| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.6 | Very low | 41 | Very low | 247 Ų | 247 | 163.8 Ų | 163.8 | 100% | 1.217 | 87% | 0.87 | S | S | * | * | 0 | 94.6 | 0 | -82.6 | -86.8 | 177.6 | 0 | 0 | 107.2 | |||||
| 2 | D | 35 | Very low | 41.1 | Very low | 172 Ų | 172 | 161.9 Ų | 161.9 | 92% | 0.92 | 87% | 0.869 | S | S | * | * | trans | -163.3 | 134.6 | 130.8 | -149.2 | -7.1 | 0 | 0 | 0 | 110 | ||||
| 3 | G | 38.2 | Very low | 41.3 | Very low | 65 Ų | 65 | 161.5 Ų | 161.5 | 67% | 0.67 | 87% | 0.865 | S | S | * | * | trans | -87.7 | 132.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R5 | G3-R5 PolarHBondContact O-N 3.39Š| ||
| 4 | S | 42.1 | Very low | 41.5 | Very low | 109 Ų | 109 | 157.5 Ų | 157.5 | 76% | 0.762 | 85% | 0.852 | S | S | * | * | trans | -74.5 | 115 | 175.7 | -153.1 | 0 | 0 | 0 | 0 | 110.3 | R6 | S4-R6 PolarHBondContact O-N 3.38Š| ||
| 5 | R | 44.9 | Very low | 41.6 | Very low | 242 Ų | 242 | 163.6 Ų | 163.6 | 91% | 0.913 | 86% | 0.858 | S | S | * | * | trans | -69.1 | 118.6 | 169.6 | -70 | 179.4 | -161.9 | -130.7 | -0.2 | 109.4 | G3 | G3-R5 PolarHBondContact O-N 3.39Š| ||
| 6 | R | 47.5 | Very low | 41.5 | Very low | 231 Ų | 231 | 167.9 Ų | 167.9 | 87% | 0.872 | 86% | 0.861 | S | S | * | * | trans | -136.1 | 138.1 | 149.1 | -70 | -170.3 | -150.5 | -118.2 | 0.4 | 110.5 | S4 | S4-R6 PolarHBondContact O-N 3.38Š| ||
| 7 | V | 40.2 | Very low | 41.9 | Very low | 148 Ų | 148 | 161.4 Ų | 161.4 | 90% | 0.897 | 85% | 0.846 | S | S | * | * | trans | -59.2 | 130.4 | -169.9 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 8 | R | 38.2 | Very low | 42.2 | Very low | 246 Ų | 246 | 159.6 Ų | 159.6 | 93% | 0.928 | 85% | 0.845 | S | S | * | * | trans | -97.1 | 107 | 174.7 | -148.3 | -177.3 | -154.4 | -168.8 | 5.9 | 107.8 | ||||
| 9 | A | 42.5 | Very low | 42.4 | Very low | 94 Ų | 94 | 156.9 Ų | 156.9 | 78% | 0.777 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 141.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 10 | T | 43.4 | Very low | 42.4 | Very low | 138 Ų | 138 | 155.6 Ų | 155.6 | 85% | 0.847 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 148.4 | -167.6 | 36.7 | 0 | 0 | 0 | 0 | 114 | ||
| 11 | S | 38.4 | Very low | 42.9 | Very low | 110 Ų | 110 | 155 Ų | 155 | 77% | 0.769 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 134.7 | 178.7 | 51.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 12 | V | 42 | Very low | 43.4 | Very low | 141 Ų | 141 | 153.3 Ų | 153.3 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -128.6 | 115.6 | 157.1 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 13 | L | 44 | Very low | 44.2 | Very low | 156 Ų | 156 | 154.9 Ų | 154.9 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | -67 | 134.1 | 177.7 | -89.5 | 134.6 | 0 | 0 | 0 | 111.7 | ||||
| 14 | P | 44.2 | Very low | 44.4 | Very low | 106 Ų | 106 | 154.3 Ų | 154.3 | 69% | 0.688 | 81% | 0.814 | S | S | * | * | trans | -79.3 | 120 | 164.3 | -2.5 | 19.9 | 0 | 0 | 0 | 109.9 | Y16 | P14-Y16 PolarHBondContact O-N 3.44Š| ||
| 15 | R | 42.3 | Very low | 44.9 | Very low | 249 Ų | 249 | 157.9 Ų | 157.9 | 94% | 0.94 | 82% | 0.819 | S | S | * | * | trans | -73 | 115.5 | 167.7 | -79 | -172.8 | 179.1 | 173.6 | 0.2 | 109.1 | G17 | R15-G17 PolarHBondContact O-N 2.76Š| ||
| 16 | Y | 40.3 | Very low | 45.1 | Very low | 232 Ų | 232 | 153.3 Ų | 153.3 | 91% | 0.91 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 120.8 | 168.1 | -81.6 | -99.6 | 0 | 0 | 0 | 110.2 | P14 | P14-Y16 PolarHBondContact O-N 3.44Š|
| 17 | G | 48.8 | Very low | 45.2 | Very low | 58 Ų | 58 | 146.9 Ų | 146.9 | 60% | 0.598 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 157 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | R15 | R15-G17 PolarHBondContact O-N 2.76Š|
| 18 | P | 47.1 | Very low | 45.7 | Very low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 143.1 | -174.4 | 27.7 | -32.1 | 0 | 0 | 0 | 111.8 | C20 | P18-C20 PolarHBondContact O-N 3.32Š|
| 19 | P | 46.8 | Very low | 46.4 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 121.1 | -176.1 | 29.3 | -31.6 | 0 | 0 | 0 | 110.9 | L21 | P19-L21 PolarHBondContact O-N 3.05Å; P19-L21 VanDerWaalsContact O-N 3.16Å |
| 20 | C | 40.8 | Very low | 46.8 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -72.6 | 102.6 | 166.9 | 54.6 | 0 | 0 | 0 | 0 | 109.5 | P18 F22 | P18-C20 PolarHBondContact O-N 3.32Å; C20-F22 PolarHBondContact O-N 2.82Å | ||
| 21 | L | 53.6 | Low | 47.5 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -87.4 | 67.1 | 176.2 | -71.7 | 174.1 | 0 | 0 | 0 | 111.4 | P19 | P19-L21 PolarHBondContact O-N 3.05Å; P19-L21 VanDerWaalsContact O-N 3.16Å | ||
| 22 | F | 50.2 | Low | 48.4 | Very low | 211 Ų | 211 | 139.9 Ų | 139.9 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | trans | -153.8 | 75.1 | 160.8 | -83.2 | -70.6 | 0 | 0 | 0 | 110.8 | C20 | C20-F22 PolarHBondContact O-N 2.82Š| ||
| 23 | K | 53.3 | Low | 48.9 | Very low | 205 Ų | 205 | 141.2 Ų | 141.2 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | trans | -108.9 | 61.5 | 158.7 | -162.5 | 111 | 179.6 | -173.3 | 0 | 108.8 | ||||
| 24 | G | 42.5 | Very low | 49.5 | Very low | 52 Ų | 52 | 135.6 Ų | 135.6 | 54% | 0.536 | 74% | 0.736 | S | S | . | * | trans | -88.3 | 122.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | L26 | G24-L26 PolarHBondContact O-N 3.26Š| ||
| 25 | H | 51.8 | Low | 50 | Low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | trans | -62.2 | 88.9 | 163.6 | -89.3 | -77.6 | 0 | 0 | 0 | 108.2 | S27 | H25-S27 VanDerWaalsContact C-N 3.32Å; H25-S27 PolarHBondContact O-N 3.16Å; H25-S27 VanDerWaalsContact O-N 3.07Å | ||
| 26 | L | 49 | Very low | 50.4 | Low | 145 Ų | 145 | 131 Ų | 131 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | -75 | 99.2 | 162.5 | -60.4 | -148.6 | 0 | 0 | 0 | 105.7 | G24 T28 | G24-L26 PolarHBondContact O-N 3.26Å; L26-T28 PolarHBondContact O-N 2.86Å | ||
| 27 | S | 50.2 | Low | 51 | Low | 96 Ų | 96 | 121.9 Ų | 121.9 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | trans | -61.7 | 85.9 | 165.1 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | H25 K29 | H25-S27 VanDerWaalsContact C-N 3.32Å; H25-S27 PolarHBondContact O-N 3.16Å; H25-S27 VanDerWaalsContact O-N 3.07Å; S27-K29 PolarHBondContact O-N 3.48Å; S27-K29 VanDerWaalsContact O-N 3.11Å | ||
| 28 | T | 50.1 | Low | 51.4 | Low | 108 Ų | 108 | 125.4 Ų | 125.4 | 66% | 0.663 | 71% | 0.714 | S | S | * | * | trans | -81 | 44.3 | 167.3 | 46.3 | 0 | 0 | 0 | 0 | 110.3 | L26 | L26-T28 PolarHBondContact O-N 2.86Š| ||
| 29 | K | 52.8 | Low | 51.8 | Low | 175 Ų | 175 | 124.1 Ų | 124.1 | 76% | 0.761 | 71% | 0.709 | S | S | * | * | trans | -100.4 | 9.8 | -176.1 | -69.6 | -77.8 | -179 | 178.7 | 0 | 113.9 | S27 | S27-K29 PolarHBondContact O-N 3.48Å; S27-K29 VanDerWaalsContact O-N 3.11Å | ||
| 30 | S | 52 | Low | 52.3 | Low | 117 Ų | 117 | 122.4 Ų | 122.4 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -135.6 | 50.4 | -178.7 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 31 | N | 56.9 | Low | 53.5 | Low | 100 Ų | 100 | 125.3 Ų | 125.3 | 54% | 0.535 | 69% | 0.686 | S | S | . | * | trans | -117.1 | 121.3 | 159.9 | -171.2 | -0.7 | 0 | 0 | 0 | 108.4 | F33 C34 | N31-F33 PolarHBondContact O-N 2.89Å; N31-F33 PolarHBondContact OD1-N 3.41Å; N31-C34 PolarHBondContact O-N 2.91Å; N31-C34 VanDerWaalsContact O-N 3.13Å | ||
| 32 | A | 57.7 | Low | 54.1 | Low | 90 Ų | 90 | 125.2 Ų | 125.2 | 74% | 0.744 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -8.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 33 | F | 53.6 | Low | 55.3 | Low | 169 Ų | 169 | 118.9 Ų | 118.9 | 74% | 0.741 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | 16.6 | 179.6 | -56.9 | -75.8 | 0 | 0 | 0 | 114 | N31 T35 | N31-F33 PolarHBondContact O-N 2.89Å; N31-F33 PolarHBondContact OD1-N 3.41Å; F33-T35 PolarHBondContact O-N 2.95Å |
| 34 | C | 54.7 | Low | 56.5 | Low | 37 Ų | 37 | 111.7 Ų | 111.7 | 25% | 0.25 | 64% | 0.64 | C | S | . | * | trans | -63.9 | 100.2 | 173.2 | -81 | 0 | 0 | 0 | 0 | 111.3 | N31 D36 | N31-C34 PolarHBondContact O-N 2.91Å; N31-C34 VanDerWaalsContact O-N 3.13Å; C34-D36 PolarHBondContact O-N 3.27Å | ||
| 35 | T | 55.8 | Low | 58.3 | Low | 108 Ų | 108 | 112.3 Ų | 112.3 | 66% | 0.663 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -20.7 | 172.5 | 49.8 | 0 | 0 | 0 | 0 | 113.4 | F33 S37 | F33-T35 PolarHBondContact O-N 2.95Å; T35-S37 VanDerWaalsContact C-N 3.32Å; T35-S37 PolarHBondContact O-N 3.43Å |
| 36 | D | 49.9 | Very low | 59.8 | Low | 152 Ų | 152 | 108 Ų | 108 | 81% | 0.813 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -0.5 | -175.4 | -69.4 | -3.7 | 0 | 0 | 0 | 113.8 | C34 S38 | C34-D36 PolarHBondContact O-N 3.27Å; D36-S38 PolarHBondContact O-N 3.4Å; D36-S38 VanDerWaalsContact O-N 3.08Å |
| 37 | S | 54.3 | Low | 61.7 | Low | 40 Ų | 40 | 105.6 Ų | 105.6 | 28% | 0.28 | 60% | 0.598 | S | S | . | * | trans | -78.7 | 95.7 | 172.3 | -70.3 | 0 | 0 | 0 | 0 | 109.1 | T35 S39 L40 | T35-S37 VanDerWaalsContact C-N 3.32Å; T35-S37 PolarHBondContact O-N 3.43Å; S37-S39 PolarHBondContact O-N 2.64Å; S37-L40 PolarHBondContact O-N 2.89Å | ||
| 38 | S | 56.8 | Low | 63.6 | Low | 131 Ų | 131 | 105 Ų | 105 | 92% | 0.916 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -4.6 | 174.3 | 59.9 | 0 | 0 | 0 | 0 | 115.4 | D36 | D36-S38 PolarHBondContact O-N 3.4Å; D36-S38 VanDerWaalsContact O-N 3.08Å |
| 39 | S | 55.1 | Low | 65.5 | Low | 102 Ų | 102 | 106.5 Ų | 106.5 | 71% | 0.713 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -16.9 | 173.4 | 63.6 | 0 | 0 | 0 | 0 | 114.3 | S37 R41 | S37-S39 PolarHBondContact O-N 2.64Å; S39-R41 VanDerWaalsContact C-N 3.29Å; S39-R41 PolarHBondContact O-N 2.72Å |
| 40 | L | 56.7 | Low | 67.4 | Low | 73 Ų | 73 | 102.1 Ų | 102.1 | 38% | 0.382 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -83.7 | 84.1 | 174 | -163.7 | 69.7 | 0 | 0 | 0 | 107.1 | S37 L42 T44 L45 | S37-L40 PolarHBondContact O-N 2.89Å; L40-L42 PolarHBondContact O-N 3.08Å; L40-T44 WeakPolarHBondContact CD1-OG1 3.49Å; L40-T44 WeakPolarHBondContact CG-OG1 3.47Å; L40-L45 HydrophobicContact CD2-CD1 4.35Å; L40-L45 HydrophobicContact CD2-CD2 3.49Å; L40-L45 VanDerWaalsContact CD2-CD2 3.49Å; L40-L45 HydrophobicContact CD2-CG 3.77Å; L40-L45 HydrophobicContact CG-CD2 4.36Å; L40-L45 HydrophobicContact CG-CG 4.13Å |
| 41 | R | 66.4 | Low | 69.5 | Low | 191 Ų | 191 | 102.4 Ų | 102.4 | 72% | 0.721 | 56% | 0.561 | S | S | * | * | trans | -40.4 | 130 | -177.6 | -70.8 | -98.5 | 166.6 | 149.1 | -6.1 | 109.4 | S39 S43 T44 L45 | S39-R41 VanDerWaalsContact C-N 3.29Å; S39-R41 PolarHBondContact O-N 2.72Å; R41-S43 WeakPolarHBondContact CB-OG 3.21Å; R41-S43 CarbonylContact O-C 3.57Å; R41-S43 PolarHBondContact O-N 3.07Å; R41-T44 HydrophobicContact CB-CG2 4.39Å; R41-T44 WeakPolarHBondContact O-CA 3.36Å; R41-T44 WeakPolarHBondContact O-CB 3.37Å; R41-T44 PolarHBondContact O-N 3.07Å; R41-T44 PolarHBondContact O-OG1 2.92Å; R41-L45 PolarHBondContact O-N 3.1Å | ||
| 42 | L | 66.9 | Low | 71.3 | Confident | 142 Ų | 142 | 101.1 Ų | 101.1 | 74% | 0.743 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -43.8 | -33.3 | 176.1 | 179.9 | 63.4 | 0 | 0 | 0 | 112.7 | L40 L45 Q46 | L40-L42 PolarHBondContact O-N 3.08Å; L42-L45 PolarHBondContact O-N 3.11Å; L42-Q46 WeakPolarHBondContact O-CB 3.17Å; L42-Q46 PolarHBondContact O-N 2.84Å |
| 43 | S | 74.7 | Confident | 73 | Confident | 79 Ų | 79 | 99.1 Ų | 99.1 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.8 | -40.7 | 173.1 | 57.9 | 0 | 0 | 0 | 0 | 114.4 | R41 Q46 L47 | R41-S43 WeakPolarHBondContact CB-OG 3.21Å; R41-S43 CarbonylContact O-C 3.57Å; R41-S43 PolarHBondContact O-N 3.07Å; S43-Q46 PolarHBondContact O-N 2.82Å; S43-L47 WeakPolarHBondContact O-CB 3.44Å; S43-L47 PolarHBondContact O-N 3.19Å |
| 44 | T | 79.1 | Confident | 75 | Confident | 53 Ų | 53 | 94.8 Ų | 94.8 | 33% | 0.325 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 177 | 57.4 | 0 | 0 | 0 | 0 | 112 | L40 R41 L47 V48 | L40-T44 WeakPolarHBondContact CD1-OG1 3.49Å; L40-T44 WeakPolarHBondContact CG-OG1 3.47Å; R41-T44 HydrophobicContact CB-CG2 4.39Å; R41-T44 WeakPolarHBondContact O-CA 3.36Å; R41-T44 WeakPolarHBondContact O-CB 3.37Å; R41-T44 PolarHBondContact O-N 3.07Å; R41-T44 PolarHBondContact O-OG1 2.92Å; T44-L47 PolarHBondContact O-N 3.43Å; T44-V48 VanDerWaalsContact O-CG2 3.28Å; T44-V48 WeakPolarHBondContact O-CG2 3.28Å; T44-V48 PolarHBondContact O-N 3.38Å |
| 45 | L | 80.6 | Confident | 76.9 | Confident | 65 Ų | 65 | 97.7 Ų | 97.7 | 34% | 0.34 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 173 | -75.6 | 172.5 | 0 | 0 | 0 | 111.9 | L40 R41 L42 L47 V48 K49 | L40-L45 HydrophobicContact CD2-CD1 4.35Å; L40-L45 HydrophobicContact CD2-CD2 3.49Å; L40-L45 VanDerWaalsContact CD2-CD2 3.49Å; L40-L45 HydrophobicContact CD2-CG 3.77Å; L40-L45 HydrophobicContact CG-CD2 4.36Å; L40-L45 HydrophobicContact CG-CG 4.13Å; R41-L45 PolarHBondContact O-N 3.1Å; L42-L45 PolarHBondContact O-N 3.11Å; L45-L47 VanDerWaalsContact C-N 3.33Å; L45-V48 PolarHBondContact O-N 3.39Å; L45-K49 WeakPolarHBondContact O-CB 3.43Å; L45-K49 PolarHBondContact O-N 2.92Å |
| 46 | Q | 83.4 | Confident | 78.8 | Confident | 95 Ų | 95 | 98.8 Ų | 98.8 | 44% | 0.444 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 176.3 | -169.1 | 66.6 | 8.3 | 0 | 0 | 111.7 | L42 S43 K49 N50 | L42-Q46 WeakPolarHBondContact O-CB 3.17Å; L42-Q46 PolarHBondContact O-N 2.84Å; S43-Q46 PolarHBondContact O-N 2.82Å; Q46-K49 PolarHBondContact O-N 2.87Å; Q46-N50 WeakPolarHBondContact O-CB 3.26Å; Q46-N50 PolarHBondContact O-N 3.26Å; Q46-N50 PolarHBondContact O-OD1 3.47Å |
| 47 | L | 89 | Confident | 80.9 | Confident | 94 Ų | 94 | 96.3 Ų | 96.3 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 174.7 | -176.1 | 61.5 | 0 | 0 | 0 | 110.8 | S43 T44 L45 K49 N50 H51 | S43-L47 WeakPolarHBondContact O-CB 3.44Å; S43-L47 PolarHBondContact O-N 3.19Å; T44-L47 PolarHBondContact O-N 3.43Å; L45-L47 VanDerWaalsContact C-N 3.33Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.2Å; L47-N50 PolarHBondContact O-N 2.84Å; L47-H51 WeakPolarHBondContact CD1-NE2 3.45Å; L47-H51 PolarHBondContact O-CD2 3.34Å; L47-H51 PolarHBondContact O-N 2.95Å |
| 48 | V | 89.6 | Confident | 82.8 | Confident | 84 Ų | 84 | 101.2 Ų | 101.2 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.2 | -46 | 174.9 | 171 | 0 | 0 | 0 | 0 | 110.6 | T44 L45 N50 H51 M52 | T44-V48 VanDerWaalsContact O-CG2 3.28Å; T44-V48 WeakPolarHBondContact O-CG2 3.28Å; T44-V48 PolarHBondContact O-N 3.38Å; L45-V48 PolarHBondContact O-N 3.39Å; V48-N50 VanDerWaalsContact C-N 3.33Å; V48-N50 PolarHBondContact O-N 3.38Å; V48-H51 PolarHBondContact O-N 3.35Å; V48-M52 HydrophobicContact CG1-CG 4.24Å; V48-M52 WeakPolarHBondContact O-CB 3.49Å; V48-M52 VanDerWaalsContact O-CG 3.26Å; V48-M52 WeakPolarHBondContact O-CG 3.44Å; V48-M52 PolarHBondContact O-N 3.42Å |
| 49 | K | 89.2 | Confident | 84.4 | Confident | 139 Ų | 139 | 99.3 Ų | 99.3 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.7 | -43.4 | 176.8 | -173 | 178.8 | 178.6 | -179.9 | 0 | 112.2 | L45 Q46 L47 M52 A53 | L45-K49 WeakPolarHBondContact O-CB 3.43Å; L45-K49 PolarHBondContact O-N 2.92Å; Q46-K49 PolarHBondContact O-N 2.87Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.2Å; K49-M52 PolarHBondContact O-N 2.99Å; K49-A53 WeakPolarHBondContact O-CB 3.49Å; K49-A53 PolarHBondContact O-N 3.45Å |
| 50 | N | 93.3 | Very high | 86.1 | Confident | 84 Ų | 84 | 101.3 Ų | 101.3 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 177.3 | -71.3 | -7.4 | 0 | 0 | 0 | 111.7 | Q46 L47 V48 M52 A53 V54 | Q46-N50 WeakPolarHBondContact O-CB 3.26Å; Q46-N50 PolarHBondContact O-N 3.26Å; Q46-N50 PolarHBondContact O-OD1 3.47Å; L47-N50 PolarHBondContact O-N 2.84Å; V48-N50 VanDerWaalsContact C-N 3.33Å; V48-N50 PolarHBondContact O-N 3.38Å; N50-M52 VanDerWaalsContact C-N 3.34Å; N50-M52 PolarHBondContact O-N 3.13Å; N50-A53 PolarHBondContact O-N 3.37Å; N50-V54 WeakPolarHBondContact O-CG2 3.44Å; N50-V54 PolarHBondContact O-N 3.16Å |
| 51 | H | 94.9 | Very high | 87.7 | Confident | 122 Ų | 122 | 102 Ų | 102 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.7 | -41.4 | 175.4 | -79.7 | -72.6 | 0 | 0 | 0 | 112.1 | L47 V48 V54 H55 | L47-H51 WeakPolarHBondContact CD1-NE2 3.45Å; L47-H51 PolarHBondContact O-CD2 3.34Å; L47-H51 PolarHBondContact O-N 2.95Å; V48-H51 PolarHBondContact O-N 3.35Å; H51-V54 PolarHBondContact O-N 3.39Å; H51-H55 VanDerWaalsContact O-CB 3.27Å; H51-H55 WeakPolarHBondContact O-CB 3.43Å; H51-H55 PolarHBondContact O-N 3.14Å |
| 52 | M | 95 | Very high | 88.7 | Confident | 74 Ų | 74 | 96.2 Ų | 96.2 | 37% | 0.365 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 175.3 | -70.7 | -50.5 | -52.2 | 0 | 0 | 111.5 | V48 K49 N50 V54 H55 Y56 | V48-M52 HydrophobicContact CG1-CG 4.24Å; V48-M52 WeakPolarHBondContact O-CB 3.49Å; V48-M52 VanDerWaalsContact O-CG 3.26Å; V48-M52 WeakPolarHBondContact O-CG 3.44Å; V48-M52 PolarHBondContact O-N 3.42Å; K49-M52 PolarHBondContact O-N 2.99Å; N50-M52 VanDerWaalsContact C-N 3.34Å; N50-M52 PolarHBondContact O-N 3.13Å; M52-V54 PolarHBondContact O-N 3.04Å; M52-H55 PolarHBondContact O-N 3.46Å; M52-Y56 HydrophobicContact CB-CD2 4.48Å; M52-Y56 HydrophobicContact CB-CE2 4.41Å; M52-Y56 HydrophobicContact CE-CD2 3.94Å; M52-Y56 HydrophobicContact CE-CE2 3.13Å; M52-Y56 VanDerWaalsContact CE-CZ 3.48Å; M52-Y56 WeakPolarHBondContact CE-OH 3.36Å; M52-Y56 WeakPolarHBondContact O-CD2 3.45Å; M52-Y56 PolarHBondContact O-N 2.86Å |
| 53 | A | 94.5 | Very high | 89.5 | Confident | 47 Ų | 47 | 98.9 Ų | 98.9 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K49 N50 H55 N57 | K49-A53 WeakPolarHBondContact O-CB 3.49Å; K49-A53 PolarHBondContact O-N 3.45Å; N50-A53 PolarHBondContact O-N 3.37Å; A53-H55 PolarHBondContact O-N 3.5Å; A53-N57 VanDerWaalsContact O-CB 3.25Å; A53-N57 WeakPolarHBondContact O-CB 3.4Å; A53-N57 PolarHBondContact O-N 3.27Å; A53-N57 PolarHBondContact O-ND2 3.5Å |
| 54 | V | 95.1 | Very high | 89.7 | Confident | 79 Ų | 79 | 98.9 Ų | 98.9 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | N50 H51 M52 N57 K58 | N50-V54 WeakPolarHBondContact O-CG2 3.44Å; N50-V54 PolarHBondContact O-N 3.16Å; H51-V54 PolarHBondContact O-N 3.39Å; M52-V54 PolarHBondContact O-N 3.04Å; V54-N57 PolarHBondContact O-N 3.19Å; V54-K58 HydrophobicContact CG1-CD 4.41Å; V54-K58 WeakPolarHBondContact O-CB 3.36Å; V54-K58 WeakPolarHBondContact O-CG 3.4Å; V54-K58 PolarHBondContact O-N 3.01Å |
| 55 | H | 95.3 | Very high | 89.5 | Confident | 98 Ų | 98 | 101.5 Ų | 101.5 | 45% | 0.454 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.4 | -49.2 | 178.5 | 177.5 | 62 | 0 | 0 | 0 | 111.9 | H51 M52 A53 K58 I59 | H51-H55 VanDerWaalsContact O-CB 3.27Å; H51-H55 WeakPolarHBondContact O-CB 3.43Å; H51-H55 PolarHBondContact O-N 3.14Å; M52-H55 PolarHBondContact O-N 3.46Å; A53-H55 PolarHBondContact O-N 3.5Å; H55-K58 WeakPolarHBondContact O-CB 3.42Å; H55-K58 PolarHBondContact O-N 3.49Å; H55-I59 VanDerWaalsContact NE2-CD1 3.31Å; H55-I59 WeakPolarHBondContact NE2-CD1 3.41Å; H55-I59 WeakPolarHBondContact O-CG1 3.25Å; H55-I59 PolarHBondContact O-N 3.28Å |
| 56 | Y | 95.4 | Very high | 89.5 | Confident | 130 Ų | 130 | 103.6 Ų | 103.6 | 51% | 0.51 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.3 | -37.9 | 177.5 | -71.8 | -57.6 | 0 | 0 | 0 | 112.3 | M52 K58 I59 L60 | M52-Y56 HydrophobicContact CB-CD2 4.48Å; M52-Y56 HydrophobicContact CB-CE2 4.41Å; M52-Y56 HydrophobicContact CE-CD2 3.94Å; M52-Y56 HydrophobicContact CE-CE2 3.13Å; M52-Y56 VanDerWaalsContact CE-CZ 3.48Å; M52-Y56 WeakPolarHBondContact CE-OH 3.36Å; M52-Y56 WeakPolarHBondContact O-CD2 3.45Å; M52-Y56 PolarHBondContact O-N 2.86Å; Y56-K58 VanDerWaalsContact C-N 3.3Å; Y56-K58 PolarHBondContact O-N 3.41Å; Y56-I59 HydrophobicContact CD1-CD1 4.2Å; Y56-I59 PolarHBondContact O-N 2.95Å; Y56-L60 WeakPolarHBondContact O-CB 3.45Å; Y56-L60 VanDerWaalsContact O-CG 3.25Å; Y56-L60 WeakPolarHBondContact O-CG 3.27Å; Y56-L60 PolarHBondContact O-N 2.91Å |
| 57 | N | 93.9 | Very high | 89.2 | Confident | 101 Ų | 101 | 105.2 Ų | 105.2 | 54% | 0.54 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.8 | -39.1 | 172.3 | -74.1 | -21.2 | 0 | 0 | 0 | 111.6 | A53 V54 L60 S61 | A53-N57 VanDerWaalsContact O-CB 3.25Å; A53-N57 WeakPolarHBondContact O-CB 3.4Å; A53-N57 PolarHBondContact O-N 3.27Å; A53-N57 PolarHBondContact O-ND2 3.5Å; V54-N57 PolarHBondContact O-N 3.19Å; N57-L60 PolarHBondContact O-N 2.89Å; N57-S61 WeakPolarHBondContact O-CB 3.13Å; N57-S61 PolarHBondContact O-N 3.31Å; N57-S61 PolarHBondContact O-OG 3.42Å |
| 58 | K | 93.7 | Very high | 88.8 | Confident | 143 Ų | 143 | 106.3 Ų | 106.3 | 62% | 0.622 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.9 | -43.9 | 172.9 | -82 | 179.9 | 177.4 | -178 | 0 | 111.9 | V54 H55 Y56 S61 A62 | V54-K58 HydrophobicContact CG1-CD 4.41Å; V54-K58 WeakPolarHBondContact O-CB 3.36Å; V54-K58 WeakPolarHBondContact O-CG 3.4Å; V54-K58 PolarHBondContact O-N 3.01Å; H55-K58 WeakPolarHBondContact O-CB 3.42Å; H55-K58 PolarHBondContact O-N 3.49Å; Y56-K58 VanDerWaalsContact C-N 3.3Å; Y56-K58 PolarHBondContact O-N 3.41Å; K58-S61 WeakPolarHBondContact CA-OG 3.31Å; K58-S61 PolarHBondContact O-N 2.91Å; K58-S61 PolarHBondContact O-OG 2.92Å; K58-A62 WeakPolarHBondContact O-CB 3.36Å; K58-A62 PolarHBondContact O-N 2.97Å |
| 59 | I | 91.2 | Very high | 88.5 | Confident | 90 Ų | 90 | 105.9 Ų | 105.9 | 46% | 0.462 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.1 | -44.8 | 176.8 | -67 | 165.6 | 0 | 0 | 0 | 111.2 | H55 Y56 A62 | H55-I59 VanDerWaalsContact NE2-CD1 3.31Å; H55-I59 WeakPolarHBondContact NE2-CD1 3.41Å; H55-I59 WeakPolarHBondContact O-CG1 3.25Å; H55-I59 PolarHBondContact O-N 3.28Å; Y56-I59 HydrophobicContact CD1-CD1 4.2Å; Y56-I59 PolarHBondContact O-N 2.95Å; I59-A62 VanDerWaalsContact O-CB 3.23Å; I59-A62 WeakPolarHBondContact O-CB 3.17Å; I59-A62 PolarHBondContact O-N 3.47Å |
| 60 | L | 90.9 | Very high | 88.3 | Confident | 144 Ų | 144 | 103.2 Ų | 103.2 | 75% | 0.754 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.6 | -34.9 | 180 | -69 | 171.1 | 0 | 0 | 0 | 112.3 | Y56 N57 A62 | Y56-L60 WeakPolarHBondContact O-CB 3.45Å; Y56-L60 VanDerWaalsContact O-CG 3.25Å; Y56-L60 WeakPolarHBondContact O-CG 3.27Å; Y56-L60 PolarHBondContact O-N 2.91Å; N57-L60 PolarHBondContact O-N 2.89Å; L60-A62 VanDerWaalsContact C-N 3.28Å |
| 61 | S | 88.6 | Confident | 88 | Confident | 89 Ų | 89 | 102.9 Ų | 102.9 | 62% | 0.622 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -79.6 | -9.9 | 174 | 73.7 | 0 | 0 | 0 | 0 | 113.3 | N57 K58 K63 | N57-S61 WeakPolarHBondContact O-CB 3.13Å; N57-S61 PolarHBondContact O-N 3.31Å; N57-S61 PolarHBondContact O-OG 3.42Å; K58-S61 WeakPolarHBondContact CA-OG 3.31Å; K58-S61 PolarHBondContact O-N 2.91Å; K58-S61 PolarHBondContact O-OG 2.92Å; S61-K63 PolarHBondContact O-N 3.48Å |
| 62 | A | 87.6 | Confident | 87.5 | Confident | 68 Ų | 68 | 102.9 Ų | 102.9 | 56% | 0.562 | 60% | 0.599 | S | S | * | * | trans | -66.3 | 107 | -178.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | K58 I59 L60 A64 | K58-A62 WeakPolarHBondContact O-CB 3.36Å; K58-A62 PolarHBondContact O-N 2.97Å; I59-A62 VanDerWaalsContact O-CB 3.23Å; I59-A62 WeakPolarHBondContact O-CB 3.17Å; I59-A62 PolarHBondContact O-N 3.47Å; L60-A62 VanDerWaalsContact C-N 3.28Å; A62-A64 PolarHBondContact O-N 3.19Å | ||
| 63 | K | 84.2 | Confident | 87.1 | Confident | 198 Ų | 198 | 103.5 Ų | 103.5 | 86% | 0.861 | 61% | 0.611 | S | S | * | * | trans | -74.8 | 127.8 | 174.3 | -157.9 | 161.8 | -175.1 | 167.7 | 0 | 107.9 | S61 A65 | S61-K63 PolarHBondContact O-N 3.48Å; K63-A65 PolarHBondContact O-N 3.21Å; K63-A65 VanDerWaalsContact O-N 3.1Å | ||
| 64 | A | 79.3 | Confident | 86.7 | Confident | 80 Ų | 80 | 104 Ų | 104 | 66% | 0.661 | 61% | 0.605 | S | S | * | * | trans | -57 | 119.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | A62 V66 | A62-A64 PolarHBondContact O-N 3.19Å; A64-V66 PolarHBondContact O-N 3.31Å | ||
| 65 | A | 75.5 | Confident | 86.1 | Confident | 107 Ų | 107 | 104.7 Ų | 104.7 | 88% | 0.884 | 61% | 0.614 | S | S | * | * | trans | -77.2 | 27.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | K63 D67 | K63-A65 PolarHBondContact O-N 3.21Å; K63-A65 VanDerWaalsContact O-N 3.1Å; A65-D67 PolarHBondContact O-N 3.07Å | ||
| 66 | V | 79 | Confident | 85.7 | Confident | 109 Ų | 109 | 104 Ų | 104 | 66% | 0.661 | 63% | 0.625 | S | S | * | * | trans | -87.9 | 107.6 | 173.6 | -176.1 | 0 | 0 | 0 | 0 | 106.4 | A64 C68 | A64-V66 PolarHBondContact O-N 3.31Å; V66-C68 PolarHBondContact O-N 2.61Å | ||
| 67 | D | 78.9 | Confident | 85.6 | Confident | 129 Ų | 129 | 99.7 Ų | 99.7 | 69% | 0.69 | 61% | 0.614 | S | S | * | * | trans | -70 | 94.3 | 176 | -173.2 | 8.1 | 0 | 0 | 0 | 109.6 | A65 S69 | A65-D67 PolarHBondContact O-N 3.07Å; D67-S69 WeakPolarHBondContact OD1-CA 3.32Å; D67-S69 WeakPolarHBondContact OD1-CB 3.42Å; D67-S69 PolarHBondContact OD1-N 2.94Å; D67-S69 PolarHBondContact OD1-OG 3.12Å; D67-S69 PolarHBondContact OD2-OG 3.17Å | ||
| 68 | C | 80.8 | Confident | 85.6 | Confident | 118 Ų | 118 | 100.3 Ų | 100.3 | 80% | 0.797 | 62% | 0.621 | S | S | * | * | trans | -86.1 | 7.2 | 170.8 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | V66 | V66-C68 PolarHBondContact O-N 2.61Š| ||
