| 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 | 46.9 | Very low | 54.2 | Low | 245 Ų | 245 | 138.3 Ų | 138.3 | 100% | 1.207 | 78% | 0.781 | S | S | * | * | 0 | 116.3 | 0 | -73.3 | -176.8 | 171.3 | 0 | 0 | 107.1 | |||||
| 2 | A | 46.6 | Very low | 54.3 | Low | 106 Ų | 106 | 139.7 Ų | 139.7 | 88% | 0.876 | 77% | 0.773 | S | S | * | * | trans | -87.1 | 126 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q4 | A2-Q4 PolarHBondContact O-N 3.39Š| ||
| 3 | V | 49.1 | Very low | 54.5 | Low | 140 Ų | 140 | 136.7 Ų | 136.7 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | -81.9 | 115.1 | 178.4 | -160.5 | 0 | 0 | 0 | 0 | 107.4 | T5 | V3-T5 PolarHBondContact O-N 3.41Š| ||
| 4 | Q | 47.6 | Very low | 54.6 | Low | 192 Ų | 192 | 134.5 Ų | 134.5 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | trans | -74.5 | 108.8 | -178.7 | -159.2 | 160.9 | 59.4 | 0 | 0 | 108.2 | A2 | A2-Q4 PolarHBondContact O-N 3.39Š| ||
| 5 | T | 57.9 | Low | 54.6 | Low | 119 Ų | 119 | 138.5 Ų | 138.5 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | trans | -74.4 | 123.6 | 172.3 | 46 | 0 | 0 | 0 | 0 | 108.8 | V3 I7 | V3-T5 PolarHBondContact O-N 3.41Å; T5-I7 PolarHBondContact O-N 3.49Å; T5-I7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | A | 55.9 | Low | 54.6 | Low | 93 Ų | 93 | 135.4 Ų | 135.4 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -69.6 | 109.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109 | M8 | A6-M8 PolarHBondContact O-N 3.29Å; A6-M8 VanDerWaalsContact O-N 3.1Å | ||
| 7 | I | 59.6 | Low | 54.1 | Low | 162 Ų | 162 | 136.9 Ų | 136.9 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | -74.3 | 97.2 | 171.4 | -60.7 | 171.7 | 0 | 0 | 0 | 106.6 | T5 | T5-I7 PolarHBondContact O-N 3.49Å; T5-I7 VanDerWaalsContact O-N 3.16Å | ||
| 8 | M | 62.6 | Low | 53.7 | Low | 136 Ų | 136 | 136.3 Ų | 136.3 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | trans | -76 | 137.6 | 169.4 | -81.5 | -177 | 63.8 | 0 | 0 | 110.3 | A6 M13 | A6-M8 PolarHBondContact O-N 3.29Å; A6-M8 VanDerWaalsContact O-N 3.1Å; M8-M13 HydrophobicContact CE-CE 3.8Å | ||
| 9 | N | 53.4 | Low | 53 | Low | 76 Ų | 76 | 136.8 Ų | 136.8 | 41% | 0.406 | 75% | 0.751 | S | S | . | * | trans | -65.5 | 123.3 | -177.6 | -176.3 | -11.6 | 0 | 0 | 0 | 110.7 | Q11 F12 | N9-Q11 PolarHBondContact O-N 3.08Å; N9-Q11 WeakPolarHBondContact OD1-CB 3.26Å; N9-Q11 VanDerWaalsContact OD1-CG 3.29Å; N9-Q11 WeakPolarHBondContact OD1-CG 3.19Å; N9-Q11 PolarHBondContact OD1-N 2.8Å; N9-F12 HydrophobicContact CB-CD2 4.35Å; N9-F12 PolarHBondContact O-N 3.15Å | ||
| 10 | P | 60.6 | Low | 53.1 | Low | 98 Ų | 98 | 135.4 Ų | 135.4 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -64.5 | -13.6 | -175.9 | 24.8 | -33.8 | 0 | 0 | 0 | 113.9 | F12 M13 | P10-F12 PolarHBondContact O-N 3.27Å; P10-M13 PolarHBondContact O-N 3.04Å |
| 11 | Q | 56.6 | Low | 52.6 | Low | 154 Ų | 154 | 134 Ų | 134 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -69.1 | -15 | -178.7 | -62.5 | 179.3 | -8.1 | 0 | 0 | 114 | N9 | N9-Q11 PolarHBondContact O-N 3.08Å; N9-Q11 WeakPolarHBondContact OD1-CB 3.26Å; N9-Q11 VanDerWaalsContact OD1-CG 3.29Å; N9-Q11 WeakPolarHBondContact OD1-CG 3.19Å; N9-Q11 PolarHBondContact OD1-N 2.8Å |
| 12 | F | 55.4 | Low | 52.6 | Low | 155 Ų | 155 | 130.7 Ų | 130.7 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -100.9 | -7.8 | 178.1 | -67.8 | -80.5 | 0 | 0 | 0 | 114 | N9 P10 | N9-F12 HydrophobicContact CB-CD2 4.35Å; N9-F12 PolarHBondContact O-N 3.15Å; P10-F12 PolarHBondContact O-N 3.27Å |
| 13 | M | 56.6 | Low | 52.4 | Low | 101 Ų | 101 | 134 Ų | 134 | 50% | 0.498 | 73% | 0.727 | S | S | . | * | G | 310 helix | trans | -82.6 | -15.3 | -177.9 | -74.6 | -67 | 170.4 | 0 | 0 | 113.7 | M8 P10 F15 | M8-M13 HydrophobicContact CE-CE 3.8Å; P10-M13 PolarHBondContact O-N 3.04Å; M13-F15 PolarHBondContact O-N 3.24Å |
| 14 | S | 55.5 | Low | 52 | Low | 106 Ų | 106 | 137.3 Ų | 137.3 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -73.4 | -1.6 | -179.9 | -57.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 15 | F | 54.9 | Low | 51.5 | Low | 195 Ų | 195 | 135 Ų | 135 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -104.5 | -6.2 | -179.3 | -144 | -93.5 | 0 | 0 | 0 | 114 | M13 | M13-F15 PolarHBondContact O-N 3.24Š|
| 16 | C | 53.6 | Low | 51.3 | Low | 88 Ų | 88 | 134.1 Ų | 134.1 | 60% | 0.595 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -114.4 | -3.8 | -173.4 | -69.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 17 | F | 46.8 | Very low | 51.1 | Low | 161 Ų | 161 | 137.3 Ų | 137.3 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | trans | -144.1 | 102.8 | 170.3 | -59.9 | -79.5 | 0 | 0 | 0 | 108.7 | D19 | F17-D19 PolarHBondContact O-N 2.85Š| ||
| 18 | P | 47.9 | Very low | 50.7 | Low | 126 Ų | 126 | 139.5 Ų | 139.5 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -58.7 | 112.7 | 159.1 | -13.3 | 27.6 | 0 | 0 | 0 | 106.3 | S20 | P18-S20 PolarHBondContact O-N 3.3Š| ||
| 19 | D | 40.2 | Very low | 49.8 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | trans | -56.8 | 98.4 | 176.2 | -152.4 | -0.8 | 0 | 0 | 0 | 108 | F17 V21 | F17-D19 PolarHBondContact O-N 2.85Å; D19-V21 PolarHBondContact O-N 3.14Å | ||
| 20 | S | 53.6 | Low | 49.6 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -80.8 | 71.9 | 175 | 69.4 | 0 | 0 | 0 | 0 | 108.4 | P18 | P18-S20 PolarHBondContact O-N 3.3Š| ||
| 21 | V | 43.2 | Very low | 49 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 65% | 0.648 | 76% | 0.761 | S | S | * | * | trans | -103.6 | 84.1 | 155.9 | -177.5 | 0 | 0 | 0 | 0 | 105.6 | D19 E23 | D19-V21 PolarHBondContact O-N 3.14Å; V21-E23 PolarHBondContact O-N 3.2Å | ||
| 22 | M | 46.9 | Very low | 48.7 | Very low | 175 Ų | 175 | 143 Ų | 143 | 86% | 0.862 | 76% | 0.764 | S | S | * | * | trans | -70.5 | 84.8 | 163.1 | -67.8 | -66.3 | -171.9 | 0 | 0 | 106.9 | Y24 | M22-Y24 PolarHBondContact O-N 2.77Š| ||
| 23 | E | 42.5 | Very low | 48.1 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -65 | 122.2 | 161.5 | -171.3 | 170.7 | 177.6 | 0 | 0 | 107.5 | V21 D25 | V21-E23 PolarHBondContact O-N 3.2Å; E23-D25 PolarHBondContact O-N 2.85Å | ||
| 24 | Y | 40.8 | Very low | 47.7 | Very low | 209 Ų | 209 | 143.9 Ų | 143.9 | 82% | 0.82 | 79% | 0.786 | S | S | * | * | trans | -79.3 | 83.9 | -174 | -147.3 | -100 | 0 | 0 | 0 | 108.8 | M22 V26 | M22-Y24 PolarHBondContact O-N 2.77Å; Y24-V26 VanDerWaalsContact C-N 3.31Å; Y24-V26 HydrophobicContact CD1-CB 4.33Å; Y24-V26 HydrophobicContact CD1-CG2 3.59Å; Y24-V26 HydrophobicContact CE1-CB 4.47Å; Y24-V26 HydrophobicContact CE1-CG2 3.35Å; Y24-V26 PolarHBondContact O-N 3.15Å | ||
| 25 | D | 37.8 | Very low | 47.4 | Very low | 145 Ų | 145 | 147 Ų | 147 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -85 | 80.3 | 166.4 | -158.9 | 12.5 | 0 | 0 | 0 | 108.9 | E23 E27 | E23-D25 PolarHBondContact O-N 2.85Å; D25-E27 PolarHBondContact O-N 3.29Å; D25-E27 VanDerWaalsContact O-N 3.1Å | ||
| 26 | V | 52.4 | Low | 46.9 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 60% | 0.6 | 78% | 0.783 | S | S | * | * | trans | -70.6 | 92.8 | 156.8 | 158 | 0 | 0 | 0 | 0 | 105.9 | Y24 | Y24-V26 VanDerWaalsContact C-N 3.31Å; Y24-V26 HydrophobicContact CD1-CB 4.33Å; Y24-V26 HydrophobicContact CD1-CG2 3.59Å; Y24-V26 HydrophobicContact CE1-CB 4.47Å; Y24-V26 HydrophobicContact CE1-CG2 3.35Å; Y24-V26 PolarHBondContact O-N 3.15Å | ||
| 27 | E | 52.8 | Low | 46.5 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 167.3 | 139.9 | 134.9 | -92.1 | 177.4 | -177.5 | 0 | 0 | 109 | D25 | D25-E27 PolarHBondContact O-N 3.29Å; D25-E27 VanDerWaalsContact O-N 3.1Å |
| 28 | K | 50.8 | Low | 46.7 | Very low | 208 Ų | 208 | 140.1 Ų | 140.1 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 90.3 | 68.9 | 154.5 | -142.8 | 177.3 | -171 | -167.4 | 0 | 117.9 | ||
| 29 | S | 44.2 | Very low | 47 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -170.2 | 66.8 | 137.9 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 30 | L | 48.5 | Very low | 47.9 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -127.5 | 38.2 | 174.8 | -147 | 104.3 | 0 | 0 | 0 | 112.8 | ||||
| 31 | D | 48.1 | Very low | 48.5 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 94% | 0.941 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -121.5 | 17.4 | -179 | -76.3 | -40.5 | 0 | 0 | 0 | 114 | ||
| 32 | G | 49.6 | Very low | 49.9 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -133.6 | 4.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 33 | S | 43.1 | Very low | 51.6 | Low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -145.5 | 48 | -175.4 | -166.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 34 | L | 49.6 | Very low | 53.8 | Low | 158 Ų | 158 | 133.3 Ų | 133.3 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | trans | -120.7 | 53.8 | 176.5 | -144.4 | 176.2 | 0 | 0 | 0 | 109.9 | ||||
| 35 | L | 47.8 | Very low | 56.2 | Low | 170 Ų | 170 | 129.5 Ų | 129.5 | 89% | 0.89 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -147.3 | 37.1 | 173.7 | -140.7 | 166.1 | 0 | 0 | 0 | 112.2 | ||
| 36 | C | 44.1 | Very low | 58.8 | Low | 95 Ų | 95 | 126.4 Ų | 126.4 | 64% | 0.642 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -152.3 | 28.7 | 168.2 | -158.7 | 0 | 0 | 0 | 0 | 111.7 | N40 | C36-N40 PolarHBondContact O-ND2 3.05Š|
| 37 | E | 46.3 | Very low | 60.8 | Low | 120 Ų | 120 | 126 Ų | 126 | 56% | 0.561 | 69% | 0.685 | S | S | * | * | trans | -125.7 | 70 | -177.1 | -71.1 | -73.7 | 88 | 0 | 0 | 108.2 | N40 | E37-N40 WeakPolarHBondContact OE1-CB 3.48Å; E37-N40 PolarHBondContact OE1-ND2 2.96Å | ||
| 38 | A | 51.1 | Low | 62.8 | Low | 85 Ų | 85 | 121.1 Ų | 121.1 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -143 | -29.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 39 | E | 53.3 | Low | 65 | Low | 164 Ų | 164 | 117.6 Ų | 117.6 | 77% | 0.766 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -86.2 | -33.9 | 171.4 | -68.8 | 177.6 | 133.4 | 0 | 0 | 112 | D41 E42 D43 | E39-D41 VanDerWaalsContact C-N 3.33Å; E39-D41 PolarHBondContact O-N 3.22Å; E39-E42 PolarHBondContact O-N 3.27Å; E39-D43 PolarHBondContact O-N 2.72Å |
| 40 | N | 59.2 | Low | 67.6 | Low | 73 Ų | 73 | 116.4 Ų | 116.4 | 39% | 0.39 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.4 | -22.6 | -179 | -74.3 | -68.1 | 0 | 0 | 0 | 115 | C36 E37 E42 F44 | C36-N40 PolarHBondContact O-ND2 3.05Å; E37-N40 WeakPolarHBondContact OE1-CB 3.48Å; E37-N40 PolarHBondContact OE1-ND2 2.96Å; N40-E42 VanDerWaalsContact C-N 3.34Å; N40-F44 WeakPolarHBondContact O-CB 3Å; N40-F44 PolarHBondContact O-N 3.48Å |
| 41 | D | 66.6 | Low | 69.9 | Low | 87 Ų | 87 | 113.1 Ų | 113.1 | 47% | 0.465 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69 | -34.4 | -179.9 | -104.2 | -44.7 | 0 | 0 | 0 | 112.1 | E39 K45 | E39-D41 VanDerWaalsContact C-N 3.33Å; E39-D41 PolarHBondContact O-N 3.22Å; D41-K45 WeakPolarHBondContact O-CB 3.43Å; D41-K45 WeakPolarHBondContact O-CD 3.28Å; D41-K45 VanDerWaalsContact O-CG 3.23Å; D41-K45 WeakPolarHBondContact O-CG 2.98Å; D41-K45 PolarHBondContact O-N 2.95Å |
| 42 | E | 73.4 | Confident | 72.3 | Confident | 141 Ų | 141 | 109.4 Ų | 109.4 | 66% | 0.659 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -77.2 | -41.3 | 177.6 | -157.6 | 161.8 | 141.5 | 0 | 0 | 110.3 | E39 N40 F44 K45 E46 | E39-E42 PolarHBondContact O-N 3.27Å; N40-E42 VanDerWaalsContact C-N 3.34Å; E42-F44 PolarHBondContact O-N 3.16Å; E42-K45 CarbonylContact O-C 3.55Å; E42-K45 WeakPolarHBondContact O-CB 3.38Å; E42-K45 PolarHBondContact O-N 2.75Å; E42-E46 WeakPolarHBondContact O-CB 3.34Å; E42-E46 PolarHBondContact O-N 2.97Å |
