD2 3.63Å; N336-Y338 HydrophobicContact CB-CE1 4.47Å; N336-Y338 HydrophobicContact CB-CE2 3.19Å; N336-Y338 HydrophobicContact CB-CG 4.45Å; N336-Y338 WeakPolarHBondContact ND2-CE2 3.21Å; N336-Y338 VanDerWaalsContact ND2-CZ 3.35Å; N336-Y338 PolarHBondContact ND2-OH 3.47Å; N336-Y338 PolarHBondContact O-N 3.19Å |
| 337 | N | 53 | Low | 62.4 | Low | 143 Ų | 143 | 125.9 Ų | 125.9 | 77% | 0.765 | 64% | 0.641 | S | S | * | * | trans | -63.3 | 90.1 | 165.4 | -69 | -62.1 | 0 | 0 | 0 | 108.9 | ||||
| 338 | Y | 49.2 | Very low | 61.1 | Low | 175 Ų | 175 | 130.4 Ų | 130.4 | 69% | 0.686 | 66% | 0.66 | S | S | * | * | trans | -107.4 | 95.2 | 156.9 | -53.1 | -67.3 | 0 | 0 | 0 | 106.1 | N336 L340 | N336-Y338 VanDerWaalsContact C-N 3.26Å; N336-Y338 HydrophobicContact CB-CD2 3.63Å; N336-Y338 HydrophobicContact CB-CE1 4.47Å; N336-Y338 HydrophobicContact CB-CE2 3.19Å; N336-Y338 HydrophobicContact CB-CG 4.45Å; N336-Y338 WeakPolarHBondContact ND2-CE2 3.21Å; N336-Y338 VanDerWaalsContact ND2-CZ 3.35Å; N336-Y338 PolarHBondContact ND2-OH 3.47Å; N336-Y338 PolarHBondContact O-N 3.19Å; Y338-L340 PolarHBondContact O-N 3.28Å | ||
| 339 | N | 43.6 | Very low | 59.6 | Low | 153 Ų | 153 | 131.1 Ų | 131.1 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -69.3 | 109.9 | 159 | -79 | -51.4 | 0 | 0 | 0 | 106 | ||||
| 340 | L | 44.6 | Very low | 57.9 | Low | 170 Ų | 170 | 136.2 Ų | 136.2 | 89% | 0.89 | 69% | 0.692 | S | S | * | * | trans | -82.6 | 102.6 | 154.8 | -105 | 75 | 0 | 0 | 0 | 105.7 | Y338 | Y338-L340 PolarHBondContact O-N 3.28Š| ||
| 341 | E | 35 | Very low | 56.7 | Low | 258 Ų | 258 | 130.7 Ų | 130.7 | 100% | 1.206 | 69% | 0.687 | S | S | * | * | trans | -101.4 | 0 | 151.5 | -168 | 170.4 | -161 | 0 | 0 | 108 |
Retrieved 341 of 341 residues in 163.8 ms
(Link to these results)