| 69 | S | 81.9 | Confident | 85.6 | Confident | 75 Ų | 75 | 102 Ų | 102 | 52% | 0.524 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -68.4 | 151.1 | 176.2 | 79.1 | 0 | 0 | 0 | 0 | 110.2 | D67 | D67-S69 WeakPolarHBondContact OD1-CA 3.32Å; D67-S69 WeakPolarHBondContact OD1-CB 3.42Å; D67-S69 PolarHBondContact OD1-N 2.94Å; D67-S69 PolarHBondContact OD1-OG 3.12Å; D67-S69 PolarHBondContact OD2-OG 3.17Å |
| 70 | V | 84.8 | Confident | 85.7 | Confident | 83 Ų | 83 | 101.4 Ų | 101.4 | 50% | 0.503 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 129.6 | 176.8 | 166.9 | 0 | 0 | 0 | 0 | 108.5 | V72 M74 | V70-V72 PolarHBondContact O-N 3.14Å; V70-M74 HydrophobicContact CB-CE 4.06Å; V70-M74 HydrophobicContact CG1-CB 3.64Å; V70-M74 HydrophobicContact CG1-CE 3.15Å; V70-M74 HydrophobicContact CG1-CG 4.03Å; V70-M74 HydrophobicContact CG1-SD 3.83Å; V70-M74 HydrophobicContact CG2-CE 3.73Å |
| 71 | P | 87.7 | Confident | 85.8 | Confident | 77 Ų | 77 | 96.4 Ų | 96.4 | 50% | 0.5 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 136.4 | 179.1 | 23.1 | -32.4 | 0 | 0 | 0 | 109.7 | S73 M74 | P71-S73 PolarHBondContact O-N 3.21Å; P71-M74 HydrophobicContact CG-CB 4.19Å; P71-M74 VanDerWaalsContact O-CB 3.23Å; P71-M74 WeakPolarHBondContact O-CB 3.41Å; P71-M74 PolarHBondContact O-N 3.04Å |
| 72 | V | 83.6 | Confident | 86.1 | Confident | 121 Ų | 121 | 94.4 Ų | 94.4 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -55.8 | -31.7 | -176.4 | -179 | 0 | 0 | 0 | 0 | 111.7 | V70 M74 S75 A76 | V70-V72 PolarHBondContact O-N 3.14Å; V72-M74 PolarHBondContact O-N 3.01Å; V72-S75 WeakPolarHBondContact O-CB 3.23Å; V72-S75 PolarHBondContact O-N 3.42Å; V72-S75 PolarHBondContact O-OG 3.24Å; V72-A76 PolarHBondContact O-N 3.21Å |
| 73 | S | 86.8 | Confident | 86.5 | Confident | 88 Ų | 88 | 95.6 Ų | 95.6 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58.8 | -29 | 174.2 | 58 | 0 | 0 | 0 | 0 | 113.8 | P71 A76 S77 | P71-S73 PolarHBondContact O-N 3.21Å; S73-A76 PolarHBondContact O-N 2.96Å; S73-S77 PolarHBondContact O-N 3.02Å |
| 74 | M | 87.4 | Confident | 86.9 | Confident | 56 Ų | 56 | 91.2 Ų | 91.2 | 28% | 0.276 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.6 | -33.1 | 176.5 | -165.3 | 167.2 | 100.6 | 0 | 0 | 111.6 | V70 P71 V72 S77 Y80 | V70-M74 HydrophobicContact CB-CE 4.06Å; V70-M74 HydrophobicContact CG1-CB 3.64Å; V70-M74 HydrophobicContact CG1-CE 3.15Å; V70-M74 HydrophobicContact CG1-CG 4.03Å; V70-M74 HydrophobicContact CG1-SD 3.83Å; V70-M74 HydrophobicContact CG2-CE 3.73Å; P71-M74 HydrophobicContact CG-CB 4.19Å; P71-M74 VanDerWaalsContact O-CB 3.23Å; P71-M74 WeakPolarHBondContact O-CB 3.41Å; P71-M74 PolarHBondContact O-N 3.04Å; V72-M74 PolarHBondContact O-N 3.01Å; M74-S77 WeakPolarHBondContact O-CB 3.12Å; M74-S77 PolarHBondContact O-N 2.8Å; M74-Y80 HydrophobicContact CE-CD1 4.43Å; M74-Y80 HydrophobicContact CE-CD2 4.28Å; M74-Y80 HydrophobicContact CE-CE1 3.77Å; M74-Y80 HydrophobicContact CE-CE2 3.62Å; M74-Y80 WeakPolarHBondContact CE-OH 3.25Å; M74-Y80 HydrophobicContact CG-CD1 3.77Å; M74-Y80 HydrophobicContact CG-CD2 3.94Å; M74-Y80 HydrophobicContact CG-CE1 4.07Å; M74-Y80 HydrophobicContact CG-CE2 4.24Å; M74-Y80 HydrophobicContact CG-CG 3.7Å; M74-Y80 WeakPolarHBondContact O-CD1 3.38Å; M74-Y80 HydrophobicContact SD-CD2 4.22Å; M74-Y80 HydrophobicContact SD-CE2 4.08Å |
| 75 | S | 81.8 | Confident | 87.7 | Confident | 95 Ų | 95 | 93.9 Ų | 93.9 | 66% | 0.664 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.2 | -32.1 | 176.1 | 74.6 | 0 | 0 | 0 | 0 | 113 | V72 | V72-S75 WeakPolarHBondContact O-CB 3.23Å; V72-S75 PolarHBondContact O-N 3.42Å; V72-S75 PolarHBondContact O-OG 3.24Å |
| 76 | A | 86.1 | Confident | 88.7 | Confident | 82 Ų | 82 | 96.5 Ų | 96.5 | 68% | 0.678 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -6.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V72 S73 V78 | V72-A76 PolarHBondContact O-N 3.21Å; S73-A76 PolarHBondContact O-N 2.96Å; A76-V78 PolarHBondContact O-N 2.91Å |
| 77 | S | 93.1 | Very high | 89.5 | Confident | 41 Ų | 41 | 94.6 Ų | 94.6 | 29% | 0.287 | 52% | 0.523 | S | S | . | . | trans | -76.3 | 116 | -175.6 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | S73 M74 K79 Y80 A81 | S73-S77 PolarHBondContact O-N 3.02Å; M74-S77 WeakPolarHBondContact O-CB 3.12Å; M74-S77 PolarHBondContact O-N 2.8Å; S77-K79 PolarHBondContact O-N 3.49Å; S77-K79 PolarHBondContact OG-N 3.21Å; S77-Y80 PolarHBondContact O-N 3.42Å; S77-Y80 PolarHBondContact OG-N 3.2Å; S77-A81 PolarHBondContact O-N 3.42Å | ||
| 78 | V | 94.1 | Very high | 90.3 | Very high | 113 Ų | 113 | 95.1 Ų | 95.1 | 69% | 0.685 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59 | -35.2 | 173.6 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | A76 A81 D82 | A76-V78 PolarHBondContact O-N 2.91Å; V78-A81 PolarHBondContact O-N 2.92Å; V78-D82 WeakPolarHBondContact O-CB 3.38Å; V78-D82 PolarHBondContact O-N 3.18Å |
| 79 | K | 94.6 | Very high | 91 | Very high | 179 Ų | 179 | 95 Ų | 95 | 78% | 0.778 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 178.3 | -68.2 | -176.4 | 178.1 | 179.6 | 0 | 111.6 | S77 D82 Q83 | S77-K79 PolarHBondContact O-N 3.49Å; S77-K79 PolarHBondContact OG-N 3.21Å; K79-D82 PolarHBondContact O-N 2.97Å; K79-Q83 WeakPolarHBondContact O-CB 3.06Å; K79-Q83 PolarHBondContact O-N 3.1Å |
| 80 | Y | 92.8 | Very high | 91.6 | Very high | 77 Ų | 77 | 97 Ų | 97 | 30% | 0.302 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.9 | -41.5 | 179.2 | -176.2 | -110.7 | 0 | 0 | 0 | 111.6 | M74 S77 D82 Q83 Q84 | M74-Y80 HydrophobicContact CE-CD1 4.43Å; M74-Y80 HydrophobicContact CE-CD2 4.28Å; M74-Y80 HydrophobicContact CE-CE1 3.77Å; M74-Y80 HydrophobicContact CE-CE2 3.62Å; M74-Y80 WeakPolarHBondContact CE-OH 3.25Å; M74-Y80 HydrophobicContact CG-CD1 3.77Å; M74-Y80 HydrophobicContact CG-CD2 3.94Å; M74-Y80 HydrophobicContact CG-CE1 4.07Å; M74-Y80 HydrophobicContact CG-CE2 4.24Å; M74-Y80 HydrophobicContact CG-CG 3.7Å; M74-Y80 WeakPolarHBondContact O-CD1 3.38Å; M74-Y80 HydrophobicContact SD-CD2 4.22Å; M74-Y80 HydrophobicContact SD-CE2 4.08Å; S77-Y80 PolarHBondContact O-N 3.42Å; S77-Y80 PolarHBondContact OG-N 3.2Å; Y80-D82 VanDerWaalsContact C-N 3.33Å; Y80-D82 PolarHBondContact O-N 3.03Å; Y80-Q83 WeakPolarHBondContact O-CB 3.46Å; Y80-Q83 PolarHBondContact O-N 3.36Å; Y80-Q84 HydrophobicContact CE1-CG 4.24Å; Y80-Q84 PolarHBondContact O-N 3.46Å; Y80-Q84 PolarHBondContact OH-NE2 2.89Å |
| 81 | A | 93.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 99.8 Ų | 99.8 | 32% | 0.322 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S77 V78 Q84 R85 | S77-A81 PolarHBondContact O-N 3.42Å; V78-A81 PolarHBondContact O-N 2.92Å; A81-Q84 PolarHBondContact O-N 2.81Å; A81-R85 WeakPolarHBondContact O-CG 3.36Å; A81-R85 PolarHBondContact O-N 3.39Å |
| 82 | D | 96.1 | Very high | 92.5 | Very high | 47 Ų | 47 | 100.4 Ų | 100.4 | 25% | 0.251 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 176.1 | -161.1 | 61 | 0 | 0 | 0 | 112.3 | V78 K79 Y80 Q84 R85 R86 | V78-D82 WeakPolarHBondContact O-CB 3.38Å; V78-D82 PolarHBondContact O-N 3.18Å; K79-D82 PolarHBondContact O-N 2.97Å; Y80-D82 VanDerWaalsContact C-N 3.33Å; Y80-D82 PolarHBondContact O-N 3.03Å; D82-Q84 PolarHBondContact O-N 2.99Å; D82-R85 PolarHBondContact O-N 3.17Å; D82-R85 IonicContact OD1-CZ 2.75Å; D82-R85 IonicContact OD1-NE 2.85Å; D82-R85 IonicContact OD1-NH2 3.61Å; D82-R85 PolarHBondContact OD1-NH2 2.57Å; D82-R86 WeakPolarHBondContact O-CG 3.31Å; D82-R86 PolarHBondContact O-N 3.5Å; D82-R86 IonicContact OD2-CZ 2.8Å; D82-R86 IonicContact OD2-NE 3.75Å; D82-R86 PolarHBondContact OD2-NE 2.97Å; D82-R86 IonicContact OD2-NH2 3.67Å; D82-R86 PolarHBondContact OD2-NH2 2.92Å |
| 83 | Q | 95.4 | Very high | 93 | Very high | 94 Ų | 94 | 100.6 Ų | 100.6 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 173.8 | -174.7 | 176.2 | 13.6 | 0 | 0 | 111.5 | K79 Y80 R85 R86 E87 | K79-Q83 WeakPolarHBondContact O-CB 3.06Å; K79-Q83 PolarHBondContact O-N 3.1Å; Y80-Q83 WeakPolarHBondContact O-CB 3.46Å; Y80-Q83 PolarHBondContact O-N 3.36Å; Q83-R85 VanDerWaalsContact C-N 3.32Å; Q83-R85 PolarHBondContact O-N 3.06Å; Q83-R86 PolarHBondContact O-N 2.91Å; Q83-E87 WeakPolarHBondContact O-CG 3.47Å; Q83-E87 PolarHBondContact O-N 2.87Å |
| 84 | Q | 93.3 | Very high | 93.3 | Very high | 106 Ų | 106 | 98.4 Ų | 98.4 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 176.1 | -72.8 | -165 | 3 | 0 | 0 | 112.6 | Y80 A81 D82 E87 K88 | Y80-Q84 HydrophobicContact CE1-CG 4.24Å; Y80-Q84 PolarHBondContact O-N 3.46Å; Y80-Q84 PolarHBondContact OH-NE2 2.89Å; A81-Q84 PolarHBondContact O-N 2.81Å; D82-Q84 PolarHBondContact O-N 2.99Å; Q84-E87 PolarHBondContact O-N 2.74Å; Q84-K88 WeakPolarHBondContact O-CB 3.45Å; Q84-K88 PolarHBondContact O-N 3.34Å |
| 85 | R | 95.6 | Very high | 93.5 | Very high | 135 Ų | 135 | 103.4 Ų | 103.4 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 175 | -74.9 | -170.6 | -62.9 | -111.5 | 1.2 | 111.8 | A81 D82 Q83 K88 L89 | A81-R85 WeakPolarHBondContact O-CG 3.36Å; A81-R85 PolarHBondContact O-N 3.39Å; D82-R85 PolarHBondContact O-N 3.17Å; D82-R85 IonicContact OD1-CZ 2.75Å; D82-R85 IonicContact OD1-NE 2.85Å; D82-R85 IonicContact OD1-NH2 3.61Å; D82-R85 PolarHBondContact OD1-NH2 2.57Å; Q83-R85 VanDerWaalsContact C-N 3.32Å; Q83-R85 PolarHBondContact O-N 3.06Å; R85-K88 PolarHBondContact O-N 3.32Å; R85-L89 WeakPolarHBondContact O-CG 3.23Å; R85-L89 PolarHBondContact O-N 3.34Å |
| 86 | R | 95.9 | Very high | 93.6 | Very high | 163 Ų | 163 | 102.2 Ų | 102.2 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 177.4 | -68.2 | 178.1 | -164.6 | -155.1 | 2.9 | 111.7 | D82 Q83 K88 L89 K90 | D82-R86 WeakPolarHBondContact O-CG 3.31Å; D82-R86 PolarHBondContact O-N 3.5Å; D82-R86 IonicContact OD2-CZ 2.8Å; D82-R86 IonicContact OD2-NE 3.75Å; D82-R86 PolarHBondContact OD2-NE 2.97Å; D82-R86 IonicContact OD2-NH2 3.67Å; D82-R86 PolarHBondContact OD2-NH2 2.92Å; Q83-R86 PolarHBondContact O-N 2.91Å; R86-K88 VanDerWaalsContact C-N 3.35Å; R86-K88 PolarHBondContact O-N 3.23Å; R86-L89 PolarHBondContact O-N 2.99Å; R86-K90 WeakPolarHBondContact O-CB 3.01Å; R86-K90 PolarHBondContact O-N 2.64Å |
| 87 | E | 95.1 | Very high | 93.7 | Very high | 68 Ų | 68 | 103.2 Ų | 103.2 | 32% | 0.318 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 176.2 | -73.8 | -59.8 | 139.8 | 0 | 0 | 112.1 | Q83 Q84 K90 K91 | Q83-E87 WeakPolarHBondContact O-CG 3.47Å; Q83-E87 PolarHBondContact O-N 2.87Å; Q84-E87 PolarHBondContact O-N 2.74Å; E87-K90 PolarHBondContact O-N 3.3Å; E87-K91 WeakPolarHBondContact O-CG 3.42Å; E87-K91 PolarHBondContact O-N 3.32Å |
| 88 | K | 95.9 | Very high | 93.5 | Very high | 141 Ų | 141 | 108.1 Ų | 108.1 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.1 | -47.8 | 173.4 | -170.9 | 177.8 | -179.4 | -179.4 | 0 | 111.1 | Q84 R85 R86 K90 K91 E92 | Q84-K88 WeakPolarHBondContact O-CB 3.45Å; Q84-K88 PolarHBondContact O-N 3.34Å; R85-K88 PolarHBondContact O-N 3.32Å; R86-K88 VanDerWaalsContact C-N 3.35Å; R86-K88 PolarHBondContact O-N 3.23Å; K88-K90 VanDerWaalsContact C-N 3.32Å; K88-K90 PolarHBondContact O-N 3.17Å; K88-K91 WeakPolarHBondContact O-CB 3.13Å; K88-K91 PolarHBondContact O-N 3.3Å; K88-K91 VanDerWaalsContact O-N 3.16Å; K88-E92 WeakPolarHBondContact O-CG 3.45Å; K88-E92 PolarHBondContact O-N 3.43Å |
| 89 | L | 95.4 | Very high | 92.9 | Very high | 114 Ų | 114 | 108.4 Ų | 108.4 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.3 | -41.1 | 176.7 | -73 | 173.3 | 0 | 0 | 0 | 112.1 | R85 R86 K91 E92 L93 | R85-L89 WeakPolarHBondContact O-CG 3.23Å; R85-L89 PolarHBondContact O-N 3.34Å; R86-L89 PolarHBondContact O-N 2.99Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3.16Å; L89-E92 PolarHBondContact O-N 3.06Å; L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 WeakPolarHBondContact O-CG 3.4Å; L89-L93 PolarHBondContact O-N 3.5Å |
| 90 | K | 95.6 | Very high | 92.1 | Very high | 119 Ų | 119 | 106.4 Ų | 106.4 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 175.4 | -172.4 | -180 | 179.1 | -176.2 | 0 | 111.6 | R86 E87 K88 A94 | R86-K90 WeakPolarHBondContact O-CB 3.01Å; R86-K90 PolarHBondContact O-N 2.64Å; E87-K90 PolarHBondContact O-N 3.3Å; K88-K90 VanDerWaalsContact C-N 3.32Å; K88-K90 PolarHBondContact O-N 3.17Å; K90-A94 WeakPolarHBondContact O-CB 3.38Å; K90-A94 PolarHBondContact O-N 3.08Å |
| 91 | K | 95.1 | Very high | 91.4 | Very high | 140 Ų | 140 | 108.2 Ų | 108.2 | 61% | 0.609 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -42.7 | 175.4 | -72.8 | 176.1 | -177.9 | -177.2 | 0 | 112.3 | E87 K88 L89 A94 R95 | E87-K91 WeakPolarHBondContact O-CG 3.42Å; E87-K91 PolarHBondContact O-N 3.32Å; K88-K91 WeakPolarHBondContact O-CB 3.13Å; K88-K91 PolarHBondContact O-N 3.3Å; K88-K91 VanDerWaalsContact O-N 3.16Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3.16Å; K91-A94 PolarHBondContact O-N 3.45Å; K91-R95 WeakPolarHBondContact O-CG 3.22Å; K91-R95 PolarHBondContact O-N 3.19Å |
| 92 | E | 94.9 | Very high | 90.4 | Very high | 91 Ų | 91 | 112.3 Ų | 112.3 | 43% | 0.425 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 175.9 | -67 | -55.8 | 149.9 | 0 | 0 | 111.5 | K88 L89 A94 R95 C96 | K88-E92 WeakPolarHBondContact O-CG 3.45Å; K88-E92 PolarHBondContact O-N 3.43Å; L89-E92 PolarHBondContact O-N 3.06Å; E92-A94 VanDerWaalsContact C-N 3.33Å; E92-A94 PolarHBondContact O-N 3.23Å; E92-R95 WeakPolarHBondContact O-CB 3.42Å; E92-R95 PolarHBondContact O-N 2.82Å; E92-R95 VanDerWaalsContact O-N 3.1Å; E92-C96 PolarHBondContact O-N 2.75Å; E92-C96 PolarHBondContact O-SG 3.39Å |
| 93 | L | 94.6 | Very high | 89 | Confident | 125 Ų | 125 | 113.7 Ų | 113.7 | 65% | 0.654 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | 175.2 | -73.9 | -178.5 | 0 | 0 | 0 | 111.9 | L89 R95 C96 E97 | L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 WeakPolarHBondContact O-CG 3.4Å; L89-L93 PolarHBondContact O-N 3.5Å; L93-R95 VanDerWaalsContact C-N 3.3Å; L93-R95 PolarHBondContact O-N 3.04Å; L93-C96 PolarHBondContact O-N 3.31Å; L93-E97 WeakPolarHBondContact O-CB 3.45Å; L93-E97 PolarHBondContact O-N 3.5Å |
| 94 | A | 92.8 | Very high | 87.7 | Confident | 42 Ų | 42 | 116.2 Ų | 116.2 | 35% | 0.347 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.3 | -33.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K90 K91 E92 K98 | K90-A94 WeakPolarHBondContact O-CB 3.38Å; K90-A94 PolarHBondContact O-N 3.08Å; K91-A94 PolarHBondContact O-N 3.45Å; E92-A94 VanDerWaalsContact C-N 3.33Å; E92-A94 PolarHBondContact O-N 3.23Å; A94-K98 VanDerWaalsContact O-CG 3.25Å; A94-K98 WeakPolarHBondContact O-CG 3.44Å; A94-K98 PolarHBondContact O-N 2.84Å; A94-K98 VanDerWaalsContact O-N 3.14Å |
| 95 | R | 91.8 | Very high | 86.1 | Confident | 160 Ų | 160 | 115.7 Ų | 115.7 | 60% | 0.604 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.7 | -50 | 172.5 | -75.7 | 178.2 | 179.4 | -98.6 | 1.1 | 111.2 | K91 E92 L93 E97 K98 E99 | K91-R95 WeakPolarHBondContact O-CG 3.22Å; K91-R95 PolarHBondContact O-N 3.19Å; E92-R95 WeakPolarHBondContact O-CB 3.42Å; E92-R95 PolarHBondContact O-N 2.82Å; E92-R95 VanDerWaalsContact O-N 3.1Å; L93-R95 VanDerWaalsContact C-N 3.3Å; L93-R95 PolarHBondContact O-N 3.04Å; R95-E97 VanDerWaalsContact C-N 3.29Å; R95-E97 PolarHBondContact O-N 2.94Å; R95-K98 WeakPolarHBondContact O-CB 3.47Å; R95-K98 PolarHBondContact O-N 3.2Å; R95-K98 VanDerWaalsContact O-N 3.11Å; R95-E99 WeakPolarHBondContact O-CG 3.3Å; R95-E99 PolarHBondContact O-N 3.15Å |
| 96 | C | 84.9 | Confident | 84.2 | Confident | 71 Ų | 71 | 111.7 Ų | 111.7 | 48% | 0.48 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.1 | -38.8 | 176.4 | -72.3 | 0 | 0 | 0 | 0 | 112.2 | E92 L93 E99 F100 | E92-C96 PolarHBondContact O-N 2.75Å; E92-C96 PolarHBondContact O-SG 3.39Å; L93-C96 PolarHBondContact O-N 3.31Å; C96-E99 PolarHBondContact O-N 3.19Å; C96-F100 VanDerWaalsContact O-CB 3.29Å; C96-F100 WeakPolarHBondContact O-CB 3.45Å; C96-F100 PolarHBondContact O-N 3.48Å |
| 97 | E | 88.6 | Confident | 82.4 | Confident | 102 Ų | 102 | 110.8 Ų | 110.8 | 48% | 0.477 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 175.8 | -171.2 | -170.2 | 157.5 | 0 | 0 | 111.7 | L93 R95 F100 K101 | L93-E97 WeakPolarHBondContact O-CB 3.45Å; L93-E97 PolarHBondContact O-N 3.5Å; R95-E97 VanDerWaalsContact C-N 3.29Å; R95-E97 PolarHBondContact O-N 2.94Å; E97-F100 PolarHBondContact O-N 3.06Å; E97-K101 WeakPolarHBondContact O-CG 3.38Å; E97-K101 PolarHBondContact O-N 3.13Å; E97-K101 WeakPolarHBondContact OE1-CE 3.14Å; E97-K101 IonicContact OE1-NZ 2.65Å; E97-K101 PolarHBondContact OE1-NZ 2.9Å |
| 98 | K | 86.9 | Confident | 80.4 | Confident | 145 Ų | 145 | 117.9 Ų | 117.9 | 63% | 0.63 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.7 | -44.9 | 173.9 | -73.4 | 173.3 | -178.4 | -171.9 | 0 | 111.2 | A94 R95 F100 K101 L102 | A94-K98 VanDerWaalsContact O-CG 3.25Å; A94-K98 WeakPolarHBondContact O-CG 3.44Å; A94-K98 PolarHBondContact O-N 2.84Å; A94-K98 VanDerWaalsContact O-N 3.14Å; R95-K98 WeakPolarHBondContact O-CB 3.47Å; R95-K98 PolarHBondContact O-N 3.2Å; R95-K98 VanDerWaalsContact O-N 3.11Å; K98-F100 VanDerWaalsContact C-N 3.33Å; K98-F100 PolarHBondContact O-N 2.91Å; K98-K101 PolarHBondContact O-N 3.41Å; K98-L102 VanDerWaalsContact O-CG 3.29Å; K98-L102 WeakPolarHBondContact O-CG 3.33Å; K98-L102 PolarHBondContact O-N 2.86Å |
| 99 | E | 83.4 | Confident | 78.3 | Confident | 119 Ų | 119 | 114.6 Ų | 114.6 | 56% | 0.556 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64 | -37.1 | 175.8 | -71 | 178.2 | -170.9 | 0 | 0 | 112.1 | R95 C96 L102 T103 | R95-E99 WeakPolarHBondContact O-CG 3.3Å; R95-E99 PolarHBondContact O-N 3.15Å; C96-E99 PolarHBondContact O-N 3.19Å; E99-L102 PolarHBondContact O-N 3.04Å; E99-T103 WeakPolarHBondContact O-CB 3.4Å; E99-T103 WeakPolarHBondContact O-CG2 3.43Å; E99-T103 PolarHBondContact O-N 3.4Å; E99-T103 PolarHBondContact O-OG1 3.46Å |
| 100 | F | 77.3 | Confident | 76.2 | Confident | 136 Ų | 136 | 115.3 Ų | 115.3 | 60% | 0.596 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.7 | -39.7 | 174.4 | -173 | -101.4 | 0 | 0 | 0 | 112.2 | C96 E97 K98 T103 K104 | C96-F100 VanDerWaalsContact O-CB 3.29Å; C96-F100 WeakPolarHBondContact O-CB 3.45Å; C96-F100 PolarHBondContact O-N 3.48Å; E97-F100 PolarHBondContact O-N 3.06Å; K98-F100 VanDerWaalsContact C-N 3.33Å; K98-F100 PolarHBondContact O-N 2.91Å; F100-T103 VanDerWaalsContact CA-OG1 3.31Å; F100-T103 WeakPolarHBondContact CA-OG1 3.38Å; F100-T103 PolarHBondContact O-OG1 3.32Å; F100-T103 VanDerWaalsContact O-OG1 3.06Å; F100-K104 VanDerWaalsContact O-CB 3.24Å; F100-K104 WeakPolarHBondContact O-CB 3.3Å; F100-K104 PolarHBondContact O-N 2.82Å |
| 101 | K | 77.9 | Confident | 73.9 | Confident | 116 Ų | 116 | 114.4 Ų | 114.4 | 50% | 0.504 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.5 | -41.5 | 173.6 | -72.7 | 174 | -175.8 | 172.4 | 0 | 111.6 | E97 K98 T105 | E97-K101 WeakPolarHBondContact O-CG 3.38Å; E97-K101 PolarHBondContact O-N 3.13Å; E97-K101 WeakPolarHBondContact OE1-CE 3.14Å; E97-K101 IonicContact OE1-NZ 2.65Å; E97-K101 PolarHBondContact OE1-NZ 2.9Å; K98-K101 PolarHBondContact O-N 3.41Å; K101-T105 WeakPolarHBondContact O-CB 3.43Å; K101-T105 PolarHBondContact O-N 2.91Å; K101-T105 PolarHBondContact O-OG1 3.29Å |
| 102 | L | 71.7 | Confident | 71.9 | Confident | 125 Ų | 125 | 116.6 Ų | 116.6 | 65% | 0.654 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.7 | -45 | 176.2 | -69.8 | 171.4 | 0 | 0 | 0 | 112.2 | K98 E99 T105 A106 | K98-L102 VanDerWaalsContact O-CG 3.29Å; K98-L102 WeakPolarHBondContact O-CG 3.33Å; K98-L102 PolarHBondContact O-N 2.86Å; E99-L102 PolarHBondContact O-N 3.04Å; L102-T105 PolarHBondContact O-N 3.2Å; L102-A106 WeakPolarHBondContact O-CB 3.31Å; L102-A106 PolarHBondContact O-N 3.45Å |
| 103 | T | 67.3 | Low | 69.7 | Low | 76 Ų | 76 | 118.3 Ų | 118.3 | 47% | 0.466 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.2 | -37.3 | 176.7 | 50 | 0 | 0 | 0 | 0 | 112.3 | E99 F100 T105 A106 M107 | E99-T103 WeakPolarHBondContact O-CB 3.4Å; E99-T103 WeakPolarHBondContact O-CG2 3.43Å; E99-T103 PolarHBondContact O-N 3.4Å; E99-T103 PolarHBondContact O-OG1 3.46Å; F100-T103 VanDerWaalsContact CA-OG1 3.31Å; F100-T103 WeakPolarHBondContact CA-OG1 3.38Å; F100-T103 PolarHBondContact O-OG1 3.32Å; F100-T103 VanDerWaalsContact O-OG1 3.06Å; T103-T105 VanDerWaalsContact C-N 3.27Å; T103-T105 PolarHBondContact O-N 3.45Å; T103-A106 PolarHBondContact O-N 2.82Å; T103-M107 WeakPolarHBondContact O-CB 3.35Å; T103-M107 WeakPolarHBondContact O-CG 3.29Å; T103-M107 PolarHBondContact O-N 2.97Å |
| 104 | K | 66.6 | Low | 67.2 | Low | 146 Ų | 146 | 120.3 Ų | 120.3 | 64% | 0.635 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.7 | -34.5 | 171.9 | -171.3 | 174 | -178.8 | 177.8 | 0 | 112.3 | F100 R108 | F100-K104 VanDerWaalsContact O-CB 3.24Å; F100-K104 WeakPolarHBondContact O-CB 3.3Å; F100-K104 PolarHBondContact O-N 2.82Å; K104-R108 PolarHBondContact O-N 3.36Å |
| 105 | T | 60.2 | Low | 64.7 | Low | 96 Ų | 96 | 124 Ų | 124 | 59% | 0.589 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74.7 | -37.7 | 176.3 | -47.6 | 0 | 0 | 0 | 0 | 111 | K101 L102 T103 R108 A109 | K101-T105 WeakPolarHBondContact O-CB 3.43Å; K101-T105 PolarHBondContact O-N 2.91Å; K101-T105 PolarHBondContact O-OG1 3.29Å; L102-T105 PolarHBondContact O-N 3.2Å; T103-T105 VanDerWaalsContact C-N 3.27Å; T103-T105 PolarHBondContact O-N 3.45Å; T105-R108 PolarHBondContact O-N 3.31Å; T105-A109 PolarHBondContact O-N 2.98Å; T105-A109 VanDerWaalsContact O-N 3.1Å |
| 106 | A | 56.7 | Low | 62.4 | Low | 50 Ų | 50 | 125.6 Ų | 125.6 | 41% | 0.413 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69.3 | -37.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L102 T103 R108 A109 N110 | L102-A106 WeakPolarHBondContact O-CB 3.31Å; L102-A106 PolarHBondContact O-N 3.45Å; T103-A106 PolarHBondContact O-N 2.82Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 2.98Å; A106-A109 PolarHBondContact O-N 3.28Å; A106-N110 WeakPolarHBondContact O-CB 3.34Å; A106-N110 PolarHBondContact O-N 3.46Å |
| 107 | M | 57.1 | Low | 60.2 | Low | 145 Ų | 145 | 127.3 Ų | 127.3 | 71% | 0.714 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67 | -32.3 | 173.2 | -67.1 | -139.5 | 92.7 | 0 | 0 | 111.8 | T103 N110 S111 | T103-M107 WeakPolarHBondContact O-CB 3.35Å; T103-M107 WeakPolarHBondContact O-CG 3.29Å; T103-M107 PolarHBondContact O-N 2.97Å; M107-N110 PolarHBondContact O-N 3.49Å; M107-S111 PolarHBondContact O-N 2.95Å |
| 108 | R | 53.4 | Low | 57.9 | Low | 217 Ų | 217 | 129.8 Ų | 129.8 | 82% | 0.819 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -70.2 | -31.5 | 172.3 | -166.2 | 175.2 | -175.9 | -176.9 | 0.7 | 112.4 | K104 T105 A106 | K104-R108 PolarHBondContact O-N 3.36Å; T105-R108 PolarHBondContact O-N 3.31Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 2.98Å |
| 109 | A | 51.8 | Low | 55.3 | Low | 71 Ų | 71 | 133 Ų | 133 | 59% | 0.587 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -75.6 | -34 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | T105 A106 S111 | T105-A109 PolarHBondContact O-N 2.98Å; T105-A109 VanDerWaalsContact O-N 3.1Å; A106-A109 PolarHBondContact O-N 3.28Å; A109-S111 VanDerWaalsContact C-N 3.32Å; A109-S111 PolarHBondContact O-N 3.09Å |
| 110 | N | 51.7 | Low | 52.8 | Low | 130 Ų | 130 | 135 Ų | 135 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -83.1 | 1 | 177.5 | -79 | -15.8 | 0 | 0 | 0 | 114.6 | A106 M107 K112 | A106-N110 WeakPolarHBondContact O-CB 3.34Å; A106-N110 PolarHBondContact O-N 3.46Å; M107-N110 PolarHBondContact O-N 3.49Å; N110-K112 VanDerWaalsContact C-N 3.29Å; N110-K112 PolarHBondContact O-N 3.45Å |
| 111 | S | 46.8 | Very low | 50.6 | Low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -80.4 | -1.2 | 176.4 | -179.9 | 0 | 0 | 0 | 0 | 114.3 | M107 A109 | M107-S111 PolarHBondContact O-N 2.95Å; A109-S111 VanDerWaalsContact C-N 3.32Å; A109-S111 PolarHBondContact O-N 3.09Å |
| 112 | K | 52.7 | Low | 48.5 | Very low | 187 Ų | 187 | 138 Ų | 138 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -87.9 | -11.2 | -179 | -94.7 | 179.4 | 175.2 | 177.4 | 0 | 115.1 | N110 | N110-K112 VanDerWaalsContact C-N 3.29Å; N110-K112 PolarHBondContact O-N 3.45Å |
| 113 | N | 50 | Low | 46.4 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -132.4 | 118.2 | -176.2 | -50.5 | -2.1 | 0 | 0 | 0 | 108.1 | ||
| 114 | N | 42.3 | Very low | 44.6 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | 102.1 | 58.5 | 177.3 | -47.5 | -30.6 | 0 | 0 | 0 | 116.3 | ||||
| 115 | S | 40.6 | Very low | 43.6 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -96.8 | 71.6 | 156.6 | 53.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 116 | K | 41.9 | Very low | 41.9 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -145.5 | 118.4 | 164.4 | -67.9 | -170.2 | -178.4 | 175.6 | 0 | 111.5 | ||||
| 117 | S | 39.2 | Very low | 40.6 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 66.7 | 122.8 | 167.1 | 76.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 118 | L | 39.7 | Very low | 39.3 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | -161.5 | 88.6 | 63.7 | -72.5 | 166.1 | 0 | 0 | 0 | 110.8 | |||||
| 119 | F | 33.3 | Very low | 38.7 | Very low | 212 Ų | 212 | 143 Ų | 143 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -133 | 86.1 | 154.3 | -75.9 | -71.9 | 0 | 0 | 0 | 107.4 | ||||
| 120 | N | 30.7 | Very low | 37.6 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -152.2 | 92 | 168.3 | -91.1 | -27 | 0 | 0 | 0 | 107.6 | ||||