| 43 | D | 81.9 | Confident | 74.6 | Confident | 90 Ų | 90 | 108.9 Ų | 108.9 | 48% | 0.481 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.5 | -37.4 | 173.4 | -70.1 | -33.7 | 0 | 0 | 0 | 112.8 | E39 E46 T47 | E39-D43 PolarHBondContact O-N 2.72Å; D43-E46 PolarHBondContact O-N 3.41Å; D43-T47 VanDerWaalsContact O-CB 3.26Å; D43-T47 WeakPolarHBondContact O-CB 3.38Å; D43-T47 PolarHBondContact O-N 3.45Å; D43-T47 PolarHBondContact O-OG1 2.93Å |
| 44 | F | 88.1 | Confident | 77.2 | Confident | 141 Ų | 141 | 110.1 Ų | 110.1 | 62% | 0.618 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.5 | -40.3 | 174.2 | -179.6 | -98 | 0 | 0 | 0 | 111.1 | N40 E42 T48 | N40-F44 WeakPolarHBondContact O-CB 3Å; N40-F44 PolarHBondContact O-N 3.48Å; E42-F44 PolarHBondContact O-N 3.16Å; F44-T48 VanDerWaalsContact O-CB 3.3Å; F44-T48 WeakPolarHBondContact O-CB 3.24Å; F44-T48 PolarHBondContact O-N 3.12Å; F44-T48 PolarHBondContact O-OG1 3.15Å |
| 45 | K | 90.7 | Very high | 79.5 | Confident | 129 Ų | 129 | 106.2 Ų | 106.2 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.8 | -39.6 | 173.3 | -76.1 | 170.9 | -174.1 | 166.6 | 0 | 111.9 | D41 E42 T48 R49 | D41-K45 WeakPolarHBondContact O-CB 3.43Å; D41-K45 WeakPolarHBondContact O-CD 3.28Å; D41-K45 VanDerWaalsContact O-CG 3.23Å; D41-K45 WeakPolarHBondContact O-CG 2.98Å; D41-K45 PolarHBondContact O-N 2.95Å; E42-K45 CarbonylContact O-C 3.55Å; E42-K45 WeakPolarHBondContact O-CB 3.38Å; E42-K45 PolarHBondContact O-N 2.75Å; K45-T48 PolarHBondContact O-N 3.49Å; K45-R49 WeakPolarHBondContact O-CB 3.25Å; K45-R49 VanDerWaalsContact O-CG 3.28Å; K45-R49 WeakPolarHBondContact O-CG 3.37Å; K45-R49 PolarHBondContact O-N 3.15Å |
| 46 | E | 93.1 | Very high | 81.9 | Confident | 79 Ų | 79 | 103.4 Ų | 103.4 | 37% | 0.369 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.7 | -49.4 | 174.4 | -166.2 | 108.9 | -121.9 | 0 | 0 | 110.5 | E42 D43 T48 R49 D50 | E42-E46 WeakPolarHBondContact O-CB 3.34Å; E42-E46 PolarHBondContact O-N 2.97Å; D43-E46 PolarHBondContact O-N 3.41Å; E46-T48 VanDerWaalsContact C-N 3.28Å; E46-T48 PolarHBondContact O-N 3.07Å; E46-R49 CarbonylContact O-C 3.58Å; E46-R49 WeakPolarHBondContact O-CA 3.16Å; E46-R49 WeakPolarHBondContact O-CB 3.21Å; E46-R49 PolarHBondContact O-N 3.48Å; E46-R49 IonicContact OE1-CZ 3.35Å; E46-R49 IonicContact OE1-NH1 3.32Å; E46-R49 PolarHBondContact OE1-NH1 2.8Å; E46-R49 IonicContact OE1-NH2 2.7Å; E46-R49 PolarHBondContact OE1-NH2 3.07Å; E46-R49 IonicContact OE2-NH2 3.33Å; E46-R49 PolarHBondContact OE2-NH2 3.09Å; E46-D50 WeakPolarHBondContact O-CB 3.41Å; E46-D50 PolarHBondContact O-N 3.27Å |
| 47 | T | 94.9 | Very high | 84.5 | Confident | 91 Ų | 91 | 102.4 Ų | 102.4 | 56% | 0.558 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59 | -40 | 176.4 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | D43 D50 L51 | D43-T47 VanDerWaalsContact O-CB 3.26Å; D43-T47 WeakPolarHBondContact O-CB 3.38Å; D43-T47 PolarHBondContact O-N 3.45Å; D43-T47 PolarHBondContact O-OG1 2.93Å; T47-D50 PolarHBondContact O-N 2.93Å; T47-L51 WeakPolarHBondContact O-CB 3.35Å; T47-L51 PolarHBondContact O-N 3.31Å |
| 48 | T | 95.6 | Very high | 86.9 | Confident | 57 Ų | 57 | 98.2 Ų | 98.2 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 175.6 | -58 | 0 | 0 | 0 | 0 | 111.4 | F44 K45 E46 L51 L52 | F44-T48 VanDerWaalsContact O-CB 3.3Å; F44-T48 WeakPolarHBondContact O-CB 3.24Å; F44-T48 PolarHBondContact O-N 3.12Å; F44-T48 PolarHBondContact O-OG1 3.15Å; K45-T48 PolarHBondContact O-N 3.49Å; E46-T48 VanDerWaalsContact C-N 3.28Å; E46-T48 PolarHBondContact O-N 3.07Å; T48-L51 PolarHBondContact O-N 3.49Å; T48-L52 HydrophobicContact CG2-CD1 4.21Å; T48-L52 VanDerWaalsContact O-CG 3.28Å; T48-L52 WeakPolarHBondContact O-CG 3.28Å; T48-L52 PolarHBondContact O-N 3.15Å |
| 49 | R | 96.6 | Very high | 89.1 | Confident | 134 Ų | 134 | 96.9 Ų | 96.9 | 51% | 0.506 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 174 | -77.8 | -172.7 | -65.5 | 126.1 | -7.4 | 111.6 | K45 E46 L52 S53 | K45-R49 WeakPolarHBondContact O-CB 3.25Å; K45-R49 VanDerWaalsContact O-CG 3.28Å; K45-R49 WeakPolarHBondContact O-CG 3.37Å; K45-R49 PolarHBondContact O-N 3.15Å; E46-R49 CarbonylContact O-C 3.58Å; E46-R49 WeakPolarHBondContact O-CA 3.16Å; E46-R49 WeakPolarHBondContact O-CB 3.21Å; E46-R49 PolarHBondContact O-N 3.48Å; E46-R49 IonicContact OE1-CZ 3.35Å; E46-R49 IonicContact OE1-NH1 3.32Å; E46-R49 PolarHBondContact OE1-NH1 2.8Å; E46-R49 IonicContact OE1-NH2 2.7Å; E46-R49 PolarHBondContact OE1-NH2 3.07Å; E46-R49 IonicContact OE2-NH2 3.33Å; E46-R49 PolarHBondContact OE2-NH2 3.09Å; R49-L52 PolarHBondContact O-N 3.05Å; R49-S53 WeakPolarHBondContact O-CB 3.42Å; R49-S53 PolarHBondContact O-N 3.03Å |
| 50 | D | 97.3 | Very high | 91.2 | Very high | 95 Ų | 95 | 92 Ų | 92 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 178.3 | -75.5 | -11 | 0 | 0 | 0 | 111.3 | E46 T47 S53 F54 | E46-D50 WeakPolarHBondContact O-CB 3.41Å; E46-D50 PolarHBondContact O-N 3.27Å; T47-D50 PolarHBondContact O-N 2.93Å; D50-S53 PolarHBondContact O-N 2.95Å; D50-F54 VanDerWaalsContact O-CB 3.28Å; D50-F54 WeakPolarHBondContact O-CB 3.39Å; D50-F54 PolarHBondContact O-N 3.33Å |
| 51 | L | 97.8 | Very high | 93 | Very high | 99 Ų | 99 | 93.9 Ų | 93.9 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 174.5 | 178.3 | 60 | 0 | 0 | 0 | 111.6 | T47 T48 S53 F54 I55 | T47-L51 WeakPolarHBondContact O-CB 3.35Å; T47-L51 PolarHBondContact O-N 3.31Å; T48-L51 PolarHBondContact O-N 3.49Å; L51-S53 VanDerWaalsContact C-N 3.35Å; L51-F54 PolarHBondContact O-N 3.17Å; L51-I55 HydrophobicContact CD1-CD1 4.07Å; L51-I55 HydrophobicContact CD1-CG1 4.33Å; L51-I55 HydrophobicContact CG-CD1 3.94Å; L51-I55 WeakPolarHBondContact O-CB 3.43Å; L51-I55 VanDerWaalsContact O-CG1 3.22Å; L51-I55 WeakPolarHBondContact O-CG1 3.4Å; L51-I55 PolarHBondContact O-N 3.12Å |
| 52 | L | 97.8 | Very high | 94.4 | Very high | 98 Ų | 98 | 94.4 Ų | 94.4 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 177.3 | -71.1 | 168.5 | 0 | 0 | 0 | 111.4 | T48 R49 F54 I55 D56 | T48-L52 HydrophobicContact CG2-CD1 4.21Å; T48-L52 VanDerWaalsContact O-CG 3.28Å; T48-L52 WeakPolarHBondContact O-CG 3.28Å; T48-L52 PolarHBondContact O-N 3.15Å; R49-L52 PolarHBondContact O-N 3.05Å; L52-F54 VanDerWaalsContact C-N 3.34Å; L52-F54 PolarHBondContact O-N 3.14Å; L52-I55 PolarHBondContact O-N 3.17Å; L52-D56 WeakPolarHBondContact O-CB 3.36Å; L52-D56 PolarHBondContact O-N 3.31Å |
| 53 | S | 97.9 | Very high | 95.4 | Very high | 65 Ų | 65 | 94.1 Ų | 94.1 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 175.4 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | R49 D50 L51 D56 S57 | R49-S53 WeakPolarHBondContact O-CB 3.42Å; R49-S53 PolarHBondContact O-N 3.03Å; D50-S53 PolarHBondContact O-N 2.95Å; L51-S53 VanDerWaalsContact C-N 3.35Å; S53-D56 PolarHBondContact O-N 3.14Å; S53-S57 VanDerWaalsContact O-CB 3.27Å; S53-S57 WeakPolarHBondContact O-CB 3.4Å; S53-S57 PolarHBondContact O-N 2.88Å; S53-S57 PolarHBondContact O-OG 2.97Å |
| 54 | F | 98.2 | Very high | 95.9 | Very high | 141 Ų | 141 | 95.6 Ų | 95.6 | 62% | 0.618 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 173.9 | 173.7 | -101 | 0 | 0 | 0 | 111.1 | D50 L51 L52 D56 S57 A58 | D50-F54 VanDerWaalsContact O-CB 3.28Å; D50-F54 WeakPolarHBondContact O-CB 3.39Å; D50-F54 PolarHBondContact O-N 3.33Å; L51-F54 PolarHBondContact O-N 3.17Å; L52-F54 VanDerWaalsContact C-N 3.34Å; L52-F54 PolarHBondContact O-N 3.14Å; F54-D56 VanDerWaalsContact C-N 3.34Å; F54-D56 PolarHBondContact O-N 3.28Å; F54-S57 PolarHBondContact O-N 3.08Å; F54-A58 HydrophobicContact CZ-CB 4.47Å; F54-A58 WeakPolarHBondContact O-CB 3.47Å; F54-A58 PolarHBondContact O-N 3.26Å |
| 55 | I | 98.1 | Very high | 96.1 | Very high | 76 Ų | 76 | 92.7 Ų | 92.7 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 176.5 | -70.4 | 164.8 | 0 | 0 | 0 | 110.3 | L51 L52 S57 S59 | L51-I55 HydrophobicContact CD1-CD1 4.07Å; L51-I55 HydrophobicContact CD1-CG1 4.33Å; L51-I55 HydrophobicContact CG-CD1 3.94Å; L51-I55 WeakPolarHBondContact O-CB 3.43Å; L51-I55 VanDerWaalsContact O-CG1 3.22Å; L51-I55 WeakPolarHBondContact O-CG1 3.4Å; L51-I55 PolarHBondContact O-N 3.12Å; L52-I55 PolarHBondContact O-N 3.17Å; I55-S57 PolarHBondContact O-N 3.45Å; I55-S59 WeakPolarHBondContact O-CB 3.08Å; I55-S59 PolarHBondContact O-N 3.21Å; I55-S59 PolarHBondContact O-OG 3.01Å |
| 56 | D | 98 | Very high | 96.2 | Very high | 112 Ų | 112 | 93.1 Ų | 93.1 | 60% | 0.599 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 178.4 | -75.3 | -25.2 | 0 | 0 | 0 | 111.6 | L52 S53 F54 S59 S60 | L52-D56 WeakPolarHBondContact O-CB 3.36Å; L52-D56 PolarHBondContact O-N 3.31Å; S53-D56 PolarHBondContact O-N 3.14Å; F54-D56 VanDerWaalsContact C-N 3.34Å; F54-D56 PolarHBondContact O-N 3.28Å; D56-S59 PolarHBondContact O-N 3.48Å; D56-S60 VanDerWaalsContact O-CB 3.31Å; D56-S60 WeakPolarHBondContact O-CB 3.34Å; D56-S60 PolarHBondContact O-N 3.18Å |
| 57 | S | 97.9 | Very high | 96.1 | Very high | 73 Ų | 73 | 93.9 Ų | 93.9 | 51% | 0.51 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.7 | -46.3 | 178.8 | -62.2 | 0 | 0 | 0 | 0 | 112 | S53 F54 I55 S60 N61 | S53-S57 VanDerWaalsContact O-CB 3.27Å; S53-S57 WeakPolarHBondContact O-CB 3.4Å; S53-S57 PolarHBondContact O-N 2.88Å; S53-S57 PolarHBondContact O-OG 2.97Å; F54-S57 PolarHBondContact O-N 3.08Å; I55-S57 PolarHBondContact O-N 3.45Å; S57-S60 PolarHBondContact O-N 2.74Å; S57-N61 PolarHBondContact O-N 3.08Å |
| 58 | A | 97.8 | Very high | 95.4 | Very high | 32 Ų | 32 | 98.5 Ų | 98.5 | 26% | 0.264 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F54 S60 N61 I62 | F54-A58 HydrophobicContact CZ-CB 4.47Å; F54-A58 WeakPolarHBondContact O-CB 3.47Å; F54-A58 PolarHBondContact O-N 3.26Å; A58-S60 PolarHBondContact O-N 2.82Å; A58-N61 PolarHBondContact O-N 2.9Å; A58-I62 WeakPolarHBondContact O-CG1 3.38Å; A58-I62 PolarHBondContact O-N 3.3Å |
| 59 | S | 97.6 | Very high | 94.6 | Very high | 58 Ų | 58 | 101.4 Ų | 101.4 | 41% | 0.406 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 177.5 | -62.9 | 0 | 0 | 0 | 0 | 112 | I55 D56 K63 | I55-S59 WeakPolarHBondContact O-CB 3.08Å; I55-S59 PolarHBondContact O-N 3.21Å; I55-S59 PolarHBondContact O-OG 3.01Å; D56-S59 PolarHBondContact O-N 3.48Å; S59-K63 WeakPolarHBondContact O-CB 3.32Å; S59-K63 PolarHBondContact O-N 2.87Å |
| 60 | S | 97.3 | Very high | 93.7 | Very high | 62 Ų | 62 | 101.5 Ų | 101.5 | 43% | 0.434 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.5 | -43.2 | 173.7 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | D56 S57 A58 K63 L64 | D56-S60 VanDerWaalsContact O-CB 3.31Å; D56-S60 WeakPolarHBondContact O-CB 3.34Å; D56-S60 PolarHBondContact O-N 3.18Å; S57-S60 PolarHBondContact O-N 2.74Å; A58-S60 PolarHBondContact O-N 2.82Å; S60-K63 WeakPolarHBondContact O-CB 3.49Å; S60-K63 PolarHBondContact O-N 2.85Å; S60-L64 WeakPolarHBondContact O-CG 3.3Å; S60-L64 PolarHBondContact O-N 3.43Å |
| 61 | N | 96.4 | Very high | 92.6 | Very high | 111 Ų | 111 | 105.9 Ų | 105.9 | 59% | 0.594 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.2 | -47 | 179 | -160.7 | -48.1 | 0 | 0 | 0 | 112.2 | S57 A58 K63 L64 A65 | S57-N61 PolarHBondContact O-N 3.08Å; A58-N61 PolarHBondContact O-N 2.9Å; N61-K63 VanDerWaalsContact C-N 3.29Å; N61-K63 PolarHBondContact O-N 3.19Å; N61-L64 PolarHBondContact O-N 3.3Å; N61-L64 VanDerWaalsContact O-N 3.15Å; N61-A65 PolarHBondContact O-N 2.84Å |