| 121 | T | 31.4 | Very low | 36.6 | Very low | 138 Ų | 138 | 148 Ų | 148 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | -161.4 | 92.9 | 146 | -55.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 122 | L | 34 | Very low | 36 | Very low | 176 Ų | 176 | 150.2 Ų | 150.2 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | 179.8 | 90.1 | 137.1 | -96.7 | 151.7 | 0 | 0 | 0 | 107.7 | ||||
| 123 | Q | 27.8 | Very low | 35 | Very low | 184 Ų | 184 | 148 Ų | 148 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -93.4 | 109.2 | 175.5 | -167.4 | 178.4 | 38.4 | 0 | 0 | 108 | ||||
| 124 | K | 29.9 | Very low | 34.2 | Very low | 191 Ų | 191 | 148.7 Ų | 148.7 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | trans | 55 | 177.2 | 136.4 | -93.8 | -178.6 | -178.9 | -175 | 0 | 120 | ||||
| 125 | P | 43.7 | Very low | 33.7 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | cis | -140.3 | -172.2 | -21.6 | 29.6 | -6.7 | 0 | 0 | 0 | 114.5 | ||||
| 126 | S | 25.9 | Very low | 33.3 | Very low | 126 Ų | 126 | 148.6 Ų | 148.6 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | 117.3 | 122.9 | 144.1 | -158.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 127 | G | 28.7 | Very low | 32.8 | Very low | 63 Ų | 63 | 149.2 Ų | 149.2 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | cis | -164.2 | 151.6 | 8.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 128 | E | 29.8 | Very low | 32.4 | Very low | 188 Ų | 188 | 152.4 Ų | 152.4 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | 48.1 | 155.1 | 129.9 | -133.6 | 143.2 | -157.6 | 0 | 0 | 121.9 | |||||
| 129 | P | 42 | Very low | 31.9 | Very low | 95 Ų | 95 | 152.6 Ų | 152.6 | 62% | 0.617 | 79% | 0.79 | S | S | * | * | -142.8 | -171.6 | -72.8 | 46.6 | -29.2 | 0 | 0 | 0 | 114 | |||||
| 130 | Q | 27 | Very low | 31.7 | Very low | 158 Ų | 158 | 150 Ų | 150 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 73 | 123.3 | 149.5 | -74.4 | -174.9 | -0.1 | 0 | 0 | 120.3 | ||||
| 131 | I | 31.6 | Very low | 31.8 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | -172.8 | 108.8 | 105.2 | -81.7 | 150.8 | 0 | 0 | 0 | 103.9 | |||||
| 132 | E | 35 | Very low | 31.7 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | 57.1 | 119.1 | 108 | -58.9 | 176.2 | -174.5 | 0 | 0 | 110.9 | |||||
| 133 | D | 31.3 | Very low | 31.9 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | -164.8 | 136.8 | 51.3 | -91.9 | -43.5 | 0 | 0 | 0 | 111.9 | |||||
| 134 | D | 32.9 | Very low | 31.9 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | 47.6 | 135.5 | 126.7 | -100.2 | -8.9 | 0 | 0 | 0 | 125.3 | |||||
| 135 | M | 31.8 | Very low | 32.2 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | trans | 80.5 | 99.1 | 140.8 | -71.2 | -172.8 | 67.7 | 0 | 0 | 120.8 | ||||
| 136 | L | 32.5 | Very low | 31.6 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | 44.5 | 114.5 | 116 | -61.3 | 172.4 | 0 | 0 | 0 | 117.2 | |||||
| 137 | K | 31.6 | Very low | 31.6 | Very low | 208 Ų | 208 | 143.2 Ų | 143.2 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | -171.8 | 146.6 | 107.7 | -98 | 163.1 | -169.3 | -173.7 | 0 | 113.4 | |||||
| 138 | E | 29.8 | Very low | 31.5 | Very low | 174 Ų | 174 | 152.3 Ų | 152.3 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -78.1 | 161.9 | -177.5 | -169.2 | 173.4 | -178.9 | 0 | 0 | 111.7 | ||||
| 139 | E | 29.4 | Very low | 31.4 | Very low | 157 Ų | 157 | 148 Ų | 148 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | 93.3 | 102 | 147.2 | -134.1 | 165.4 | -176.3 | 0 | 0 | 120.7 | ||||
| 140 | M | 28.5 | Very low | 30.7 | Very low | 159 Ų | 159 | 151 Ų | 151 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | 75.6 | 117.8 | 120.6 | -160.1 | 155 | 171.7 | 0 | 0 | 121.7 | |||||
| 141 | N | 33.8 | Very low | 30.8 | Very low | 152 Ų | 152 | 149.9 Ų | 149.9 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 32.4 | 110.2 | 147 | -82.6 | 6.8 | 0 | 0 | 0 | 120.3 | ||||
| 142 | G | 28 | Very low | 31.1 | Very low | 75 Ų | 75 | 148.4 Ų | 148.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -161.8 | 118.9 | 150 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 143 | F | 39.6 | Very low | 30.8 | Very low | 219 Ų | 219 | 147.1 Ų | 147.1 | 96% | 0.961 | 80% | 0.795 | S | S | * | * | trans | -64 | 135.7 | 172.6 | -71.3 | -87.8 | 0 | 0 | 0 | 110.3 | ||||
| 144 | S | 26.3 | Very low | 30.7 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -143.6 | 124.6 | 170.5 | -177.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 145 | S | 36.2 | Very low | 30.4 | Very low | 87 Ų | 87 | 148.6 Ų | 148.6 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | trans | -113.2 | 162.7 | 171.9 | 45.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 146 | F | 31.2 | Very low | 30.3 | Very low | 200 Ų | 200 | 152.1 Ų | 152.1 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | 87.5 | 135.5 | 178.3 | -49.2 | -66.1 | 0 | 0 | 0 | 114.4 | ||||
| 147 | A | 27.1 | Very low | 30.1 | Very low | 94 Ų | 94 | 152 Ų | 152 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | cis | -165.1 | 155.7 | 3.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 148 | R | 25.7 | Very low | 29.8 | Very low | 255 Ų | 255 | 150 Ų | 150 | 96% | 0.962 | 80% | 0.803 | S | S | * | * | trans | -156.9 | 123.4 | 136.6 | -146.6 | 170.3 | -162.1 | 162.5 | 5.5 | 111.1 | ||||
| 149 | S | 27.1 | Very low | 29.6 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | trans | -115.4 | 161.9 | 178 | 70.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 150 | L | 28.8 | Very low | 29.6 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 80.1 | 89.6 | 155.7 | -58.2 | 166 | 0 | 0 | 0 | 120 | ||||
| 151 | V | 28.5 | Very low | 29.6 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | 16 | 143.2 | 115.4 | -172.5 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 152 | P | 38.9 | Very low | 29.2 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | -152.6 | 169.6 | 52.9 | 37.1 | -13.1 | 0 | 0 | 0 | 122.6 | |||||
| 153 | S | 26.9 | Very low | 29.3 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 87.1 | 138.8 | 152.3 | 80.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 154 | S | 30.5 | Very low | 29.1 | Very low | 110 Ų | 110 | 146 Ų | 146 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | cis | -158.6 | 128.7 | 8.2 | 173.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 155 | E | 27.1 | Very low | 29.2 | Very low | 202 Ų | 202 | 147.2 Ų | 147.2 | 94% | 0.944 | 78% | 0.784 | S | S | * | * | trans | -119 | 105.8 | 164 | -169 | 168.2 | -166.4 | 0 | 0 | 108.1 | ||||
| 156 | R | 29 | Very low | 29.1 | Very low | 212 Ų | 212 | 151.6 Ų | 151.6 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -147.6 | 137 | 170.6 | -158.9 | -176 | -110.2 | 169.8 | -1.8 | 109.4 | ||||
| 157 | L | 27.9 | Very low | 28.9 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | 100.4 | 100.1 | 162.1 | -51.3 | 177.7 | 0 | 0 | 0 | 114.7 | ||||
| 158 | H | 25.3 | Very low | 29 | Very low | 164 Ų | 164 | 150 Ų | 150 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | 68 | 133.3 | 70.3 | -85.5 | -97.8 | 0 | 0 | 0 | 115.6 | |||||
| 159 | L | 26.4 | Very low | 29.2 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | 77.1 | 141.6 | 162.3 | -87.2 | 73.7 | 0 | 0 | 0 | 116.1 | ||||
| 160 | S | 28.2 | Very low | 29.2 | Very low | 81 Ų | 81 | 146.6 Ų | 146.6 | 57% | 0.566 | 78% | 0.781 | S | S | * | * | cis | -164.9 | 142.7 | 8.4 | 41.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 161 | L | 28.7 | Very low | 29.1 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -63.9 | 124.9 | 154.3 | 178.2 | 69.9 | 0 | 0 | 0 | 108.8 | ||||
| 162 | H | 26.2 | Very low | 29.8 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | trans | -108.3 | 116.4 | 170.6 | -107.2 | -85 | 0 | 0 | 0 | 111.8 | ||||
| 163 | K | 30.1 | Very low | 29.5 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -71.2 | 148.5 | 167.8 | -70 | 174.3 | 172.5 | 178.2 | 0 | 110.4 | ||||
| 164 | S | 34.1 | Very low | 30 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -69.9 | 138.4 | 162.3 | 52.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 165 | D | 28.9 | Very low | 29.9 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | -155.7 | 166.4 | 143.4 | -121.1 | -25.6 | 0 | 0 | 0 | 111.6 | ||||
| 166 | K | 34.5 | Very low | 30.2 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | trans | -88 | 169.1 | -146.4 | -59.3 | 148.8 | -176.3 | 176.1 | 0 | 116.1 | ||||
| 167 | V | 26.4 | Very low | 30.4 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | trans | 125.2 | 106.6 | 133.7 | -179.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 168 | I | 30.2 | Very low | 30.5 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 44.7 | 122.4 | 131.6 | -46.9 | 172.4 | 0 | 0 | 0 | 120.8 | ||||
| 169 | T | 29 | Very low | 30.8 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | 174.3 | 120.5 | 113.7 | 34.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 170 | N | 27.5 | Very low | 31.9 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | trans | 46.4 | 129 | 137.9 | -51.7 | -30.1 | 0 | 0 | 0 | 124.4 | ||||
| 171 | G | 27.6 | Very low | 32 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 150.8 | 139.1 | 145.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 172 | P | 42.1 | Very low | 32 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -117.1 | 175.9 | -138.3 | 27.9 | -7.9 | 0 | 0 | 0 | 116.1 | ||||
| 173 | E | 33.6 | Very low | 32.6 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | 118.8 | 118.9 | 139.4 | -62.8 | -151.7 | 124.4 | 0 | 0 | 119.6 | ||||
| 174 | K | 36.1 | Very low | 32.6 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | 67.5 | 146.9 | 149.7 | -12.9 | -162.7 | 178.3 | 180 | 0 | 115.7 | ||||
| 175 | N | 29.7 | Very low | 32.6 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | cis | -175.5 | 126 | 20.9 | 22.9 | 6.6 | 0 | 0 | 0 | 106.4 | ||||
| 176 | S | 33.4 | Very low | 32.6 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | 80.8 | 132.7 | 107.4 | -55.3 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 177 | S | 32 | Very low | 32.5 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | 111.1 | 102.3 | 158.1 | 71.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 178 | S | 30.8 | Very low | 32.9 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | 59.4 | 119.5 | 70.3 | 77.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 179 | S | 31.3 | Very low | 32.9 | Very low | 115 Ų | 115 | 123 Ų | 123 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | cis | -172.4 | 175.1 | 41.6 | -92 | 0 | 0 | 0 | 0 | 112 | ||||
| 180 | P | 49.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -117.3 | -160 | -161.9 | 42.9 | -29.4 | 0 | 0 | 0 | 114.5 | ||||
| 181 | S | 30.4 | Very low | 34.2 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | 106.5 | 139.3 | 169.3 | 85.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 182 | S | 29.4 | Very low | 34.7 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | cis | -145.4 | 141.2 | 33.5 | -169.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 183 | V | 39.2 | Very low | 34.9 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 62% | 0.624 | 79% | 0.794 | S | S | * | * | trans | -76.2 | 151.7 | 159.7 | -91 | 0 | 0 | 0 | 0 | 109.5 | Y185 | V183-Y185 HydrophobicContact CG1-CD2 4.45Å; V183-Y185 HydrophobicContact CG1-CE2 4.24Å | ||
| 184 | D | 30.2 | Very low | 34.7 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -152.4 | 125.2 | 132.9 | -90.6 | -31.5 | 0 | 0 | 0 | 109.8 | ||||
| 185 | Y | 32.4 | Very low | 34.7 | Very low | 216 Ų | 216 | 130 Ų | 130 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | -95.1 | 145.1 | 175.1 | -83.9 | -95.2 | 0 | 0 | 0 | 109.4 | V183 | V183-Y185 HydrophobicContact CG1-CD2 4.45Å; V183-Y185 HydrophobicContact CG1-CE2 4.24Å | ||
| 186 | A | 29.7 | Very low | 34.8 | Very low | 108 Ų | 108 | 127 Ų | 127 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -151.3 | 130.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 187 | A | 32.2 | Very low | 34.8 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -103.9 | 177.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 188 | S | 35.2 | Very low | 34.9 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | 95.3 | 131.9 | 163.5 | 80.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 189 | G | 30 | Very low | 34.9 | Very low | 71 Ų | 71 | 135.5 Ų | 135.5 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | cis | -166.4 | -177.4 | 10.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 190 | P | 48.5 | Very low | 35 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | trans | -110.7 | 142.3 | -159.6 | 36.7 | -26.4 | 0 | 0 | 0 | 113.7 | ||||
| 191 | R | 35.3 | Very low | 34.2 | Very low | 255 Ų | 255 | 139.7 Ų | 139.7 | 96% | 0.962 | 83% | 0.828 | S | S | * | * | trans | -152.1 | 128.8 | 153.5 | -69.2 | -165.4 | -176.5 | 145.8 | 2.9 | 112 | ||||
| 192 | K | 37.1 | Very low | 34.5 | Very low | 204 Ų | 204 | 145.1 Ų | 145.1 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | trans | -81.9 | -163.3 | 166.6 | -66.3 | -175 | 172 | -177.4 | 0 | 110.3 | ||||
| 193 | P | 46.5 | Very low | 35.1 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 84% | 0.838 | 83% | 0.832 | S | S | * | * | -119.3 | 170 | -76.2 | 35.1 | -18.6 | 0 | 0 | 0 | 111.3 | |||||
| 194 | G | 29.2 | Very low | 34.8 | Very low | 79 Ų | 79 | 152.3 Ų | 152.3 | 81% | 0.814 | 85% | 0.845 | S | S | * | * | trans | -154.4 | 110.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 195 | S | 37.1 | Very low | 35 | Very low | 128 Ų | 128 | 148.7 Ų | 148.7 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | trans | -72.6 | 145.6 | 171.2 | -179 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 196 | G | 31.8 | Very low | 35.3 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | -177.2 | 82.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 197 | T | 33.5 | Very low | 35.4 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 72% | 0.724 | 83% | 0.827 | S | S | * | * | trans | -65.9 | 124.1 | 164.2 | -54 | 0 | 0 | 0 | 0 | 110.2 | Y199 | T197-Y199 HydrophobicContact CG2-CE2 4.41Š| ||
| 198 | L | 34.3 | Very low | 35.9 | Very low | 175 Ų | 175 | 150 Ų | 150 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | trans | -146.1 | 130.5 | 156.7 | -88.6 | 172.5 | 0 | 0 | 0 | 111.3 | ||||
| 199 | Y | 31.2 | Very low | 35.8 | Very low | 217 Ų | 217 | 151.7 Ų | 151.7 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -67.2 | 149 | 176 | -73.3 | -101.2 | 0 | 0 | 0 | 112.4 | T197 | T197-Y199 HydrophobicContact CG2-CE2 4.41Š| ||
| 200 | G | 32.5 | Very low | 36.5 | Very low | 76 Ų | 76 | 153.2 Ų | 153.2 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | trans | 75.8 | 92.2 | 138.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 201 | R | 33.4 | Very low | 36.1 | Very low | 243 Ų | 243 | 155.6 Ų | 155.6 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | -155 | 115 | 142.3 | -158.5 | 174.7 | -87.7 | -115.4 | 3.3 | 111.5 | P203 | R201-P203 WeakPolarHBondContact O-CD 3.16Š| ||
| 202 | R | 36.6 | Very low | 36.2 | Very low | 235 Ų | 235 | 155 Ų | 155 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76 | 125.3 | 171.1 | -172.8 | -177.4 | -166.6 | 167 | 3.7 | 109.3 | ||
| 203 | P | 40.4 | Very low | 36.2 | Very low | 122 Ų | 122 | 154.9 Ų | 154.9 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -86 | 130.3 | 165.4 | -9.8 | 28.2 | 0 | 0 | 0 | 110.3 | R201 | R201-P203 WeakPolarHBondContact O-CD 3.16Š|
| 204 | R | 34.7 | Very low | 35.9 | Very low | 239 Ų | 239 | 156.9 Ų | 156.9 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 134.5 | 173.3 | -160.3 | 176.9 | -71.2 | -147.7 | 0.2 | 108.3 | ||
| 205 | S | 34.1 | Very low | 36.7 | Very low | 89 Ų | 89 | 160.3 Ų | 160.3 | 62% | 0.622 | 82% | 0.823 | S | S | * | * | trans | -30 | 126.6 | 173.1 | 171.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 206 | T | 37 | Very low | 36.8 | Very low | 133 Ų | 133 | 159.6 Ų | 159.6 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | trans | -148.1 | 110.2 | 147.7 | -53.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 207 | F | 33.8 | Very low | 37.6 | Very low | 185 Ų | 185 | 162.6 Ų | 162.6 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -78.1 | 137.5 | 173.1 | -68.2 | -87.7 | 0 | 0 | 0 | 109.9 | ||||
| 208 | P | 42.7 | Very low | 38.6 | Very low | 124 Ų | 124 | 161.4 Ų | 161.4 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | trans | -118 | 121.7 | 134.9 | 31.3 | -21.9 | 0 | 0 | 0 | 109.5 | ||||
| 209 | N | 32.6 | Very low | 39.7 | Very low | 166 Ų | 166 | 161.9 Ų | 161.9 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -73.9 | 124.6 | 176.1 | -166.3 | -0.9 | 0 | 0 | 0 | 109.3 | ||||
| 210 | S | 44.4 | Very low | 41.2 | Very low | 102 Ų | 102 | 155.2 Ų | 155.2 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | 142.1 | 75.4 | 158.4 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 211 | H | 39.6 | Very low | 42.5 | Very low | 173 Ų | 173 | 156.3 Ų | 156.3 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | -140.2 | 123.2 | 145.7 | -119.6 | -85 | 0 | 0 | 0 | 107.9 | F213 | H211-F213 PolarHBondContact O-N 2.99Š| ||
| 212 | R | 37 | Very low | 43.8 | Very low | 242 Ų | 242 | 150.3 Ų | 150.3 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | -40.8 | 114.2 | 165.9 | -85.1 | 171.9 | 155.9 | 156.8 | -7.2 | 108.6 | E214 | R212-E214 PolarHBondContact O-N 3.2Š| ||
| 213 | F | 38.1 | Very low | 45.7 | Very low | 203 Ų | 203 | 141.2 Ų | 141.2 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | trans | -69.3 | 86.7 | 162.1 | -66.6 | -83 | 0 | 0 | 0 | 106.7 | H211 L215 | H211-F213 PolarHBondContact O-N 2.99Å; F213-L215 VanDerWaalsContact C-N 3.29Å; F213-L215 PolarHBondContact O-N 3.33Å | ||
| 214 | E | 39.6 | Very low | 47.6 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | -63.2 | 102.7 | 156.4 | -164.4 | 164.4 | -156 | 0 | 0 | 105 | R212 V216 | R212-E214 PolarHBondContact O-N 3.2Å; E214-V216 HydrophobicContact CG-CG2 4.38Å; E214-V216 PolarHBondContact O-N 2.83Å | ||
| 215 | L | 45.3 | Very low | 49.6 | Very low | 151 Ų | 151 | 134 Ų | 134 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -62.7 | 78.3 | 168.5 | -83.9 | 158.4 | 0 | 0 | 0 | 107.1 | F213 I217 | F213-L215 VanDerWaalsContact C-N 3.29Å; F213-L215 PolarHBondContact O-N 3.33Å; L215-I217 PolarHBondContact O-N 2.95Å | ||
| 216 | V | 41.1 | Very low | 51.7 | Low | 112 Ų | 112 | 134.8 Ų | 134.8 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | trans | -66.8 | 89.9 | 154.7 | -178.3 | 0 | 0 | 0 | 0 | 103.8 | E214 S218 | E214-V216 HydrophobicContact CG-CG2 4.38Å; E214-V216 PolarHBondContact O-N 2.83Å; V216-S218 PolarHBondContact O-N 3.39Å | ||
| 217 | I | 47.7 | Very low | 53.5 | Low | 138 Ų | 138 | 134.1 Ų | 134.1 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | trans | -63 | 77.8 | 158.5 | -55.3 | 170.7 | 0 | 0 | 0 | 104 | L215 K219 | L215-I217 PolarHBondContact O-N 2.95Å; I217-K219 VanDerWaalsContact C-N 3.28Å; I217-K219 PolarHBondContact O-N 3.34Å | ||
| 218 | S | 53.5 | Low | 55.8 | Low | 94 Ų | 94 | 129.9 Ų | 129.9 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | trans | -57.5 | 106.3 | 162.8 | 55.4 | 0 | 0 | 0 | 0 | 103.2 | V216 A220 | V216-S218 PolarHBondContact O-N 3.39Å; S218-A220 PolarHBondContact O-N 3.33Å | ||
| 219 | K | 59.1 | Low | 57.3 | Low | 185 Ų | 185 | 128.4 Ų | 128.4 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | trans | -47.6 | 104.7 | -174.4 | -73.2 | -160.3 | 172.9 | -174.1 | 0 | 107.8 | I217 | I217-K219 VanDerWaalsContact C-N 3.28Å; I217-K219 PolarHBondContact O-N 3.34Å | ||
| 220 | A | 61 | Low | 59.3 | Low | 76 Ų | 76 | 121.9 Ų | 121.9 | 63% | 0.628 | 65% | 0.652 | S | S | * | * | trans | -53.9 | 128.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 104.5 | S218 S222 | S218-A220 PolarHBondContact O-N 3.33Å; A220-S222 PolarHBondContact O-N 2.89Å | ||
| 221 | P | 60.7 | Low | 60.6 | Low | 99 Ų | 99 | 126.3 Ų | 126.3 | 64% | 0.643 | 66% | 0.661 | S | S | * | * | trans | -48.2 | 109.4 | -173.8 | -27.5 | 32.5 | 0 | 0 | 0 | 108.6 | G223 K228 | P221-G223 VanDerWaalsContact C-N 3.32Å; P221-G223 PolarHBondContact O-N 3.14Å; P221-K228 WeakPolarHBondContact O-CE 3.49Å; P221-K228 PolarHBondContact O-NZ 2.92Å | ||
| 222 | S | 61.3 | Low | 62.1 | Low | 118 Ų | 118 | 124.6 Ų | 124.6 | 83% | 0.825 | 66% | 0.657 | S | S | * | * | trans | -77.8 | 88.8 | -170 | 54.4 | 0 | 0 | 0 | 0 | 107.2 | A220 | A220-S222 PolarHBondContact O-N 2.89Š| ||
| 223 | G | 76.7 | Confident | 63.6 | Low | 44 Ų | 44 | 118.2 Ų | 118.2 | 45% | 0.454 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -166.4 | 152.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | P221 K228 | P221-G223 VanDerWaalsContact C-N 3.32Å; P221-G223 PolarHBondContact O-N 3.14Å; G223-K228 VanDerWaalsContact O-CE 3.3Å; G223-K228 WeakPolarHBondContact O-CE 3.44Å |
| 224 | D | 79.8 | Confident | 65.3 | Low | 90 Ų | 90 | 114.1 Ų | 114.1 | 48% | 0.481 | 63% | 0.633 | S | S | . | * | trans | -54.9 | 140.6 | 173.2 | -170.9 | -4.5 | 0 | 0 | 0 | 109.4 | L226 D227 K228 | D224-L226 PolarHBondContact O-N 3.44Å; D224-L226 PolarHBondContact OD1-N 2.75Å; D224-D227 HydrophobicContact CB-CB 4.27Å; D224-D227 PolarHBondContact O-N 3.07Å; D224-D227 VanDerWaalsContact O-N 3.13Å; D224-K228 WeakPolarHBondContact O-CG 3.39Å; D224-K228 PolarHBondContact O-N 2.82Å | ||
| 225 | L | 77.5 | Confident | 66.5 | Low | 119 Ų | 119 | 110.8 Ų | 110.8 | 62% | 0.623 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.5 | -30.8 | 175.3 | -85.7 | 162.5 | 0 | 0 | 0 | 111.3 | K228 H229 | L225-K228 HydrophobicContact CD2-CD 4.39Å; L225-H229 PolarHBondContact O-CD2 3.5Å; L225-H229 VanDerWaalsContact O-CD2 3.31Å |
| 226 | L | 76.8 | Confident | 67.3 | Low | 106 Ų | 106 | 112.6 Ų | 112.6 | 56% | 0.555 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.4 | -39.7 | 175.4 | -61 | 179.8 | 0 | 0 | 0 | 112 | D224 K228 H229 A230 F233 | D224-L226 PolarHBondContact O-N 3.44Å; D224-L226 PolarHBondContact OD1-N 2.75Å; L226-K228 VanDerWaalsContact C-N 3.34Å; L226-K228 PolarHBondContact O-N 2.89Å; L226-H229 CarbonylContact O-C 3.37Å; L226-H229 PolarHBondContact O-N 3.38Å; L226-A230 PolarHBondContact O-N 2.94Å; L226-A230 VanDerWaalsContact O-N 3.07Å; L226-F233 HydrophobicContact CD2-CZ 4.15Å |
| 227 | D | 76.3 | Confident | 68.5 | Low | 118 Ų | 118 | 115.6 Ų | 115.6 | 63% | 0.631 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.4 | -36.2 | 177.7 | -74.5 | -26.9 | 0 | 0 | 0 | 112.4 | D224 H229 A230 | D224-D227 HydrophobicContact CB-CB 4.27Å; D224-D227 PolarHBondContact O-N 3.07Å; D224-D227 VanDerWaalsContact O-N 3.13Å; D227-H229 PolarHBondContact O-N 3.44Å; D227-A230 VanDerWaalsContact O-CB 3.32Å; D227-A230 WeakPolarHBondContact O-CB 3.35Å; D227-A230 PolarHBondContact O-N 3.48Å |
| 228 | K | 81.1 | Confident | 69.4 | Low | 97 Ų | 97 | 114.9 Ų | 114.9 | 42% | 0.422 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62 | -27.6 | 176.3 | -68.3 | 175 | -172.7 | 177 | 0 | 113 | P221 G223 D224 L225 L226 | P221-K228 WeakPolarHBondContact O-CE 3.49Å; P221-K228 PolarHBondContact O-NZ 2.92Å; G223-K228 VanDerWaalsContact O-CE 3.3Å; G223-K228 WeakPolarHBondContact O-CE 3.44Å; D224-K228 WeakPolarHBondContact O-CG 3.39Å; D224-K228 PolarHBondContact O-N 2.82Å; L225-K228 HydrophobicContact CD2-CD 4.39Å; L226-K228 VanDerWaalsContact C-N 3.34Å; L226-K228 PolarHBondContact O-N 2.89Å |
| 229 | H | 73.6 | Confident | 70 | Confident | 93 Ų | 93 | 115.4 Ų | 115.4 | 43% | 0.431 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.6 | 20.7 | -178.2 | -65.7 | -56.3 | 0 | 0 | 0 | 111.7 | L225 L226 D227 E231 L232 F233 | L225-H229 PolarHBondContact O-CD2 3.5Å; L225-H229 VanDerWaalsContact O-CD2 3.31Å; L226-H229 CarbonylContact O-C 3.37Å; L226-H229 PolarHBondContact O-N 3.38Å; D227-H229 PolarHBondContact O-N 3.44Å; H229-E231 PolarHBondContact O-N 3.42Å; H229-E231 VanDerWaalsContact O-N 3.08Å; H229-L232 HydrophobicContact CB-CB 4.42Å; H229-L232 HydrophobicContact CB-CD1 3.87Å; H229-L232 HydrophobicContact CB-CG 4.2Å; H229-L232 WeakPolarHBondContact O-CA 3.47Å; H229-L232 VanDerWaalsContact O-CB 3.3Å; H229-L232 WeakPolarHBondContact O-CB 3.23Å; H229-L232 PolarHBondContact O-N 2.93Å; H229-F233 HydrophobicContact CB-CE2 4.48Å; H229-F233 VanDerWaalsContact O-CD2 3.23Å; H229-F233 WeakPolarHBondContact O-CD2 3.3Å |
| 230 | A | 76 | Confident | 70.5 | Confident | 29 Ų | 29 | 114.5 Ų | 114.5 | 24% | 0.24 | 62% | 0.623 | C | S | . | * | G | 310 helix | trans | -56.3 | -29.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L226 D227 L232 F233 | L226-A230 PolarHBondContact O-N 2.94Å; L226-A230 VanDerWaalsContact O-N 3.07Å; D227-A230 VanDerWaalsContact O-CB 3.32Å; D227-A230 WeakPolarHBondContact O-CB 3.35Å; D227-A230 PolarHBondContact O-N 3.48Å; A230-L232 VanDerWaalsContact C-N 3.29Å; A230-L232 PolarHBondContact O-N 3.48Å; A230-F233 PolarHBondContact O-N 3.29Å |
| 231 | E | 71.4 | Confident | 70.7 | Confident | 195 Ų | 195 | 116.3 Ų | 116.3 | 91% | 0.911 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -72.3 | -18.7 | 175.5 | -61 | 179.2 | -178.2 | 0 | 0 | 113.5 | H229 F233 | H229-E231 PolarHBondContact O-N 3.42Å; H229-E231 VanDerWaalsContact O-N 3.08Å; E231-F233 VanDerWaalsContact C-N 3.31Å |