| 62 | I | 95.7 | Very high | 91.3 | Very high | 98 Ų | 98 | 106.2 Ų | 106.2 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -58.8 | -44 | 174.3 | -67.2 | 166.2 | 0 | 0 | 0 | 110.1 | A58 L64 A65 L66 | A58-I62 WeakPolarHBondContact O-CG1 3.38Å; A58-I62 PolarHBondContact O-N 3.3Å; I62-L64 VanDerWaalsContact C-N 3.33Å; I62-L64 PolarHBondContact O-N 2.77Å; I62-A65 PolarHBondContact O-N 3.36Å; I62-A65 VanDerWaalsContact O-N 3.16Å; I62-L66 HydrophobicContact CG2-CD1 3.62Å; I62-L66 HydrophobicContact CG2-CG 4.08Å; I62-L66 WeakPolarHBondContact O-CB 3.2Å; I62-L66 VanDerWaalsContact O-CG 3.3Å; I62-L66 WeakPolarHBondContact O-CG 3.33Å; I62-L66 PolarHBondContact O-N 3.1Å |
| 63 | K | 94.7 | Very high | 90.1 | Very high | 135 Ų | 135 | 111.3 Ų | 111.3 | 59% | 0.587 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -58.9 | -43 | 176.2 | -174.1 | -177.6 | -60.3 | 173.7 | 0 | 111.8 | S59 S60 N61 L66 D67 | S59-K63 WeakPolarHBondContact O-CB 3.32Å; S59-K63 PolarHBondContact O-N 2.87Å; S60-K63 WeakPolarHBondContact O-CB 3.49Å; S60-K63 PolarHBondContact O-N 2.85Å; N61-K63 VanDerWaalsContact C-N 3.29Å; N61-K63 PolarHBondContact O-N 3.19Å; K63-L66 PolarHBondContact O-N 3.21Å; K63-D67 WeakPolarHBondContact O-CA 3.47Å; K63-D67 WeakPolarHBondContact O-CB 3.46Å; K63-D67 PolarHBondContact O-N 3.05Å |
| 64 | L | 92.6 | Very high | 89.4 | Confident | 122 Ų | 122 | 119.3 Ų | 119.3 | 64% | 0.639 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.2 | -34 | 176.1 | -71.2 | 173.2 | 0 | 0 | 0 | 113.3 | S60 N61 I62 | S60-L64 WeakPolarHBondContact O-CG 3.3Å; S60-L64 PolarHBondContact O-N 3.43Å; N61-L64 PolarHBondContact O-N 3.3Å; N61-L64 VanDerWaalsContact O-N 3.15Å; I62-L64 VanDerWaalsContact C-N 3.33Å; I62-L64 PolarHBondContact O-N 2.77Å |
| 65 | A | 91.9 | Very high | 88.8 | Confident | 80 Ų | 80 | 121.2 Ų | 121.2 | 66% | 0.661 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74.5 | -35.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N61 I62 | N61-A65 PolarHBondContact O-N 2.84Å; I62-A65 PolarHBondContact O-N 3.36Å; I62-A65 VanDerWaalsContact O-N 3.16Å |
| 66 | L | 92.4 | Very high | 88.3 | Confident | 138 Ų | 138 | 121.9 Ų | 121.9 | 72% | 0.723 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -85.4 | -25.8 | 177.5 | -64.5 | -178.8 | 0 | 0 | 0 | 112.7 | I62 K63 K68 | I62-L66 HydrophobicContact CG2-CD1 3.62Å; I62-L66 HydrophobicContact CG2-CG 4.08Å; I62-L66 WeakPolarHBondContact O-CB 3.2Å; I62-L66 VanDerWaalsContact O-CG 3.3Å; I62-L66 WeakPolarHBondContact O-CG 3.33Å; I62-L66 PolarHBondContact O-N 3.1Å; K63-L66 PolarHBondContact O-N 3.21Å; L66-K68 PolarHBondContact O-N 2.96Å |
| 67 | D | 90.6 | Very high | 88 | Confident | 95 Ų | 95 | 121 Ų | 121 | 51% | 0.508 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -59.3 | 123.8 | 172.3 | -99.4 | -12.7 | 0 | 0 | 0 | 108.2 | K63 P69 | K63-D67 WeakPolarHBondContact O-CA 3.47Å; K63-D67 WeakPolarHBondContact O-CB 3.46Å; K63-D67 PolarHBondContact O-N 3.05Å; D67-P69 WeakPolarHBondContact O-CD 3.19Å |
| 68 | K | 80.6 | Confident | 87.9 | Confident | 188 Ų | 188 | 123.2 Ų | 123.2 | 82% | 0.817 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -52 | 120 | 174.9 | -69.9 | 175.2 | 179.3 | 174.5 | 0 | 106.3 | L66 V70 | L66-K68 PolarHBondContact O-N 2.96Å; K68-V70 PolarHBondContact O-N 2.98Å |
| 69 | P | 78.7 | Confident | 87.7 | Confident | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -52 | 126.6 | -176.2 | 19.3 | -31.8 | 0 | 0 | 0 | 107 | D67 K71 | D67-P69 WeakPolarHBondContact O-CD 3.19Å; P69-K71 VanDerWaalsContact C-N 3.28Å; P69-K71 PolarHBondContact O-N 3.09Å |
| 70 | V | 79.1 | Confident | 87.6 | Confident | 136 Ų | 136 | 135 Ų | 135 | 82% | 0.824 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -53.1 | 101.9 | -178.7 | 177.8 | 0 | 0 | 0 | 0 | 106.4 | K68 S72 | K68-V70 PolarHBondContact O-N 2.98Å; V70-S72 PolarHBondContact O-N 3.26Å |
| 71 | K | 73.5 | Confident | 87.5 | Confident | 186 Ų | 186 | 137.8 Ų | 137.8 | 81% | 0.809 | 67% | 0.674 | S | S | * | * | trans | -0.2 | 110.1 | -179.8 | 27.8 | 179.5 | 168.7 | -177.1 | 0 | 112.2 | P69 K73 | P69-K71 VanDerWaalsContact C-N 3.28Å; P69-K71 PolarHBondContact O-N 3.09Å; K71-K73 PolarHBondContact O-N 3.27Å; K71-K73 VanDerWaalsContact O-N 3.15Å | ||
| 72 | S | 71.1 | Confident | 87.4 | Confident | 107 Ų | 107 | 137.3 Ų | 137.3 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | trans | -35.3 | 121.2 | -174 | 74.7 | 0 | 0 | 0 | 0 | 111 | V70 R74 | V70-S72 PolarHBondContact O-N 3.26Å; S72-R74 PolarHBondContact O-N 3.18Å | ||
| 73 | K | 72.3 | Confident | 87.4 | Confident | 205 Ų | 205 | 138 Ų | 138 | 89% | 0.891 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -46.2 | 135.2 | 179.1 | -74.7 | -128.3 | -178.1 | 179.9 | 0 | 109.5 | K71 K75 | K71-K73 PolarHBondContact O-N 3.27Å; K71-K73 VanDerWaalsContact O-N 3.15Å; K73-K75 PolarHBondContact O-N 2.88Å |
| 74 | R | 83.4 | Confident | 87.3 | Confident | 233 Ų | 233 | 137 Ų | 137 | 88% | 0.879 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -16.2 | 116.7 | -175 | -176.8 | -174.8 | -70.8 | 158.7 | -3.2 | 112.9 | S72 V76 | S72-R74 PolarHBondContact O-N 3.18Å; R74-V76 PolarHBondContact O-N 3.32Å |
| 75 | K | 84.3 | Confident | 87.4 | Confident | 181 Ų | 181 | 134.2 Ų | 134.2 | 79% | 0.787 | 65% | 0.652 | S | S | * | * | trans | -45.3 | 113.5 | 176 | -175.6 | 162.4 | 179 | 169.1 | 0 | 110.1 | K73 | K73-K75 PolarHBondContact O-N 2.88Š| ||
| 76 | V | 87.6 | Confident | 87.4 | Confident | 90 Ų | 90 | 135.3 Ų | 135.3 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | trans | -68.4 | 139.6 | 176.4 | -66.7 | 0 | 0 | 0 | 0 | 108.9 | R74 H78 | R74-V76 PolarHBondContact O-N 3.32Å; V76-H78 PolarHBondContact O-N 3.27Å | ||
| 77 | N | 91.9 | Very high | 87.4 | Confident | 93 Ų | 93 | 137 Ų | 137 | 50% | 0.497 | 65% | 0.647 | S | S | . | * | trans | -79.8 | 108.3 | 173.6 | -177.8 | -77.3 | 0 | 0 | 0 | 108.5 | R79 K80 Y81 | N77-R79 PolarHBondContact O-N 3.33Å; N77-R79 WeakPolarHBondContact OD1-CB 3.32Å; N77-R79 PolarHBondContact OD1-N 3.29Å; N77-K80 HydrophobicContact CB-CB 4.12Å; N77-K80 HydrophobicContact CB-CD 4.38Å; N77-K80 HydrophobicContact CB-CG 4.21Å; N77-K80 PolarHBondContact O-N 3.19Å; N77-K80 PolarHBondContact OD1-N 2.96Å; N77-Y81 PolarHBondContact O-N 3.49Å | ||
| 78 | H | 95.4 | Very high | 87.2 | Confident | 120 Ų | 120 | 139.7 Ų | 139.7 | 56% | 0.556 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -56.7 | -36.1 | -175.6 | -58.1 | -70.4 | 0 | 0 | 0 | 113 | V76 Y81 L82 | V76-H78 PolarHBondContact O-N 3.27Å; H78-Y81 PolarHBondContact O-N 3.21Å; H78-L82 WeakPolarHBondContact O-CB 3.39Å; H78-L82 WeakPolarHBondContact O-CG 3.39Å; H78-L82 PolarHBondContact O-N 2.99Å |
| 79 | R | 95 | Very high | 87 | Confident | 187 Ų | 187 | 133 Ų | 133 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62 | -48.6 | 174.7 | 174 | -178.5 | -81.8 | -117.9 | 0.3 | 111.1 | N77 Y81 Q83 | N77-R79 PolarHBondContact O-N 3.33Å; N77-R79 WeakPolarHBondContact OD1-CB 3.32Å; N77-R79 PolarHBondContact OD1-N 3.29Å; R79-Y81 VanDerWaalsContact C-N 3.34Å; R79-Y81 PolarHBondContact O-N 2.93Å; R79-Q83 WeakPolarHBondContact O-CB 3.19Å; R79-Q83 WeakPolarHBondContact O-CG 3.16Å; R79-Q83 PolarHBondContact O-N 2.87Å |
| 80 | K | 94.8 | Very high | 86.8 | Confident | 149 Ų | 149 | 131.6 Ų | 131.6 | 65% | 0.648 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.7 | -37.2 | 176 | -70.3 | -170.6 | 176.5 | -174.1 | 0 | 112.2 | N77 K84 | N77-K80 HydrophobicContact CB-CB 4.12Å; N77-K80 HydrophobicContact CB-CD 4.38Å; N77-K80 HydrophobicContact CB-CG 4.21Å; N77-K80 PolarHBondContact O-N 3.19Å; N77-K80 PolarHBondContact OD1-N 2.96Å; K80-K84 WeakPolarHBondContact O-CB 3.45Å; K80-K84 PolarHBondContact O-N 3.04Å |
| 81 | Y | 95 | Very high | 86 | Confident | 121 Ų | 121 | 128.3 Ų | 128.3 | 48% | 0.475 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.9 | -50.6 | 177.5 | 178.2 | -95.6 | 0 | 0 | 0 | 111.7 | N77 H78 R79 Q83 K84 Q85 | N77-Y81 PolarHBondContact O-N 3.49Å; H78-Y81 PolarHBondContact O-N 3.21Å; R79-Y81 VanDerWaalsContact C-N 3.34Å; R79-Y81 PolarHBondContact O-N 2.93Å; Y81-Q83 VanDerWaalsContact C-N 3.33Å; Y81-Q83 PolarHBondContact O-N 3.03Å; Y81-K84 CarbonylContact O-C 3.54Å; Y81-K84 WeakPolarHBondContact O-CA 3.45Å; Y81-K84 WeakPolarHBondContact O-CB 3.46Å; Y81-K84 PolarHBondContact O-N 3.14Å; Y81-Q85 HydrophobicContact CD1-CG 4.03Å; Y81-Q85 HydrophobicContact CE1-CG 3.6Å; Y81-Q85 HydrophobicContact CE2-CG 4.23Å; Y81-Q85 VanDerWaalsContact CZ-NE2 3.31Å; Y81-Q85 WeakPolarHBondContact O-CG 3.4Å; Y81-Q85 PolarHBondContact O-N 2.86Å; Y81-Q85 PolarHBondContact OH-NE2 2.78Å |
| 82 | L | 95.4 | Very high | 85.4 | Confident | 101 Ų | 101 | 126 Ų | 126 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.8 | -42.3 | 176.5 | -73.2 | 173.6 | 0 | 0 | 0 | 111.5 | H78 K84 Q85 I86 | H78-L82 WeakPolarHBondContact O-CB 3.39Å; H78-L82 WeakPolarHBondContact O-CG 3.39Å; H78-L82 PolarHBondContact O-N 2.99Å; L82-K84 VanDerWaalsContact C-N 3.28Å; L82-K84 PolarHBondContact O-N 3.27Å; L82-Q85 PolarHBondContact O-N 3.15Å; L82-I86 WeakPolarHBondContact O-CB 3.28Å; L82-I86 VanDerWaalsContact O-CG1 3.25Å; L82-I86 WeakPolarHBondContact O-CG1 3.27Å; L82-I86 PolarHBondContact O-N 2.89Å |
| 83 | Q | 94.6 | Very high | 84.8 | Confident | 112 Ų | 112 | 126.9 Ų | 126.9 | 52% | 0.523 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -58.2 | -40.9 | 172.8 | -77 | 175.3 | -7.8 | 0 | 0 | 112 | R79 Y81 K87 | R79-Q83 WeakPolarHBondContact O-CB 3.19Å; R79-Q83 WeakPolarHBondContact O-CG 3.16Å; R79-Q83 PolarHBondContact O-N 2.87Å; Y81-Q83 VanDerWaalsContact C-N 3.33Å; Y81-Q83 PolarHBondContact O-N 3.03Å; Q83-K87 WeakPolarHBondContact O-CB 3.26Å; Q83-K87 PolarHBondContact O-N 3.4Å |
| 84 | K | 93.6 | Very high | 83.8 | Confident | 116 Ų | 116 | 122.3 Ų | 122.3 | 50% | 0.504 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.4 | -40.9 | 176.6 | -171.3 | 176.4 | -177.7 | -179.1 | 0 | 112 | K80 Y81 L82 R88 | K80-K84 WeakPolarHBondContact O-CB 3.45Å; K80-K84 PolarHBondContact O-N 3.04Å; Y81-K84 CarbonylContact O-C 3.54Å; Y81-K84 WeakPolarHBondContact O-CA 3.45Å; Y81-K84 WeakPolarHBondContact O-CB 3.46Å; Y81-K84 PolarHBondContact O-N 3.14Å; L82-K84 VanDerWaalsContact C-N 3.28Å; L82-K84 PolarHBondContact O-N 3.27Å; K84-R88 VanDerWaalsContact CE-NH2 3.31Å; K84-R88 VanDerWaalsContact O-CG 3.32Å; K84-R88 WeakPolarHBondContact O-CG 3.31Å; K84-R88 PolarHBondContact O-N 3.15Å; K84-R88 VanDerWaalsContact O-N 3.08Å |
| 85 | Q | 94.5 | Very high | 82 | Confident | 62 Ų | 62 | 116.4 Ų | 116.4 | 29% | 0.29 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67 | -48.6 | 178.3 | -68.6 | -58 | -18.6 | 0 | 0 | 111.2 | Y81 L82 K87 R88 C89 | Y81-Q85 HydrophobicContact CD1-CG 4.03Å; Y81-Q85 HydrophobicContact CE1-CG 3.6Å; Y81-Q85 HydrophobicContact CE2-CG 4.23Å; Y81-Q85 VanDerWaalsContact CZ-NE2 3.31Å; Y81-Q85 WeakPolarHBondContact O-CG 3.4Å; Y81-Q85 PolarHBondContact O-N 2.86Å; Y81-Q85 PolarHBondContact OH-NE2 2.78Å; L82-Q85 PolarHBondContact O-N 3.15Å; Q85-K87 PolarHBondContact O-N 3.33Å; Q85-R88 PolarHBondContact O-N 3.44Å; Q85-C89 PolarHBondContact O-N 2.93Å; Q85-C89 PolarHBondContact O-SG 3.5Å |
| 86 | I | 92.2 | Very high | 80.1 | Confident | 103 Ų | 103 | 111.5 Ų | 111.5 | 53% | 0.528 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.3 | -47.7 | 176.1 | -63.3 | 163.7 | 0 | 0 | 0 | 109.9 | L82 R88 C89 T90 | L82-I86 WeakPolarHBondContact O-CB 3.28Å; L82-I86 VanDerWaalsContact O-CG1 3.25Å; L82-I86 WeakPolarHBondContact O-CG1 3.27Å; L82-I86 PolarHBondContact O-N 2.89Å; I86-R88 PolarHBondContact O-N 2.97Å; I86-C89 CarbonylContact O-C 3.59Å; I86-C89 PolarHBondContact O-N 3.39Å; I86-T90 WeakPolarHBondContact O-CB 3.33Å; I86-T90 PolarHBondContact O-N 2.93Å; I86-T90 PolarHBondContact O-OG1 2.9Å |