| 232 | L | 70.9 | Confident | 70.9 | Confident | 137 Ų | 137 | 115.7 Ų | 115.7 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -83 | -9.1 | 176.1 | -58.3 | -177 | 0 | 0 | 0 | 112.7 | H229 A230 | H229-L232 HydrophobicContact CB-CB 4.42Å; H229-L232 HydrophobicContact CB-CD1 3.87Å; H229-L232 HydrophobicContact CB-CG 4.2Å; H229-L232 WeakPolarHBondContact O-CA 3.47Å; H229-L232 VanDerWaalsContact O-CB 3.3Å; H229-L232 WeakPolarHBondContact O-CB 3.23Å; H229-L232 PolarHBondContact O-N 2.93Å; A230-L232 VanDerWaalsContact C-N 3.29Å; A230-L232 PolarHBondContact O-N 3.48Å |
| 233 | F | 69.1 | Low | 71.2 | Confident | 108 Ų | 108 | 121.2 Ų | 121.2 | 47% | 0.474 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -98.3 | 130.3 | 176 | -64.1 | -82.9 | 0 | 0 | 0 | 110.4 | L226 H229 A230 E231 N235 | L226-F233 HydrophobicContact CD2-CZ 4.15Å; H229-F233 HydrophobicContact CB-CE2 4.48Å; H229-F233 VanDerWaalsContact O-CD2 3.23Å; H229-F233 WeakPolarHBondContact O-CD2 3.3Å; A230-F233 PolarHBondContact O-N 3.29Å; E231-F233 VanDerWaalsContact C-N 3.31Å; F233-N235 PolarHBondContact O-N 2.82Å |
| 234 | S | 72.5 | Confident | 70.6 | Confident | 117 Ų | 117 | 124.8 Ų | 124.8 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -73.5 | 114.3 | 171.7 | 67.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 235 | N | 64.7 | Low | 69.5 | Low | 100 Ų | 100 | 127.8 Ų | 127.8 | 54% | 0.535 | 65% | 0.653 | S | S | . | * | trans | 58.2 | 119.3 | 169.4 | -159.2 | -17.1 | 0 | 0 | 0 | 116.3 | F233 Q237 | F233-N235 PolarHBondContact O-N 2.82Å; N235-Q237 PolarHBondContact O-N 3.08Å; N235-Q237 VanDerWaalsContact O-N 3.13Å; N235-Q237 PolarHBondContact OD1-N 3.24Å | ||
| 236 | K | 63.3 | Low | 69 | Low | 190 Ų | 190 | 131.9 Ų | 131.9 | 83% | 0.826 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -5.4 | -176.4 | -58.9 | -176.6 | -179.8 | -174 | 0 | 114.8 | ||
| 237 | Q | 65.4 | Low | 68.5 | Low | 175 Ų | 175 | 131.7 Ų | 131.7 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -7.1 | -172.5 | -99.5 | 162.3 | -4.9 | 0 | 0 | 115.1 | N235 | N235-Q237 PolarHBondContact O-N 3.08Å; N235-Q237 VanDerWaalsContact O-N 3.13Å; N235-Q237 PolarHBondContact OD1-N 3.24Å |
| 238 | L | 65.9 | Low | 68.4 | Low | 122 Ų | 122 | 135.5 Ų | 135.5 | 64% | 0.639 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -109.7 | 135.6 | 177.4 | -70.9 | 163.9 | 0 | 0 | 0 | 109.6 | F240 | L238-F240 PolarHBondContact O-N 3.39Š|
| 239 | P | 67.3 | Low | 68.1 | Low | 106 Ų | 106 | 134.7 Ų | 134.7 | 69% | 0.688 | 70% | 0.695 | S | S | * | * | trans | -58.4 | 135.2 | 172 | 25.4 | -32.2 | 0 | 0 | 0 | 108.8 | T241 | P239-T241 PolarHBondContact O-N 2.85Å; P239-T241 PolarHBondContact O-OG1 3.13Å; P239-T241 VanDerWaalsContact O-OG1 3.08Å | ||
| 240 | F | 68.3 | Low | 68.3 | Low | 166 Ų | 166 | 138.6 Ų | 138.6 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | trans | -52.4 | 104.5 | 175.7 | 172.5 | -101.6 | 0 | 0 | 0 | 109.3 | L238 P242 | L238-F240 PolarHBondContact O-N 3.39Å; F240-P242 HydrophobicContact CE1-CB 3.83Å; F240-P242 HydrophobicContact CE1-CG 4.31Å; F240-P242 HydrophobicContact CZ-CB 4.13Å; F240-P242 WeakPolarHBondContact O-CD 3.25Å | ||
| 241 | T | 65.9 | Low | 68.5 | Low | 113 Ų | 113 | 140.2 Ų | 140.2 | 69% | 0.693 | 72% | 0.721 | S | S | * | * | trans | -95.4 | 107.8 | 173.1 | -21.9 | 0 | 0 | 0 | 0 | 105.5 | P239 R243 | P239-T241 PolarHBondContact O-N 2.85Å; P239-T241 PolarHBondContact O-OG1 3.13Å; P239-T241 VanDerWaalsContact O-OG1 3.08Å; T241-R243 VanDerWaalsContact C-N 3.28Å; T241-R243 PolarHBondContact O-N 3Å | ||
| 242 | P | 64.3 | Low | 68.9 | Low | 87 Ų | 87 | 138.8 Ų | 138.8 | 57% | 0.565 | 71% | 0.712 | S | S | * | * | trans | -63.1 | 98.1 | 175.8 | 25.1 | -31.9 | 0 | 0 | 0 | 107.5 | F240 T244 | F240-P242 HydrophobicContact CE1-CB 3.83Å; F240-P242 HydrophobicContact CE1-CG 4.31Å; F240-P242 HydrophobicContact CZ-CB 4.13Å; F240-P242 WeakPolarHBondContact O-CD 3.25Å; P242-T244 PolarHBondContact O-N 2.77Å | ||
| 243 | R | 67.8 | Low | 69.4 | Low | 234 Ų | 234 | 137 Ų | 137 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | trans | -72.5 | 90.6 | 173.4 | -157.2 | 172.9 | -170.2 | 165.2 | 5.3 | 105.3 | T241 L245 | T241-R243 VanDerWaalsContact C-N 3.28Å; T241-R243 PolarHBondContact O-N 3Å; R243-L245 PolarHBondContact O-N 3.28Å | ||
| 244 | T | 65 | Low | 69.9 | Low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | trans | -53 | 112.7 | 167 | 38.1 | 0 | 0 | 0 | 0 | 106 | P242 K246 | P242-T244 PolarHBondContact O-N 2.77Å; T244-K246 PolarHBondContact O-N 2.84Å | ||
| 245 | L | 57 | Low | 70.3 | Confident | 153 Ų | 153 | 136 Ų | 136 | 80% | 0.801 | 69% | 0.693 | S | S | * | * | trans | -50.7 | 111.2 | 174.2 | -116.1 | 156.3 | 0 | 0 | 0 | 105.7 | R243 T247 | R243-L245 PolarHBondContact O-N 3.28Å; L245-T247 PolarHBondContact O-N 2.83Å | ||
| 246 | K | 65.3 | Low | 71.5 | Confident | 206 Ų | 206 | 137.4 Ų | 137.4 | 90% | 0.896 | 69% | 0.692 | S | S | * | * | trans | -67.2 | 85.4 | 177.5 | -68 | -169.7 | 178.5 | -176.8 | 0 | 106.6 | T244 | T244-K246 PolarHBondContact O-N 2.84Š| ||
| 247 | T | 67.8 | Low | 72.6 | Confident | 102 Ų | 102 | 139.7 Ų | 139.7 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | trans | -79.3 | 141.9 | 169.4 | 55.2 | 0 | 0 | 0 | 0 | 107.3 | L245 A249 | L245-T247 PolarHBondContact O-N 2.83Å; T247-A249 PolarHBondContact O-N 3.38Å | ||
| 248 | E | 73.8 | Confident | 73.8 | Confident | 197 Ų | 197 | 140.4 Ų | 140.4 | 92% | 0.921 | 69% | 0.692 | S | S | * | * | trans | -71.7 | 17.6 | 174.6 | 59.5 | -174 | 161.2 | 0 | 0 | 113.2 | K250 | E248-K250 PolarHBondContact O-N 3.39Š| ||
| 249 | A | 73.8 | Confident | 74.9 | Confident | 81 Ų | 81 | 139.8 Ų | 139.8 | 67% | 0.669 | 68% | 0.682 | S | S | * | * | trans | -66.7 | 113.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T247 | T247-A249 PolarHBondContact O-N 3.38Š| ||
| 250 | K | 78.6 | Confident | 75.8 | Confident | 174 Ų | 174 | 140.4 Ų | 140.4 | 76% | 0.757 | 68% | 0.684 | S | S | * | * | trans | -76.8 | 131.2 | 172.1 | -64.2 | 177.9 | -177.8 | 172.7 | 0 | 108.9 | E248 F252 | E248-K250 PolarHBondContact O-N 3.39Å; K250-F252 PolarHBondContact O-N 3.28Å | ||
| 251 | S | 79.8 | Confident | 76.3 | Confident | 64 Ų | 64 | 135.7 Ų | 135.7 | 45% | 0.448 | 67% | 0.67 | S | S | . | * | trans | -60 | 133.4 | 174.9 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | L253 S254 | S251-L253 PolarHBondContact O-N 2.8Å; S251-L253 WeakPolarHBondContact OG-CB 3.28Å; S251-L253 PolarHBondContact OG-N 3.32Å; S251-S254 WeakPolarHBondContact O-CB 3.21Å; S251-S254 PolarHBondContact O-N 3.39Å; S251-S254 PolarHBondContact O-OG 2.96Å | ||
| 252 | F | 80.1 | Confident | 76.9 | Confident | 165 Ų | 165 | 134.9 Ų | 134.9 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -55.3 | -32.1 | 173.2 | -178.7 | -100.5 | 0 | 0 | 0 | 112.2 | K250 S254 Q255 | K250-F252 PolarHBondContact O-N 3.28Å; F252-S254 VanDerWaalsContact C-N 3.25Å; F252-S254 PolarHBondContact O-N 2.99Å; F252-Q255 WeakPolarHBondContact O-CB 3.47Å; F252-Q255 PolarHBondContact O-N 3.07Å |
| 253 | L | 81.6 | Confident | 77.3 | Confident | 100 Ų | 100 | 140.3 Ų | 140.3 | 52% | 0.524 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -61.8 | -32.4 | 175.2 | -72.9 | 150.1 | 0 | 0 | 0 | 112.5 | S251 Q255 Y256 Y259 | S251-L253 PolarHBondContact O-N 2.8Å; S251-L253 WeakPolarHBondContact OG-CB 3.28Å; S251-L253 PolarHBondContact OG-N 3.32Å; L253-Q255 PolarHBondContact O-N 3.13Å; L253-Y256 WeakPolarHBondContact O-CB 3.41Å; L253-Y256 PolarHBondContact O-N 2.87Å; L253-Y259 HydrophobicContact CB-CD1 4.28Å; L253-Y259 HydrophobicContact CB-CE1 4.43Å; L253-Y259 HydrophobicContact CB-CG 4.46Å; L253-Y259 VanDerWaalsContact O-CB 3.32Å; L253-Y259 WeakPolarHBondContact O-CB 3.34Å; L253-Y259 WeakPolarHBondContact O-CD1 3.28Å |
| 254 | S | 78.9 | Confident | 77.6 | Confident | 64 Ų | 64 | 139.6 Ų | 139.6 | 45% | 0.448 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -65.4 | -18.3 | 176.8 | 71.5 | 0 | 0 | 0 | 0 | 113.5 | S251 F252 | S251-S254 WeakPolarHBondContact O-CB 3.21Å; S251-S254 PolarHBondContact O-N 3.39Å; S251-S254 PolarHBondContact O-OG 2.96Å; F252-S254 VanDerWaalsContact C-N 3.25Å; F252-S254 PolarHBondContact O-N 2.99Å |
| 255 | Q | 81.3 | Confident | 77.4 | Confident | 138 Ų | 138 | 143.2 Ų | 143.2 | 65% | 0.645 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -91.7 | -7.8 | 176.4 | -58.3 | 177.8 | -0.5 | 0 | 0 | 112.3 | F252 L253 | F252-Q255 WeakPolarHBondContact O-CB 3.47Å; F252-Q255 PolarHBondContact O-N 3.07Å; L253-Q255 PolarHBondContact O-N 3.13Å |
| 256 | Y | 90.4 | Very high | 77.6 | Confident | 131 Ų | 131 | 144.8 Ų | 144.8 | 51% | 0.514 | 69% | 0.693 | S | S | . | * | trans | -79.7 | 129.2 | -176.2 | -166.6 | -117.5 | 0 | 0 | 0 | 111.3 | L253 Y258 Y259 | L253-Y256 WeakPolarHBondContact O-CB 3.41Å; L253-Y256 PolarHBondContact O-N 2.87Å; Y256-Y258 HydrophobicContact CD1-CD2 4.29Å; Y256-Y258 AromaticContact CE1-CD2 3.57Å; Y256-Y258 HydrophobicContact CE1-CD2 3.57Å; Y256-Y258 HydrophobicContact CE1-CG 4.14Å; Y256-Y258 HydrophobicContact CE2-CD2 4.4Å; Y256-Y258 AromaticContact CZ-CD2 3.63Å; Y256-Y258 PolarHBondContact O-N 3.45Å; Y256-Y258 VanDerWaalsContact O-N 3.14Å; Y256-Y259 PolarHBondContact O-N 2.9Å | ||
| 257 | R | 86.4 | Confident | 76.9 | Confident | 237 Ų | 237 | 141.6 Ų | 141.6 | 89% | 0.894 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -30.4 | -172.7 | -71 | -175.9 | 176 | -174.4 | -1.4 | 114.4 | ||
| 258 | Y | 89.4 | Confident | 75.8 | Confident | 190 Ų | 190 | 146.6 Ų | 146.6 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -1.1 | -178.1 | -54 | -79.1 | 0 | 0 | 0 | 112.8 | Y256 | Y256-Y258 HydrophobicContact CD1-CD2 4.29Å; Y256-Y258 AromaticContact CE1-CD2 3.57Å; Y256-Y258 HydrophobicContact CE1-CD2 3.57Å; Y256-Y258 HydrophobicContact CE1-CG 4.14Å; Y256-Y258 HydrophobicContact CE2-CD2 4.4Å; Y256-Y258 AromaticContact CZ-CD2 3.63Å; Y256-Y258 PolarHBondContact O-N 3.45Å; Y256-Y258 VanDerWaalsContact O-N 3.14Å |
| 259 | Y | 89.4 | Confident | 74 | Confident | 110 Ų | 110 | 141.4 Ų | 141.4 | 43% | 0.431 | 69% | 0.69 | S | S | . | * | trans | -94.9 | 114.1 | 177.9 | -176.8 | -107.3 | 0 | 0 | 0 | 110.3 | L253 Y256 P261 | L253-Y259 HydrophobicContact CB-CD1 4.28Å; L253-Y259 HydrophobicContact CB-CE1 4.43Å; L253-Y259 HydrophobicContact CB-CG 4.46Å; L253-Y259 VanDerWaalsContact O-CB 3.32Å; L253-Y259 WeakPolarHBondContact O-CB 3.34Å; L253-Y259 WeakPolarHBondContact O-CD1 3.28Å; Y256-Y259 PolarHBondContact O-N 2.9Å; Y259-P261 HydrophobicContact CD1-CB 4.5Å; Y259-P261 HydrophobicContact CE1-CB 3.74Å; Y259-P261 HydrophobicContact CE1-CG 4.29Å; Y259-P261 WeakPolarHBondContact O-CD 3.46Å | ||
| 260 | T | 86.7 | Confident | 72.6 | Confident | 119 Ų | 119 | 145.4 Ų | 145.4 | 73% | 0.73 | 70% | 0.7 | S | S | * | * | trans | -106.3 | 103.4 | 171.8 | -55.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 261 | P | 79.1 | Confident | 70.6 | Confident | 67 Ų | 67 | 145.6 Ų | 145.6 | 44% | 0.435 | 70% | 0.703 | S | S | . | * | trans | -63.5 | 146.1 | 179.2 | 24 | -31.4 | 0 | 0 | 0 | 110.7 | Y259 K263 | Y259-P261 HydrophobicContact CD1-CB 4.5Å; Y259-P261 HydrophobicContact CE1-CB 3.74Å; Y259-P261 HydrophobicContact CE1-CG 4.29Å; Y259-P261 WeakPolarHBondContact O-CD 3.46Å; P261-K263 PolarHBondContact O-N 2.96Å; P261-K263 VanDerWaalsContact O-N 3.14Å | ||
| 262 | A | 78.8 | Confident | 69.1 | Low | 96 Ų | 96 | 154.5 Ų | 154.5 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | trans | -58.4 | 118.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | R264 | A262-R264 PolarHBondContact O-N 3.44Å; A262-R264 VanDerWaalsContact O-N 3.12Å | ||
| 263 | K | 72.9 | Confident | 67.1 | Low | 200 Ų | 200 | 154 Ų | 154 | 87% | 0.87 | 73% | 0.73 | S | S | * | * | trans | -73.9 | 103.1 | 177.7 | -66.8 | -166 | 178.2 | -176.7 | 0 | 109 | P261 | P261-K263 PolarHBondContact O-N 2.96Å; P261-K263 VanDerWaalsContact O-N 3.14Å | ||
| 264 | R | 74.4 | Confident | 65 | Low | 220 Ų | 220 | 157.1 Ų | 157.1 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | trans | -70.8 | 130.4 | 164.4 | -64.4 | -167.5 | -66.9 | 149.2 | -1.3 | 108.1 | A262 K266 | A262-R264 PolarHBondContact O-N 3.44Å; A262-R264 VanDerWaalsContact O-N 3.12Å; R264-K266 PolarHBondContact O-N 2.79Å | ||
| 265 | K | 60.1 | Low | 63 | Low | 194 Ų | 194 | 158.2 Ų | 158.2 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -60.1 | 121.8 | 174.5 | -71.3 | -124.1 | 177.6 | 176.6 | 0 | 108 | D267 | K265-D267 PolarHBondContact O-N 3.12Š| ||
| 266 | K | 61.7 | Low | 60.9 | Low | 185 Ų | 185 | 159 Ų | 159 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -91.8 | 91.1 | 178.7 | -172.5 | 175.5 | -175.8 | -177.7 | 0 | 106.3 | R264 F268 | R264-K266 PolarHBondContact O-N 2.79Å; K266-F268 PolarHBondContact O-N 3.2Å | ||
| 267 | D | 48.9 | Very low | 58.1 | Low | 140 Ų | 140 | 159.1 Ų | 159.1 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -67.7 | 129.2 | 168.1 | -61.4 | -39.4 | 0 | 0 | 0 | 107.7 | K265 A269 | K265-D267 PolarHBondContact O-N 3.12Å; D267-A269 PolarHBondContact O-N 3.39Å | ||
| 268 | F | 45.1 | Very low | 55.7 | Low | 207 Ų | 207 | 155 Ų | 155 | 91% | 0.908 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -68.7 | 99.7 | -179.4 | -71.2 | -90.3 | 0 | 0 | 0 | 109.4 | K266 | K266-F268 PolarHBondContact O-N 3.2Š|
| 269 | A | 37.3 | Very low | 53.1 | Low | 88 Ų | 88 | 152 Ų | 152 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -155.9 | 107.2 | 154 | 0 | 0 | 0 | 0 | 0 | 109.2 | D267 Q271 | D267-A269 PolarHBondContact O-N 3.39Å; A269-Q271 PolarHBondContact O-N 3.06Å | ||
| 270 | D | 44.2 | Very low | 50.2 | Low | 164 Ų | 164 | 154.8 Ų | 154.8 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -64.9 | 99.3 | 158.8 | -94.1 | -29.9 | 0 | 0 | 0 | 108 | ||||
| 271 | Q | 36.9 | Very low | 47.8 | Very low | 178 Ų | 178 | 156.2 Ų | 156.2 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -163.3 | 132.4 | 144.9 | -109.2 | 159.3 | 72.3 | 0 | 0 | 110.4 | A269 I273 | A269-Q271 PolarHBondContact O-N 3.06Å; Q271-I273 PolarHBondContact O-N 3.32Å | ||
| 272 | R | 46.5 | Very low | 45.3 | Very low | 252 Ų | 252 | 157.5 Ų | 157.5 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | trans | -49.9 | 104.1 | 177.6 | -68.8 | 171.8 | 168.4 | -126.2 | -0.1 | 111.2 | ||||
| 273 | I | 38 | Very low | 43 | Very low | 153 Ų | 153 | 161.6 Ų | 161.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -140.8 | 137 | 162.9 | -56.8 | -178.7 | 0 | 0 | 0 | 108.7 | Q271 | Q271-I273 PolarHBondContact O-N 3.32Š| ||
| 274 | E | 37.6 | Very low | 41 | Very low | 166 Ų | 166 | 161.3 Ų | 161.3 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -50.7 | 132.4 | 177.5 | -76.7 | 164.2 | 137 | 0 | 0 | 112.1 | ||||
| 275 | A | 37.8 | Very low | 38.8 | Very low | 87 Ų | 87 | 156.2 Ų | 156.2 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | trans | -96.9 | 90.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107 | T277 | A275-T277 PolarHBondContact O-N 2.91Š| ||
| 276 | E | 36.9 | Very low | 37.2 | Very low | 154 Ų | 154 | 156.2 Ų | 156.2 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | -61.8 | 116.2 | 158.3 | -66.7 | -179.7 | 149.4 | 0 | 0 | 107.7 | Q278 | E276-Q278 PolarHBondContact O-N 3.49Š| ||
| 277 | T | 31.8 | Very low | 35.7 | Very low | 134 Ų | 134 | 154.8 Ų | 154.8 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -86.6 | 87.9 | 163.5 | 47.2 | 0 | 0 | 0 | 0 | 107.5 | A275 | A275-T277 PolarHBondContact O-N 2.91Š| ||
| 278 | Q | 36.7 | Very low | 34.7 | Very low | 151 Ų | 151 | 151.6 Ų | 151.6 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -83 | 117.4 | 155.2 | -71 | -175.1 | -3.9 | 0 | 0 | 107.7 | E276 E280 | E276-Q278 PolarHBondContact O-N 3.49Å; Q278-E280 VanDerWaalsContact C-N 3.31Å; Q278-E280 PolarHBondContact O-N 2.95Å | ||
| 279 | T | 34.8 | Very low | 33.8 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -80.8 | 84.7 | 164 | -52 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 280 | E | 27.8 | Very low | 33.4 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -112.9 | 110 | 154.2 | -77 | -165.2 | 170.2 | 0 | 0 | 107.4 | Q278 S282 | Q278-E280 VanDerWaalsContact C-N 3.31Å; Q278-E280 PolarHBondContact O-N 2.95Å; E280-S282 PolarHBondContact O-N 3.4Å | ||
| 281 | L | 37.4 | Very low | 32.7 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -70.1 | 91.2 | 175.4 | -73.2 | 164.2 | 0 | 0 | 0 | 108.6 | F283 | L281-F283 HydrophobicContact CD2-CE2 4.34Š| ||
| 282 | S | 25 | Very low | 32.4 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | -102.4 | 99.1 | 163.3 | -164.8 | 0 | 0 | 0 | 0 | 109 | E280 K284 | E280-S282 PolarHBondContact O-N 3.4Å; S282-K284 PolarHBondContact O-N 3.22Å | ||
| 283 | F | 30.4 | Very low | 31.9 | Very low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | trans | -72.7 | 99.7 | 166.1 | -78 | -88.6 | 0 | 0 | 0 | 108.6 | L281 | L281-F283 HydrophobicContact CD2-CE2 4.34Š| ||
| 284 | K | 31.7 | Very low | 31.7 | Very low | 193 Ų | 193 | 142.4 Ų | 142.4 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -108.1 | 100.1 | 156.9 | -69.2 | -67 | -176.4 | -177.4 | 0 | 107.3 | S282 | S282-K284 PolarHBondContact O-N 3.22Š| ||
| 285 | S | 27.2 | Very low | 31.4 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -113 | 93 | 165.7 | -176 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 286 | E | 28 | Very low | 31.1 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | trans | -83.2 | 105.6 | 168.3 | -154.6 | 166.7 | -149.1 | 0 | 0 | 106.7 | G288 | E286-G288 PolarHBondContact O-N 3.05Š| ||
| 287 | L | 29.1 | Very low | 30.7 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | -79.4 | 97.2 | 174.7 | 180 | 65.8 | 0 | 0 | 0 | 108.2 | ||||
| 288 | G | 27.8 | Very low | 31.1 | Very low | 73 Ų | 73 | 143.4 Ų | 143.4 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -86.2 | 116.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | E286 | E286-G288 PolarHBondContact O-N 3.05Š| ||
| 289 | T | 26.6 | Very low | 30.8 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -86.1 | 135.1 | 177.8 | -30.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 290 | A | 30 | Very low | 30.6 | Very low | 87 Ų | 87 | 146.5 Ų | 146.5 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | trans | 59.5 | 126 | 149.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 291 | E | 29.3 | Very low | 30.7 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -172.1 | 95.8 | 132.5 | -102.3 | 174.6 | -165 | 0 | 0 | 108.9 | ||||
| 292 | T | 28.9 | Very low | 30.8 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 68% | 0.681 | 80% | 0.798 | S | S | * | * | 63.7 | 123.8 | 105.8 | 58.6 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 293 | K | 37.6 | Very low | 31.3 | Very low | 179 Ų | 179 | 150.5 Ų | 150.5 | 78% | 0.778 | 81% | 0.806 | S | S | * | * | trans | 81.7 | 111.9 | 149.3 | -63.1 | 164 | -172.3 | 179.8 | 0 | 118.5 | ||||
| 294 | N | 33.1 | Very low | 31.4 | Very low | 162 Ų | 162 | 151 Ų | 151 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | -171.9 | 147.5 | 90.3 | -86.6 | -48.2 | 0 | 0 | 0 | 112.8 | |||||
| 295 | V | 30.5 | Very low | 31.1 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | trans | -78.8 | 137.7 | -176.7 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 296 | T | 32.9 | Very low | 31.5 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | trans | -148.5 | 124.1 | 142.2 | -49.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 297 | E | 29 | Very low | 31.4 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -85.7 | 140.2 | -173.6 | -167.1 | 170.8 | -146.6 | 0 | 0 | 110.5 | ||||
| 298 | S | 39.5 | Very low | 31.2 | Very low | 118 Ų | 118 | 141 Ų | 141 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -162.8 | 98.5 | 146.7 | 46.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 299 | E | 31.2 | Very low | 31.2 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | 18.7 | 117.7 | 129.8 | -109 | 175.1 | 168 | 0 | 0 | 118.3 | |||||
| 300 | M | 30.7 | Very low | 31.5 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | 159.2 | 131.6 | 84.9 | 65.6 | -179.6 | 161.2 | 0 | 0 | 112.9 | |||||
| 301 | N | 29.6 | Very low | 31.6 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 54.5 | 113.3 | 147.6 | -67.3 | -54.5 | 0 | 0 | 0 | 120.6 | ||||
| 302 | I | 37.9 | Very low | 31.7 | Very low | 167 Ų | 167 | 146.9 Ų | 146.9 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | -166.4 | 134.4 | 91.1 | -86.4 | 156.5 | 0 | 0 | 0 | 109.3 | |||||
| 303 | K | 35.6 | Very low | 31.8 | Very low | 191 Ų | 191 | 146.5 Ų | 146.5 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -61.7 | 135.2 | 173.8 | -58.8 | 164.8 | 178.8 | 177.6 | 0 | 110.1 | ||||
| 304 | Q | 33.1 | Very low | 31.9 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | -168.6 | 118 | 112.8 | -165.1 | 157.9 | -1.9 | 0 | 0 | 110 | |||||
| 305 | A | 25.4 | Very low | 31.9 | Very low | 86 Ų | 86 | 149.1 Ų | 149.1 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -74.3 | 146.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 306 | S | 35.1 | Very low | 32 | Very low | 107 Ų | 107 | 152.7 Ų | 152.7 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | 172.2 | 106.2 | 120.8 | 59.6 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 307 | N | 25.6 | Very low | 31.9 | Very low | 149 Ų | 149 | 153.8 Ų | 153.8 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | 35.6 | 127.1 | 76.3 | -71.3 | -6.1 | 0 | 0 | 0 | 110.7 | |||||
| 308 | C | 25.2 | Very low | 31.9 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 72% | 0.716 | 80% | 0.803 | S | S | * | * | cis | 174.9 | 171.3 | 21.7 | 46.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 309 | V | 28.1 | Very low | 32.5 | Very low | 90 Ų | 90 | 149.5 Ų | 149.5 | 55% | 0.545 | 80% | 0.8 | S | S | . | * | trans | 85.8 | 102.1 | 142.4 | 178.1 | 0 | 0 | 0 | 0 | 118.3 | Y311 | V309-Y311 HydrophobicContact CG1-CD2 3.87Å; V309-Y311 HydrophobicContact CG1-CE2 3.37Å | ||
| 310 | T | 34.3 | Very low | 32.4 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | trans | -17.4 | 132.8 | 131.6 | 47.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 311 | Y | 30.6 | Very low | 32.8 | Very low | 214 Ų | 214 | 146.2 Ų | 146.2 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -139.4 | 121.1 | 145.8 | -80 | -76.4 | 0 | 0 | 0 | 110.6 | V309 | V309-Y311 HydrophobicContact CG1-CD2 3.87Å; V309-Y311 HydrophobicContact CG1-CE2 3.37Å | ||
| 312 | D | 31.9 | Very low | 32.7 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -58.7 | 140.8 | 151.5 | -74.3 | -52.1 | 0 | 0 | 0 | 110 | ||||
| 313 | A | 31.3 | Very low | 32.1 | Very low | 103 Ų | 103 | 148.1 Ų | 148.1 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -145.1 | 110.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 314 | K | 40 | Very low | 31.6 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | -73.5 | 137.3 | 163.8 | -59.2 | 175.1 | 179.5 | -179.4 | 0 | 107.8 | ||||
| 315 | E | 31.4 | Very low | 31.4 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -147.2 | 133.1 | 148.1 | -122.5 | 175.5 | -166.5 | 0 | 0 | 111.9 | ||||
| 316 | K | 33.6 | Very low | 31.6 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -92.2 | 135.9 | -178.9 | -65.4 | 165.6 | 169.6 | 177.6 | 0 | 107.9 | ||||
| 317 | I | 31 | Very low | 31.6 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -139.3 | 125.9 | 144.7 | -54.8 | 179.9 | 0 | 0 | 0 | 107.5 | ||||
| 318 | A | 29.6 | Very low | 31.8 | Very low | 85 Ų | 85 | 144.9 Ų | 144.9 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | -121.4 | -174.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 319 | P | 50.4 | Low | 32.1 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | -119 | -172.8 | -94.8 | 34.4 | -15.9 | 0 | 0 | 0 | 111.3 | |||||
| 320 | L | 29.3 | Very low | 32.1 | Very low | 166 Ų | 166 | 152.8 Ų | 152.8 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | 177.7 | 164.3 | 151 | -99.5 | 164.9 | 0 | 0 | 0 | 112.4 | ||||
| 321 | P | 38.9 | Very low | 32.1 | Very low | 108 Ų | 108 | 155.4 Ų | 155.4 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | -131.7 | 173 | -106.5 | 45.2 | -29.9 | 0 | 0 | 0 | 115.6 | |||||
| 322 | L | 27.4 | Very low | 32.1 | Very low | 161 Ų | 161 | 153.4 Ų | 153.4 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -170.6 | 96.5 | 147.2 | -154.6 | 66.4 | 0 | 0 | 0 | 108.7 | ||||
| 323 | Q | 27.2 | Very low | 32.3 | Very low | 183 Ų | 183 | 153.7 Ų | 153.7 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | 56.1 | 110.1 | 86.9 | -163.2 | 159.8 | 31.9 | 0 | 0 | 117 | |||||
| 324 | G | 25.1 | Very low | 32.4 | Very low | 58 Ų | 58 | 155.5 Ų | 155.5 | 60% | 0.598 | 80% | 0.8 | S | S | * | * | trans | 99.2 | 111 | 134.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 325 | H | 27.1 | Very low | 31.9 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | 172.9 | 135.1 | 86.4 | -91.9 | -76.4 | 0 | 0 | 0 | 111.9 | |||||
| 326 | D | 31.6 | Very low | 31.8 | Very low | 148 Ų | 148 | 148.1 Ų | 148.1 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -64.8 | 137.5 | 169.9 | -53.4 | -66.5 | 0 | 0 | 0 | 111.5 | ||||
| 327 | L | 34.5 | Very low | 32.1 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -139.7 | 103.5 | 161.9 | -76.5 | 175 | 0 | 0 | 0 | 111.4 | ||||
| 328 | T | 30 | Very low | 32.3 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -45.5 | 131.9 | 154.1 | -45.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 329 | W | 29.9 | Very low | 32.3 | Very low | 221 Ų | 221 | 149.9 Ų | 149.9 | 84% | 0.837 | 78% | 0.783 | S | S | * | * | trans | -131.5 | 101.7 | 164.6 | -76 | 103.3 | 0 | 0 | 0 | 109.6 | ||||
| 330 | D | 29.3 | Very low | 31.4 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -76.8 | 142.3 | 158.3 | -88.2 | -33.3 | 0 | 0 | 0 | 110 | ||||
| 331 | E | 34.1 | Very low | 31.9 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | 5.8 | 120.6 | 150.2 | -123.8 | 172.2 | -174.3 | 0 | 0 | 118.4 | ||||
| 332 | I | 31 | Very low | 32 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -157.4 | 136.1 | 136 | -88.6 | 136.9 | 0 | 0 | 0 | 109 | ||||
| 333 | K | 35.7 | Very low | 32.3 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | -77.9 | 153.5 | 178.4 | -79.7 | -81.4 | -177.8 | 178 | 0 | 113.5 | ||||
| 334 | D | 32.5 | Very low | 32.6 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 57.5 | 115.4 | 149.9 | -57.4 | -20.3 | 0 | 0 | 0 | 119.2 | ||||
| 335 | D | 29.7 | Very low | 32.9 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | 166.4 | 155.5 | 83.5 | -158.9 | 11.3 | 0 | 0 | 0 | 110.8 | |||||
| 336 | A | 31 | Very low | 32.9 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 63% | 0.628 | 78% | 0.775 | S | S | * | * | trans | 75.6 | 93.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 337 | L | 38 | Very low | 33.1 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | trans | 60.9 | 116.4 | 133.2 | -56 | 174.5 | 0 | 0 | 0 | 121.3 | ||||
| 338 | Q | 35.3 | Very low | 33 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -168.3 | 127.3 | 109.6 | -86.2 | -44.4 | -33.7 | 0 | 0 | 111.2 | |||||
| 339 | H | 30.4 | Very low | 33.5 | Very low | 178 Ų | 178 | 151.1 Ų | 151.1 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75 | 119.8 | 177.3 | -70 | -82.7 | 0 | 0 | 0 | 111.5 | ||
| 340 | S | 31.9 | Very low | 34.1 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 135.5 | 159.9 | 64.4 | 0 | 0 | 0 | 0 | 110 | ||
| 341 | S | 38.8 | Very low | 34.1 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 122.6 | -168.8 | 167.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 342 | P | 41.2 | Very low | 34.1 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 135.2 | 169.9 | -9.2 | 26.5 | 0 | 0 | 0 | 112 | ||
| 343 | R | 34.1 | Very low | 34.4 | Very low | 239 Ų | 239 | 143.6 Ų | 143.6 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 127.2 | 174.9 | -159.1 | 174.6 | -172 | -179.4 | 1.2 | 109.3 | V345 | R343-V345 PolarHBondContact O-N 3.44Š|
| 344 | A | 32.9 | Very low | 34.6 | Very low | 57 Ų | 57 | 138.9 Ų | 138.9 | 47% | 0.471 | 77% | 0.766 | S | S | . | * | P | Polyproline II helix | trans | -73.4 | 116.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 345 | V | 31.2 | Very low | 35 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 138.3 | 160.3 | 175.8 | 0 | 0 | 0 | 0 | 108.3 | R343 Q347 | R343-V345 PolarHBondContact O-N 3.44Å; V345-Q347 PolarHBondContact O-N 2.98Å |
| 346 | C | 27.5 | Very low | 35.9 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | trans | -57.2 | 113.2 | 179.9 | -81.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 347 | Q | 36.1 | Very low | 36.9 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | -83.3 | 110.1 | 162.4 | -71.8 | 178.5 | -9 | 0 | 0 | 109.4 | V345 S349 | V345-Q347 PolarHBondContact O-N 2.98Å; Q347-S349 PolarHBondContact O-N 2.94Å | ||
| 348 | Y | 32.2 | Very low | 37.8 | Very low | 220 Ų | 220 | 136.8 Ų | 136.8 | 86% | 0.863 | 75% | 0.751 | S | S | * | * | trans | -70.2 | 118.3 | 156.1 | -87.9 | -90 | 0 | 0 | 0 | 107.6 | L350 | Y348-L350 PolarHBondContact O-N 3.23Å; Y348-L350 VanDerWaalsContact O-N 3.08Å | ||
| 349 | S | 40.4 | Very low | 38.5 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | -72.5 | 100.1 | 177.5 | -168.5 | 0 | 0 | 0 | 0 | 109.7 | Q347 | Q347-S349 PolarHBondContact O-N 2.94Š| ||
| 350 | L | 42.7 | Very low | 40.4 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | trans | -94.8 | 115.6 | 151.2 | -73.7 | 169.5 | 0 | 0 | 0 | 106.8 | Y348 | Y348-L350 PolarHBondContact O-N 3.23Å; Y348-L350 VanDerWaalsContact O-N 3.08Å | ||
| 351 | K | 30.1 | Very low | 42.5 | Very low | 193 Ų | 193 | 130.9 Ų | 130.9 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 119.7 | 170.1 | -168.7 | 177 | -175.8 | 179.8 | 0 | 109.2 | P353 | K351-P353 WeakPolarHBondContact O-CD 3.38Š|
| 352 | P | 34.3 | Very low | 44.7 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 77% | 0.766 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 129.8 | -176.9 | 27.2 | -31 | 0 | 0 | 0 | 110.1 | ||
| 353 | P | 36.6 | Very low | 46.9 | Very low | 84 Ų | 84 | 126.7 Ų | 126.7 | 55% | 0.545 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -81.3 | 124.4 | 155.8 | 31.3 | -24.1 | 0 | 0 | 0 | 108.6 | K351 | K351-P353 WeakPolarHBondContact O-CD 3.38Š|
| 354 | A | 39.9 | Very low | 49.6 | Very low | 69 Ų | 69 | 120.7 Ų | 120.7 | 57% | 0.57 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 39.1 | 101.8 | 151.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | S356 | A354-S356 PolarHBondContact O-N 2.77Å; A354-S356 PolarHBondContact O-OG 2.83Å |
| 355 | T | 41.6 | Very low | 52.4 | Low | 138 Ų | 138 | 123.4 Ų | 123.4 | 85% | 0.847 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 24.7 | 16.1 | 138 | 59.6 | 0 | 0 | 0 | 0 | 122.7 | ||
| 356 | S | 47.9 | Very low | 55.3 | Low | 99 Ų | 99 | 120.9 Ų | 120.9 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -120.6 | -3 | 175.5 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | A354 | A354-S356 PolarHBondContact O-N 2.77Å; A354-S356 PolarHBondContact O-OG 2.83Å |
| 357 | K | 52.6 | Low | 58.5 | Low | 124 Ų | 124 | 116.7 Ų | 116.7 | 54% | 0.539 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -97.9 | -21.4 | 177 | -64.8 | -173.7 | 178.4 | -171.9 | 0 | 114.6 | Y359 S360 D361 | K357-Y359 PolarHBondContact O-N 3.36Å; K357-S360 WeakPolarHBondContact O-CB 3.28Å; K357-S360 PolarHBondContact O-N 3.31Å; K357-D361 PolarHBondContact O-N 3.21Å; K357-D361 VanDerWaalsContact O-N 3.11Å |
| 358 | I | 55.1 | Low | 61.4 | Low | 116 Ų | 116 | 112.2 Ų | 112.2 | 60% | 0.595 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.6 | -37 | -177.7 | -58.8 | 172.4 | 0 | 0 | 0 | 110.5 | S360 D361 E362 | I358-S360 VanDerWaalsContact C-N 3.3Å; I358-S360 PolarHBondContact O-N 3.07Å; I358-D361 PolarHBondContact O-N 3.24Å; I358-E362 WeakPolarHBondContact O-CG 3.31Å; I358-E362 PolarHBondContact O-N 3.21Å |
| 359 | Y | 51 | Low | 64.3 | Low | 182 Ų | 182 | 104.3 Ų | 104.3 | 71% | 0.714 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.2 | -26.6 | 176.9 | -131.5 | -82.8 | 0 | 0 | 0 | 113.5 | K357 E362 E363 | K357-Y359 PolarHBondContact O-N 3.36Å; Y359-E362 WeakPolarHBondContact CA-OE1 3.39Å; Y359-E362 WeakPolarHBondContact CD2-OE1 2.99Å; Y359-E362 WeakPolarHBondContact CE2-OE1 3.22Å; Y359-E362 WeakPolarHBondContact O-CG 3.21Å; Y359-E363 WeakPolarHBondContact O-CB 3.37Å; Y359-E363 PolarHBondContact O-N 3.13Å |
| 360 | S | 69.8 | Low | 67 | Low | 67 Ų | 67 | 98.7 Ų | 98.7 | 47% | 0.469 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -79.1 | -38.4 | 177.7 | -170.2 | 0 | 0 | 0 | 0 | 111.4 | K357 I358 E364 | K357-S360 WeakPolarHBondContact O-CB 3.28Å; K357-S360 PolarHBondContact O-N 3.31Å; I358-S360 VanDerWaalsContact C-N 3.3Å; I358-S360 PolarHBondContact O-N 3.07Å; S360-E364 WeakPolarHBondContact O-CB 3.41Å; S360-E364 PolarHBondContact O-N 3.21Å |
| 361 | D | 76.9 | Confident | 69.5 | Low | 94 Ų | 94 | 92.5 Ų | 92.5 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.1 | -35.7 | -179 | -62.9 | -7.8 | 0 | 0 | 0 | 111 | K357 I358 L365 | K357-D361 PolarHBondContact O-N 3.21Å; K357-D361 VanDerWaalsContact O-N 3.11Å; I358-D361 PolarHBondContact O-N 3.24Å; D361-L365 WeakPolarHBondContact O-CG 3.48Å; D361-L365 PolarHBondContact O-N 3.28Å; D361-L365 VanDerWaalsContact O-N 3.14Å |
| 362 | E | 84.4 | Confident | 72.6 | Confident | 85 Ų | 85 | 89 Ų | 89 | 40% | 0.397 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.3 | -36.4 | 175 | 67.9 | -169.7 | 175.9 | 0 | 0 | 112.9 | I358 Y359 E364 L365 L366 | I358-E362 WeakPolarHBondContact O-CG 3.31Å; I358-E362 PolarHBondContact O-N 3.21Å; Y359-E362 WeakPolarHBondContact CA-OE1 3.39Å; Y359-E362 WeakPolarHBondContact CD2-OE1 2.99Å; Y359-E362 WeakPolarHBondContact CE2-OE1 3.22Å; Y359-E362 WeakPolarHBondContact O-CG 3.21Å; E362-E364 VanDerWaalsContact C-N 3.35Å; E362-L365 PolarHBondContact O-N 2.9Å; E362-L366 PolarHBondContact O-N 2.89Å |
| 363 | E | 87.8 | Confident | 75.5 | Confident | 61 Ų | 61 | 86.8 Ų | 86.8 | 29% | 0.285 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 172.3 | -158.2 | -161.7 | 143.3 | 0 | 0 | 110.7 | Y359 L365 L366 Y367 K407 | Y359-E363 WeakPolarHBondContact O-CB 3.37Å; Y359-E363 PolarHBondContact O-N 3.13Å; E363-L365 VanDerWaalsContact C-N 3.34Å; E363-L365 PolarHBondContact O-N 3.42Å; E363-L366 WeakPolarHBondContact O-CB 3.45Å; E363-L366 PolarHBondContact O-N 3.2Å; E363-L366 VanDerWaalsContact O-N 3.13Å; E363-Y367 HydrophobicContact CG-CD2 4.41Å; E363-Y367 HydrophobicContact CG-CE2 3.62Å; E363-Y367 WeakPolarHBondContact O-CD2 3.36Å; E363-Y367 PolarHBondContact O-N 3.37Å; E363-Y367 WeakPolarHBondContact OE1-CE2 3.4Å; E363-Y367 PolarHBondContact OE1-OH 3.45Å; E363-K407 IonicContact OE1-NZ 2.7Å; E363-K407 PolarHBondContact OE1-NZ 3.47Å; E363-K407 IonicContact OE2-NZ 2.8Å |
| 364 | E | 90.7 | Very high | 78.3 | Confident | 112 Ų | 112 | 82.8 Ų | 82.8 | 52% | 0.523 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 175.6 | -171.3 | 177 | 173.4 | 0 | 0 | 112.2 | S360 E362 L366 Y367 L368 | S360-E364 WeakPolarHBondContact O-CB 3.41Å; S360-E364 PolarHBondContact O-N 3.21Å; E362-E364 VanDerWaalsContact C-N 3.35Å; E364-L366 VanDerWaalsContact C-N 3.27Å; E364-L366 PolarHBondContact O-N 3.4Å; E364-Y367 PolarHBondContact O-N 2.92Å; E364-L368 WeakPolarHBondContact O-CG 3.4Å; E364-L368 PolarHBondContact O-N 3.27Å |
| 365 | L | 92 | Very high | 80.9 | Confident | 114 Ų | 114 | 81.4 Ų | 81.4 | 60% | 0.597 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61.2 | -34.9 | 175.2 | -72.7 | 172.1 | 0 | 0 | 0 | 112.7 | D361 E362 E363 L368 S369 | D361-L365 WeakPolarHBondContact O-CG 3.48Å; D361-L365 PolarHBondContact O-N 3.28Å; D361-L365 VanDerWaalsContact O-N 3.14Å; E362-L365 PolarHBondContact O-N 2.9Å; E363-L365 VanDerWaalsContact C-N 3.34Å; E363-L365 PolarHBondContact O-N 3.42Å; L365-L368 HydrophobicContact CD2-CD1 4.42Å; L365-L368 PolarHBondContact O-N 3.45Å; L365-S369 WeakPolarHBondContact O-CB 3.41Å; L365-S369 PolarHBondContact O-N 3.37Å |
| 366 | L | 92.2 | Very high | 83.4 | Confident | 81 Ų | 81 | 77.8 Ų | 77.8 | 42% | 0.424 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 175.7 | -64.4 | 169 | 0 | 0 | 0 | 111.7 | E362 E363 E364 L368 S369 F370 L403 | E362-L366 PolarHBondContact O-N 2.89Å; E363-L366 WeakPolarHBondContact O-CB 3.45Å; E363-L366 PolarHBondContact O-N 3.2Å; E363-L366 VanDerWaalsContact O-N 3.13Å; E364-L366 VanDerWaalsContact C-N 3.27Å; E364-L366 PolarHBondContact O-N 3.4Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L366-S369 PolarHBondContact O-N 3.1Å; L366-F370 WeakPolarHBondContact O-CB 3.45Å; L366-F370 PolarHBondContact O-N 3.02Å; L366-L403 HydrophobicContact CB-CD1 4.48Å; L366-L403 HydrophobicContact CB-CD2 3.44Å; L366-L403 VanDerWaalsContact CB-CD2 3.44Å; L366-L403 HydrophobicContact CB-CG 4.47Å; L366-L403 HydrophobicContact CD1-CD2 4.16Å; L366-L403 HydrophobicContact CG-CD2 4.43Å |
| 367 | Y | 95.1 | Very high | 85.6 | Confident | 22 Ų | 22 | 75.7 Ų | 75.7 | 9% | 0.086 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.6 | -34.1 | 173 | -65.5 | -72.9 | 0 | 0 | 0 | 112.6 | E363 E364 F370 I371 L403 E404 K407 M408 | E363-Y367 HydrophobicContact CG-CD2 4.41Å; E363-Y367 HydrophobicContact CG-CE2 3.62Å; E363-Y367 WeakPolarHBondContact O-CD2 3.36Å; E363-Y367 PolarHBondContact O-N 3.37Å; E363-Y367 WeakPolarHBondContact OE1-CE2 3.4Å; E363-Y367 PolarHBondContact OE1-OH 3.45Å; E364-Y367 PolarHBondContact O-N 2.92Å; Y367-F370 WeakPolarHBondContact O-CB 3.42Å; Y367-F370 PolarHBondContact O-N 3.09Å; Y367-I371 PolarHBondContact O-N 3.44Å; Y367-I371 VanDerWaalsContact O-N 3.09Å; Y367-L403 HydrophobicContact CD1-CB 4.36Å; Y367-L403 HydrophobicContact CD1-CD1 4.21Å; Y367-L403 HydrophobicContact CD1-CD2 4.2Å; Y367-L403 HydrophobicContact CD1-CG 4.48Å; Y367-L403 HydrophobicContact CE1-CB 3.78Å; Y367-L403 HydrophobicContact CE1-CD1 4.44Å; Y367-L403 HydrophobicContact CE1-CD2 3.96Å; Y367-L403 HydrophobicContact CE1-CG 4.25Å; Y367-L403 HydrophobicContact CE2-CD2 4.36Å; Y367-L403 HydrophobicContact CG-CD2 4.46Å; Y367-E404 WeakPolarHBondContact OH-CB 3.46Å; Y367-E404 PolarHBondContact OH-N 2.93Å; Y367-K407 HydrophobicContact CD1-CB 4.26Å; Y367-K407 HydrophobicContact CE1-CB 3.65Å; Y367-K407 HydrophobicContact CE1-CD 4.16Å; Y367-K407 HydrophobicContact CE2-CD 3.77Å; Y367-K407 WeakPolarHBondContact OH-CD 3.32Å; Y367-M408 HydrophobicContact CD1-CG 4.17Å; Y367-M408 HydrophobicContact CE1-CG 4.02Å |
| 368 | L | 95.3 | Very high | 87.5 | Confident | 98 Ų | 98 | 70 Ų | 70 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.6 | -45.7 | 174.2 | -71 | 174.8 | 0 | 0 | 0 | 111.5 | E364 L365 L366 F370 I371 E372 | E364-L368 WeakPolarHBondContact O-CG 3.4Å; E364-L368 PolarHBondContact O-N 3.27Å; L365-L368 HydrophobicContact CD2-CD1 4.42Å; L365-L368 PolarHBondContact O-N 3.45Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L368-F370 VanDerWaalsContact C-N 3.27Å; L368-F370 PolarHBondContact O-N 2.91Å; L368-I371 PolarHBondContact O-N 3.35Å; L368-E372 PolarHBondContact O-N 3.4Å |
| 369 | S | 94.1 | Very high | 89.3 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 37% | 0.371 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 173.8 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | L365 L366 I371 E372 D373 | L365-S369 WeakPolarHBondContact O-CB 3.41Å; L365-S369 PolarHBondContact O-N 3.37Å; L366-S369 PolarHBondContact O-N 3.1Å; S369-I371 VanDerWaalsContact C-N 3.35Å; S369-I371 PolarHBondContact O-N 3.38Å; S369-E372 WeakPolarHBondContact O-CB 3.23Å; S369-E372 PolarHBondContact O-N 2.95Å; S369-D373 PolarHBondContact O-N 3.3Å |
| 370 | F | 96 | Very high | 91.3 | Very high | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.009 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 175.9 | 164.4 | -104.3 | 0 | 0 | 0 | 112.6 | L366 Y367 L368 D373 V374 H396 N400 L403 M408 L412 | L366-F370 WeakPolarHBondContact O-CB 3.45Å; L366-F370 PolarHBondContact O-N 3.02Å; Y367-F370 WeakPolarHBondContact O-CB 3.42Å; Y367-F370 PolarHBondContact O-N 3.09Å; L368-F370 VanDerWaalsContact C-N 3.27Å; L368-F370 PolarHBondContact O-N 2.91Å; F370-D373 PolarHBondContact O-N 3.34Å; F370-V374 HydrophobicContact CD2-CG2 4.35Å; F370-V374 HydrophobicContact CE1-CG2 4.49Å; F370-V374 HydrophobicContact CE2-CG2 4.02Å; F370-V374 HydrophobicContact CZ-CG2 4.09Å; F370-V374 VanDerWaalsContact O-CG2 3.23Å; F370-V374 WeakPolarHBondContact O-CG2 3.39Å; F370-V374 PolarHBondContact O-N 2.91Å; F370-V374 VanDerWaalsContact O-N 3.07Å; F370-H396 HydrophobicContact CE2-CB 3.78Å; F370-H396 HydrophobicContact CZ-CB 4.34Å; F370-N400 HydrophobicContact CD2-CB 4.12Å; F370-N400 WeakPolarHBondContact CD2-ND2 3.44Å; F370-N400 HydrophobicContact CE2-CB 4.34Å; F370-L403 HydrophobicContact CB-CD1 3.76Å; F370-L403 HydrophobicContact CD2-CD1 4.49Å; F370-L403 HydrophobicContact CG-CD1 4.18Å; F370-M408 HydrophobicContact CD1-CG 4.34Å; F370-M408 HydrophobicContact CD2-CE 3.81Å; F370-M408 HydrophobicContact CE1-CB 3.84Å; F370-M408 HydrophobicContact CE1-CE 4.16Å; F370-M408 HydrophobicContact CE1-CG 4.01Å; F370-M408 HydrophobicContact CE2-CE 3.19Å; F370-M408 HydrophobicContact CG-CE 4.47Å; F370-M408 HydrophobicContact CZ-CB 3.94Å; F370-M408 HydrophobicContact CZ-CE 3.4Å; F370-M408 HydrophobicContact CZ-CG 4.14Å; F370-L412 HydrophobicContact CE1-CD1 4.11Å; F370-L412 HydrophobicContact CE1-CD2 4.01Å; F370-L412 HydrophobicContact CE1-CG 3.86Å; F370-L412 HydrophobicContact CZ-CD1 3.7Å; F370-L412 HydrophobicContact CZ-CD2 4.14Å; F370-L412 HydrophobicContact CZ-CG 3.97Å |
| 371 | I | 96.3 | Very high | 92.2 | Very high | 30 Ų | 30 | 70.1 Ų | 70.1 | 15% | 0.154 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.1 | -35.3 | 176 | -69.6 | -53.6 | 0 | 0 | 0 | 112.6 | Y367 L368 S369 D373 V374 T375 L411 L412 | Y367-I371 PolarHBondContact O-N 3.44Å; Y367-I371 VanDerWaalsContact O-N 3.09Å; L368-I371 PolarHBondContact O-N 3.35Å; S369-I371 VanDerWaalsContact C-N 3.35Å; S369-I371 PolarHBondContact O-N 3.38Å; I371-D373 VanDerWaalsContact C-N 3.33Å; I371-V374 PolarHBondContact O-N 3.23Å; I371-T375 HydrophobicContact CG2-CG2 3.95Å; I371-T375 WeakPolarHBondContact O-CB 3.48Å; I371-T375 VanDerWaalsContact O-CG2 3.28Å; I371-T375 WeakPolarHBondContact O-CG2 3.43Å; I371-T375 PolarHBondContact O-N 3.47Å; I371-T375 PolarHBondContact O-OG1 3.34Å; I371-L411 HydrophobicContact CB-CD2 4.41Å; I371-L411 HydrophobicContact CD1-CB 4.26Å; I371-L411 HydrophobicContact CD1-CD2 3.77Å; I371-L411 HydrophobicContact CD1-CG 3.58Å; I371-L411 HydrophobicContact CG1-CB 4.47Å; I371-L411 HydrophobicContact CG1-CD1 4.28Å; I371-L411 HydrophobicContact CG1-CD2 3.13Å; I371-L411 HydrophobicContact CG1-CG 3.37Å; I371-L412 HydrophobicContact CD1-CD2 3.72Å; I371-L412 HydrophobicContact CD1-CG 4.39Å |
| 372 | E | 95.2 | Very high | 92.6 | Very high | 121 Ų | 121 | 67.7 Ų | 67.7 | 57% | 0.565 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -54.6 | -52.5 | 170.5 | -174.8 | 174 | -172.7 | 0 | 0 | 109.9 | L368 S369 V374 T375 D376 | L368-E372 PolarHBondContact O-N 3.4Å; S369-E372 WeakPolarHBondContact O-CB 3.23Å; S369-E372 PolarHBondContact O-N 2.95Å; E372-V374 PolarHBondContact O-N 3.47Å; E372-T375 PolarHBondContact O-N 3Å; E372-T375 PolarHBondContact O-OG1 2.84Å; E372-D376 VanDerWaalsContact O-CB 3.25Å; E372-D376 WeakPolarHBondContact O-CB 3.43Å; E372-D376 PolarHBondContact O-N 2.94Å |
| 373 | D | 95.2 | Very high | 92.4 | Very high | 71 Ų | 71 | 68 Ų | 68 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 179.1 | -69.5 | -26.3 | 0 | 0 | 0 | 113 | S369 F370 I371 E377 | S369-D373 PolarHBondContact O-N 3.3Å; F370-D373 PolarHBondContact O-N 3.34Å; I371-D373 VanDerWaalsContact C-N 3.33Å; D373-E377 PolarHBondContact O-N 2.87Å |
| 374 | V | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.1 | -48.1 | 178.7 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | F370 I371 E372 D376 E377 I378 F393 H396 L412 L415 | F370-V374 HydrophobicContact CD2-CG2 4.35Å; F370-V374 HydrophobicContact CE1-CG2 4.49Å; F370-V374 HydrophobicContact CE2-CG2 4.02Å; F370-V374 HydrophobicContact CZ-CG2 4.09Å; F370-V374 VanDerWaalsContact O-CG2 3.23Å; F370-V374 WeakPolarHBondContact O-CG2 3.39Å; F370-V374 PolarHBondContact O-N 2.91Å; F370-V374 VanDerWaalsContact O-N 3.07Å; I371-V374 PolarHBondContact O-N 3.23Å; E372-V374 PolarHBondContact O-N 3.47Å; V374-D376 VanDerWaalsContact C-N 3.34Å; V374-E377 PolarHBondContact O-N 3.29Å; V374-I378 HydrophobicContact CG1-CD1 4Å; V374-I378 VanDerWaalsContact O-CG1 3.28Å; V374-I378 WeakPolarHBondContact O-CG1 3.36Å; V374-I378 PolarHBondContact O-N 2.92Å; V374-F393 HydrophobicContact CG1-CD1 3.95Å; V374-F393 HydrophobicContact CG1-CE1 3.73Å; V374-H396 HydrophobicContact CG2-CB 3.72Å; V374-H396 VanDerWaalsContact CG2-CG 3.45Å; V374-L412 HydrophobicContact CB-CD2 4.31Å; V374-L412 HydrophobicContact CG1-CD2 3.77Å; V374-L412 HydrophobicContact CG2-CD2 4.06Å; V374-L415 HydrophobicContact CG1-CD2 4.02Å |
| 375 | T | 94.6 | Very high | 92 | Very high | 40 Ų | 40 | 68.1 Ų | 68.1 | 25% | 0.245 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67 | -37.3 | -179 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | I371 E372 I378 L379 L415 | I371-T375 HydrophobicContact CG2-CG2 3.95Å; I371-T375 WeakPolarHBondContact O-CB 3.48Å; I371-T375 VanDerWaalsContact O-CG2 3.28Å; I371-T375 WeakPolarHBondContact O-CG2 3.43Å; I371-T375 PolarHBondContact O-N 3.47Å; I371-T375 PolarHBondContact O-OG1 3.34Å; E372-T375 PolarHBondContact O-N 3Å; E372-T375 PolarHBondContact O-OG1 2.84Å; T375-I378 PolarHBondContact O-N 2.82Å; T375-L379 WeakPolarHBondContact O-CB 3.46Å; T375-L379 WeakPolarHBondContact O-CG 3.41Å; T375-L379 PolarHBondContact O-N 2.67Å; T375-L415 HydrophobicContact CG2-CD1 3.83Å; T375-L415 HydrophobicContact CG2-CD2 3.75Å; T375-L415 HydrophobicContact CG2-CG 4.46Å |
| 376 | D | 95.3 | Very high | 91.7 | Very high | 62 Ų | 62 | 65.3 Ų | 65.3 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 171.3 | -107.7 | 23.2 | 0 | 0 | 0 | 112.1 | E372 V374 L379 K380 | E372-D376 VanDerWaalsContact O-CB 3.25Å; E372-D376 WeakPolarHBondContact O-CB 3.43Å; E372-D376 PolarHBondContact O-N 2.94Å; V374-D376 VanDerWaalsContact C-N 3.34Å; D376-L379 PolarHBondContact O-N 3.4Å; D376-K380 VanDerWaalsContact O-CB 3.3Å; D376-K380 WeakPolarHBondContact O-CB 3.24Å; D376-K380 WeakPolarHBondContact O-CD 3.4Å; D376-K380 WeakPolarHBondContact O-CG 3.47Å; D376-K380 PolarHBondContact O-N 3.3Å; D376-K380 IonicContact OD2-NZ 2.82Å; D376-K380 PolarHBondContact OD2-NZ 3.41Å |
| 377 | E | 93.6 | Very high | 91.7 | Very high | 54 Ų | 54 | 69.2 Ų | 69.2 | 25% | 0.252 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 177.3 | -78 | -166.2 | -166.8 | 0 | 0 | 112.4 | D373 V374 L379 K380 L381 L392 H396 | D373-E377 PolarHBondContact O-N 2.87Å; V374-E377 PolarHBondContact O-N 3.29Å; E377-L379 VanDerWaalsContact C-N 3.34Å; E377-K380 PolarHBondContact O-N 2.9Å; E377-L381 WeakPolarHBondContact O-CB 3.39Å; E377-L381 VanDerWaalsContact O-CG 3.3Å; E377-L381 WeakPolarHBondContact O-CG 3.47Å; E377-L381 PolarHBondContact O-N 2.86Å; E377-L392 HydrophobicContact CB-CD1 4.19Å; E377-L392 WeakPolarHBondContact OE2-CD1 3.19Å; E377-H396 IonicContact OE1-CE1 3.97Å; E377-H396 PolarHBondContact OE1-CE1 3.17Å; E377-H396 IonicContact OE1-NE2 2.67Å; E377-H396 PolarHBondContact OE1-NE2 3.2Å; E377-H396 IonicContact OE2-CD2 2.78Å; E377-H396 IonicContact OE2-CE1 2.82Å; E377-H396 IonicContact OE2-NE2 2.92Å; E377-H396 PolarHBondContact OE2-NE2 3.48Å |
| 378 | I | 93.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.2 | -48 | 172.7 | -67.6 | 169 | 0 | 0 | 0 | 110.1 | V374 T375 L381 G382 F384 L389 L392 F393 L415 L419 | V374-I378 HydrophobicContact CG1-CD1 4Å; V374-I378 VanDerWaalsContact O-CG1 3.28Å; V374-I378 WeakPolarHBondContact O-CG1 3.36Å; V374-I378 PolarHBondContact O-N 2.92Å; T375-I378 PolarHBondContact O-N 2.82Å; I378-L381 PolarHBondContact O-N 2.78Å; I378-G382 PolarHBondContact O-N 2.85Å; I378-F384 HydrophobicContact CG2-CD1 3.58Å; I378-F384 HydrophobicContact CG2-CE1 3.26Å; I378-F384 HydrophobicContact CG2-CZ 4.13Å; I378-L389 HydrophobicContact CD1-CD2 3.71Å; I378-L389 HydrophobicContact CG1-CD2 3.82Å; I378-L389 HydrophobicContact CG2-CD2 4.46Å; I378-L392 HydrophobicContact CB-CD2 4.49Å; I378-L392 HydrophobicContact CD1-CD2 4.15Å; I378-L392 HydrophobicContact CG1-CD2 3.32Å; I378-F393 HydrophobicContact CD1-CE1 4.14Å; I378-L415 HydrophobicContact CD1-CD2 4.14Å; I378-L419 HydrophobicContact CD1-CD1 4.04Å |
| 379 | L | 92.4 | Very high | 91.3 | Very high | 124 Ų | 124 | 65.9 Ų | 65.9 | 65% | 0.649 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.1 | -40.5 | -179.2 | -69 | 172.4 | 0 | 0 | 0 | 112.1 | T375 D376 E377 | T375-L379 WeakPolarHBondContact O-CB 3.46Å; T375-L379 WeakPolarHBondContact O-CG 3.41Å; T375-L379 PolarHBondContact O-N 2.67Å; D376-L379 PolarHBondContact O-N 3.4Å; E377-L379 VanDerWaalsContact C-N 3.34Å |
| 380 | K | 92.9 | Very high | 91.2 | Very high | 151 Ų | 151 | 67.3 Ų | 67.3 | 66% | 0.657 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 177 | -75.4 | 162.7 | -169.7 | 157.4 | 0 | 111.9 | D376 E377 | D376-K380 VanDerWaalsContact O-CB 3.3Å; D376-K380 WeakPolarHBondContact O-CB 3.24Å; D376-K380 WeakPolarHBondContact O-CD 3.4Å; D376-K380 WeakPolarHBondContact O-CG 3.47Å; D376-K380 PolarHBondContact O-N 3.3Å; D376-K380 IonicContact OD2-NZ 2.82Å; D376-K380 PolarHBondContact OD2-NZ 3.41Å; E377-K380 PolarHBondContact O-N 2.9Å |
| 381 | L | 88.7 | Confident | 91 | Very high | 94 Ų | 94 | 74.6 Ų | 74.6 | 49% | 0.492 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -87.1 | -25.2 | -177.2 | -64.7 | 171 | 0 | 0 | 0 | 112.4 | E377 I378 L383 F388 | E377-L381 WeakPolarHBondContact O-CB 3.39Å; E377-L381 VanDerWaalsContact O-CG 3.3Å; E377-L381 WeakPolarHBondContact O-CG 3.47Å; E377-L381 PolarHBondContact O-N 2.86Å; I378-L381 PolarHBondContact O-N 2.78Å; L381-L383 PolarHBondContact O-N 3.38Å; L381-F388 HydrophobicContact CB-CZ 4.2Å; L381-F388 HydrophobicContact CD1-CE1 4.42Å; L381-F388 HydrophobicContact CD1-CE2 4.27Å; L381-F388 HydrophobicContact CD1-CZ 3.51Å; L381-F388 HydrophobicContact CG-CZ 4.47Å |
| 382 | G | 84.9 | Confident | 90.9 | Very high | 43 Ų | 43 | 73.5 Ų | 73.5 | 44% | 0.443 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 19.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I378 | I378-G382 PolarHBondContact O-N 2.85Š|