| 87 | K | 91.1 | Very high | 77.5 | Confident | 174 Ų | 174 | 114.5 Ų | 114.5 | 76% | 0.757 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58.4 | -32.5 | 178.9 | -173.9 | 173.2 | -177.9 | 177.8 | 0 | 113 | Q83 Q85 | Q83-K87 WeakPolarHBondContact O-CB 3.26Å; Q83-K87 PolarHBondContact O-N 3.4Å; Q85-K87 PolarHBondContact O-N 3.33Å |
| 88 | R | 88.3 | Confident | 75.3 | Confident | 151 Ų | 151 | 116.2 Ų | 116.2 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.6 | -46.2 | 171.8 | -74.2 | 175.4 | 176.7 | -165.2 | -6.2 | 111.5 | K84 Q85 I86 T90 G91 | K84-R88 VanDerWaalsContact CE-NH2 3.31Å; K84-R88 VanDerWaalsContact O-CG 3.32Å; K84-R88 WeakPolarHBondContact O-CG 3.31Å; K84-R88 PolarHBondContact O-N 3.15Å; K84-R88 VanDerWaalsContact O-N 3.08Å; Q85-R88 PolarHBondContact O-N 3.44Å; I86-R88 PolarHBondContact O-N 2.97Å; R88-T90 PolarHBondContact O-N 3.34Å; R88-G91 PolarHBondContact O-N 2.89Å |
| 89 | C | 74.4 | Confident | 72.4 | Confident | 49 Ų | 49 | 114.7 Ų | 114.7 | 33% | 0.331 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.5 | -31.8 | -179.5 | -64.1 | 0 | 0 | 0 | 0 | 113.7 | Q85 I86 G91 I92 I93 | Q85-C89 PolarHBondContact O-N 2.93Å; Q85-C89 PolarHBondContact O-SG 3.5Å; I86-C89 CarbonylContact O-C 3.59Å; I86-C89 PolarHBondContact O-N 3.39Å; C89-G91 PolarHBondContact O-N 3.3Å; C89-I92 WeakPolarHBondContact O-CG1 3.34Å; C89-I92 PolarHBondContact O-N 3.39Å; C89-I92 VanDerWaalsContact O-N 3.09Å; C89-I93 HydrophobicContact CB-CD1 4.06Å; C89-I93 WeakPolarHBondContact O-CG1 3.43Å; C89-I93 PolarHBondContact O-N 2.83Å; C89-I93 VanDerWaalsContact O-N 3.07Å |
| 90 | T | 74.6 | Confident | 69.5 | Low | 88 Ų | 88 | 114.1 Ų | 114.1 | 54% | 0.54 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.9 | -25 | 176.9 | -59.3 | 0 | 0 | 0 | 0 | 112 | I86 R88 | I86-T90 WeakPolarHBondContact O-CB 3.33Å; I86-T90 PolarHBondContact O-N 2.93Å; I86-T90 PolarHBondContact O-OG1 2.9Å; R88-T90 PolarHBondContact O-N 3.34Å |
| 91 | G | 62.8 | Low | 66.6 | Low | 67 Ų | 67 | 111.5 Ų | 111.5 | 69% | 0.691 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -16.3 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | R88 C89 | R88-G91 PolarHBondContact O-N 2.89Å; C89-G91 PolarHBondContact O-N 3.3Å |
| 92 | I | 62.3 | Low | 64.4 | Low | 136 Ų | 136 | 111.3 Ų | 111.3 | 70% | 0.697 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | -19 | -175.5 | 46.5 | 174 | 0 | 0 | 0 | 113.8 | C89 | C89-I92 WeakPolarHBondContact O-CG1 3.34Å; C89-I92 PolarHBondContact O-N 3.39Å; C89-I92 VanDerWaalsContact O-N 3.09Å |
| 93 | I | 56.7 | Low | 61.5 | Low | 127 Ų | 127 | 112.7 Ų | 112.7 | 65% | 0.651 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -98.4 | 22 | 178.7 | -44.9 | 159.7 | 0 | 0 | 0 | 111.7 | C89 P95 | C89-I93 HydrophobicContact CB-CD1 4.06Å; C89-I93 WeakPolarHBondContact O-CG1 3.43Å; C89-I93 PolarHBondContact O-N 2.83Å; C89-I93 VanDerWaalsContact O-N 3.07Å; I93-P95 VanDerWaalsContact C-CD 3.43Å; I93-P95 WeakPolarHBondContact O-CD 3.47Å |
| 94 | T | 52.7 | Low | 58.9 | Low | 109 Ų | 109 | 116.2 Ų | 116.2 | 67% | 0.669 | 66% | 0.663 | S | S | * | * | trans | -94.3 | 92.6 | 162.1 | -55.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 95 | P | 45.1 | Very low | 56.1 | Low | 109 Ų | 109 | 121 Ų | 121 | 71% | 0.708 | 68% | 0.677 | S | S | * | * | trans | -65.9 | 135.8 | 161 | 30.2 | -31.6 | 0 | 0 | 0 | 107.3 | I93 N97 | I93-P95 VanDerWaalsContact C-CD 3.43Å; I93-P95 WeakPolarHBondContact O-CD 3.47Å; P95-N97 PolarHBondContact O-N 3.5Å | ||
| 96 | G | 44.9 | Very low | 53.2 | Low | 78 Ų | 78 | 127.2 Ų | 127.2 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -54.1 | 128.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 97 | N | 33.1 | Very low | 50.2 | Low | 152 Ų | 152 | 126.1 Ų | 126.1 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | trans | -113.9 | 117.6 | 143.9 | -165.8 | 27 | 0 | 0 | 0 | 106.6 | P95 | P95-N97 PolarHBondContact O-N 3.5Š| ||
| 98 | T | 44 | Very low | 47.4 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | -71.9 | 125.7 | 175.9 | 44.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 99 | S | 34.6 | Very low | 45.5 | Very low | 88 Ų | 88 | 121.4 Ų | 121.4 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | trans | -167.1 | 114.8 | 146 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 100 | E | 34.8 | Very low | 43.7 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 28.1 | 118.1 | 152.5 | 36.1 | -98.6 | 118.8 | 0 | 0 | 122.5 | ||||
| 101 | A | 33.5 | Very low | 41.6 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -9.3 | -178.5 | 143 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 102 | P | 49.4 | Very low | 40.5 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | -118.8 | 177.5 | -60.5 | 34.7 | -19.1 | 0 | 0 | 0 | 110 | |||||
| 103 | V | 34.7 | Very low | 39.2 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | 165 | 127.2 | 138.2 | 160.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 104 | K | 39.1 | Very low | 37.9 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -30.5 | 140.7 | 163.6 | -68.8 | 170.5 | 163.3 | 175.4 | 0 | 115.2 | ||||
| 105 | R | 35.3 | Very low | 37.5 | Very low | 215 Ų | 215 | 132.9 Ų | 132.9 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | 166 | 113.8 | 110.4 | -88.4 | -179.4 | -79.9 | 173 | -3.9 | 108.6 | |||||
| 106 | Q | 32.6 | Very low | 37 | Very low | 194 Ų | 194 | 135.8 Ų | 135.8 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | 65.8 | 128.3 | 91.6 | -120 | -172.3 | 7.2 | 0 | 0 | 113.9 | |||||
| 107 | G | 30.9 | Very low | 36.9 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 113.7 | 124.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 108 | S | 32.1 | Very low | 36.9 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -86 | -162.6 | 178.8 | -157.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 109 | P | 48.6 | Very low | 37 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | -101.5 | 154.2 | -119.2 | 34.6 | -16.5 | 0 | 0 | 0 | 114 | |||||
| 110 | V | 35.6 | Very low | 37 | Very low | 142 Ų | 142 | 142 Ų | 142 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -136.3 | 119.5 | 163.7 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 111 | S | 31.2 | Very low | 37.5 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | trans | -24.7 | 138.1 | 154.6 | -173.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 112 | Q | 40 | Very low | 38 | Very low | 185 Ų | 185 | 144.8 Ų | 144.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | 176.8 | 145.3 | 109.5 | -92.5 | -179.8 | -7.5 | 0 | 0 | 112.4 | |||||
| 113 | Q | 34.1 | Very low | 37.8 | Very low | 196 Ų | 196 | 148.8 Ų | 148.8 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -73.6 | 150.1 | 180 | -62.1 | 164.4 | -56.7 | 0 | 0 | 111.5 | ||||
| 114 | G | 30.3 | Very low | 38.1 | Very low | 69 Ų | 69 | 152.9 Ų | 152.9 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | 179.3 | 112.8 | 163 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 115 | P | 43.2 | Very low | 38.3 | Very low | 130 Ų | 130 | 153.2 Ų | 153.2 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | trans | -91.6 | 107.8 | 172.5 | 32 | -24.9 | 0 | 0 | 0 | 109.7 | ||||
| 116 | L | 35 | Very low | 38.4 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -115.6 | 122.5 | 164.7 | -81.2 | 169.8 | 0 | 0 | 0 | 109.9 | S118 | L116-S118 PolarHBondContact O-N 2.82Š| ||
| 117 | Q | 43.2 | Very low | 39.4 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | -53.6 | 130.3 | 176.1 | -58.8 | -168.3 | 3.1 | 0 | 0 | 111 | ||||
| 118 | S | 33 | Very low | 39.9 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | -121.5 | 97.4 | 163.2 | 33.9 | 0 | 0 | 0 | 0 | 108.5 | L116 T120 | L116-S118 PolarHBondContact O-N 2.82Å; S118-T120 PolarHBondContact O-N 3.21Å | ||
| 119 | K | 44.9 | Very low | 40.8 | Very low | 191 Ų | 191 | 144 Ų | 144 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -68.3 | 113.6 | 154.5 | -67.6 | 179.1 | 178.4 | 179.1 | 0 | 106.5 | ||||
| 120 | T | 35.9 | Very low | 40.6 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | trans | -133.6 | 97.9 | 165.8 | 29.2 | 0 | 0 | 0 | 0 | 109.8 | S118 Q122 | S118-T120 PolarHBondContact O-N 3.21Å; T120-Q122 PolarHBondContact O-N 3.48Å | ||
| 121 | L | 43.9 | Very low | 41.5 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -45.4 | 112.6 | 146.3 | 178.1 | 78.5 | 0 | 0 | 0 | 108.6 | ||||
| 122 | Q | 44.5 | Very low | 42.6 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -126.9 | 92.4 | 162.9 | -73.8 | -153.1 | -17 | 0 | 0 | 110.5 | T120 R124 | T120-Q122 PolarHBondContact O-N 3.48Å; Q122-R124 PolarHBondContact O-N 3.16Å | ||
| 123 | K | 46 | Very low | 43.3 | Very low | 200 Ų | 200 | 141.8 Ų | 141.8 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | -59.5 | 104.5 | 148.1 | 178.6 | -161.8 | -179.5 | -164.7 | 0 | 107.5 | ||||
| 124 | R | 41.4 | Very low | 44.5 | Very low | 216 Ų | 216 | 140.1 Ų | 140.1 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | trans | -138.9 | 98.7 | 154.6 | -166.8 | -179.9 | -74.8 | -177.2 | -2.8 | 108.4 | Q122 G126 | Q122-R124 PolarHBondContact O-N 3.16Å; R124-G126 PolarHBondContact O-N 2.75Å | ||
| 125 | E | 41.8 | Very low | 46.7 | Very low | 194 Ų | 194 | 140.2 Ų | 140.2 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | -57.4 | 126 | 159.2 | -177 | -153.7 | 175.3 | 0 | 0 | 108.3 | ||||
| 126 | G | 38.4 | Very low | 48.1 | Very low | 55 Ų | 55 | 140.3 Ų | 140.3 | 57% | 0.567 | 75% | 0.753 | S | S | * | * | trans | 177.1 | 109.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | R124 Q128 | R124-G126 PolarHBondContact O-N 2.75Å; G126-Q128 PolarHBondContact O-N 3.48Å | ||
| 127 | G | 53.3 | Low | 49.8 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 94% | 0.938 | 74% | 0.735 | S | S | * | * | trans | -43.9 | 97 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 128 | Q | 41.7 | Very low | 51.2 | Low | 162 Ų | 162 | 129.8 Ų | 129.8 | 76% | 0.757 | 72% | 0.72 | S | S | * | * | trans | -114.1 | 113.6 | 167.7 | -82 | -82.7 | -36.7 | 0 | 0 | 105.2 | G126 N130 | G126-Q128 PolarHBondContact O-N 3.48Å; Q128-N130 PolarHBondContact O-N 3.34Å | ||
| 129 | A | 50.8 | Low | 53.3 | Low | 102 Ų | 102 | 131.6 Ų | 131.6 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | trans | -63.9 | 75.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | L131 | A129-L131 PolarHBondContact O-N 2.86Å; A129-L131 VanDerWaalsContact O-N 3.15Å | ||
| 130 | N | 43.2 | Very low | 54.8 | Low | 89 Ų | 89 | 129.9 Ų | 129.9 | 48% | 0.476 | 71% | 0.714 | S | S | . | * | trans | -84.8 | 91 | 179.3 | -163.8 | -67.1 | 0 | 0 | 0 | 107.2 | Q128 Q132 | Q128-N130 PolarHBondContact O-N 3.34Å; N130-Q132 PolarHBondContact O-N 3.41Å; N130-Q132 VanDerWaalsContact OD1-CA 3.24Å; N130-Q132 WeakPolarHBondContact OD1-CA 3.42Å; N130-Q132 WeakPolarHBondContact OD1-CB 3.29Å; N130-Q132 WeakPolarHBondContact OD1-CG 3.49Å; N130-Q132 PolarHBondContact OD1-N 2.89Å; N130-Q132 PolarHBondContact OD1-O 3.44Å | ||
| 131 | L | 54.7 | Low | 56.6 | Low | 138 Ų | 138 | 128.4 Ų | 128.4 | 72% | 0.723 | 71% | 0.709 | S | S | * | * | trans | -69.5 | 2.7 | 166.8 | -70 | 172.8 | 0 | 0 | 0 | 112.1 | A129 S133 | A129-L131 PolarHBondContact O-N 2.86Å; A129-L131 VanDerWaalsContact O-N 3.15Å; L131-S133 PolarHBondContact O-N 3.18Å | ||
| 132 | Q | 55.4 | Low | 57.3 | Low | 147 Ų | 147 | 125.8 Ų | 125.8 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 124.2 | -175.3 | -40.6 | -164.5 | -72.1 | 0 | 0 | 109.9 | N130 | N130-Q132 PolarHBondContact O-N 3.41Å; N130-Q132 VanDerWaalsContact OD1-CA 3.24Å; N130-Q132 WeakPolarHBondContact OD1-CA 3.42Å; N130-Q132 WeakPolarHBondContact OD1-CB 3.29Å; N130-Q132 WeakPolarHBondContact OD1-CG 3.49Å; N130-Q132 PolarHBondContact OD1-N 2.89Å; N130-Q132 PolarHBondContact OD1-O 3.44Å |