| 383 | L | 80.4 | Confident | 90.9 | Very high | 92 Ų | 92 | 68.4 Ų | 68.4 | 48% | 0.482 | 34% | 0.338 | S | S | . | . | trans | -107 | 114.4 | -178.8 | -61.8 | 179.3 | 0 | 0 | 0 | 109.5 | L381 F388 | L381-L383 PolarHBondContact O-N 3.38Å; L383-F388 HydrophobicContact CB-CD1 3.62Å; L383-F388 HydrophobicContact CB-CD2 4.24Å; L383-F388 HydrophobicContact CB-CE1 3.84Å; L383-F388 HydrophobicContact CB-CE2 4.44Å; L383-F388 HydrophobicContact CB-CG 3.84Å; L383-F388 HydrophobicContact CB-CZ 4.27Å; L383-F388 HydrophobicContact CD1-CD2 3.87Å; L383-F388 HydrophobicContact CD1-CE2 3.9Å; L383-F388 HydrophobicContact CD1-CG 4.31Å; L383-F388 HydrophobicContact CD1-CZ 4.35Å; L383-F388 WeakPolarHBondContact O-CD1 3.49Å; L383-F388 WeakPolarHBondContact O-CE1 3.34Å | ||
| 384 | F | 83.3 | Confident | 90.8 | Very high | 102 Ų | 102 | 68.2 Ų | 68.2 | 45% | 0.447 | 34% | 0.335 | S | S | . | . | trans | -113.2 | 20 | -176.2 | -55.6 | -85.4 | 0 | 0 | 0 | 113.2 | I378 L419 | I378-F384 HydrophobicContact CG2-CD1 3.58Å; I378-F384 HydrophobicContact CG2-CE1 3.26Å; I378-F384 HydrophobicContact CG2-CZ 4.13Å; F384-L419 HydrophobicContact CD1-CD2 4.3Å; F384-L419 HydrophobicContact CE1-CD2 4.48Å | ||
| 385 | S | 86.6 | Confident | 90.8 | Very high | 73 Ų | 73 | 75.3 Ų | 75.3 | 51% | 0.51 | 36% | 0.362 | S | S | . | . | trans | -73.8 | 139.7 | 178.5 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | R387 F388 L389 | S385-R387 VanDerWaalsContact C-N 3.27Å; S385-R387 PolarHBondContact O-N 3.45Å; S385-F388 WeakPolarHBondContact O-CA 3.41Å; S385-F388 WeakPolarHBondContact O-CB 3.22Å; S385-F388 PolarHBondContact O-N 3.3Å; S385-L389 PolarHBondContact O-N 3.16Å | ||
| 386 | N | 87.1 | Confident | 90.7 | Very high | 55 Ų | 55 | 73.6 Ų | 73.6 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -48.1 | -47.4 | 176.9 | -69.6 | -2.5 | 0 | 0 | 0 | 112.7 | F388 L389 E390 C421 T422 | N386-F388 VanDerWaalsContact C-N 3.28Å; N386-F388 PolarHBondContact O-N 2.97Å; N386-L389 PolarHBondContact O-N 3.17Å; N386-E390 WeakPolarHBondContact O-CG 3.3Å; N386-E390 PolarHBondContact O-N 3.35Å; N386-C421 WeakPolarHBondContact OD1-CA 3.45Å; N386-C421 WeakPolarHBondContact OD1-CB 3.47Å; N386-C421 PolarHBondContact OD1-SG 3.29Å; N386-T422 PolarHBondContact ND2-O 3.11Å |
| 387 | R | 90.5 | Very high | 90.6 | Very high | 162 Ų | 162 | 71.3 Ų | 71.3 | 61% | 0.611 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.7 | -35 | 179.2 | -177.4 | -175.3 | 178.8 | -160.2 | 6.1 | 112.8 | S385 R391 | S385-R387 VanDerWaalsContact C-N 3.27Å; S385-R387 PolarHBondContact O-N 3.45Å; R387-R391 WeakPolarHBondContact O-CG 3.47Å; R387-R391 PolarHBondContact O-N 2.83Å |
| 388 | F | 90.3 | Very high | 90.5 | Very high | 51 Ų | 51 | 75.5 Ų | 75.5 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -74.9 | -47.3 | 178.8 | 174.2 | -93.6 | 0 | 0 | 0 | 110.5 | L381 L383 S385 N386 E390 R391 L392 | L381-F388 HydrophobicContact CB-CZ 4.2Å; L381-F388 HydrophobicContact CD1-CE1 4.42Å; L381-F388 HydrophobicContact CD1-CE2 4.27Å; L381-F388 HydrophobicContact CD1-CZ 3.51Å; L381-F388 HydrophobicContact CG-CZ 4.47Å; L383-F388 HydrophobicContact CB-CD1 3.62Å; L383-F388 HydrophobicContact CB-CD2 4.24Å; L383-F388 HydrophobicContact CB-CE1 3.84Å; L383-F388 HydrophobicContact CB-CE2 4.44Å; L383-F388 HydrophobicContact CB-CG 3.84Å; L383-F388 HydrophobicContact CB-CZ 4.27Å; L383-F388 HydrophobicContact CD1-CD2 3.87Å; L383-F388 HydrophobicContact CD1-CE2 3.9Å; L383-F388 HydrophobicContact CD1-CG 4.31Å; L383-F388 HydrophobicContact CD1-CZ 4.35Å; L383-F388 WeakPolarHBondContact O-CD1 3.49Å; L383-F388 WeakPolarHBondContact O-CE1 3.34Å; S385-F388 WeakPolarHBondContact O-CA 3.41Å; S385-F388 WeakPolarHBondContact O-CB 3.22Å; S385-F388 PolarHBondContact O-N 3.3Å; N386-F388 VanDerWaalsContact C-N 3.28Å; N386-F388 PolarHBondContact O-N 2.97Å; F388-E390 VanDerWaalsContact C-N 3.32Å; F388-E390 PolarHBondContact O-N 3.43Å; F388-R391 PolarHBondContact O-N 3.44Å; F388-R391 VanDerWaalsContact O-N 3.14Å; F388-L392 HydrophobicContact CE1-CB 4.29Å; F388-L392 HydrophobicContact CE1-CD2 4.01Å; F388-L392 HydrophobicContact CZ-CB 4.47Å; F388-L392 HydrophobicContact CZ-CD2 4.49Å; F388-L392 WeakPolarHBondContact O-CB 3.45Å; F388-L392 PolarHBondContact O-N 3.2Å |
| 389 | L | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 177.7 | -68.7 | 177.7 | 0 | 0 | 0 | 111.5 | I378 S385 N386 R391 L392 F393 L419 C421 | I378-L389 HydrophobicContact CD1-CD2 3.71Å; I378-L389 HydrophobicContact CG1-CD2 3.82Å; I378-L389 HydrophobicContact CG2-CD2 4.46Å; S385-L389 PolarHBondContact O-N 3.16Å; N386-L389 PolarHBondContact O-N 3.17Å; L389-R391 VanDerWaalsContact C-N 3.35Å; L389-R391 PolarHBondContact O-N 3.08Å; L389-L392 WeakPolarHBondContact O-CB 3.47Å; L389-L392 PolarHBondContact O-N 3.14Å; L389-F393 HydrophobicContact CB-CD2 4.45Å; L389-F393 HydrophobicContact CB-CE2 3.96Å; L389-F393 HydrophobicContact CB-CZ 4.02Å; L389-F393 HydrophobicContact CD2-CE1 4.4Å; L389-F393 HydrophobicContact CD2-CZ 4.24Å; L389-F393 VanDerWaalsContact O-CB 3.22Å; L389-F393 WeakPolarHBondContact O-CB 3.35Å; L389-F393 WeakPolarHBondContact O-CD1 3.46Å; L389-F393 VanDerWaalsContact O-CD2 3.31Å; L389-F393 WeakPolarHBondContact O-CD2 3.2Å; L389-F393 WeakPolarHBondContact O-CG 3.12Å; L389-F393 PolarHBondContact O-N 3.18Å; L389-L419 HydrophobicContact CD1-CD1 3.91Å; L389-L419 HydrophobicContact CD2-CD1 4.23Å; L389-C421 HydrophobicContact CD1-CB 4.14Å; L389-C421 WeakPolarHBondContact CD1-SG 3.46Å |
| 390 | E | 91.8 | Very high | 90.1 | Very high | 83 Ų | 83 | 75.3 Ų | 75.3 | 39% | 0.388 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 175.9 | -75.5 | 166.4 | -170.4 | 0 | 0 | 112.6 | N386 F388 E394 K416 | N386-E390 WeakPolarHBondContact O-CG 3.3Å; N386-E390 PolarHBondContact O-N 3.35Å; F388-E390 VanDerWaalsContact C-N 3.32Å; F388-E390 PolarHBondContact O-N 3.43Å; E390-E394 WeakPolarHBondContact O-CB 3.37Å; E390-E394 PolarHBondContact O-N 3.13Å; E390-K416 IonicContact OE1-NZ 2.76Å; E390-K416 PolarHBondContact OE1-NZ 2.85Å |
| 391 | R | 92.4 | Very high | 89.8 | Confident | 154 Ų | 154 | 77 Ų | 77 | 58% | 0.581 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.5 | -37.5 | 176.7 | -71.6 | 172.8 | 173.9 | -172.6 | -8.8 | 112.5 | R387 F388 L389 R395 | R387-R391 WeakPolarHBondContact O-CG 3.47Å; R387-R391 PolarHBondContact O-N 2.83Å; F388-R391 PolarHBondContact O-N 3.44Å; F388-R391 VanDerWaalsContact O-N 3.14Å; L389-R391 VanDerWaalsContact C-N 3.35Å; L389-R391 PolarHBondContact O-N 3.08Å; R391-R395 WeakPolarHBondContact O-CB 3.43Å; R391-R395 PolarHBondContact O-N 3.02Å |
| 392 | L | 94.3 | Very high | 89.5 | Confident | 8 Ų | 8 | 78.5 Ų | 78.5 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.7 | -49.8 | 177.6 | -179.8 | 68.4 | 0 | 0 | 0 | 110.5 | E377 I378 F388 L389 E394 R395 H396 | E377-L392 HydrophobicContact CB-CD1 4.19Å; E377-L392 WeakPolarHBondContact OE2-CD1 3.19Å; I378-L392 HydrophobicContact CB-CD2 4.49Å; I378-L392 HydrophobicContact CD1-CD2 4.15Å; I378-L392 HydrophobicContact CG1-CD2 3.32Å; F388-L392 HydrophobicContact CE1-CB 4.29Å; F388-L392 HydrophobicContact CE1-CD2 4.01Å; F388-L392 HydrophobicContact CZ-CB 4.47Å; F388-L392 HydrophobicContact CZ-CD2 4.49Å; F388-L392 WeakPolarHBondContact O-CB 3.45Å; F388-L392 PolarHBondContact O-N 3.2Å; L389-L392 WeakPolarHBondContact O-CB 3.47Å; L389-L392 PolarHBondContact O-N 3.14Å; L392-E394 VanDerWaalsContact C-N 3.35Å; L392-E394 PolarHBondContact O-N 3.27Å; L392-R395 WeakPolarHBondContact O-CB 3.07Å; L392-R395 PolarHBondContact O-N 3.19Å; L392-R395 VanDerWaalsContact O-N 3.12Å; L392-H396 PolarHBondContact O-CD2 3.5Å; L392-H396 PolarHBondContact O-N 3.25Å |
| 393 | F | 94.3 | Very high | 89.8 | Confident | 13 Ų | 13 | 77.2 Ų | 77.2 | 6% | 0.057 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.2 | -48.3 | 175.6 | -68.5 | -9.5 | 0 | 0 | 0 | 111.1 | V374 I378 L389 R395 H396 I397 L412 L415 K416 | V374-F393 HydrophobicContact CG1-CD1 3.95Å; V374-F393 HydrophobicContact CG1-CE1 3.73Å; I378-F393 HydrophobicContact CD1-CE1 4.14Å; L389-F393 HydrophobicContact CB-CD2 4.45Å; L389-F393 HydrophobicContact CB-CE2 3.96Å; L389-F393 HydrophobicContact CB-CZ 4.02Å; L389-F393 HydrophobicContact CD2-CE1 4.4Å; L389-F393 HydrophobicContact CD2-CZ 4.24Å; L389-F393 VanDerWaalsContact O-CB 3.22Å; L389-F393 WeakPolarHBondContact O-CB 3.35Å; L389-F393 WeakPolarHBondContact O-CD1 3.46Å; L389-F393 VanDerWaalsContact O-CD2 3.31Å; L389-F393 WeakPolarHBondContact O-CD2 3.2Å; L389-F393 WeakPolarHBondContact O-CG 3.12Å; L389-F393 PolarHBondContact O-N 3.18Å; F393-R395 VanDerWaalsContact C-N 3.26Å; F393-R395 PolarHBondContact O-N 3.36Å; F393-H396 PolarHBondContact O-N 3.17Å; F393-I397 WeakPolarHBondContact O-CB 3.18Å; F393-I397 VanDerWaalsContact O-CG1 3.24Å; F393-I397 WeakPolarHBondContact O-CG1 3.32Å; F393-I397 PolarHBondContact O-N 3.16Å; F393-L412 HydrophobicContact CB-CD1 3.75Å; F393-L412 HydrophobicContact CD1-CB 4.45Å; F393-L412 HydrophobicContact CD1-CD1 4.08Å; F393-L412 HydrophobicContact CD1-CD2 3.63Å; F393-L412 HydrophobicContact CD1-CG 4.27Å; F393-L412 HydrophobicContact CD2-CB 4.24Å; F393-L412 HydrophobicContact CE1-CD2 3.79Å; F393-L412 HydrophobicContact CE2-CB 4.49Å; F393-L412 HydrophobicContact CG-CB 4.22Å; F393-L412 HydrophobicContact CG-CD1 3.91Å; F393-L412 HydrophobicContact CG-CD2 4.19Å; F393-L412 HydrophobicContact CG-CG 4.34Å; F393-L412 HydrophobicContact CZ-CD2 4.47Å; F393-L415 HydrophobicContact CE1-CD2 4.27Å; F393-L415 HydrophobicContact CZ-CD2 4.43Å; F393-K416 HydrophobicContact CE2-CB 3.98Å; F393-K416 HydrophobicContact CE2-CD 4.4Å; F393-K416 HydrophobicContact CE2-CG 4.22Å |
| 394 | E | 94.4 | Very high | 90.2 | Very high | 68 Ų | 68 | 76.9 Ų | 76.9 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.5 | -29.7 | 178.6 | -131 | 60 | -158.7 | 0 | 0 | 113 | E390 L392 K398 R409 | E390-E394 WeakPolarHBondContact O-CB 3.37Å; E390-E394 PolarHBondContact O-N 3.13Å; L392-E394 VanDerWaalsContact C-N 3.35Å; L392-E394 PolarHBondContact O-N 3.27Å; E394-K398 WeakPolarHBondContact O-CB 3.5Å; E394-K398 WeakPolarHBondContact O-CD 3.34Å; E394-K398 WeakPolarHBondContact O-CG 3.32Å; E394-K398 PolarHBondContact O-N 2.85Å; E394-R409 IonicContact OE1-CZ 3.21Å; E394-R409 VanDerWaalsContact OE1-CZ 3.32Å; E394-R409 IonicContact OE1-NH1 2.83Å; E394-R409 PolarHBondContact OE1-NH1 3.44Å; E394-R409 IonicContact OE1-NH2 3.4Å; E394-R409 PolarHBondContact OE1-NH2 3Å; E394-R409 IonicContact OE2-NH1 2.77Å; E394-R409 PolarHBondContact OE2-NH1 3.4Å |
| 395 | R | 93.5 | Very high | 90.7 | Very high | 149 Ų | 149 | 76.8 Ų | 76.8 | 56% | 0.562 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -69.1 | -48.1 | 174.3 | -175.7 | -173.9 | -177.1 | 163.7 | 2 | 110.9 | R391 L392 F393 K398 Q399 | R391-R395 WeakPolarHBondContact O-CB 3.43Å; R391-R395 PolarHBondContact O-N 3.02Å; L392-R395 WeakPolarHBondContact O-CB 3.07Å; L392-R395 PolarHBondContact O-N 3.19Å; L392-R395 VanDerWaalsContact O-N 3.12Å; F393-R395 VanDerWaalsContact C-N 3.26Å; F393-R395 PolarHBondContact O-N 3.36Å; R395-K398 PolarHBondContact O-N 3.03Å; R395-Q399 WeakPolarHBondContact O-CG 3.37Å; R395-Q399 PolarHBondContact O-N 3.25Å; R395-Q399 PolarHBondContact O-OE1 3.19Å |
| 396 | H | 93 | Very high | 90.9 | Very high | 4 Ų | 4 | 79.2 Ų | 79.2 | 2% | 0.019 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.9 | -36.5 | 179.5 | -87.9 | -72.7 | 0 | 0 | 0 | 112.5 | F370 V374 E377 L392 F393 K398 Q399 N400 | F370-H396 HydrophobicContact CE2-CB 3.78Å; F370-H396 HydrophobicContact CZ-CB 4.34Å; V374-H396 HydrophobicContact CG2-CB 3.72Å; V374-H396 VanDerWaalsContact CG2-CG 3.45Å; E377-H396 IonicContact OE1-CE1 3.97Å; E377-H396 PolarHBondContact OE1-CE1 3.17Å; E377-H396 IonicContact OE1-NE2 2.67Å; E377-H396 PolarHBondContact OE1-NE2 3.2Å; E377-H396 IonicContact OE2-CD2 2.78Å; E377-H396 IonicContact OE2-CE1 2.82Å; E377-H396 IonicContact OE2-NE2 2.92Å; E377-H396 PolarHBondContact OE2-NE2 3.48Å; L392-H396 PolarHBondContact O-CD2 3.5Å; L392-H396 PolarHBondContact O-N 3.25Å; F393-H396 PolarHBondContact O-N 3.17Å; H396-K398 VanDerWaalsContact C-N 3.35Å; H396-Q399 PolarHBondContact O-N 3.35Å; H396-N400 WeakPolarHBondContact O-CB 2.98Å; H396-N400 PolarHBondContact O-N 3.3Å; H396-N400 PolarHBondContact O-ND2 2.93Å; H396-N400 VanDerWaalsContact O-ND2 3.1Å |
| 397 | I | 93.7 | Very high | 91.1 | Very high | 14 Ų | 14 | 80.8 Ų | 80.8 | 7% | 0.072 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 170.8 | -68.6 | 164.7 | 0 | 0 | 0 | 110.8 | F393 Q399 E405 M408 R409 L412 | F393-I397 WeakPolarHBondContact O-CB 3.18Å; F393-I397 VanDerWaalsContact O-CG1 3.24Å; F393-I397 WeakPolarHBondContact O-CG1 3.32Å; F393-I397 PolarHBondContact O-N 3.16Å; I397-Q399 PolarHBondContact O-N 3.29Å; I397-E405 HydrophobicContact CG2-CG 3.87Å; I397-M408 HydrophobicContact CB-CE 4.36Å; I397-M408 HydrophobicContact CG1-CE 4.21Å; I397-R409 HydrophobicContact CD1-CG 3.72Å; I397-L412 HydrophobicContact CD1-CD1 3.94Å; I397-L412 HydrophobicContact CG1-CD1 3.91Å |
| 398 | K | 91.4 | Very high | 91.3 | Very high | 142 Ų | 142 | 73.1 Ų | 73.1 | 62% | 0.617 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -70.6 | -30.4 | 179.8 | -72.8 | 171.7 | -174.6 | 178.2 | 0 | 113.8 | E394 R395 H396 K401 | E394-K398 WeakPolarHBondContact O-CB 3.5Å; E394-K398 WeakPolarHBondContact O-CD 3.34Å; E394-K398 WeakPolarHBondContact O-CG 3.32Å; E394-K398 PolarHBondContact O-N 2.85Å; R395-K398 PolarHBondContact O-N 3.03Å; H396-K398 VanDerWaalsContact C-N 3.35Å; K398-K401 WeakPolarHBondContact O-CE 3.37Å; K398-K401 WeakPolarHBondContact O-CG 3.27Å |
| 399 | Q | 89.8 | Confident | 91.5 | Very high | 98 Ų | 98 | 75.5 Ų | 75.5 | 46% | 0.458 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -74.4 | -38.3 | 177.6 | -75.5 | 167.8 | -37.3 | 0 | 0 | 111.3 | R395 H396 I397 K401 | R395-Q399 WeakPolarHBondContact O-CG 3.37Å; R395-Q399 PolarHBondContact O-N 3.25Å; R395-Q399 PolarHBondContact O-OE1 3.19Å; H396-Q399 PolarHBondContact O-N 3.35Å; I397-Q399 PolarHBondContact O-N 3.29Å; Q399-K401 PolarHBondContact O-N 3.05Å |
| 400 | N | 86.9 | Confident | 91.6 | Very high | 26 Ų | 26 | 81.4 Ų | 81.4 | 14% | 0.139 | 36% | 0.358 | C | S | . | . | trans | -98.4 | 62.8 | -175.3 | -69.4 | -69.3 | 0 | 0 | 0 | 112.7 | F370 H396 H402 L403 M408 | F370-N400 HydrophobicContact CD2-CB 4.12Å; F370-N400 WeakPolarHBondContact CD2-ND2 3.44Å; F370-N400 HydrophobicContact CE2-CB 4.34Å; H396-N400 WeakPolarHBondContact O-CB 2.98Å; H396-N400 PolarHBondContact O-N 3.3Å; H396-N400 PolarHBondContact O-ND2 2.93Å; H396-N400 VanDerWaalsContact O-ND2 3.1Å; N400-H402 PolarHBondContact O-N 3.15Å; N400-H402 VanDerWaalsContact O-N 3.17Å; N400-H402 PolarHBondContact OD1-CE1 2.79Å; N400-H402 VanDerWaalsContact OD1-CE1 3.25Å; N400-L403 HydrophobicContact CB-CD1 4.35Å; N400-L403 PolarHBondContact O-N 3.44Å; N400-M408 HydrophobicContact CB-CE 3.56Å | ||
| 401 | K | 85.8 | Confident | 91.8 | Very high | 187 Ų | 187 | 80 Ų | 80 | 81% | 0.813 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -10.1 | 179.5 | -59.2 | -178.1 | -177.8 | 175.9 | 0 | 115.1 | K398 Q399 | K398-K401 WeakPolarHBondContact O-CE 3.37Å; K398-K401 WeakPolarHBondContact O-CG 3.27Å; Q399-K401 PolarHBondContact O-N 3.05Å |
| 402 | H | 83.4 | Confident | 91.9 | Very high | 124 Ų | 124 | 72.8 Ų | 72.8 | 57% | 0.574 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -9.7 | -178.3 | 63.6 | -85.5 | 0 | 0 | 0 | 112.5 | N400 | N400-H402 PolarHBondContact O-N 3.15Å; N400-H402 VanDerWaalsContact O-N 3.17Å; N400-H402 PolarHBondContact OD1-CE1 2.79Å; N400-H402 VanDerWaalsContact OD1-CE1 3.25Å |
| 403 | L | 90.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 78 Ų | 78 | 9% | 0.089 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -103.2 | 157.1 | 177.3 | -67 | 173.3 | 0 | 0 | 0 | 110.9 | L366 Y367 F370 N400 E405 M408 | L366-L403 HydrophobicContact CB-CD1 4.48Å; L366-L403 HydrophobicContact CB-CD2 3.44Å; L366-L403 VanDerWaalsContact CB-CD2 3.44Å; L366-L403 HydrophobicContact CB-CG 4.47Å; L366-L403 HydrophobicContact CD1-CD2 4.16Å; L366-L403 HydrophobicContact CG-CD2 4.43Å; Y367-L403 HydrophobicContact CD1-CB 4.36Å; Y367-L403 HydrophobicContact CD1-CD1 4.21Å; Y367-L403 HydrophobicContact CD1-CD2 4.2Å; Y367-L403 HydrophobicContact CD1-CG 4.48Å; Y367-L403 HydrophobicContact CE1-CB 3.78Å; Y367-L403 HydrophobicContact CE1-CD1 4.44Å; Y367-L403 HydrophobicContact CE1-CD2 3.96Å; Y367-L403 HydrophobicContact CE1-CG 4.25Å; Y367-L403 HydrophobicContact CE2-CD2 4.36Å; Y367-L403 HydrophobicContact CG-CD2 4.46Å; F370-L403 HydrophobicContact CB-CD1 3.76Å; F370-L403 HydrophobicContact CD2-CD1 4.49Å; F370-L403 HydrophobicContact CG-CD1 4.18Å; N400-L403 HydrophobicContact CB-CD1 4.35Å; N400-L403 PolarHBondContact O-N 3.44Å; L403-E405 PolarHBondContact O-N 3.5Å; L403-M408 HydrophobicContact CB-CG 3.94Å; L403-M408 HydrophobicContact CB-SD 3.5Å; L403-M408 WeakPolarHBondContact CB-SD 3.36Å |
| 404 | E | 90.7 | Very high | 91.8 | Very high | 85 Ų | 85 | 80.2 Ų | 80.2 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | trans | -71.9 | 116.6 | 178.1 | -171.7 | 170 | -158.9 | 0 | 0 | 110.3 | Y367 E406 K407 M408 | Y367-E404 WeakPolarHBondContact OH-CB 3.46Å; Y367-E404 PolarHBondContact OH-N 2.93Å; E404-E406 VanDerWaalsContact C-N 3.27Å; E404-E406 HydrophobicContact CG-CB 4.48Å; E404-E406 PolarHBondContact O-N 3.11Å; E404-K407 HydrophobicContact CB-CB 4.32Å; E404-K407 HydrophobicContact CB-CD 4.18Å; E404-K407 HydrophobicContact CB-CG 4.34Å; E404-K407 HydrophobicContact CG-CG 4.4Å; E404-K407 PolarHBondContact O-N 3.07Å; E404-K407 VanDerWaalsContact O-N 3.16Å; E404-K407 WeakPolarHBondContact OE2-CD 3.39Å; E404-K407 WeakPolarHBondContact OE2-CE 3.31Å; E404-K407 IonicContact OE2-NZ 3.32Å; E404-K407 PolarHBondContact OE2-NZ 3.42Å; E404-M408 WeakPolarHBondContact O-CG 3.22Å; E404-M408 PolarHBondContact O-N 3.42Å | ||
| 405 | E | 92.6 | Very high | 91.7 | Very high | 100 Ų | 100 | 78.1 Ų | 78.1 | 47% | 0.467 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.1 | -39.1 | -175.7 | -179.4 | 175.9 | 166.6 | 0 | 0 | 112.5 | I397 L403 M408 R409 | I397-E405 HydrophobicContact CG2-CG 3.87Å; L403-E405 PolarHBondContact O-N 3.5Å; E405-M408 PolarHBondContact O-N 3.1Å; E405-R409 HydrophobicContact CG-CG 4.3Å; E405-R409 WeakPolarHBondContact O-CB 3.39Å; E405-R409 VanDerWaalsContact O-CG 3.27Å; E405-R409 WeakPolarHBondContact O-CG 3.47Å; E405-R409 PolarHBondContact O-N 3.39Å; E405-R409 IonicContact OE1-CZ 3.52Å; E405-R409 IonicContact OE1-NE 3.35Å; E405-R409 PolarHBondContact OE1-NE 3.09Å; E405-R409 IonicContact OE1-NH2 3.15Å; E405-R409 PolarHBondContact OE1-NH2 3.25Å |
| 406 | E | 90.9 | Very high | 91.6 | Very high | 124 Ų | 124 | 72.2 Ų | 72.2 | 58% | 0.579 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.7 | -44.5 | 179.5 | -172.5 | 173 | -177.1 | 0 | 0 | 111.7 | E404 R409 H410 | E404-E406 VanDerWaalsContact C-N 3.27Å; E404-E406 HydrophobicContact CG-CB 4.48Å; E404-E406 PolarHBondContact O-N 3.11Å; E406-R409 PolarHBondContact O-N 3.33Å; E406-H410 WeakPolarHBondContact O-CB 3.43Å; E406-H410 PolarHBondContact O-N 3.31Å |
| 407 | K | 92.1 | Very high | 91.5 | Very high | 88 Ų | 88 | 75.7 Ų | 75.7 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 176.1 | -72.9 | 179.2 | 179.1 | 142.3 | 0 | 111.9 | E363 Y367 E404 H410 L411 | E363-K407 IonicContact OE1-NZ 2.7Å; E363-K407 PolarHBondContact OE1-NZ 3.47Å; E363-K407 IonicContact OE2-NZ 2.8Å; Y367-K407 HydrophobicContact CD1-CB 4.26Å; Y367-K407 HydrophobicContact CE1-CB 3.65Å; Y367-K407 HydrophobicContact CE1-CD 4.16Å; Y367-K407 HydrophobicContact CE2-CD 3.77Å; Y367-K407 WeakPolarHBondContact OH-CD 3.32Å; E404-K407 HydrophobicContact CB-CB 4.32Å; E404-K407 HydrophobicContact CB-CD 4.18Å; E404-K407 HydrophobicContact CB-CG 4.34Å; E404-K407 HydrophobicContact CG-CG 4.4Å; E404-K407 PolarHBondContact O-N 3.07Å; E404-K407 VanDerWaalsContact O-N 3.16Å; E404-K407 WeakPolarHBondContact OE2-CD 3.39Å; E404-K407 WeakPolarHBondContact OE2-CE 3.31Å; E404-K407 IonicContact OE2-NZ 3.32Å; E404-K407 PolarHBondContact OE2-NZ 3.42Å; K407-H410 PolarHBondContact O-N 3.03Å; K407-L411 WeakPolarHBondContact O-CB 3.25Å; K407-L411 PolarHBondContact O-N 3.4Å |
| 408 | M | 94.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 175.4 | -64.9 | 165 | 73.4 | 0 | 0 | 111.1 | Y367 F370 I397 N400 L403 E404 E405 H410 L411 L412 | Y367-M408 HydrophobicContact CD1-CG 4.17Å; Y367-M408 HydrophobicContact CE1-CG 4.02Å; F370-M408 HydrophobicContact CD1-CG 4.34Å; F370-M408 HydrophobicContact CD2-CE 3.81Å; F370-M408 HydrophobicContact CE1-CB 3.84Å; F370-M408 HydrophobicContact CE1-CE 4.16Å; F370-M408 HydrophobicContact CE1-CG 4.01Å; F370-M408 HydrophobicContact CE2-CE 3.19Å; F370-M408 HydrophobicContact CG-CE 4.47Å; F370-M408 HydrophobicContact CZ-CB 3.94Å; F370-M408 HydrophobicContact CZ-CE 3.4Å; F370-M408 HydrophobicContact CZ-CG 4.14Å; I397-M408 HydrophobicContact CB-CE 4.36Å; I397-M408 HydrophobicContact CG1-CE 4.21Å; N400-M408 HydrophobicContact CB-CE 3.56Å; L403-M408 HydrophobicContact CB-CG 3.94Å; L403-M408 HydrophobicContact CB-SD 3.5Å; L403-M408 WeakPolarHBondContact CB-SD 3.36Å; E404-M408 WeakPolarHBondContact O-CG 3.22Å; E404-M408 PolarHBondContact O-N 3.42Å; E405-M408 PolarHBondContact O-N 3.1Å; M408-H410 VanDerWaalsContact C-N 3.33Å; M408-H410 PolarHBondContact O-N 3.43Å; M408-L411 PolarHBondContact O-N 3.05Å; M408-L412 WeakPolarHBondContact O-CB 3.37Å; M408-L412 WeakPolarHBondContact O-CG 3.4Å; M408-L412 PolarHBondContact O-N 3.48Å |
| 409 | R | 94.8 | Very high | 91.1 | Very high | 100 Ų | 100 | 77.3 Ų | 77.3 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 177.1 | -75.2 | -179.2 | -177.4 | -70.7 | -1 | 111.6 | E394 I397 E405 E406 H413 | E394-R409 IonicContact OE1-CZ 3.21Å; E394-R409 VanDerWaalsContact OE1-CZ 3.32Å; E394-R409 IonicContact OE1-NH1 2.83Å; E394-R409 PolarHBondContact OE1-NH1 3.44Å; E394-R409 IonicContact OE1-NH2 3.4Å; E394-R409 PolarHBondContact OE1-NH2 3Å; E394-R409 IonicContact OE2-NH1 2.77Å; E394-R409 PolarHBondContact OE2-NH1 3.4Å; I397-R409 HydrophobicContact CD1-CG 3.72Å; E405-R409 HydrophobicContact CG-CG 4.3Å; E405-R409 WeakPolarHBondContact O-CB 3.39Å; E405-R409 VanDerWaalsContact O-CG 3.27Å; E405-R409 WeakPolarHBondContact O-CG 3.47Å; E405-R409 PolarHBondContact O-N 3.39Å; E405-R409 IonicContact OE1-CZ 3.52Å; E405-R409 IonicContact OE1-NE 3.35Å; E405-R409 PolarHBondContact OE1-NE 3.09Å; E405-R409 IonicContact OE1-NH2 3.15Å; E405-R409 PolarHBondContact OE1-NH2 3.25Å; E406-R409 PolarHBondContact O-N 3.33Å; R409-H413 VanDerWaalsContact O-CB 3.28Å; R409-H413 WeakPolarHBondContact O-CB 3.36Å; R409-H413 PolarHBondContact O-N 3.11Å |
| 410 | H | 94.1 | Very high | 90.8 | Very high | 125 Ų | 125 | 75.3 Ų | 75.3 | 58% | 0.579 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.8 | -49.8 | 175 | 177.3 | 73.7 | 0 | 0 | 0 | 111.6 | E406 K407 M408 L412 H413 V414 | E406-H410 WeakPolarHBondContact O-CB 3.43Å; E406-H410 PolarHBondContact O-N 3.31Å; K407-H410 PolarHBondContact O-N 3.03Å; M408-H410 VanDerWaalsContact C-N 3.33Å; M408-H410 PolarHBondContact O-N 3.43Å; H410-L412 PolarHBondContact O-N 3.35Å; H410-H413 WeakPolarHBondContact O-CB 3.41Å; H410-H413 PolarHBondContact O-N 3.38Å; H410-H413 VanDerWaalsContact O-N 3.13Å; H410-V414 WeakPolarHBondContact O-CG2 3.43Å; H410-V414 PolarHBondContact O-N 3.2Å |
| 411 | L | 94.7 | Very high | 90.2 | Very high | 52 Ų | 52 | 74.6 Ų | 74.6 | 27% | 0.272 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67 | -38 | -177 | -169.3 | 55.9 | 0 | 0 | 0 | 112.2 | I371 K407 M408 H413 V414 L415 | I371-L411 HydrophobicContact CB-CD2 4.41Å; I371-L411 HydrophobicContact CD1-CB 4.26Å; I371-L411 HydrophobicContact CD1-CD2 3.77Å; I371-L411 HydrophobicContact CD1-CG 3.58Å; I371-L411 HydrophobicContact CG1-CB 4.47Å; I371-L411 HydrophobicContact CG1-CD1 4.28Å; I371-L411 HydrophobicContact CG1-CD2 3.13Å; I371-L411 HydrophobicContact CG1-CG 3.37Å; K407-L411 WeakPolarHBondContact O-CB 3.25Å; K407-L411 PolarHBondContact O-N 3.4Å; M408-L411 PolarHBondContact O-N 3.05Å; L411-H413 VanDerWaalsContact C-N 3.35Å; L411-V414 PolarHBondContact O-N 3.14Å; L411-L415 PolarHBondContact O-N 3.44Å |
| 412 | L | 94.5 | Very high | 89.1 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.2 | -32.9 | 172.2 | -69.1 | 178 | 0 | 0 | 0 | 112.9 | F370 I371 V374 F393 I397 M408 H410 L415 K416 | F370-L412 HydrophobicContact CE1-CD1 4.11Å; F370-L412 HydrophobicContact CE1-CD2 4.01Å; F370-L412 HydrophobicContact CE1-CG 3.86Å; F370-L412 HydrophobicContact CZ-CD1 3.7Å; F370-L412 HydrophobicContact CZ-CD2 4.14Å; F370-L412 HydrophobicContact CZ-CG 3.97Å; I371-L412 HydrophobicContact CD1-CD2 3.72Å; I371-L412 HydrophobicContact CD1-CG 4.39Å; V374-L412 HydrophobicContact CB-CD2 4.31Å; V374-L412 HydrophobicContact CG1-CD2 3.77Å; V374-L412 HydrophobicContact CG2-CD2 4.06Å; F393-L412 HydrophobicContact CB-CD1 3.75Å; F393-L412 HydrophobicContact CD1-CB 4.45Å; F393-L412 HydrophobicContact CD1-CD1 4.08Å; F393-L412 HydrophobicContact CD1-CD2 3.63Å; F393-L412 HydrophobicContact CD1-CG 4.27Å; F393-L412 HydrophobicContact CD2-CB 4.24Å; F393-L412 HydrophobicContact CE1-CD2 3.79Å; F393-L412 HydrophobicContact CE2-CB 4.49Å; F393-L412 HydrophobicContact CG-CB 4.22Å; F393-L412 HydrophobicContact CG-CD1 3.91Å; F393-L412 HydrophobicContact CG-CD2 4.19Å; F393-L412 HydrophobicContact CG-CG 4.34Å; F393-L412 HydrophobicContact CZ-CD2 4.47Å; I397-L412 HydrophobicContact CD1-CD1 3.94Å; I397-L412 HydrophobicContact CG1-CD1 3.91Å; M408-L412 WeakPolarHBondContact O-CB 3.37Å; M408-L412 WeakPolarHBondContact O-CG 3.4Å; M408-L412 PolarHBondContact O-N 3.48Å; H410-L412 PolarHBondContact O-N 3.35Å; L412-L415 HydrophobicContact CD2-CD2 4.34Å; L412-L415 PolarHBondContact O-N 3.12Å; L412-K416 VanDerWaalsContact O-CB 3.31Å; L412-K416 WeakPolarHBondContact O-CB 3.37Å; L412-K416 PolarHBondContact O-N 3.38Å |