| 133 | S | 53.4 | Low | 57.7 | Low | 113 Ų | 113 | 125.3 Ų | 125.3 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.3 | 39.4 | 163.3 | 76.5 | 0 | 0 | 0 | 0 | 118.4 | L131 S135 | L131-S133 PolarHBondContact O-N 3.18Å; S133-S135 PolarHBondContact O-N 2.8Å |
| 134 | K | 61.2 | Low | 58 | Low | 161 Ų | 161 | 125.1 Ų | 125.1 | 70% | 0.7 | 71% | 0.708 | S | S | * | * | trans | -66.7 | 84.7 | 145.5 | 18.3 | -178.6 | 171.5 | -77.9 | 0 | 107.8 | ||||
| 135 | S | 74.9 | Confident | 58.3 | Low | 71 Ų | 71 | 122.4 Ų | 122.4 | 50% | 0.497 | 71% | 0.705 | S | S | . | * | trans | -56.6 | 142.8 | 173.6 | 176.4 | 0 | 0 | 0 | 0 | 109.4 | S133 A137 A138 | S133-S135 PolarHBondContact O-N 2.8Å; S135-A137 PolarHBondContact O-N 3.5Å; S135-A137 VanDerWaalsContact O-N 3.08Å; S135-A137 PolarHBondContact OG-N 2.72Å; S135-A138 VanDerWaalsContact O-CB 3.28Å; S135-A138 WeakPolarHBondContact O-CB 3.44Å; S135-A138 PolarHBondContact O-N 3.39Å | ||
| 136 | L | 74.4 | Confident | 59 | Low | 133 Ų | 133 | 118.9 Ų | 118.9 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -52.5 | -33.1 | 176 | -142 | 115.5 | 0 | 0 | 0 | 111.4 | A138 L139 F140 | L136-A138 PolarHBondContact O-N 2.91Å; L136-L139 WeakPolarHBondContact O-CB 3.39Å; L136-L139 PolarHBondContact O-N 3.48Å; L136-L139 VanDerWaalsContact O-N 3.14Å; L136-F140 HydrophobicContact CD2-CE2 3.99Å; L136-F140 WeakPolarHBondContact O-CD2 3.07Å |
| 137 | A | 70.2 | Confident | 59.6 | Low | 63 Ų | 63 | 126.9 Ų | 126.9 | 52% | 0.521 | 70% | 0.704 | S | S | . | * | G | 310 helix | trans | -64 | -24 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S135 L139 F140 S141 | S135-A137 PolarHBondContact O-N 3.5Å; S135-A137 VanDerWaalsContact O-N 3.08Å; S135-A137 PolarHBondContact OG-N 2.72Å; A137-L139 PolarHBondContact O-N 2.78Å; A137-F140 PolarHBondContact O-N 3.48Å; A137-F140 VanDerWaalsContact O-N 3.17Å; A137-S141 PolarHBondContact O-N 2.77Å; A137-S141 VanDerWaalsContact O-N 3.14Å |
| 138 | A | 71.6 | Confident | 59.7 | Low | 62 Ų | 62 | 125.9 Ų | 125.9 | 51% | 0.512 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -70.4 | -15.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S135 L136 S141 | S135-A138 VanDerWaalsContact O-CB 3.28Å; S135-A138 WeakPolarHBondContact O-CB 3.44Å; S135-A138 PolarHBondContact O-N 3.39Å; L136-A138 PolarHBondContact O-N 2.91Å; A138-S141 PolarHBondContact O-OG 3.04Å |
| 139 | L | 77.6 | Confident | 60.2 | Low | 141 Ų | 141 | 127 Ų | 127 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -80.2 | -25.1 | 172.7 | -59.1 | 175.1 | 0 | 0 | 0 | 112.3 | L136 A137 | L136-L139 WeakPolarHBondContact O-CB 3.39Å; L136-L139 PolarHBondContact O-N 3.48Å; L136-L139 VanDerWaalsContact O-N 3.14Å; A137-L139 PolarHBondContact O-N 2.78Å |
| 140 | F | 76.6 | Confident | 60.3 | Low | 154 Ų | 154 | 127.9 Ų | 127.9 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -112.1 | 5.6 | -173 | -60 | -77.8 | 0 | 0 | 0 | 113.3 | L136 A137 P142 | L136-F140 HydrophobicContact CD2-CE2 3.99Å; L136-F140 WeakPolarHBondContact O-CD2 3.07Å; A137-F140 PolarHBondContact O-N 3.48Å; A137-F140 VanDerWaalsContact O-N 3.17Å; F140-P142 WeakPolarHBondContact O-CD 3.47Å |
| 141 | S | 72.8 | Confident | 61.2 | Low | 78 Ų | 78 | 128 Ų | 128 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -67.9 | 116.6 | 175.4 | 53.1 | 0 | 0 | 0 | 0 | 109.2 | A137 A138 V143 | A137-S141 PolarHBondContact O-N 2.77Å; A137-S141 VanDerWaalsContact O-N 3.14Å; A138-S141 PolarHBondContact O-OG 3.04Å; S141-V143 PolarHBondContact O-N 3.3Å |
| 142 | P | 58.3 | Low | 61.6 | Low | 115 Ų | 115 | 131.5 Ų | 131.5 | 75% | 0.747 | 71% | 0.706 | S | S | * | * | trans | -64.6 | 110.8 | -178 | -17.8 | 30.6 | 0 | 0 | 0 | 109.1 | F140 K144 | F140-P142 WeakPolarHBondContact O-CD 3.47Å; P142-K144 VanDerWaalsContact C-N 3.25Å; P142-K144 PolarHBondContact O-N 3.31Å | ||
| 143 | V | 54.9 | Low | 62.8 | Low | 146 Ų | 146 | 133 Ų | 133 | 89% | 0.885 | 71% | 0.711 | S | S | * | * | trans | 19.9 | 59.6 | 159.4 | -172.5 | 0 | 0 | 0 | 0 | 114.4 | S141 E145 | S141-V143 PolarHBondContact O-N 3.3Å; V143-E145 VanDerWaalsContact C-N 3.26Å; V143-E145 PolarHBondContact O-N 2.8Å | ||
| 144 | K | 52.1 | Low | 64.3 | Low | 196 Ų | 196 | 131.2 Ų | 131.2 | 85% | 0.852 | 70% | 0.696 | S | S | * | * | trans | -88 | 86.4 | 154.4 | -72.7 | -167.3 | -178.8 | -173.8 | 0 | 105.5 | P142 I146 | P142-K144 VanDerWaalsContact C-N 3.25Å; P142-K144 PolarHBondContact O-N 3.31Å; K144-I146 PolarHBondContact O-N 3.47Å | ||
| 145 | E | 47.8 | Very low | 65.7 | Low | 159 Ų | 159 | 127.3 Ų | 127.3 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | trans | 5.3 | 85.8 | 157.6 | -160.5 | 178.4 | -174 | 0 | 0 | 114.4 | V143 R147 | V143-E145 VanDerWaalsContact C-N 3.26Å; V143-E145 PolarHBondContact O-N 2.8Å; E145-R147 PolarHBondContact O-N 3.38Å | ||
| 146 | I | 56 | Low | 66.5 | Low | 120 Ų | 120 | 127.7 Ų | 127.7 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | trans | -69.5 | 79.2 | 167.6 | 0.5 | 169.9 | 0 | 0 | 0 | 107.3 | K144 G148 K150 | K144-I146 PolarHBondContact O-N 3.47Å; I146-G148 PolarHBondContact O-N 2.83Å; I146-G148 VanDerWaalsContact O-N 3.08Å; I146-K150 WeakPolarHBondContact O-CD 3.38Å; I146-K150 VanDerWaalsContact O-CE 3.26Å; I146-K150 WeakPolarHBondContact O-CE 3.02Å | ||
| 147 | R | 50.4 | Low | 67.3 | Low | 223 Ų | 223 | 131 Ų | 131 | 84% | 0.842 | 69% | 0.685 | S | S | * | * | trans | -75.5 | 81.2 | 161.4 | -173.6 | 171.1 | -175.7 | 178.7 | 0.4 | 107.2 | E145 | E145-R147 PolarHBondContact O-N 3.38Š| ||
| 148 | G | 55 | Low | 68.4 | Low | 70 Ų | 70 | 134.8 Ų | 134.8 | 72% | 0.722 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 177.9 | -41.3 | 172 | 0 | 0 | 0 | 0 | 0 | 117.6 | I146 | I146-G148 PolarHBondContact O-N 2.83Å; I146-G148 VanDerWaalsContact O-N 3.08Å |
| 149 | E | 52.4 | Low | 69.5 | Low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.864 | 69% | 0.691 | S | S | * | * | trans | -152.2 | 48.7 | -172.6 | -155.6 | -173.5 | 169.2 | 0 | 0 | 111.5 | ||||
| 150 | K | 52.5 | Low | 70.3 | Confident | 122 Ų | 122 | 139.9 Ų | 139.9 | 53% | 0.53 | 70% | 0.702 | S | S | . | * | trans | -88.5 | 112.7 | -177.7 | 44.2 | -171 | 161.1 | -170.3 | 0 | 110.3 | I146 K152 | I146-K150 WeakPolarHBondContact O-CD 3.38Å; I146-K150 VanDerWaalsContact O-CE 3.26Å; I146-K150 WeakPolarHBondContact O-CE 3.02Å; K150-K152 PolarHBondContact O-N 2.86Å | ||
| 151 | A | 62.8 | Low | 71.2 | Confident | 91 Ų | 91 | 135.1 Ų | 135.1 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | trans | 16.3 | 78.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K153 | A151-K153 PolarHBondContact O-N 3.33Å; A151-K153 VanDerWaalsContact O-N 3.15Å | ||
| 152 | K | 63.7 | Low | 72.3 | Confident | 211 Ų | 211 | 134.7 Ų | 134.7 | 92% | 0.917 | 68% | 0.679 | S | S | * | * | trans | -67.5 | -4 | 166.6 | -64.6 | -82.9 | -174.8 | 166.2 | 0 | 112.4 | K150 | K150-K152 PolarHBondContact O-N 2.86Š| ||
| 153 | K | 80.4 | Confident | 73.8 | Confident | 179 Ų | 179 | 134.1 Ų | 134.1 | 78% | 0.778 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -89.7 | 127.7 | -178.3 | -64 | -177.5 | -178.5 | 178.7 | 0 | 108.9 | A151 | A151-K153 PolarHBondContact O-N 3.33Å; A151-K153 VanDerWaalsContact O-N 3.15Å |
| 154 | P | 85.1 | Confident | 75.6 | Confident | 75 Ų | 75 | 131.4 Ų | 131.4 | 49% | 0.487 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 143.9 | 173.7 | 23.9 | -31.9 | 0 | 0 | 0 | 109.7 | H158 R159 | P154-H158 HydrophobicContact CB-CB 4.19Å; P154-R159 HydrophobicContact CG-CG 4.24Å |
| 155 | P | 90.5 | Very high | 77.7 | Confident | 79 Ų | 79 | 127.7 Ų | 127.7 | 51% | 0.513 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -47.1 | 148.1 | 170.9 | -28.1 | 33.9 | 0 | 0 | 0 | 111.2 | R157 H158 | P155-R157 PolarHBondContact O-N 2.78Å; P155-H158 WeakPolarHBondContact CD-ND1 3.43Å; P155-H158 PolarHBondContact O-N 3.5Å |
| 156 | M | 91.9 | Very high | 79.9 | Confident | 79 Ų | 79 | 124.3 Ų | 124.3 | 39% | 0.389 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -52.2 | -36.9 | -179.3 | -71.6 | -59 | -68.5 | 0 | 0 | 112.3 | H158 R159 L161 F165 F166 | M156-H158 VanDerWaalsContact C-N 3.25Å; M156-H158 PolarHBondContact O-N 3.31Å; M156-R159 WeakPolarHBondContact O-CB 3.47Å; M156-R159 PolarHBondContact O-N 2.89Å; M156-R159 VanDerWaalsContact O-N 3.15Å; M156-R159 PolarHBondContact SD-NH1 2.81Å; M156-L161 HydrophobicContact CE-CD1 3.51Å; M156-F165 HydrophobicContact CE-CE1 3.84Å; M156-F165 HydrophobicContact CE-CZ 3.83Å; M156-F166 VanDerWaalsContact C-CZ 3.49Å; M156-F166 HydrophobicContact CB-CE1 4.2Å; M156-F166 HydrophobicContact CB-CZ 4.22Å; M156-F166 WeakPolarHBondContact O-CZ 3.22Å |
| 157 | R | 91.4 | Very high | 81.6 | Confident | 202 Ų | 202 | 123 Ų | 123 | 76% | 0.762 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -64.4 | -20.7 | 177.2 | -66.8 | -178.7 | -179.7 | 150.9 | -0.5 | 115.1 | P155 F166 | P155-R157 PolarHBondContact O-N 2.78Å; R157-F166 VanDerWaalsContact CA-CZ 3.47Å; R157-F166 HydrophobicContact CB-CE1 4.33Å; R157-F166 HydrophobicContact CB-CZ 4.26Å; R157-F166 HydrophobicContact CG-CD1 3.83Å; R157-F166 HydrophobicContact CG-CE1 3.48Å; R157-F166 VanDerWaalsContact CG-CE1 3.48Å; R157-F166 HydrophobicContact CG-CZ 3.9Å |
| 158 | H | 92.7 | Very high | 83.5 | Confident | 144 Ų | 144 | 120.2 Ų | 120.2 | 67% | 0.667 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -99.2 | 8.7 | 177.2 | -58.6 | 149 | 0 | 0 | 0 | 112.8 | P154 P155 M156 | P154-H158 HydrophobicContact CB-CB 4.19Å; P155-H158 WeakPolarHBondContact CD-ND1 3.43Å; P155-H158 PolarHBondContact O-N 3.5Å; M156-H158 VanDerWaalsContact C-N 3.25Å; M156-H158 PolarHBondContact O-N 3.31Å |
| 159 | R | 95.3 | Very high | 85.1 | Confident | 130 Ų | 130 | 121.8 Ų | 121.8 | 49% | 0.491 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -92.4 | 155 | 170.9 | -61.9 | 173.4 | 64.7 | -171.6 | -4 | 108.4 | P154 M156 L161 | P154-R159 HydrophobicContact CG-CG 4.24Å; M156-R159 WeakPolarHBondContact O-CB 3.47Å; M156-R159 PolarHBondContact O-N 2.89Å; M156-R159 VanDerWaalsContact O-N 3.15Å; M156-R159 PolarHBondContact SD-NH1 2.81Å; R159-L161 HydrophobicContact CB-CD1 4.25Å; R159-L161 HydrophobicContact CB-CG 4.17Å; R159-L161 PolarHBondContact O-N 3.47Å |
| 160 | N | 94.4 | Very high | 86.1 | Confident | 179 Ų | 179 | 117.5 Ų | 117.5 | 96% | 0.957 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -71.2 | 72.5 | 175 | -63.2 | -47.4 | 0 | 0 | 0 | 110.6 | ||
| 161 | L | 95.4 | Very high | 86.6 | Confident | 54 Ų | 54 | 118.8 Ų | 118.8 | 28% | 0.283 | 63% | 0.63 | S | S | . | * | trans | -110.4 | 148.1 | 176.2 | -68.2 | 172.9 | 0 | 0 | 0 | 109.1 | M156 R159 F165 F166 | M156-L161 HydrophobicContact CE-CD1 3.51Å; R159-L161 HydrophobicContact CB-CD1 4.25Å; R159-L161 HydrophobicContact CB-CG 4.17Å; R159-L161 PolarHBondContact O-N 3.47Å; L161-F165 HydrophobicContact CB-CB 4.21Å; L161-F165 HydrophobicContact CB-CG 4.37Å; L161-F165 HydrophobicContact CD1-CD1 3.81Å; L161-F165 HydrophobicContact CD1-CD2 4.46Å; L161-F165 HydrophobicContact CD1-CE1 3.94Å; L161-F165 HydrophobicContact CD1-CG 4.09Å; L161-F165 HydrophobicContact CD1-CZ 4.32Å; L161-F166 HydrophobicContact CB-CE2 4.05Å; L161-F166 HydrophobicContact CD1-CE2 4.44Å; L161-F166 HydrophobicContact CD1-CZ 4.09Å | ||
| 162 | P | 95.7 | Very high | 86.1 | Confident | 70 Ų | 70 | 119.9 Ų | 119.9 | 46% | 0.455 | 63% | 0.631 | S | S | . | * | trans | -63.4 | 150.9 | 177.7 | 27.8 | -34.6 | 0 | 0 | 0 | 110.5 | S164 F165 | P162-S164 PolarHBondContact O-N 3.42Å; P162-S164 VanDerWaalsContact O-N 3.12Å; P162-F165 HydrophobicContact CG-CB 4.42Å; P162-F165 VanDerWaalsContact O-CB 3.28Å; P162-F165 WeakPolarHBondContact O-CB 3.35Å; P162-F165 PolarHBondContact O-N 2.85Å | ||
| 163 | P | 90 | Very high | 85.6 | Confident | 103 Ų | 103 | 115 Ų | 115 | 67% | 0.669 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -53.9 | -32.8 | 176 | -27 | 35 | 0 | 0 | 0 | 113.2 | F165 F166 T167 | P163-F165 PolarHBondContact O-N 3.24Å; P163-F165 VanDerWaalsContact O-N 3.17Å; P163-F166 PolarHBondContact O-N 3.02Å; P163-T167 PolarHBondContact O-N 2.89Å; P163-T167 PolarHBondContact O-OG1 2.93Å; P163-T167 VanDerWaalsContact O-OG1 3.12Å |
| 164 | S | 92.7 | Very high | 84.3 | Confident | 88 Ų | 88 | 117 Ų | 117 | 62% | 0.615 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -60.5 | -21.3 | 175.9 | 57.8 | 0 | 0 | 0 | 0 | 114.7 | P162 F166 | P162-S164 PolarHBondContact O-N 3.42Å; P162-S164 VanDerWaalsContact O-N 3.12Å; S164-F166 PolarHBondContact O-N 3.4Å |
| 165 | F | 95.8 | Very high | 82.5 | Confident | 119 Ų | 119 | 119.7 Ų | 119.7 | 52% | 0.522 | 64% | 0.641 | S | S | . | * | G | 310 helix | trans | -66.8 | -23.5 | 173.4 | -167.3 | -88.2 | 0 | 0 | 0 | 112 | M156 L161 P162 P163 | M156-F165 HydrophobicContact CE-CE1 3.84Å; M156-F165 HydrophobicContact CE-CZ 3.83Å; L161-F165 HydrophobicContact CB-CB 4.21Å; L161-F165 HydrophobicContact CB-CG 4.37Å; L161-F165 HydrophobicContact CD1-CD1 3.81Å; L161-F165 HydrophobicContact CD1-CD2 4.46Å; L161-F165 HydrophobicContact CD1-CE1 3.94Å; L161-F165 HydrophobicContact CD1-CG 4.09Å; L161-F165 HydrophobicContact CD1-CZ 4.32Å; P162-F165 HydrophobicContact CG-CB 4.42Å; P162-F165 VanDerWaalsContact O-CB 3.28Å; P162-F165 WeakPolarHBondContact O-CB 3.35Å; P162-F165 PolarHBondContact O-N 2.85Å; P163-F165 PolarHBondContact O-N 3.24Å; P163-F165 VanDerWaalsContact O-N 3.17Å |
| 166 | F | 93.8 | Very high | 80.6 | Confident | 88 Ų | 88 | 119.9 Ų | 119.9 | 39% | 0.386 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.2 | -13.6 | -178.7 | -58.9 | -71.2 | 0 | 0 | 0 | 113.7 | M156 R157 L161 P163 S164 | M156-F166 VanDerWaalsContact C-CZ 3.49Å; M156-F166 HydrophobicContact CB-CE1 4.2Å; M156-F166 HydrophobicContact CB-CZ 4.22Å; M156-F166 WeakPolarHBondContact O-CZ 3.22Å; R157-F166 VanDerWaalsContact CA-CZ 3.47Å; R157-F166 HydrophobicContact CB-CE1 4.33Å; R157-F166 HydrophobicContact CB-CZ 4.26Å; R157-F166 HydrophobicContact CG-CD1 3.83Å; R157-F166 HydrophobicContact CG-CE1 3.48Å; R157-F166 VanDerWaalsContact CG-CE1 3.48Å; R157-F166 HydrophobicContact CG-CZ 3.9Å; L161-F166 HydrophobicContact CB-CE2 4.05Å; L161-F166 HydrophobicContact CD1-CE2 4.44Å; L161-F166 HydrophobicContact CD1-CZ 4.09Å; P163-F166 PolarHBondContact O-N 3.02Å; S164-F166 PolarHBondContact O-N 3.4Å |
| 167 | T | 91.6 | Very high | 78.5 | Confident | 93 Ų | 93 | 121.3 Ų | 121.3 | 57% | 0.571 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -97.2 | 119.2 | 178.1 | -53.1 | 0 | 0 | 0 | 0 | 109.3 | P163 | P163-T167 PolarHBondContact O-N 2.89Å; P163-T167 PolarHBondContact O-OG1 2.93Å; P163-T167 VanDerWaalsContact O-OG1 3.12Å |
| 168 | E | 90 | Very high | 76.7 | Confident | 163 Ų | 163 | 117.6 Ų | 117.6 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 137.7 | 171.2 | -172.6 | 173.2 | -179.9 | 0 | 0 | 110.2 | A170 | E168-A170 PolarHBondContact O-N 3.05Š|
| 169 | P | 88.4 | Confident | 74.7 | Confident | 104 Ų | 104 | 116.5 Ų | 116.5 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 120.7 | 176.3 | -24 | 34.1 | 0 | 0 | 0 | 111.4 | N171 | P169-N171 PolarHBondContact O-N 2.68Š|
| 170 | A | 74.8 | Confident | 73 | Confident | 95 Ų | 95 | 113.3 Ų | 113.3 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 0.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E168 | E168-A170 PolarHBondContact O-N 3.05Š|
| 171 | N | 62.8 | Low | 71.1 | Confident | 149 Ų | 149 | 111.5 Ų | 111.5 | 80% | 0.797 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.8 | 53.6 | -173.7 | -55.1 | -55.9 | 0 | 0 | 0 | 111.9 | P169 S173 | P169-N171 PolarHBondContact O-N 2.68Å; N171-S173 VanDerWaalsContact C-N 3.25Å; N171-S173 PolarHBondContact O-N 3.43Å; N171-S173 VanDerWaalsContact O-N 3.14Å |
| 172 | C | 51.5 | Low | 69.4 | Low | 114 Ų | 114 | 112.8 Ų | 112.8 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | trans | -68.9 | 97.7 | 143.5 | -81.4 | 0 | 0 | 0 | 0 | 106.1 | R174 | C172-R174 VanDerWaalsContact C-N 3.31Å; C172-R174 PolarHBondContact O-N 3.5Å | ||
| 173 | S | 53.6 | Low | 67.5 | Low | 109 Ų | 109 | 116.8 Ų | 116.8 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | trans | -53.7 | 95.8 | 171.9 | 174.5 | 0 | 0 | 0 | 0 | 109.6 | N171 V175 | N171-S173 VanDerWaalsContact C-N 3.25Å; N171-S173 PolarHBondContact O-N 3.43Å; N171-S173 VanDerWaalsContact O-N 3.14Å; S173-V175 PolarHBondContact O-N 2.7Å | ||
| 174 | R | 53.7 | Low | 66.1 | Low | 219 Ų | 219 | 118.7 Ų | 118.7 | 83% | 0.826 | 69% | 0.69 | S | S | * | * | trans | 37.5 | 59.5 | 149.1 | -55.1 | -85.1 | -85.3 | -169.7 | -4.9 | 115 | C172 S176 | C172-R174 VanDerWaalsContact C-N 3.31Å; C172-R174 PolarHBondContact O-N 3.5Å; R174-S176 VanDerWaalsContact C-N 3.28Å; R174-S176 PolarHBondContact O-N 3.33Å | ||
| 175 | V | 47 | Very low | 64.5 | Low | 132 Ų | 132 | 118.5 Ų | 118.5 | 80% | 0.8 | 68% | 0.682 | S | S | * | * | trans | -77.2 | 96.4 | 141.3 | 178.4 | 0 | 0 | 0 | 0 | 104.3 | S173 S177 | S173-V175 PolarHBondContact O-N 2.7Å; V175-S177 VanDerWaalsContact C-N 3.33Å; V175-S177 PolarHBondContact O-N 2.79Å | ||
| 176 | S | 49.6 | Very low | 62.7 | Low | 83 Ų | 83 | 116.8 Ų | 116.8 | 58% | 0.58 | 68% | 0.678 | S | S | * | * | trans | -53.4 | 105.4 | 166.7 | -95.2 | 0 | 0 | 0 | 0 | 107.2 | R174 T178 | R174-S176 VanDerWaalsContact C-N 3.28Å; R174-S176 PolarHBondContact O-N 3.33Å; S176-T178 VanDerWaalsContact C-N 3.26Å; S176-T178 PolarHBondContact O-N 3.32Å | ||
| 177 | S | 48.8 | Very low | 61 | Low | 109 Ų | 109 | 119.5 Ų | 119.5 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | trans | -62.1 | 97.4 | 160 | -70.2 | 0 | 0 | 0 | 0 | 106.1 | V175 S179 | V175-S177 VanDerWaalsContact C-N 3.33Å; V175-S177 PolarHBondContact O-N 2.79Å; S177-S179 PolarHBondContact O-N 3.36Å | ||
| 178 | T | 54 | Low | 59.4 | Low | 125 Ų | 125 | 125.6 Ų | 125.6 | 77% | 0.767 | 70% | 0.704 | S | S | * | * | trans | -75.2 | 53.9 | 168.8 | 53.7 | 0 | 0 | 0 | 0 | 109.4 | S176 G180 | S176-T178 VanDerWaalsContact C-N 3.26Å; S176-T178 PolarHBondContact O-N 3.32Å; T178-G180 PolarHBondContact O-N 3.16Å | ||
| 179 | S | 50.7 | Low | 57.8 | Low | 120 Ų | 120 | 121.1 Ų | 121.1 | 84% | 0.839 | 70% | 0.702 | S | S | * | * | trans | -91.6 | 89.6 | 164.4 | -169.7 | 0 | 0 | 0 | 0 | 106.6 | S177 | S177-S179 PolarHBondContact O-N 3.36Š| ||
| 180 | G | 59.6 | Low | 56.3 | Low | 63 Ų | 63 | 119.5 Ų | 119.5 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | trans | 144.2 | 2.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | T178 T182 | T178-G180 PolarHBondContact O-N 3.16Å; G180-T182 PolarHBondContact O-N 3.1Å | ||
| 181 | M | 53.1 | Low | 55.6 | Low | 142 Ų | 142 | 119.3 Ų | 119.3 | 70% | 0.7 | 68% | 0.679 | S | S | * | * | trans | -79.8 | 115.1 | 173.4 | -65.3 | -144.9 | 75.8 | 0 | 0 | 110.1 | D185 | M181-D185 HydrophobicContact CE-CB 4.12Š| ||
| 182 | T | 60.6 | Low | 55.5 | Low | 81 Ų | 81 | 118.7 Ų | 118.7 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | trans | -83.3 | 148.3 | 175.5 | 73.7 | 0 | 0 | 0 | 0 | 109.4 | G180 K184 D185 | G180-T182 PolarHBondContact O-N 3.1Å; T182-K184 PolarHBondContact O-N 3.07Å; T182-D185 PolarHBondContact N-OD2 3.06Å; T182-D185 PolarHBondContact O-N 3.22Å; T182-D185 PolarHBondContact OG1-OD2 3.4Å | ||
| 183 | L | 56.3 | Low | 56 | Low | 153 Ų | 153 | 114.1 Ų | 114.1 | 80% | 0.801 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -48.9 | -28.2 | 177.9 | -169.5 | 82.2 | 0 | 0 | 0 | 113 | D185 L186 | L183-D185 VanDerWaalsContact C-N 3.35Å; L183-L186 PolarHBondContact O-N 3.2Å |
| 184 | K | 59.3 | Low | 56.4 | Low | 144 Ų | 144 | 111.7 Ų | 111.7 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.2 | -15.1 | -176.8 | -48.1 | -158 | 77.7 | -172.8 | 0 | 114.4 | T182 E187 | T182-K184 PolarHBondContact O-N 3.07Å; K184-E187 WeakPolarHBondContact CA-OE1 3.49Å; K184-E187 WeakPolarHBondContact CB-OE1 3.11Å; K184-E187 WeakPolarHBondContact O-CG 3.16Å |
| 185 | D | 59.2 | Low | 57 | Low | 83 Ų | 83 | 105.6 Ų | 105.6 | 44% | 0.444 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -86.4 | -17.6 | 176.5 | -60.3 | -51.7 | 0 | 0 | 0 | 111.6 | M181 T182 L183 | M181-D185 HydrophobicContact CE-CB 4.12Å; T182-D185 PolarHBondContact N-OD2 3.06Å; T182-D185 PolarHBondContact O-N 3.22Å; T182-D185 PolarHBondContact OG1-OD2 3.4Å; L183-D185 VanDerWaalsContact C-N 3.35Å |
| 186 | L | 59.3 | Low | 58.1 | Low | 84 Ų | 84 | 105.2 Ų | 105.2 | 44% | 0.44 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -82.4 | -32.3 | -179.4 | -162.6 | 60.8 | 0 | 0 | 0 | 112.6 | L183 R188 A193 F197 | L183-L186 PolarHBondContact O-N 3.2Å; L186-R188 PolarHBondContact O-N 3.19Å; L186-A193 HydrophobicContact CD1-CB 3.62Å; L186-F197 HydrophobicContact CD1-CE2 4.03Å; L186-F197 HydrophobicContact CD2-CE2 4.36Å; L186-F197 HydrophobicContact CD2-CZ 4.07Å; L186-F197 HydrophobicContact CG-CE2 4.44Å |
| 187 | E | 57.5 | Low | 59 | Low | 145 Ų | 145 | 104.6 Ų | 104.6 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -67 | -11.9 | 175.3 | 56.2 | -179.4 | 175.6 | 0 | 0 | 113.3 | K184 | K184-E187 WeakPolarHBondContact CA-OE1 3.49Å; K184-E187 WeakPolarHBondContact CB-OE1 3.11Å; K184-E187 WeakPolarHBondContact O-CG 3.16Å |
| 188 | R | 57.6 | Low | 60.1 | Low | 220 Ų | 220 | 107 Ų | 107 | 83% | 0.83 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -103.7 | 43.7 | -175.2 | -138.1 | 173.8 | -150.7 | -94 | 0.2 | 112.7 | L186 N190 | L186-R188 PolarHBondContact O-N 3.19Å; R188-N190 VanDerWaalsContact C-N 3.34Å; R188-N190 PolarHBondContact O-N 3.44Å |
| 189 | G | 56 | Low | 61.2 | Low | 70 Ų | 70 | 108.1 Ų | 108.1 | 72% | 0.722 | 59% | 0.586 | S | S | * | * | trans | 43.5 | 52.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 190 | N | 56.5 | Low | 62.4 | Low | 70 Ų | 70 | 105.7 Ų | 105.7 | 37% | 0.374 | 56% | 0.564 | S | S | . | * | trans | -78.7 | 122.4 | 171.9 | -174.7 | -9.2 | 0 | 0 | 0 | 108.4 | R188 E192 A193 | R188-N190 VanDerWaalsContact C-N 3.34Å; R188-N190 PolarHBondContact O-N 3.44Å; N190-E192 PolarHBondContact O-N 2.97Å; N190-E192 PolarHBondContact OD1-N 2.94Å; N190-A193 HydrophobicContact CB-CB 4.39Å; N190-A193 WeakPolarHBondContact O-CB 3.3Å; N190-A193 PolarHBondContact O-N 3.14Å | ||
| 191 | P | 62.1 | Low | 62.6 | Low | 91 Ų | 91 | 103.8 Ų | 103.8 | 59% | 0.591 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -57.1 | -31.8 | 179.5 | 22.9 | -34.3 | 0 | 0 | 0 | 112.8 | A193 A194 D195 | P191-A193 PolarHBondContact O-N 3.27Å; P191-A194 WeakPolarHBondContact O-CB 3.28Å; P191-A194 PolarHBondContact O-N 2.99Å; P191-A194 VanDerWaalsContact O-N 3.14Å; P191-D195 PolarHBondContact O-N 3.46Å |
| 192 | E | 60.2 | Low | 63.3 | Low | 135 Ų | 135 | 101.9 Ų | 101.9 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.8 | -22 | 178 | -60.3 | -68.6 | 150.2 | 0 | 0 | 113.1 | N190 F196 | N190-E192 PolarHBondContact O-N 2.97Å; N190-E192 PolarHBondContact OD1-N 2.94Å; E192-F196 PolarHBondContact O-N 3.08Å |
| 193 | A | 61.2 | Low | 63.4 | Low | 18 Ų | 18 | 104.3 Ų | 104.3 | 15% | 0.149 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -77.6 | -32.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | L186 N190 P191 D195 F196 F197 | L186-A193 HydrophobicContact CD1-CB 3.62Å; N190-A193 HydrophobicContact CB-CB 4.39Å; N190-A193 WeakPolarHBondContact O-CB 3.3Å; N190-A193 PolarHBondContact O-N 3.14Å; P191-A193 PolarHBondContact O-N 3.27Å; A193-D195 VanDerWaalsContact C-N 3.33Å; A193-F196 WeakPolarHBondContact O-CB 3.48Å; A193-F196 PolarHBondContact O-N 3.18Å; A193-F197 WeakPolarHBondContact O-CD2 3.46Å; A193-F197 PolarHBondContact O-N 3.23Å; A193-F197 VanDerWaalsContact O-N 3.08Å |