| 413 | H | 93.1 | Very high | 87.9 | Confident | 117 Ų | 117 | 70.8 Ų | 70.8 | 54% | 0.542 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 173 | 178.1 | -88.3 | 0 | 0 | 0 | 111.1 | R409 H410 L411 L415 K416 V417 | R409-H413 VanDerWaalsContact O-CB 3.28Å; R409-H413 WeakPolarHBondContact O-CB 3.36Å; R409-H413 PolarHBondContact O-N 3.11Å; H410-H413 WeakPolarHBondContact O-CB 3.41Å; H410-H413 PolarHBondContact O-N 3.38Å; H410-H413 VanDerWaalsContact O-N 3.13Å; L411-H413 VanDerWaalsContact C-N 3.35Å; H413-L415 VanDerWaalsContact C-N 3.34Å; H413-L415 PolarHBondContact O-N 3.06Å; H413-K416 WeakPolarHBondContact O-CB 3.42Å; H413-K416 PolarHBondContact O-N 3.26Å; H413-V417 WeakPolarHBondContact O-CG2 3.13Å; H413-V417 PolarHBondContact O-N 3.1Å |
| 414 | V | 94 | Very high | 86.2 | Confident | 59 Ų | 59 | 78 Ų | 78 | 36% | 0.358 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 173.2 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | H410 L411 K416 V417 D418 | H410-V414 WeakPolarHBondContact O-CG2 3.43Å; H410-V414 PolarHBondContact O-N 3.2Å; L411-V414 PolarHBondContact O-N 3.14Å; V414-K416 VanDerWaalsContact C-N 3.3Å; V414-K416 PolarHBondContact O-N 3.49Å; V414-V417 WeakPolarHBondContact O-CB 3.46Å; V414-V417 PolarHBondContact O-N 3.35Å; V414-V417 VanDerWaalsContact O-N 3.09Å; V414-D418 PolarHBondContact O-N 2.96Å |
| 415 | L | 93.2 | Very high | 84.1 | Confident | 25 Ų | 25 | 82.2 Ų | 82.2 | 13% | 0.131 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.3 | -40.1 | 176.4 | -177.9 | 64.5 | 0 | 0 | 0 | 112.4 | V374 T375 I378 F393 L411 L412 H413 V417 D418 L419 | V374-L415 HydrophobicContact CG1-CD2 4.02Å; T375-L415 HydrophobicContact CG2-CD1 3.83Å; T375-L415 HydrophobicContact CG2-CD2 3.75Å; T375-L415 HydrophobicContact CG2-CG 4.46Å; I378-L415 HydrophobicContact CD1-CD2 4.14Å; F393-L415 HydrophobicContact CE1-CD2 4.27Å; F393-L415 HydrophobicContact CZ-CD2 4.43Å; L411-L415 PolarHBondContact O-N 3.44Å; L412-L415 HydrophobicContact CD2-CD2 4.34Å; L412-L415 PolarHBondContact O-N 3.12Å; H413-L415 VanDerWaalsContact C-N 3.34Å; H413-L415 PolarHBondContact O-N 3.06Å; L415-V417 VanDerWaalsContact C-N 3.31Å; L415-V417 PolarHBondContact O-N 3.48Å; L415-D418 PolarHBondContact O-N 3.07Å; L415-L419 HydrophobicContact CG-CD1 4.26Å; L415-L419 VanDerWaalsContact O-CG 3.31Å; L415-L419 WeakPolarHBondContact O-CG 3.4Å; L415-L419 PolarHBondContact O-N 3.14Å |
| 416 | K | 91.1 | Very high | 81.3 | Confident | 24 Ų | 24 | 85.4 Ų | 85.4 | 10% | 0.104 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 176 | -166.5 | -179.2 | -178.6 | 175.9 | 0 | 111.3 | E390 F393 L412 H413 V414 L419 C421 | E390-K416 IonicContact OE1-NZ 2.76Å; E390-K416 PolarHBondContact OE1-NZ 2.85Å; F393-K416 HydrophobicContact CE2-CB 3.98Å; F393-K416 HydrophobicContact CE2-CD 4.4Å; F393-K416 HydrophobicContact CE2-CG 4.22Å; L412-K416 VanDerWaalsContact O-CB 3.31Å; L412-K416 WeakPolarHBondContact O-CB 3.37Å; L412-K416 PolarHBondContact O-N 3.38Å; H413-K416 WeakPolarHBondContact O-CB 3.42Å; H413-K416 PolarHBondContact O-N 3.26Å; V414-K416 VanDerWaalsContact C-N 3.3Å; V414-K416 PolarHBondContact O-N 3.49Å; K416-L419 PolarHBondContact O-N 3.39Å; K416-C421 WeakPolarHBondContact CE-O 3.42Å; K416-C421 HydrophobicContact CG-CB 3.67Å; K416-C421 WeakPolarHBondContact CG-O 3.44Å; K416-C421 WeakPolarHBondContact O-CB 3.43Å; K416-C421 PolarHBondContact O-N 3.42Å |
| 417 | V | 90.5 | Very high | 79 | Confident | 78 Ų | 78 | 85.2 Ų | 85.2 | 47% | 0.473 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 175.5 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | H413 V414 L415 L419 G420 | H413-V417 WeakPolarHBondContact O-CG2 3.13Å; H413-V417 PolarHBondContact O-N 3.1Å; V414-V417 WeakPolarHBondContact O-CB 3.46Å; V414-V417 PolarHBondContact O-N 3.35Å; V414-V417 VanDerWaalsContact O-N 3.09Å; L415-V417 VanDerWaalsContact C-N 3.31Å; L415-V417 PolarHBondContact O-N 3.48Å; V417-L419 VanDerWaalsContact C-N 3.25Å; V417-L419 PolarHBondContact O-N 2.98Å; V417-G420 PolarHBondContact O-N 2.95Å |
| 418 | D | 89.7 | Confident | 76.3 | Confident | 125 Ų | 125 | 87.7 Ų | 87.7 | 67% | 0.668 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.2 | -30.9 | 179.4 | -70.3 | -22.5 | 0 | 0 | 0 | 113 | V414 L415 G420 | V414-D418 PolarHBondContact O-N 2.96Å; L415-D418 PolarHBondContact O-N 3.07Å; D418-G420 PolarHBondContact O-N 3.43Å |
| 419 | L | 87.8 | Confident | 74 | Confident | 65 Ų | 65 | 97.3 Ų | 97.3 | 34% | 0.34 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -3.4 | 174.1 | -67.4 | 172.7 | 0 | 0 | 0 | 113.5 | I378 F384 L389 L415 K416 V417 C421 | I378-L419 HydrophobicContact CD1-CD1 4.04Å; F384-L419 HydrophobicContact CD1-CD2 4.3Å; F384-L419 HydrophobicContact CE1-CD2 4.48Å; L389-L419 HydrophobicContact CD1-CD1 3.91Å; L389-L419 HydrophobicContact CD2-CD1 4.23Å; L415-L419 HydrophobicContact CG-CD1 4.26Å; L415-L419 VanDerWaalsContact O-CG 3.31Å; L415-L419 WeakPolarHBondContact O-CG 3.4Å; L415-L419 PolarHBondContact O-N 3.14Å; K416-L419 PolarHBondContact O-N 3.39Å; V417-L419 VanDerWaalsContact C-N 3.25Å; V417-L419 PolarHBondContact O-N 2.98Å; L419-C421 VanDerWaalsContact C-N 3.28Å; L419-C421 PolarHBondContact O-N 2.74Å |
| 420 | G | 81.8 | Confident | 71.1 | Confident | 56 Ų | 56 | 100.9 Ų | 100.9 | 58% | 0.577 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 17.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V417 D418 T422 | V417-G420 PolarHBondContact O-N 2.95Å; D418-G420 PolarHBondContact O-N 3.43Å; G420-T422 VanDerWaalsContact C-N 3.34Å; G420-T422 PolarHBondContact O-N 2.79Å; G420-T422 VanDerWaalsContact O-N 3.16Å |
| 421 | C | 75.4 | Confident | 67.9 | Low | 11 Ų | 11 | 101.6 Ų | 101.6 | 7% | 0.074 | 55% | 0.546 | C | S | . | . | trans | -88.3 | 67 | -179.2 | -72 | 0 | 0 | 0 | 0 | 110.7 | N386 L389 K416 L419 | N386-C421 WeakPolarHBondContact OD1-CA 3.45Å; N386-C421 WeakPolarHBondContact OD1-CB 3.47Å; N386-C421 PolarHBondContact OD1-SG 3.29Å; L389-C421 HydrophobicContact CD1-CB 4.14Å; L389-C421 WeakPolarHBondContact CD1-SG 3.46Å; K416-C421 WeakPolarHBondContact CE-O 3.42Å; K416-C421 HydrophobicContact CG-CB 3.67Å; K416-C421 WeakPolarHBondContact CG-O 3.44Å; K416-C421 WeakPolarHBondContact O-CB 3.43Å; K416-C421 PolarHBondContact O-N 3.42Å; L419-C421 VanDerWaalsContact C-N 3.28Å; L419-C421 PolarHBondContact O-N 2.74Å | ||
| 422 | T | 62.8 | Low | 65.1 | Low | 92 Ų | 92 | 107.4 Ų | 107.4 | 56% | 0.564 | 58% | 0.578 | S | S | * | * | trans | -68 | 140.6 | 176.9 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | N386 G420 E424 | N386-T422 PolarHBondContact ND2-O 3.11Å; G420-T422 VanDerWaalsContact C-N 3.34Å; G420-T422 PolarHBondContact O-N 2.79Å; G420-T422 VanDerWaalsContact O-N 3.16Å; T422-E424 PolarHBondContact O-N 3.02Å | ||
| 423 | L | 58 | Low | 62.6 | Low | 139 Ų | 139 | 112.6 Ų | 112.6 | 73% | 0.728 | 61% | 0.609 | S | S | * | * | trans | -69.5 | 78 | 175.9 | -173.6 | 83.9 | 0 | 0 | 0 | 109.9 | ||||
| 424 | E | 53.5 | Low | 60.1 | Low | 168 Ų | 168 | 114.2 Ų | 114.2 | 79% | 0.785 | 62% | 0.622 | S | S | * | * | trans | -97.1 | 99.5 | 156.6 | -74.3 | -160.1 | 163.2 | 0 | 0 | 107.9 | T422 | T422-E424 PolarHBondContact O-N 3.02Š| ||
| 425 | E | 47.1 | Very low | 57.4 | Low | 173 Ų | 173 | 120 Ų | 120 | 81% | 0.808 | 65% | 0.648 | S | S | * | * | trans | 162.3 | 87.5 | 141.6 | -89.6 | 175.1 | -178.3 | 0 | 0 | 109.5 | ||||
| 426 | N | 33.8 | Very low | 54.9 | Low | 167 Ų | 167 | 126.8 Ų | 126.8 | 89% | 0.893 | 68% | 0.683 | S | S | * | * | trans | -165.5 | 93 | 134.7 | -86.4 | -32.3 | 0 | 0 | 0 | 108.1 | V428 | N426-V428 PolarHBondContact O-N 3.34Å; N426-V428 VanDerWaalsContact O-N 3.15Å | ||
| 427 | S | 42.9 | Very low | 52.3 | Low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | trans | -71.6 | 99.8 | 171.1 | 64.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 428 | V | 34.7 | Very low | 49.9 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 84% | 0.842 | 73% | 0.732 | S | S | * | * | trans | -134.2 | 114.8 | 142.3 | 179 | 0 | 0 | 0 | 0 | 106.2 | N426 Q430 | N426-V428 PolarHBondContact O-N 3.34Å; N426-V428 VanDerWaalsContact O-N 3.15Å; V428-Q430 PolarHBondContact O-N 3.22Å | ||
| 429 | K | 46.1 | Very low | 47.6 | Very low | 203 Ų | 203 | 136.4 Ų | 136.4 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | trans | -41.5 | 117.7 | 179.4 | -62.9 | 168.5 | 177.4 | 178.3 | 0 | 111.1 | ||||
| 430 | Q | 34.3 | Very low | 45 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -162.4 | 104.9 | 146.5 | -107.1 | 165.3 | 28.3 | 0 | 0 | 110.5 | V428 | V428-Q430 PolarHBondContact O-N 3.22Š| ||
| 431 | N | 27.9 | Very low | 42.7 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 63.6 | 106.1 | 145.6 | -53.3 | -26.6 | 0 | 0 | 0 | 119.9 | V433 | N431-V433 PolarHBondContact O-N 3.46Š| ||
| 432 | D | 35.4 | Very low | 40.7 | Very low | 175 Ų | 175 | 156 Ų | 156 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -63.8 | 58.9 | 158.9 | -74.5 | -44.2 | 0 | 0 | 0 | 112.7 | ||
| 433 | V | 41.6 | Very low | 39.4 | Very low | 112 Ų | 112 | 160.9 Ų | 160.9 | 68% | 0.679 | 81% | 0.813 | S | S | * | * | trans | -158.6 | 96.9 | 163.1 | -169.7 | 0 | 0 | 0 | 0 | 105.6 | N431 | N431-V433 PolarHBondContact O-N 3.46Š| ||
| 434 | D | 39.8 | Very low | 38 | Very low | 152 Ų | 152 | 159.1 Ų | 159.1 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | trans | 164.4 | 44.1 | 156.6 | -81.5 | -19.4 | 0 | 0 | 0 | 112.8 | ||||
| 435 | M | 37.1 | Very low | 36.8 | Very low | 181 Ų | 181 | 154.5 Ų | 154.5 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -117.3 | 30 | 176.9 | -154.2 | -170 | -74 | 0 | 0 | 113.4 | ||
| 436 | L | 40.9 | Very low | 36.3 | Very low | 167 Ų | 167 | 154.2 Ų | 154.2 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -142.9 | 7.4 | 175.6 | -76.7 | 179.3 | 0 | 0 | 0 | 115.8 | ||
| 437 | N | 38.2 | Very low | 36.2 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -127.6 | 51.6 | -174.6 | -82 | -26.6 | 0 | 0 | 0 | 114.1 | ||||
| 438 | L | 39.6 | Very low | 35.9 | Very low | 148 Ų | 148 | 155.6 Ų | 155.6 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -139.9 | 97.7 | 172.5 | -158.1 | 52 | 0 | 0 | 0 | 111.9 | ||
| 439 | F | 40.8 | Very low | 36.3 | Very low | 127 Ų | 127 | 154.9 Ų | 154.9 | 56% | 0.557 | 82% | 0.821 | S | S | * | * | trans | 97.1 | 73.1 | 164.9 | -63.7 | -77.2 | 0 | 0 | 0 | 120 | F441 | F439-F441 HydrophobicContact CD1-CB 4.42Å; F439-F441 AromaticContact CD1-CD2 3.23Å; F439-F441 HydrophobicContact CD1-CD2 3.23Å; F439-F441 AromaticContact CD1-CE2 3.69Å; F439-F441 HydrophobicContact CD1-CE2 3.69Å; F439-F441 HydrophobicContact CD1-CG 4.12Å; F439-F441 AromaticContact CE1-CD2 3.46Å; F439-F441 HydrophobicContact CE1-CD2 3.46Å; F439-F441 VanDerWaalsContact CE1-CD2 3.46Å; F439-F441 AromaticContact CE1-CE2 3.41Å; F439-F441 HydrophobicContact CE1-CE2 3.41Å; F439-F441 VanDerWaalsContact CE1-CE2 3.41Å; F439-F441 HydrophobicContact CE1-CG 4.38Å; F439-F441 HydrophobicContact CE1-CZ 4.38Å; F439-F441 HydrophobicContact CG-CD2 4.42Å | ||
| 440 | D | 32.8 | Very low | 35.9 | Very low | 169 Ų | 169 | 150.8 Ų | 150.8 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | -88.4 | 112.2 | 129.7 | -104 | -30.5 | 0 | 0 | 0 | 107.9 | |||||
| 441 | F | 34.7 | Very low | 36.3 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -121.8 | 99.5 | 165.8 | -103.9 | -98.7 | 0 | 0 | 0 | 111.2 | F439 | F439-F441 HydrophobicContact CD1-CB 4.42Å; F439-F441 AromaticContact CD1-CD2 3.23Å; F439-F441 HydrophobicContact CD1-CD2 3.23Å; F439-F441 AromaticContact CD1-CE2 3.69Å; F439-F441 HydrophobicContact CD1-CE2 3.69Å; F439-F441 HydrophobicContact CD1-CG 4.12Å; F439-F441 AromaticContact CE1-CD2 3.46Å; F439-F441 HydrophobicContact CE1-CD2 3.46Å; F439-F441 VanDerWaalsContact CE1-CD2 3.46Å; F439-F441 AromaticContact CE1-CE2 3.41Å; F439-F441 HydrophobicContact CE1-CE2 3.41Å; F439-F441 VanDerWaalsContact CE1-CE2 3.41Å; F439-F441 HydrophobicContact CE1-CG 4.38Å; F439-F441 HydrophobicContact CE1-CZ 4.38Å; F439-F441 HydrophobicContact CG-CD2 4.42Å | ||
| 442 | K | 31.8 | Very low | 37.2 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -138.4 | 106.8 | 156.9 | -168.9 | 174 | -177.9 | 176.5 | 0 | 110.2 | ||||
| 443 | K | 36.8 | Very low | 37.6 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | 72.8 | 99.7 | 143.9 | -167.5 | -177.7 | -177.6 | -176.7 | 0 | 118.9 | ||||
| 444 | A | 28.9 | Very low | 37.9 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -179.4 | 129.6 | 136.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 445 | G | 27.4 | Very low | 38.2 | Very low | 71 Ų | 71 | 151.1 Ų | 151.1 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | 93.3 | 83.3 | 66.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 446 | N | 36.5 | Very low | 39 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | 18 | 119.5 | 160.5 | -47.9 | -21.4 | 0 | 0 | 0 | 120.6 | ||||
| 447 | S | 32 | Very low | 39.9 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | trans | -174.7 | 154 | 132.8 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 448 | E | 36.1 | Very low | 41.2 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 165.2 | -161.4 | -73.5 | -174.8 | 162.8 | 0 | 0 | 121 | ||
| 449 | P | 43.7 | Very low | 42.3 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 81% | 0.805 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 154 | -162.6 | 37.1 | -32.1 | 0 | 0 | 0 | 116.4 | ||
| 450 | N | 37.3 | Very low | 43.6 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 130.1 | 178.9 | -77.7 | -35.1 | 0 | 0 | 0 | 116.2 | L452 K453 | N450-L452 PolarHBondContact O-N 3.44Å; N450-K453 HydrophobicContact CB-CG 4.48Å |
| 451 | E | 42.2 | Very low | 45.3 | Very low | 191 Ų | 191 | 131.9 Ų | 131.9 | 89% | 0.893 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -12.8 | 164.1 | -73.6 | 178.4 | 150.4 | 0 | 0 | 113.7 | ||
| 452 | L | 47.1 | Very low | 47.2 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 73% | 0.728 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -11.4 | -177.6 | -86.2 | 153.2 | 0 | 0 | 0 | 115.4 | N450 | N450-L452 PolarHBondContact O-N 3.44Š|
| 453 | K | 45 | Very low | 49.2 | Very low | 142 Ų | 142 | 125.9 Ų | 125.9 | 62% | 0.617 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -81.5 | -22.6 | 179.4 | -69 | -170.5 | 175.2 | -171.4 | 0 | 113.4 | N450 S456 E457 | N450-K453 HydrophobicContact CB-CG 4.48Å; K453-S456 PolarHBondContact O-OG 3.05Å; K453-S456 VanDerWaalsContact O-OG 3.05Å; K453-E457 PolarHBondContact O-N 2.8Å |
| 454 | H | 46.5 | Very low | 51 | Low | 140 Ų | 140 | 125.6 Ų | 125.6 | 65% | 0.648 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.7 | -33.2 | -171 | -160.6 | -88 | 0 | 0 | 0 | 112.4 | V458 | H454-V458 WeakPolarHBondContact O-CB 3.34Å; H454-V458 WeakPolarHBondContact O-CG2 3.29Å; H454-V458 PolarHBondContact O-N 2.7Å |
| 455 | E | 47.3 | Very low | 53.4 | Low | 150 Ų | 150 | 127.3 Ų | 127.3 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -68.2 | -44.5 | 178.9 | -79.7 | -174.5 | 154.1 | 0 | 0 | 112.6 | E457 V458 T459 | E455-E457 VanDerWaalsContact C-N 3.31Å; E455-E457 PolarHBondContact O-N 3.3Å; E455-V458 PolarHBondContact O-N 3.35Å; E455-T459 PolarHBondContact O-N 2.8Å; E455-T459 VanDerWaalsContact O-N 3.07Å; E455-T459 PolarHBondContact O-OG1 3.02Å; E455-T459 VanDerWaalsContact O-OG1 3.11Å |
| 456 | S | 54 | Low | 56 | Low | 65 Ų | 65 | 130.6 Ų | 130.6 | 46% | 0.455 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64.4 | -37.4 | 178 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | K453 T459 I460 | K453-S456 PolarHBondContact O-OG 3.05Å; K453-S456 VanDerWaalsContact O-OG 3.05Å; S456-T459 WeakPolarHBondContact CA-OG1 3.43Å; S456-T459 PolarHBondContact O-N 3.02Å; S456-T459 PolarHBondContact O-OG1 3.04Å; S456-I460 WeakPolarHBondContact O-CD1 3.33Å; S456-I460 WeakPolarHBondContact O-CG1 3.33Å; S456-I460 PolarHBondContact O-N 3.4Å; S456-I460 VanDerWaalsContact O-N 3.15Å |
| 457 | E | 60.2 | Low | 58 | Low | 118 Ų | 118 | 130.7 Ų | 130.7 | 55% | 0.551 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.6 | -35.5 | -178.7 | -166.7 | 147.1 | -166.7 | 0 | 0 | 112 | K453 E455 I460 Q461 | K453-E457 PolarHBondContact O-N 2.8Å; E455-E457 VanDerWaalsContact C-N 3.31Å; E455-E457 PolarHBondContact O-N 3.3Å; E457-I460 PolarHBondContact O-N 3.31Å; E457-Q461 WeakPolarHBondContact O-CG 3.31Å; E457-Q461 PolarHBondContact O-N 3.43Å |
| 458 | V | 64.9 | Low | 60.4 | Low | 70 Ų | 70 | 129.6 Ų | 129.6 | 42% | 0.424 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.9 | -40.9 | 172.5 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | H454 E455 Q461 Q462 | H454-V458 WeakPolarHBondContact O-CB 3.34Å; H454-V458 WeakPolarHBondContact O-CG2 3.29Å; H454-V458 PolarHBondContact O-N 2.7Å; E455-V458 PolarHBondContact O-N 3.35Å; V458-Q461 PolarHBondContact O-N 3.07Å; V458-Q462 WeakPolarHBondContact O-CB 3.13Å; V458-Q462 PolarHBondContact O-N 3.07Å |
| 459 | T | 61.6 | Low | 62.7 | Low | 86 Ų | 86 | 127.3 Ų | 127.3 | 53% | 0.528 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.7 | -40.6 | 176.4 | 43.8 | 0 | 0 | 0 | 0 | 113 | E455 S456 Q462 E463 | E455-T459 PolarHBondContact O-N 2.8Å; E455-T459 VanDerWaalsContact O-N 3.07Å; E455-T459 PolarHBondContact O-OG1 3.02Å; E455-T459 VanDerWaalsContact O-OG1 3.11Å; S456-T459 WeakPolarHBondContact CA-OG1 3.43Å; S456-T459 PolarHBondContact O-N 3.02Å; S456-T459 PolarHBondContact O-OG1 3.04Å; T459-Q462 PolarHBondContact O-N 2.99Å; T459-E463 PolarHBondContact O-N 3.27Å; T459-E463 VanDerWaalsContact O-N 3.1Å |
| 460 | I | 68.4 | Low | 64.4 | Low | 87 Ų | 87 | 123.7 Ų | 123.7 | 45% | 0.446 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.7 | -36.4 | 179.7 | -67.3 | 164.7 | 0 | 0 | 0 | 111.1 | S456 E457 R464 | S456-I460 WeakPolarHBondContact O-CD1 3.33Å; S456-I460 WeakPolarHBondContact O-CG1 3.33Å; S456-I460 PolarHBondContact O-N 3.4Å; S456-I460 VanDerWaalsContact O-N 3.15Å; E457-I460 PolarHBondContact O-N 3.31Å; I460-R464 WeakPolarHBondContact O-CG 3.07Å; I460-R464 PolarHBondContact O-N 3.37Å |
| 461 | Q | 69.3 | Low | 66.2 | Low | 115 Ų | 115 | 122.1 Ų | 122.1 | 54% | 0.537 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.6 | -35.8 | 176.4 | -72.1 | -156.6 | 17.1 | 0 | 0 | 112.8 | E457 V458 R464 Q465 | E457-Q461 WeakPolarHBondContact O-CG 3.31Å; E457-Q461 PolarHBondContact O-N 3.43Å; V458-Q461 PolarHBondContact O-N 3.07Å; Q461-R464 PolarHBondContact O-N 3.11Å; Q461-Q465 WeakPolarHBondContact O-CG 3.43Å; Q461-Q465 PolarHBondContact O-N 2.88Å; Q461-Q465 VanDerWaalsContact O-N 3.07Å |
| 462 | Q | 74.8 | Confident | 67.9 | Low | 124 Ų | 124 | 117.7 Ų | 117.7 | 58% | 0.579 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.2 | -43.2 | 176 | -172.5 | 171.1 | -4.7 | 0 | 0 | 111.8 | V458 T459 R464 Q465 E466 | V458-Q462 WeakPolarHBondContact O-CB 3.13Å; V458-Q462 PolarHBondContact O-N 3.07Å; T459-Q462 PolarHBondContact O-N 2.99Å; Q462-R464 VanDerWaalsContact C-N 3.33Å; Q462-R464 PolarHBondContact O-N 2.91Å; Q462-Q465 PolarHBondContact O-N 2.93Å; Q462-E466 PolarHBondContact O-N 3.34Å; Q462-E466 VanDerWaalsContact O-N 3.09Å |
| 463 | E | 73.7 | Confident | 69.1 | Low | 125 Ų | 125 | 117.4 Ų | 117.4 | 58% | 0.584 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.4 | -39.6 | 176 | -170.6 | 179.9 | -174.2 | 0 | 0 | 111.9 | T459 E466 Y467 | T459-E463 PolarHBondContact O-N 3.27Å; T459-E463 VanDerWaalsContact O-N 3.1Å; E463-E466 PolarHBondContact O-N 3.34Å; E463-Y467 PolarHBondContact O-N 3.47Å |
| 464 | R | 75.2 | Confident | 70.2 | Confident | 187 Ų | 187 | 117.3 Ų | 117.3 | 71% | 0.706 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65 | -38.2 | 175.4 | -78 | -178.2 | 172.1 | -171.4 | -0.3 | 113.2 | I460 Q461 Q462 E466 Y467 Q468 | I460-R464 WeakPolarHBondContact O-CG 3.07Å; I460-R464 PolarHBondContact O-N 3.37Å; Q461-R464 PolarHBondContact O-N 3.11Å; Q462-R464 VanDerWaalsContact C-N 3.33Å; Q462-R464 PolarHBondContact O-N 2.91Å; R464-E466 VanDerWaalsContact C-N 3.34Å; R464-Y467 PolarHBondContact O-N 2.79Å; R464-Q468 PolarHBondContact O-N 2.73Å |
| 465 | Q | 79.2 | Confident | 71 | Confident | 140 Ų | 140 | 115.3 Ų | 115.3 | 65% | 0.654 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67 | -37.6 | 175.9 | -74.9 | -176.1 | -2.4 | 0 | 0 | 111.9 | Q461 Q462 Q468 K469 | Q461-Q465 WeakPolarHBondContact O-CG 3.43Å; Q461-Q465 PolarHBondContact O-N 2.88Å; Q461-Q465 VanDerWaalsContact O-N 3.07Å; Q462-Q465 PolarHBondContact O-N 2.93Å; Q465-Q468 PolarHBondContact O-N 2.86Å; Q465-K469 WeakPolarHBondContact O-CB 3.34Å; Q465-K469 PolarHBondContact O-N 2.88Å |
| 466 | E | 80.5 | Confident | 71.7 | Confident | 140 Ų | 140 | 112.4 Ų | 112.4 | 65% | 0.654 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.9 | -39 | 177.3 | -160.8 | 164.1 | -154.6 | 0 | 0 | 111.7 | Q462 E463 R464 K469 A470 | Q462-E466 PolarHBondContact O-N 3.34Å; Q462-E466 VanDerWaalsContact O-N 3.09Å; E463-E466 PolarHBondContact O-N 3.34Å; R464-E466 VanDerWaalsContact C-N 3.34Å; E466-K469 PolarHBondContact O-N 2.84Å; E466-A470 PolarHBondContact O-N 3.04Å |
| 467 | Y | 78.8 | Confident | 71.7 | Confident | 167 Ų | 167 | 112.8 Ų | 112.8 | 66% | 0.655 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.7 | -43 | 173 | -125.7 | -83.5 | 0 | 0 | 0 | 112.6 | E463 R464 K469 A470 L471 | E463-Y467 PolarHBondContact O-N 3.47Å; R464-Y467 PolarHBondContact O-N 2.79Å; Y467-K469 VanDerWaalsContact C-N 3.35Å; Y467-A470 PolarHBondContact O-N 2.82Å; Y467-L471 WeakPolarHBondContact O-CG 3.24Å; Y467-L471 PolarHBondContact O-N 2.65Å; Y467-L471 VanDerWaalsContact O-N 3.14Å |
| 468 | Q | 82.4 | Confident | 71.3 | Confident | 106 Ų | 106 | 113.1 Ų | 113.1 | 50% | 0.495 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.8 | -39.6 | 177.7 | -170.7 | 60.6 | 38.4 | 0 | 0 | 111.6 | R464 Q465 A470 L471 D472 | R464-Q468 PolarHBondContact O-N 2.73Å; Q465-Q468 PolarHBondContact O-N 2.86Å; Q468-A470 VanDerWaalsContact C-N 3.32Å; Q468-A470 PolarHBondContact O-N 3.06Å; Q468-L471 PolarHBondContact O-N 2.85Å; Q468-D472 PolarHBondContact O-N 3.03Å |
| 469 | K | 85.3 | Confident | 70.7 | Confident | 142 Ų | 142 | 119 Ų | 119 | 62% | 0.617 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.3 | -37.8 | 175.4 | -172.9 | -177.7 | 178.4 | -173 | 0 | 112.2 | Q465 E466 Y467 D472 M473 | Q465-K469 WeakPolarHBondContact O-CB 3.34Å; Q465-K469 PolarHBondContact O-N 2.88Å; E466-K469 PolarHBondContact O-N 2.84Å; Y467-K469 VanDerWaalsContact C-N 3.35Å; K469-D472 PolarHBondContact O-N 3.31Å; K469-M473 WeakPolarHBondContact O-CG 3.43Å; K469-M473 PolarHBondContact O-N 2.64Å |
| 470 | A | 78.5 | Confident | 69.5 | Low | 48 Ų | 48 | 122.1 Ų | 122.1 | 40% | 0.397 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.4 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E466 Y467 Q468 M473 L474 | E466-A470 PolarHBondContact O-N 3.04Å; Y467-A470 PolarHBondContact O-N 2.82Å; Q468-A470 VanDerWaalsContact C-N 3.32Å; Q468-A470 PolarHBondContact O-N 3.06Å; A470-M473 PolarHBondContact O-N 2.84Å; A470-L474 VanDerWaalsContact O-CG 3.31Å; A470-L474 WeakPolarHBondContact O-CG 3.29Å; A470-L474 PolarHBondContact O-N 3.39Å; A470-L474 VanDerWaalsContact O-N 3.12Å |
| 471 | L | 76.4 | Confident | 68.9 | Low | 83 Ų | 83 | 125.7 Ų | 125.7 | 44% | 0.435 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67 | -38.1 | 176.6 | -69.7 | 173.5 | 0 | 0 | 0 | 112.7 | Y467 Q468 L474 S475 | Y467-L471 WeakPolarHBondContact O-CG 3.24Å; Y467-L471 PolarHBondContact O-N 2.65Å; Y467-L471 VanDerWaalsContact O-N 3.14Å; Q468-L471 PolarHBondContact O-N 2.85Å; L471-L474 PolarHBondContact O-N 3.2Å; L471-S475 WeakPolarHBondContact O-CB 3.45Å; L471-S475 PolarHBondContact O-N 2.88Å; L471-S475 VanDerWaalsContact O-N 3.11Å; L471-S475 PolarHBondContact O-OG 2.88Å |
| 472 | D | 77.5 | Confident | 67.6 | Low | 98 Ų | 98 | 127.3 Ų | 127.3 | 52% | 0.524 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67.9 | -40.3 | 175.5 | -84.2 | -4.2 | 0 | 0 | 0 | 111.8 | Q468 K469 L474 S475 S476 | Q468-D472 PolarHBondContact O-N 3.03Å; K469-D472 PolarHBondContact O-N 3.31Å; D472-L474 VanDerWaalsContact C-N 3.28Å; D472-L474 PolarHBondContact O-N 2.72Å; D472-S475 PolarHBondContact O-N 3.48Å; D472-S476 PolarHBondContact O-N 3.22Å; D472-S476 PolarHBondContact O-OG 2.68Å |
| 473 | M | 72 | Confident | 65.8 | Low | 132 Ų | 132 | 130.3 Ų | 130.3 | 65% | 0.65 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -62.8 | -33.5 | 174.7 | -75.9 | -176.7 | 62.4 | 0 | 0 | 113 | K469 A470 S475 | K469-M473 WeakPolarHBondContact O-CG 3.43Å; K469-M473 PolarHBondContact O-N 2.64Å; A470-M473 PolarHBondContact O-N 2.84Å; M473-S475 VanDerWaalsContact C-N 3.31Å |
| 474 | L | 67.2 | Low | 64.1 | Low | 141 Ų | 141 | 131.7 Ų | 131.7 | 74% | 0.738 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -74.3 | -24.5 | 174.6 | -70.3 | 170.6 | 0 | 0 | 0 | 112.5 | A470 L471 D472 | A470-L474 VanDerWaalsContact O-CG 3.31Å; A470-L474 WeakPolarHBondContact O-CG 3.29Å; A470-L474 PolarHBondContact O-N 3.39Å; A470-L474 VanDerWaalsContact O-N 3.12Å; L471-L474 PolarHBondContact O-N 3.2Å; D472-L474 VanDerWaalsContact C-N 3.28Å; D472-L474 PolarHBondContact O-N 2.72Å |
| 475 | S | 64.1 | Low | 62.2 | Low | 98 Ų | 98 | 132.1 Ų | 132.1 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -89.7 | -17.5 | -178.3 | -57 | 0 | 0 | 0 | 0 | 113.2 | L471 D472 M473 | L471-S475 WeakPolarHBondContact O-CB 3.45Å; L471-S475 PolarHBondContact O-N 2.88Å; L471-S475 VanDerWaalsContact O-N 3.11Å; L471-S475 PolarHBondContact O-OG 2.88Å; D472-S475 PolarHBondContact O-N 3.48Å; M473-S475 VanDerWaalsContact C-N 3.31Å |
| 476 | S | 61.4 | Low | 59.9 | Low | 89 Ų | 89 | 131.5 Ų | 131.5 | 62% | 0.622 | 69% | 0.69 | S | S | * | * | trans | -100 | 21 | -176.2 | 73.8 | 0 | 0 | 0 | 0 | 115.1 | D472 | D472-S476 PolarHBondContact O-N 3.22Å; D472-S476 PolarHBondContact O-OG 2.68Å | ||
| 477 | A | 53.6 | Low | 58.2 | Low | 72 Ų | 72 | 130 Ų | 130 | 60% | 0.595 | 70% | 0.696 | S | S | * | * | trans | -67 | 130.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | K479 | A477-K479 PolarHBondContact O-N 2.77Š| ||
| 478 | P | 53 | Low | 56.7 | Low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -67.6 | 126 | -178.4 | 26.5 | -31.5 | 0 | 0 | 0 | 109.9 | D480 | P478-D480 PolarHBondContact O-N 3.39Š| ||
| 479 | K | 51.1 | Low | 54.2 | Low | 193 Ų | 193 | 128 Ų | 128 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | trans | -77.9 | 100.6 | 166.2 | -66.1 | -178.8 | -179.1 | 178.7 | 0 | 106.7 | A477 | A477-K479 PolarHBondContact O-N 2.77Š| ||
| 480 | D | 38.3 | Very low | 51.8 | Low | 151 Ų | 151 | 128.1 Ų | 128.1 | 81% | 0.807 | 71% | 0.713 | S | S | * | * | trans | -77 | 131.7 | 163.9 | -161.7 | 9.5 | 0 | 0 | 0 | 108.2 | P478 | P478-D480 PolarHBondContact O-N 3.39Š| ||
| 481 | E | 54.8 | Low | 49.5 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | trans | -115 | 92.9 | -158.1 | 33.4 | -163.2 | 141.1 | 0 | 0 | 108.7 | ||||
| 482 | N | 41.1 | Very low | 47.6 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | -157 | 127 | 164.7 | -74.9 | -56.1 | 0 | 0 | 0 | 112.6 | ||||
| 483 | E | 38.5 | Very low | 45.6 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | 73.8 | 84.5 | 159.5 | -69.9 | -173.5 | 152.4 | 0 | 0 | 122.6 | ||||
| 484 | I | 36.3 | Very low | 43.8 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | 38.1 | 103.7 | 119.4 | -51.9 | 173.9 | 0 | 0 | 0 | 120 | |||||
| 485 | F | 35.4 | Very low | 42.1 | Very low | 196 Ų | 196 | 142.1 Ų | 142.1 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | 24.5 | 114.8 | 141.2 | -65.4 | -80.3 | 0 | 0 | 0 | 121.8 | ||||
| 486 | S | 31.6 | Very low | 40.5 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | trans | -133.1 | 117.9 | 143.4 | -68.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 487 | S | 44.8 | Very low | 39.1 | Very low | 110 Ų | 110 | 153.1 Ų | 153.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -74.2 | 174.3 | 154.4 | 55.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 488 | P | 48.1 | Very low | 38 | Very low | 113 Ų | 113 | 154.1 Ų | 154.1 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | cis | -136.5 | -176.5 | 6.2 | 38.3 | -17.9 | 0 | 0 | 0 | 113.5 | ||||
| 489 | T | 29.4 | Very low | 37.1 | Very low | 116 Ų | 116 | 157.7 Ų | 157.7 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | 177.9 | 103 | 132.6 | -69.1 | 0 | 0 | 0 | 0 | 110.5 | F491 | T489-F491 HydrophobicContact CG2-CD2 4.25Å; T489-F491 HydrophobicContact CG2-CE2 4.09Å | ||
| 490 | E | 34.6 | Very low | 36.2 | Very low | 145 Ų | 145 | 156.7 Ų | 156.7 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -68.6 | 138.5 | 161.9 | -71 | 160.9 | 126.8 | 0 | 0 | 110.7 | F492 | E490-F492 HydrophobicContact CB-CD2 3.82Å; E490-F492 HydrophobicContact CB-CE2 3.88Å; E490-F492 HydrophobicContact CG-CD2 4.44Å; E490-F492 HydrophobicContact CG-CE2 4.01Å; E490-F492 WeakPolarHBondContact OE1-CE2 3.45Å; E490-F492 VanDerWaalsContact OE1-CZ 3.29Å; E490-F492 WeakPolarHBondContact OE1-CZ 3.45Å; E490-F492 WeakPolarHBondContact OE2-CE2 3.21Å | ||
| 491 | F | 30.9 | Very low | 35.8 | Very low | 204 Ų | 204 | 155.3 Ų | 155.3 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -107.3 | 99.4 | 154.5 | -89.8 | -82.1 | 0 | 0 | 0 | 108.8 | T489 | T489-F491 HydrophobicContact CG2-CD2 4.25Å; T489-F491 HydrophobicContact CG2-CE2 4.09Å | ||
| 492 | F | 35.1 | Very low | 34.6 | Very low | 154 Ų | 154 | 157.2 Ų | 157.2 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 143.5 | 170.3 | -84.3 | -84.8 | 0 | 0 | 0 | 111.8 | E490 | E490-F492 HydrophobicContact CB-CD2 3.82Å; E490-F492 HydrophobicContact CB-CE2 3.88Å; E490-F492 HydrophobicContact CG-CD2 4.44Å; E490-F492 HydrophobicContact CG-CE2 4.01Å; E490-F492 WeakPolarHBondContact OE1-CE2 3.45Å; E490-F492 VanDerWaalsContact OE1-CZ 3.29Å; E490-F492 WeakPolarHBondContact OE1-CZ 3.45Å; E490-F492 WeakPolarHBondContact OE2-CE2 3.21Å |
| 493 | M | 37.2 | Very low | 34.1 | Very low | 159 Ų | 159 | 153.2 Ų | 153.2 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 142.1 | 157.7 | -74.5 | -92.1 | 80.8 | 0 | 0 | 109.9 | L495 | M493-L495 PolarHBondContact O-N 3.07Š|
| 494 | P | 33.6 | Very low | 33.7 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70 | 121.8 | -177.8 | -13.4 | 27.1 | 0 | 0 | 0 | 112.2 | ||
| 495 | L | 32.1 | Very low | 33.7 | Very low | 159 Ų | 159 | 151 Ų | 151 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 124.5 | 165.3 | -110.3 | 91.8 | 0 | 0 | 0 | 110.5 | M493 | M493-L495 PolarHBondContact O-N 3.07Š|
| 496 | Y | 28.9 | Very low | 33.6 | Very low | 227 Ų | 227 | 149 Ų | 149 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76 | 121.6 | 168.7 | -162.2 | -97.6 | 0 | 0 | 0 | 109.5 | ||
| 497 | K | 31.8 | Very low | 33.5 | Very low | 192 Ų | 192 | 150.6 Ų | 150.6 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -83.8 | 114.2 | 179.3 | -65.6 | -169.2 | 178.2 | -173 | 0 | 110.8 | ||||
| 498 | S | 30.5 | Very low | 32.7 | Very low | 92 Ų | 92 | 153.8 Ų | 153.8 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | trans | -84.1 | 117.3 | 157.6 | 54.6 | 0 | 0 | 0 | 0 | 109 | H500 | S498-H500 PolarHBondContact O-N 3.17Š| ||
| 499 | K | 35.9 | Very low | 31.8 | Very low | 202 Ų | 202 | 154.6 Ų | 154.6 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -77.2 | 107.7 | 168.1 | -69.9 | -167 | 177.6 | -173.9 | 0 | 108.7 | ||||
| 500 | H | 30.8 | Very low | 31.8 | Very low | 172 Ų | 172 | 155 Ų | 155 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -120.3 | 132 | 156.9 | -68.9 | -62.5 | 0 | 0 | 0 | 109.2 | S498 | S498-H500 PolarHBondContact O-N 3.17Š| ||
| 501 | S | 29.9 | Very low | 31.7 | Very low | 122 Ų | 122 | 154.8 Ų | 154.8 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 142.8 | -172.4 | 48 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 502 | E | 29.8 | Very low | 31.7 | Very low | 201 Ų | 201 | 153.4 Ų | 153.4 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -63.4 | 139.9 | 170.9 | -175.7 | 161.2 | -175.2 | 0 | 0 | 112.9 | ||||
| 503 | G | 30.4 | Very low | 31.5 | Very low | 67 Ų | 67 | 151.1 Ų | 151.1 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | 148 | 99.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 504 | V | 29.7 | Very low | 31.1 | Very low | 135 Ų | 135 | 150.1 Ų | 150.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 150.3 | 111.5 | 135 | 169.3 | 0 | 0 | 0 | 0 | 109.5 | I506 | V504-I506 HydrophobicContact CG1-CG1 4.16Š| ||
| 505 | I | 37.5 | Very low | 30.9 | Very low | 160 Ų | 160 | 152.5 Ų | 152.5 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | -84.5 | 127.5 | 169.2 | -61 | 166 | 0 | 0 | 0 | 107 | ||||
| 506 | I | 32.8 | Very low | 30.7 | Very low | 154 Ų | 154 | 153.3 Ų | 153.3 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -136.1 | 123.9 | 152.3 | -59.9 | -173.2 | 0 | 0 | 0 | 110.4 | V504 | V504-I506 HydrophobicContact CG1-CG1 4.16Š| ||
| 507 | Q | 29.9 | Very low | 31.2 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | -43.3 | 130.9 | 172.4 | -163.6 | 102.9 | 10.5 | 0 | 0 | 114.5 | V509 | Q507-V509 HydrophobicContact CG-CG2 4.34Š| ||
| 508 | Q | 28.8 | Very low | 31 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -65.7 | 130.9 | 158 | -95.8 | 172.9 | -30.2 | 0 | 0 | 110.3 | ||||
| 509 | V | 29.2 | Very low | 31 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -134.1 | 125.4 | 156 | -170.4 | 0 | 0 | 0 | 0 | 107 | Q507 | Q507-V509 HydrophobicContact CG-CG2 4.34Š| ||
| 510 | N | 28.4 | Very low | 30.7 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | trans | -85.5 | 148.4 | 178.6 | -82.4 | -6.9 | 0 | 0 | 0 | 111.8 | ||||
| 511 | D | 31.7 | Very low | 30.6 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 64.9 | 141 | 140.5 | -58.2 | -30.3 | 0 | 0 | 0 | 123.5 | ||||
| 512 | E | 31.6 | Very low | 30.8 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 102.4 | 101.3 | 147.6 | -84 | 176.3 | -165 | 0 | 0 | 120.8 | ||||
| 513 | T | 31.5 | Very low | 30.9 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | 75.3 | 121.7 | 129.6 | 32.9 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 514 | N | 27.5 | Very low | 31.1 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | 87.1 | 127 | 128.2 | -71 | -27.1 | 0 | 0 | 0 | 121 | |||||
| 515 | L | 30.6 | Very low | 31.6 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | 91.1 | 107.6 | 150.7 | -57.8 | 160.6 | 0 | 0 | 0 | 119.1 | ||||
| 516 | E | 27.8 | Very low | 31.2 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -79.6 | 175.3 | 139.6 | -122.4 | -157 | 165.9 | 0 | 0 | 109 | ||||
| 517 | P | 40.3 | Very low | 31.1 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | cis | -136.4 | 166.9 | -12 | 33.2 | -13.6 | 0 | 0 | 0 | 113.9 | ||||
| 518 | S | 26.6 | Very low | 31.2 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -156.9 | 114.2 | 157.1 | 81.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 519 | T | 29.8 | Very low | 31.2 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | 76.5 | 101.1 | 111.8 | 63.2 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 520 | L | 29.7 | Very low | 31.5 | Very low | 158 Ų | 158 | 136 Ų | 136 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | 31.6 | 119 | 115.2 | -154.4 | 145.1 | 0 | 0 | 0 | 118.8 | E522 | L520-E522 HydrophobicContact CD2-CB 4.48Š| |||
| 521 | D | 29.4 | Very low | 31.7 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | -155 | 91.3 | 153.5 | -169.2 | 29.2 | 0 | 0 | 0 | 106.7 | ||||
| 522 | E | 33.8 | Very low | 31.7 | Very low | 156 Ų | 156 | 136 Ų | 136 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | 62.7 | 83.4 | 88.7 | -152.4 | 174.5 | -151.6 | 0 | 0 | 113.3 | L520 | L520-E522 HydrophobicContact CD2-CB 4.48Š| |||
| 523 | N | 32.4 | Very low | 32 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -155.8 | 99.9 | 153.3 | -85.1 | -58 | 0 | 0 | 0 | 109.7 | ||||
| 524 | N | 35.3 | Very low | 32.1 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -111.1 | 158.4 | 156.5 | -76.8 | -44.8 | 0 | 0 | 0 | 107.9 | ||||
| 525 | P | 39.8 | Very low | 32.5 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | -134.4 | 152.9 | 101.4 | 30.2 | -14.7 | 0 | 0 | 0 | 114.2 | |||||
| 526 | S | 29.5 | Very low | 32.5 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -67 | 162.1 | -174.5 | 39.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 527 | I | 30.7 | Very low | 32.8 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | 174.2 | 101 | 132.5 | -78.7 | 147.1 | 0 | 0 | 0 | 105.8 | ||||
| 528 | S | 31.3 | Very low | 32.5 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | 44.2 | 138.5 | 98.8 | -74.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 529 | D | 29.3 | Very low | 32.7 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | cis | -167.7 | 165.9 | 3.5 | -113.6 | -45.5 | 0 | 0 | 0 | 108.4 | ||||
| 530 | S | 35.6 | Very low | 33.1 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | trans | -21.5 | 153.8 | 171 | 64 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 531 | L | 32.4 | Very low | 33.5 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | -177.4 | 119.4 | 120.2 | -95.8 | 158.2 | 0 | 0 | 0 | 113.5 | |||||
| 532 | T | 31.9 | Very low | 34.1 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | trans | 24.5 | 129.4 | 138.6 | 52.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 533 | D | 36.2 | Very low | 33.9 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 19 | 126.6 | 136 | -55.9 | -34.9 | 0 | 0 | 0 | 119.9 | ||||
| 534 | Q | 34.5 | Very low | 34 | Very low | 194 Ų | 194 | 136 Ų | 136 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | trans | -144.5 | 131.2 | 134.4 | -80.4 | -146.9 | 0.9 | 0 | 0 | 112.3 | ||||
| 535 | E | 35.6 | Very low | 33.8 | Very low | 184 Ų | 184 | 134.2 Ų | 134.2 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -60.8 | 149 | 172 | -56.6 | 172.8 | 136 | 0 | 0 | 112.4 | ||||
| 536 | T | 31.4 | Very low | 33.5 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -152.2 | 92.9 | 151.6 | -23.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 537 | S | 32.8 | Very low | 34 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | 22.3 | 122.2 | 140.1 | 63.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 538 | V | 35.1 | Very low | 34.1 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | 53.3 | 124.9 | 118.2 | -173.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 539 | N | 30.9 | Very low | 34.5 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -158.6 | 111.7 | 118 | -87.2 | -33.9 | 0 | 0 | 0 | 111.6 | |||||
| 540 | V | 37.2 | Very low | 34.7 | Very low | 123 Ų | 123 | 140 Ų | 140 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | trans | -69.3 | 127.2 | 160.8 | 172.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 541 | I | 37.9 | Very low | 34.3 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -114.3 | 101.2 | 159.2 | -61.5 | 177 | 0 | 0 | 0 | 106 | ||||
| 542 | E | 41.4 | Very low | 34.2 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -68.8 | 122.1 | 161.6 | -170.8 | 168.6 | -165 | 0 | 0 | 107.4 | ||||
| 543 | G | 29.6 | Very low | 34.2 | Very low | 73 Ų | 73 | 142.2 Ų | 142.2 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -133.7 | 101.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 544 | D | 34.5 | Very low | 33.9 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -63.1 | 137.1 | -171.8 | -168 | 9.9 | 0 | 0 | 0 | 115.3 | ||||
| 545 | S | 32.6 | Very low | 33.6 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 177.9 | 92 | 145.1 | -76.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 546 | D | 32.3 | Very low | 33.4 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 28.3 | 154.1 | 141.3 | -90.2 | -14.8 | 0 | 0 | 0 | 125.2 | ||||
| 547 | P | 41.4 | Very low | 33.1 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -107.3 | 139.5 | -143.9 | 38.5 | -30.2 | 0 | 0 | 0 | 114.5 | ||||
| 548 | E | 32.6 | Very low | 32.9 | Very low | 199 Ų | 199 | 132.7 Ų | 132.7 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | trans | -86.2 | 125.2 | 162.2 | -84.6 | -165.9 | 156 | 0 | 0 | 111.6 | V550 | E548-V550 PolarHBondContact O-N 2.9Š| ||
| 549 | K | 38.2 | Very low | 32.7 | Very low | 168 Ų | 168 | 135 Ų | 135 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | trans | -54.9 | 117.4 | 174.5 | -171.4 | -174.1 | -170.3 | -130 | 0 | 112.1 | E551 | K549-E551 WeakPolarHBondContact CE-OE1 3.48Å; K549-E551 IonicContact NZ-OE1 3.48Å; K549-E551 PolarHBondContact NZ-OE1 3.26Å | ||
| 550 | V | 33.7 | Very low | 32.6 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -130.8 | 105.1 | 156.4 | 178.3 | 0 | 0 | 0 | 0 | 109 | E548 I552 | E548-V550 PolarHBondContact O-N 2.9Å; V550-I552 HydrophobicContact CG1-CG1 4.49Å; V550-I552 PolarHBondContact O-N 3.1Å | ||
| 551 | E | 28.8 | Very low | 32.2 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | trans | -64.2 | 112.3 | 167.9 | -76.7 | 163 | -175.5 | 0 | 0 | 109.4 | K549 | K549-E551 WeakPolarHBondContact CE-OE1 3.48Å; K549-E551 IonicContact NZ-OE1 3.48Å; K549-E551 PolarHBondContact NZ-OE1 3.26Å | ||
| 552 | I | 29.7 | Very low | 31.9 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 72% | 0.723 | 80% | 0.797 | S | S | * | * | trans | -101.7 | 101.2 | 158.6 | -60 | 173.1 | 0 | 0 | 0 | 106 | V550 N554 | V550-I552 HydrophobicContact CG1-CG1 4.49Å; V550-I552 PolarHBondContact O-N 3.1Å; I552-N554 PolarHBondContact O-N 3.37Å; I552-N554 VanDerWaalsContact O-N 3.16Å | ||
| 553 | S | 31.6 | Very low | 31.3 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -73.9 | 101.6 | 172.1 | 57.6 | 0 | 0 | 0 | 0 | 109.8 | G555 | S553-G555 PolarHBondContact O-N 3.22Š| ||
| 554 | N | 30.3 | Very low | 31.3 | Very low | 151 Ų | 151 | 136 Ų | 136 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | trans | -70.2 | 102.3 | 160.6 | -73.1 | -32.2 | 0 | 0 | 0 | 108.9 | I552 | I552-N554 PolarHBondContact O-N 3.37Å; I552-N554 VanDerWaalsContact O-N 3.16Å | ||
| 555 | G | 28.3 | Very low | 31 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | -94.1 | 85.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S553 | S553-G555 PolarHBondContact O-N 3.22Š| ||
| 556 | S | 30.2 | Very low | 30.9 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -70.5 | 123 | 168.4 | 45.4 | 0 | 0 | 0 | 0 | 110.7 | S558 | S556-S558 PolarHBondContact O-N 3.46Å; S556-S558 VanDerWaalsContact O-N 3.07Å | ||
| 557 | C | 26.8 | Very low | 30.7 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | trans | -66 | 101.2 | 161.4 | -93.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 558 | S | 28.1 | Very low | 30.1 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | trans | -90.4 | 117.3 | 170.6 | -55.6 | 0 | 0 | 0 | 0 | 108.8 | S556 | S556-S558 PolarHBondContact O-N 3.46Å; S556-S558 VanDerWaalsContact O-N 3.07Å | ||
| 559 | L | 30.9 | Very low | 29.8 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -62.8 | 129.1 | 169.9 | -74.6 | 159.4 | 0 | 0 | 0 | 109.6 | T561 | L559-T561 PolarHBondContact O-N 3.44Š| ||
| 560 | N | 29 | Very low | 29.2 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -60.9 | 114 | 174.6 | -68.1 | -40.5 | 0 | 0 | 0 | 110.7 | ||||
| 561 | T | 29.1 | Very low | 28.8 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -119.1 | 102.1 | 155.2 | 11.2 | 0 | 0 | 0 | 0 | 107.6 | L559 | L559-T561 PolarHBondContact O-N 3.44Š| ||
| 562 | S | 30.4 | Very low | 28.7 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -94.3 | 117.5 | 171.1 | 39.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 563 | L | 29.8 | Very low | 28.7 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -107 | 126.7 | 166.5 | -172.5 | 75.3 | 0 | 0 | 0 | 108.8 | ||||
| 564 | S | 28.9 | Very low | 28.5 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -159.6 | 102.5 | 160 | -64.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 565 | Q | 28.8 | Very low | 28.5 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | 101.9 | 136.8 | 71.1 | -165.5 | 178.1 | 18.7 | 0 | 0 | 112 | |||||
| 566 | S | 29.3 | Very low | 28.8 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | 94.8 | 106.5 | 160.8 | 84.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 567 | V | 29.1 | Very low | 28.9 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | 88.2 | 109.6 | 87.8 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 568 | Q | 27.7 | Very low | 29.4 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | 170 | 118.6 | 101.2 | -146.6 | 165.3 | -11.2 | 0 | 0 | 112.1 | |||||
| 569 | F | 27.6 | Very low | 29.5 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 77% | 0.772 | 79% | 0.788 | S | S | * | * | trans | 14.8 | 127.2 | 144.9 | -61 | -75 | 0 | 0 | 0 | 118.9 | ||||
| 570 | S | 25.6 | Very low | 29.7 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | 116.2 | 135.3 | 54.1 | 69.9 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 571 | S | 24.4 | Very low | 29.9 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 154.1 | 111.2 | 135 | 173.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 572 | V | 27.6 | Very low | 30 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | 72.1 | 142.4 | 134.2 | 176.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 573 | K | 30.2 | Very low | 30.2 | Very low | 200 Ų | 200 | 140.4 Ų | 140.4 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | cis | 175.5 | 146.5 | -19.4 | -175.9 | 177.5 | -178.4 | -175 | 0 | 104.7 | ||||
| 574 | G | 27.4 | Very low | 30.2 | Very low | 65 Ų | 65 | 139.2 Ų | 139.2 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | 112.6 | 96.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 575 | D | 29.4 | Very low | 30.5 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | 76.7 | 112.6 | 88.7 | -100.6 | -14.5 | 0 | 0 | 0 | 114 | |||||
| 576 | N | 35 | Very low | 30.7 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | -175.1 | 133.4 | 121.6 | -86.2 | -35.2 | 0 | 0 | 0 | 111.4 | |||||
| 577 | N | 32.3 | Very low | 31 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | trans | -73.8 | 152.3 | -173.6 | -62.9 | -61.4 | 0 | 0 | 0 | 114.2 | ||||
| 578 | H | 36.6 | Very low | 31.3 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | 172.3 | 125.4 | 111.3 | -92.6 | -70 | 0 | 0 | 0 | 112 | |||||
| 579 | D | 31.7 | Very low | 31.6 | Very low | 137 Ų | 137 | 148.9 Ų | 148.9 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | 42.1 | 136.4 | 141 | -59 | -39.8 | 0 | 0 | 0 | 120.3 | ||||
| 580 | M | 34.6 | Very low | 32.1 | Very low | 143 Ų | 143 | 149 Ų | 149 | 70% | 0.704 | 80% | 0.798 | S | S | * | * | cis | -167.7 | 149.8 | 26.1 | -124.5 | -124.1 | 147.3 | 0 | 0 | 110.6 | ||||
| 581 | E | 32 | Very low | 32.4 | Very low | 160 Ų | 160 | 148.7 Ų | 148.7 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 59.4 | 112.1 | 150.7 | -78 | 176 | 173.3 | 0 | 0 | 123.1 | ||||
| 582 | L | 32.2 | Very low | 32.9 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -95.1 | 144.2 | 158.7 | -71.7 | 164.7 | 0 | 0 | 0 | 109.8 | ||||
| 583 | S | 33.5 | Very low | 33.5 | Very low | 118 Ų | 118 | 152.9 Ų | 152.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -144.5 | 98.2 | 161.9 | -76.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 584 | T | 31.1 | Very low | 33.7 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | trans | 4 | 136.9 | 147.4 | -24.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 585 | L | 35.4 | Very low | 34 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -67.2 | 144.6 | 165.4 | -66.1 | 159.9 | 0 | 0 | 0 | 112.9 | ||||
| 586 | K | 31.5 | Very low | 35.1 | Very low | 203 Ų | 203 | 153.2 Ų | 153.2 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -149.9 | 112.3 | 153.9 | -161 | 171.3 | -178.5 | -178.3 | 0 | 110.8 | ||||
| 587 | I | 35.7 | Very low | 35.4 | Very low | 167 Ų | 167 | 153.8 Ų | 153.8 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 131.5 | 169.2 | -67.1 | 169.6 | 0 | 0 | 0 | 106.6 | ||
| 588 | M | 35.7 | Very low | 35.7 | Very low | 171 Ų | 171 | 155.4 Ų | 155.4 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -100 | 127.9 | -175.1 | -166.7 | 166.4 | 77.9 | 0 | 0 | 110.4 | ||
| 589 | E | 33.9 | Very low | 35.9 | Very low | 184 Ų | 184 | 157.1 Ų | 157.1 | 86% | 0.86 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 140 | 173.6 | -175.9 | 177.4 | -177.8 | 0 | 0 | 110.1 | ||
| 590 | M | 38.1 | Very low | 36.2 | Very low | 178 Ų | 178 | 158.1 Ų | 158.1 | 88% | 0.877 | 85% | 0.848 | S | S | * | * | trans | -108.9 | 110.6 | 175.8 | -71 | 172.3 | 62.4 | 0 | 0 | 108.9 | ||||
| 591 | S | 32.1 | Very low | 36.2 | Very low | 99 Ų | 99 | 158.9 Ų | 158.9 | 69% | 0.692 | 86% | 0.856 | S | S | * | * | trans | -82.6 | 149.7 | 166.1 | -179.5 | 0 | 0 | 0 | 0 | 110 | E593 | S591-E593 PolarHBondContact OG-OE2 3.48Š| ||
| 592 | I | 35 | Very low | 36.5 | Very low | 158 Ų | 158 | 158.8 Ų | 158.8 | 81% | 0.81 | 86% | 0.862 | S | S | * | * | trans | -102.8 | 119 | -177.4 | -38.8 | 168.7 | 0 | 0 | 0 | 105.6 | ||||
| 593 | E | 39.3 | Very low | 36.7 | Very low | 163 Ų | 163 | 158.2 Ų | 158.2 | 76% | 0.762 | 86% | 0.861 | S | S | * | * | trans | -105.8 | 130.7 | 178.5 | -122.9 | 77.6 | -171.2 | 0 | 0 | 110.3 | S591 | S591-E593 PolarHBondContact OG-OE2 3.48Š| ||
| 594 | D | 36.2 | Very low | 36.9 | Very low | 158 Ų | 158 | 160.8 Ų | 160.8 | 85% | 0.845 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -68 | 148.1 | -177.3 | -75 | -49.6 | 0 | 0 | 0 | 114.2 | ||
| 595 | C | 33.4 | Very low | 37.3 | Very low | 127 Ų | 127 | 162 Ų | 162 | 86% | 0.858 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 138.8 | 170.1 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 596 | P | 52.5 | Low | 37.5 | Very low | 128 Ų | 128 | 161.9 Ų | 161.9 | 83% | 0.831 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 138.1 | 162.1 | 33.1 | -25.5 | 0 | 0 | 0 | 112.2 | ||
| 597 | L | 41.2 | Very low | 37.9 | Very low | 171 Ų | 171 | 158.8 Ų | 158.8 | 90% | 0.895 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -82 | 135.8 | 162.1 | -102 | 144.7 | 0 | 0 | 0 | 109.4 | ||
| 598 | D | 38.3 | Very low | 38.1 | Very low | 160 Ų | 160 | 158.1 Ų | 158.1 | 86% | 0.856 | 86% | 0.862 | S | S | * | * | trans | 175.8 | 132.2 | 158.3 | -103.7 | -7.4 | 0 | 0 | 0 | 105.9 | ||||
| 599 | V | 41.5 | Very low | 38.3 | Very low | 200 Ų | 200 | 156.9 Ų | 156.9 | 100% | 1.212 | 86% | 0.863 | S | S | * | * | cis | -151.7 | 0 | 9.5 | 155 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 599 of 599 residues in 80.2 ms
(Link to these results)