| 194 | A | 62.5 | Low | 63.8 | Low | 58 Ų | 58 | 102.3 Ų | 102.3 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P191 F196 F197 E198 | P191-A194 WeakPolarHBondContact O-CB 3.28Å; P191-A194 PolarHBondContact O-N 2.99Å; P191-A194 VanDerWaalsContact O-N 3.14Å; A194-F196 VanDerWaalsContact C-N 3.29Å; A194-F196 PolarHBondContact O-N 3.31Å; A194-F197 PolarHBondContact O-N 3.33Å; A194-E198 PolarHBondContact O-N 3.37Å |
| 195 | D | 66.5 | Low | 63.9 | Low | 92 Ų | 92 | 98.9 Ų | 98.9 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -33.7 | 176.2 | -62.6 | -17.6 | 0 | 0 | 0 | 112 | P191 A193 E198 L199 | P191-D195 PolarHBondContact O-N 3.46Å; A193-D195 VanDerWaalsContact C-N 3.33Å; D195-E198 PolarHBondContact O-N 3.39Å; D195-L199 WeakPolarHBondContact O-CB 3.46Å; D195-L199 PolarHBondContact O-N 3.24Å |
| 196 | F | 69.9 | Low | 64.2 | Low | 124 Ų | 124 | 100 Ų | 100 | 54% | 0.544 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 174 | -177.3 | -101.1 | 0 | 0 | 0 | 112 | E192 A193 A194 L200 | E192-F196 PolarHBondContact O-N 3.08Å; A193-F196 WeakPolarHBondContact O-CB 3.48Å; A193-F196 PolarHBondContact O-N 3.18Å; A194-F196 VanDerWaalsContact C-N 3.29Å; A194-F196 PolarHBondContact O-N 3.31Å; F196-L200 HydrophobicContact CD1-CD1 3.96Å; F196-L200 HydrophobicContact CE1-CD1 3.56Å; F196-L200 HydrophobicContact CE1-CG 4.36Å; F196-L200 HydrophobicContact CZ-CD1 4.1Å; F196-L200 WeakPolarHBondContact O-CG 3.23Å; F196-L200 PolarHBondContact O-N 3.06Å |
| 197 | F | 67.6 | Low | 64.5 | Low | 70 Ų | 70 | 101.6 Ų | 101.6 | 31% | 0.307 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.3 | -33.3 | 176.7 | -74.7 | -70.5 | 0 | 0 | 0 | 112.9 | L186 A193 A194 L200 V208 | L186-F197 HydrophobicContact CD1-CE2 4.03Å; L186-F197 HydrophobicContact CD2-CE2 4.36Å; L186-F197 HydrophobicContact CD2-CZ 4.07Å; L186-F197 HydrophobicContact CG-CE2 4.44Å; A193-F197 WeakPolarHBondContact O-CD2 3.46Å; A193-F197 PolarHBondContact O-N 3.23Å; A193-F197 VanDerWaalsContact O-N 3.08Å; A194-F197 PolarHBondContact O-N 3.33Å; F197-L200 HydrophobicContact CD1-CD1 4.44Å; F197-L200 PolarHBondContact O-N 3.48Å; F197-V208 HydrophobicContact CE1-CG2 4.31Å |
| 198 | E | 72.8 | Confident | 64.8 | Low | 158 Ų | 158 | 97.6 Ų | 97.6 | 74% | 0.738 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.5 | -39.4 | 174.4 | -170.1 | 171.8 | 174.1 | 0 | 0 | 111.7 | A194 D195 L200 G201 | A194-E198 PolarHBondContact O-N 3.37Å; D195-E198 PolarHBondContact O-N 3.39Å; E198-L200 VanDerWaalsContact C-N 3.32Å; E198-L200 PolarHBondContact O-N 3.25Å; E198-G201 PolarHBondContact O-N 2.69Å; E198-G201 VanDerWaalsContact O-N 3.13Å |
| 199 | L | 77.8 | Confident | 64.9 | Low | 150 Ų | 150 | 91.7 Ų | 91.7 | 79% | 0.785 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.8 | -31.3 | 177 | -176.2 | 62.8 | 0 | 0 | 0 | 113.4 | D195 G201 | D195-L199 WeakPolarHBondContact O-CB 3.46Å; D195-L199 PolarHBondContact O-N 3.24Å; L199-G201 PolarHBondContact O-N 3.31Å |
| 200 | L | 74.4 | Confident | 65 | Low | 69 Ų | 69 | 94.8 Ų | 94.8 | 36% | 0.361 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -8 | 176.6 | -69 | 173.3 | 0 | 0 | 0 | 113.1 | F196 F197 E198 Y204 | F196-L200 HydrophobicContact CD1-CD1 3.96Å; F196-L200 HydrophobicContact CE1-CD1 3.56Å; F196-L200 HydrophobicContact CE1-CG 4.36Å; F196-L200 HydrophobicContact CZ-CD1 4.1Å; F196-L200 WeakPolarHBondContact O-CG 3.23Å; F196-L200 PolarHBondContact O-N 3.06Å; F197-L200 HydrophobicContact CD1-CD1 4.44Å; F197-L200 PolarHBondContact O-N 3.48Å; E198-L200 VanDerWaalsContact C-N 3.32Å; E198-L200 PolarHBondContact O-N 3.25Å; L200-Y204 HydrophobicContact CB-CD1 4.5Å; L200-Y204 HydrophobicContact CB-CD2 4.41Å; L200-Y204 HydrophobicContact CB-CG 3.97Å; L200-Y204 HydrophobicContact CD1-CD1 3.78Å; L200-Y204 HydrophobicContact CD1-CD2 4.39Å; L200-Y204 HydrophobicContact CD1-CE1 4Å; L200-Y204 HydrophobicContact CD1-CG 3.98Å |
| 201 | G | 64.6 | Low | 65 | Low | 22 Ų | 22 | 98.4 Ų | 98.4 | 23% | 0.227 | 52% | 0.522 | C | S | . | . | trans | 79 | 164.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E198 L199 D203 Y204 | E198-G201 PolarHBondContact O-N 2.69Å; E198-G201 VanDerWaalsContact O-N 3.13Å; L199-G201 PolarHBondContact O-N 3.31Å; G201-D203 PolarHBondContact O-N 2.73Å; G201-D203 VanDerWaalsContact O-N 3.07Å; G201-Y204 PolarHBondContact O-N 3.23Å; G201-Y204 VanDerWaalsContact O-N 3.1Å | ||
| 202 | P | 67.3 | Low | 64.6 | Low | 102 Ų | 102 | 98.7 Ų | 98.7 | 66% | 0.662 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60 | -23.4 | -175 | 7.7 | -12.6 | 0 | 0 | 0 | 113.9 | Y204 S205 N206 | P202-Y204 VanDerWaalsContact C-N 3.27Å; P202-Y204 PolarHBondContact O-N 3.17Å; P202-S205 PolarHBondContact O-N 2.89Å; P202-N206 PolarHBondContact O-N 2.9Å; P202-N206 PolarHBondContact O-ND2 3.02Å |
| 203 | D | 63.3 | Low | 64.1 | Low | 133 Ų | 133 | 98 Ų | 98 | 71% | 0.711 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -32.6 | 178.4 | -61.5 | -34.3 | 0 | 0 | 0 | 112.3 | G201 | G201-D203 PolarHBondContact O-N 2.73Å; G201-D203 VanDerWaalsContact O-N 3.07Å |
| 204 | Y | 63.9 | Low | 63.5 | Low | 110 Ų | 110 | 106.9 Ų | 106.9 | 43% | 0.431 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -79.5 | -33.1 | 179.8 | -144.6 | -89 | 0 | 0 | 0 | 112.4 | L200 G201 P202 N206 M207 V208 | L200-Y204 HydrophobicContact CB-CD1 4.5Å; L200-Y204 HydrophobicContact CB-CD2 4.41Å; L200-Y204 HydrophobicContact CB-CG 3.97Å; L200-Y204 HydrophobicContact CD1-CD1 3.78Å; L200-Y204 HydrophobicContact CD1-CD2 4.39Å; L200-Y204 HydrophobicContact CD1-CE1 4Å; L200-Y204 HydrophobicContact CD1-CG 3.98Å; G201-Y204 PolarHBondContact O-N 3.23Å; G201-Y204 VanDerWaalsContact O-N 3.1Å; P202-Y204 VanDerWaalsContact C-N 3.27Å; P202-Y204 PolarHBondContact O-N 3.17Å; Y204-N206 VanDerWaalsContact C-N 3.26Å; Y204-N206 PolarHBondContact O-N 3.19Å; Y204-M207 PolarHBondContact O-N 3.48Å; Y204-V208 HydrophobicContact CD1-CG2 4.36Å; Y204-V208 PolarHBondContact O-N 3.47Å |
| 205 | S | 62.4 | Low | 63 | Low | 72 Ų | 72 | 112.2 Ų | 112.2 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.9 | -32.9 | 177.5 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | P202 N209 | P202-S205 PolarHBondContact O-N 2.89Å; S205-N209 WeakPolarHBondContact O-CB 3.28Å; S205-N209 PolarHBondContact O-N 3.26Å |
| 206 | N | 64.3 | Low | 61.8 | Low | 106 Ų | 106 | 110.5 Ų | 110.5 | 57% | 0.567 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.1 | -37.3 | 177.5 | -76.7 | -42.3 | 0 | 0 | 0 | 112.4 | P202 Y204 N209 E210 | P202-N206 PolarHBondContact O-N 2.9Å; P202-N206 PolarHBondContact O-ND2 3.02Å; Y204-N206 VanDerWaalsContact C-N 3.26Å; Y204-N206 PolarHBondContact O-N 3.19Å; N206-N209 PolarHBondContact O-N 3.13Å; N206-E210 PolarHBondContact O-N 2.87Å; N206-E210 VanDerWaalsContact O-N 3.15Å |
| 207 | M | 65.8 | Low | 60.2 | Low | 119 Ų | 119 | 110.7 Ų | 110.7 | 59% | 0.586 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.2 | -33.2 | -179.8 | -68 | -177.8 | 57.2 | 0 | 0 | 113.3 | Y204 | Y204-M207 PolarHBondContact O-N 3.48Å |
| 208 | V | 64 | Low | 58.7 | Low | 60 Ų | 60 | 112.8 Ų | 112.8 | 36% | 0.364 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -73.6 | -41 | 176.8 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | F197 Y204 E210 Q211 D212 | F197-V208 HydrophobicContact CE1-CG2 4.31Å; Y204-V208 HydrophobicContact CD1-CG2 4.36Å; Y204-V208 PolarHBondContact O-N 3.47Å; V208-E210 VanDerWaalsContact C-N 3.31Å; V208-E210 PolarHBondContact O-N 2.97Å; V208-Q211 WeakPolarHBondContact O-CB 3.46Å; V208-Q211 PolarHBondContact O-N 3.17Å; V208-D212 PolarHBondContact O-N 3.05Å |
| 209 | N | 60.9 | Low | 57.4 | Low | 97 Ų | 97 | 113.9 Ų | 113.9 | 52% | 0.519 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.3 | -31.9 | -179.8 | -149.6 | 5.6 | 0 | 0 | 0 | 112.4 | S205 N206 Q211 D212 I213 | S205-N209 WeakPolarHBondContact O-CB 3.28Å; S205-N209 PolarHBondContact O-N 3.26Å; N206-N209 PolarHBondContact O-N 3.13Å; N209-Q211 VanDerWaalsContact C-N 3.28Å; N209-Q211 PolarHBondContact O-N 3.41Å; N209-D212 PolarHBondContact O-N 3.44Å; N209-I213 PolarHBondContact O-N 3Å |
| 210 | E | 57.8 | Low | 55.6 | Low | 134 Ų | 134 | 118.6 Ų | 118.6 | 63% | 0.626 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.4 | -28.8 | 171.1 | -75.6 | -163.6 | 143.4 | 0 | 0 | 113.1 | N206 V208 Y214 | N206-E210 PolarHBondContact O-N 2.87Å; N206-E210 VanDerWaalsContact O-N 3.15Å; V208-E210 VanDerWaalsContact C-N 3.31Å; V208-E210 PolarHBondContact O-N 2.97Å; E210-Y214 VanDerWaalsContact O-CD2 3.31Å; E210-Y214 WeakPolarHBondContact O-CD2 3.47Å |
| 211 | Q | 55.2 | Low | 53.5 | Low | 147 Ų | 147 | 118.8 Ų | 118.8 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74 | -32.2 | 176.7 | -72.1 | -163.5 | 1.7 | 0 | 0 | 113.3 | V208 N209 I213 Y214 | V208-Q211 WeakPolarHBondContact O-CB 3.46Å; V208-Q211 PolarHBondContact O-N 3.17Å; N209-Q211 VanDerWaalsContact C-N 3.28Å; N209-Q211 PolarHBondContact O-N 3.41Å; Q211-I213 VanDerWaalsContact C-N 3.29Å; Q211-I213 PolarHBondContact O-N 3.47Å; Q211-Y214 PolarHBondContact O-N 3.38Å |
| 212 | D | 54.5 | Low | 52.1 | Low | 96 Ų | 96 | 125.4 Ų | 125.4 | 51% | 0.513 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -70.6 | -25.9 | 176.7 | -82.3 | -48.8 | 0 | 0 | 0 | 112.6 | V208 N209 Y214 Q215 G216 | V208-D212 PolarHBondContact O-N 3.05Å; N209-D212 PolarHBondContact O-N 3.44Å; D212-Y214 PolarHBondContact O-N 3.07Å; D212-Q215 PolarHBondContact O-N 3.1Å; D212-Q215 VanDerWaalsContact O-N 3.15Å; D212-G216 PolarHBondContact O-N 3.21Å |
| 213 | I | 50 | Low | 51 | Low | 120 Ų | 120 | 126.2 Ų | 126.2 | 62% | 0.615 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -65.8 | -27.3 | 174.4 | -74.2 | 157.1 | 0 | 0 | 0 | 112 | N209 Q211 | N209-I213 PolarHBondContact O-N 3Å; Q211-I213 VanDerWaalsContact C-N 3.29Å; Q211-I213 PolarHBondContact O-N 3.47Å |
| 214 | Y | 48.6 | Very low | 49.5 | Very low | 206 Ų | 206 | 126.2 Ų | 126.2 | 81% | 0.808 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -15.6 | 174.9 | -75.4 | -81.1 | 0 | 0 | 0 | 113.9 | E210 Q211 D212 | E210-Y214 VanDerWaalsContact O-CD2 3.31Å; E210-Y214 WeakPolarHBondContact O-CD2 3.47Å; Q211-Y214 PolarHBondContact O-N 3.38Å; D212-Y214 PolarHBondContact O-N 3.07Å |
| 215 | Q | 51.3 | Low | 48.3 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 79% | 0.794 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -10 | 175.6 | -81.4 | -171 | 44.5 | 0 | 0 | 114 | D212 | D212-Q215 PolarHBondContact O-N 3.1Å; D212-Q215 VanDerWaalsContact O-N 3.15Å |
| 216 | G | 41.4 | Very low | 46.8 | Very low | 56 Ų | 56 | 128.7 Ų | 128.7 | 58% | 0.577 | 70% | 0.697 | S | S | * | * | trans | -98.5 | 30.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | D212 P218 | D212-G216 PolarHBondContact O-N 3.21Å; G216-P218 VanDerWaalsContact O-CD 3.31Å; G216-P218 WeakPolarHBondContact O-CD 3.31Å | ||
| 217 | V | 36 | Very low | 45.5 | Very low | 128 Ų | 128 | 127 Ų | 127 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | -91 | 108 | 170.6 | -168.4 | 0 | 0 | 0 | 0 | 109.4 | L219 | V217-L219 PolarHBondContact O-N 3.02Š| ||
| 218 | P | 37.6 | Very low | 44.2 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | trans | -79.1 | 119.4 | 178.3 | 25.7 | -18.2 | 0 | 0 | 0 | 110 | G216 R220 | G216-P218 VanDerWaalsContact O-CD 3.31Å; G216-P218 WeakPolarHBondContact O-CD 3.31Å; P218-R220 PolarHBondContact O-N 3.44Å | ||
| 219 | L | 45.2 | Very low | 42.8 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 95% | 0.953 | 75% | 0.746 | S | S | * | * | trans | -55.9 | 100.9 | 164.5 | -179 | 70.9 | 0 | 0 | 0 | 110.2 | V217 | V217-L219 PolarHBondContact O-N 3.02Š| ||
| 220 | R | 38.8 | Very low | 42.1 | Very low | 248 Ų | 248 | 135.5 Ų | 135.5 | 94% | 0.936 | 76% | 0.757 | S | S | * | * | trans | -152.6 | 116.3 | 163.5 | -152.8 | -158.7 | -167.5 | -126.3 | 4.8 | 112.9 | P218 | P218-R220 PolarHBondContact O-N 3.44Š| ||
| 221 | G | 31.2 | Very low | 41.2 | Very low | 73 Ų | 73 | 133.6 Ų | 133.6 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | 129.6 | 88.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 222 | Q | 34.1 | Very low | 40.4 | Very low | 161 Ų | 161 | 131 Ų | 131 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -58 | 149 | 150 | -105.8 | -82.5 | -45.8 | 0 | 0 | 110.5 | ||||
| 223 | P | 45.6 | Very low | 39.3 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | -138.1 | 168.6 | 79.5 | 32.8 | -14.3 | 0 | 0 | 0 | 111.4 | |||||
| 224 | D | 31.4 | Very low | 38.5 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | cis | -169.5 | 166.7 | -4.9 | 174.7 | 26 | 0 | 0 | 0 | 104.2 | ||||
| 225 | L | 38.7 | Very low | 38.6 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | 96.2 | 105.6 | 162.4 | -148.9 | 68.9 | 0 | 0 | 0 | 119.1 | ||||
| 226 | G | 31.3 | Very low | 38.6 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 111.2 | 97.5 | 139.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 227 | G | 37.1 | Very low | 38.7 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | -75.1 | 167.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 228 | L | 37.5 | Very low | 38.7 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 96% | 0.963 | 80% | 0.798 | S | S | * | * | trans | -174.5 | 140.8 | 143 | -102.6 | 140.7 | 0 | 0 | 0 | 108.8 | ||||
| 229 | D | 34.5 | Very low | 38.9 | Very low | 156 Ų | 156 | 135 Ų | 135 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -56.3 | 162.8 | -173.2 | -120.2 | -20.5 | 0 | 0 | 0 | 115.3 | ||||
| 230 | P | 47.2 | Very low | 39.2 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | trans | -94.4 | 117.4 | -171.1 | 36.5 | -29.2 | 0 | 0 | 0 | 112 | ||||
| 231 | A | 37.2 | Very low | 39.6 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -161.4 | 122 | 156.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 232 | S | 38.7 | Very low | 40.1 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | trans | 61.5 | 108.2 | 156.1 | -167.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 233 | Y | 32.4 | Very low | 40.5 | Very low | 211 Ų | 211 | 136.1 Ų | 136.1 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | -174.7 | 150.4 | 107.9 | -103.9 | -76.9 | 0 | 0 | 0 | 111.5 | |||||
| 234 | D | 33.9 | Very low | 40 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | trans | -51.7 | 169.4 | -177.6 | -62.8 | -74 | 0 | 0 | 0 | 117.4 | ||||
| 235 | H | 50.6 | Low | 41.1 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | trans | 82.4 | 99.8 | 164.1 | -77 | 74 | 0 | 0 | 0 | 116.8 | ||||
| 236 | L | 49.5 | Very low | 41.5 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | 173.6 | 155.1 | 97.9 | -81 | 175.2 | 0 | 0 | 0 | 109.3 | |||||
| 237 | V | 44.3 | Very low | 41.9 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | 87.8 | 69.3 | -179.1 | -167.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 238 | G | 37.1 | Very low | 41.6 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -81.9 | 146.6 | 156 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 239 | G | 41.2 | Very low | 41.5 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 122.6 | 45.1 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 240 | L | 51.8 | Low | 41.8 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | trans | -95.2 | 92.7 | 151 | -77.6 | 174.4 | 0 | 0 | 0 | 108.8 | ||||
| 241 | L | 46.8 | Very low | 41.3 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -150.5 | 109.4 | 157.8 | -73.4 | -177.2 | 0 | 0 | 0 | 110.4 | ||||
| 242 | Y | 41.4 | Very low | 41.3 | Very low | 218 Ų | 218 | 136.4 Ų | 136.4 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -14.6 | 125.4 | 149.9 | -176.7 | -94.5 | 0 | 0 | 0 | 115.6 | ||||
| 243 | T | 41.8 | Very low | 41.1 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -154.9 | 131.4 | 147.7 | -51.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 244 | E | 36.6 | Very low | 41.5 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 48% | 0.477 | 79% | 0.792 | S | S | . | * | trans | -56.7 | 150.1 | 178.5 | 174 | -96.5 | -165 | 0 | 0 | 114.8 | W246 | E244-W246 PolarHBondContact O-N 3.41Å; E244-W246 WeakPolarHBondContact OE1-CB 3.31Å; E244-W246 PolarHBondContact OE2-N 3.48Å; E244-W246 VanDerWaalsContact OE2-O 3.08Å | ||
| 245 | P | 53.2 | Low | 42 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -97.1 | 52.2 | -176.5 | 37.8 | -33.9 | 0 | 0 | 0 | 113.1 | ||
| 246 | W | 47.3 | Very low | 41.2 | Very low | 198 Ų | 198 | 138.7 Ų | 138.7 | 75% | 0.75 | 80% | 0.802 | S | S | * | * | trans | -146.3 | 99.5 | 162.8 | -59.6 | 91.1 | 0 | 0 | 0 | 110.7 | E244 | E244-W246 PolarHBondContact O-N 3.41Å; E244-W246 WeakPolarHBondContact OE1-CB 3.31Å; E244-W246 PolarHBondContact OE2-N 3.48Å; E244-W246 VanDerWaalsContact OE2-O 3.08Å | ||
| 247 | T | 39.8 | Very low | 40.4 | Very low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 173.1 | 147.8 | 137.2 | 37.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 248 | N | 30.5 | Very low | 39.8 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | 84.8 | 104.7 | 162.4 | -57.5 | -19.7 | 0 | 0 | 0 | 117 | ||||
| 249 | C | 35.6 | Very low | 39.5 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | 68.3 | 109.6 | 62.1 | -61.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 250 | S | 41 | Very low | 39.3 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | 52.5 | 115.2 | 140 | 58.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 251 | G | 36.1 | Very low | 38.5 | Very low | 71 Ų | 71 | 143.2 Ų | 143.2 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | -153.9 | 148 | 157.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 252 | P | 38.8 | Very low | 37.9 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -88.9 | 131 | -159 | 34.2 | -31.5 | 0 | 0 | 0 | 112.5 | ||||
| 253 | C | 32.8 | Very low | 37.5 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 89% | 0.892 | 78% | 0.778 | S | S | * | * | trans | -94.4 | 109.8 | 170.6 | -161.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 254 | K | 41.6 | Very low | 37.6 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | -75 | 136.6 | 169.6 | -69.8 | -171.6 | 176.3 | 179.7 | 0 | 109.4 | ||||
| 255 | K | 44.2 | Very low | 37.6 | Very low | 201 Ų | 201 | 135.7 Ų | 135.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -65.5 | 160.3 | 171.3 | -64.4 | -178.2 | 175.6 | -177.6 | 0 | 111.6 | ||||
| 256 | P | 34.1 | Very low | 37.3 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | -128.7 | 150.3 | 117.3 | 22.4 | -5.1 | 0 | 0 | 0 | 113.7 | |||||
| 257 | S | 31.8 | Very low | 37 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -52.6 | 154.1 | 163.8 | -155.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 258 | E | 32.8 | Very low | 36.9 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | 174.3 | 153.9 | 55.4 | -160.5 | 162.8 | -146.2 | 0 | 0 | 107.6 | |||||
| 259 | G | 31.2 | Very low | 36.9 | Very low | 65 Ų | 65 | 134 Ų | 134 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | 150.7 | 82.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 260 | L | 37 | Very low | 36.6 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 54.9 | 111.8 | 137 | -60.2 | 167.3 | 0 | 0 | 0 | 122.9 | ||||
| 261 | R | 34.4 | Very low | 36 | Very low | 214 Ų | 214 | 137.6 Ų | 137.6 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | 81.7 | 121.5 | 123.2 | -71.2 | -68.6 | -135.6 | -119.7 | 2.5 | 122.5 | |||||
| 262 | T | 33.8 | Very low | 35.6 | Very low | 138 Ų | 138 | 141 Ų | 141 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | 76.6 | 121.7 | 137.3 | 38.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 263 | G | 33.7 | Very low | 35.3 | Very low | 67 Ų | 67 | 138.6 Ų | 138.6 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | 143.7 | 119.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 264 | P | 43.4 | Very low | 35.3 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 139.1 | 177.1 | 31.5 | -31.2 | 0 | 0 | 0 | 111.9 | ||
| 265 | P | 37.6 | Very low | 34.8 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 125.7 | 176.4 | 30.6 | -30.4 | 0 | 0 | 0 | 111.8 | ||
| 266 | Q | 45.1 | Very low | 34.3 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 145.2 | 166.6 | -71.9 | -88.7 | -44.4 | 0 | 0 | 111.1 | ||
| 267 | P | 42.4 | Very low | 34.4 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 142.8 | 166.7 | 32.6 | -30.6 | 0 | 0 | 0 | 111.4 | V269 | P267-V269 PolarHBondContact O-N 3.36Š|
| 268 | P | 37.4 | Very low | 34.5 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69 | 124.8 | 167.2 | -13.1 | 27.8 | 0 | 0 | 0 | 110.5 | ||
| 269 | V | 31.1 | Very low | 34.9 | Very low | 130 Ų | 130 | 133 Ų | 133 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 126.6 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 109.3 | P267 | P267-V269 PolarHBondContact O-N 3.36Š|
| 270 | Y | 28.4 | Very low | 35.3 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | trans | 47.5 | 116.7 | 143.3 | -151.6 | -104.5 | 0 | 0 | 0 | 119.9 | Q272 | Y270-Q272 HydrophobicContact CD1-CB 4.27Å; Y270-Q272 HydrophobicContact CE1-CB 3.88Å; Y270-Q272 HydrophobicContact CE1-CG 4.25Å | ||
| 271 | S | 27.6 | Very low | 35.6 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -120.7 | 93.5 | 148.8 | -63.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 272 | Q | 27.9 | Very low | 35.7 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | 5.2 | 116.2 | 146.1 | -156.2 | 166.3 | -4 | 0 | 0 | 117.1 | Y270 | Y270-Q272 HydrophobicContact CD1-CB 4.27Å; Y270-Q272 HydrophobicContact CE1-CB 3.88Å; Y270-Q272 HydrophobicContact CE1-CG 4.25Å | ||
| 273 | A | 33 | Very low | 36.4 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | trans | -71 | 138.7 | 156.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 274 | E | 33.7 | Very low | 36.6 | Very low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -110.6 | 114.7 | 152.7 | -68 | -157.4 | 128.6 | 0 | 0 | 107.6 | ||||
| 275 | D | 31.3 | Very low | 36.5 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -73.1 | 132.8 | 166.2 | -74.9 | -49.6 | 0 | 0 | 0 | 108.7 | ||||
| 276 | T | 32.3 | Very low | 36.5 | Very low | 137 Ų | 137 | 135 Ų | 135 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -137.8 | 106.4 | 150.9 | -62.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 277 | S | 36.2 | Very low | 36.3 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -83.4 | 126.8 | 175.1 | 52.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 278 | V | 33.8 | Very low | 36.3 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -151.4 | 135.8 | 146.2 | -161.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 279 | P | 40.8 | Very low | 36.4 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | trans | -90.9 | 139.9 | -174 | 35.3 | -31.2 | 0 | 0 | 0 | 111.5 | ||||
| 280 | L | 40.3 | Very low | 37.4 | Very low | 166 Ų | 166 | 135 Ų | 135 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | trans | -148 | 115.6 | 160.3 | -170.9 | 62.6 | 0 | 0 | 0 | 109.7 | ||||
| 281 | D | 42.9 | Very low | 38.6 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -66.2 | 126 | 167.3 | -36.9 | -86.9 | 0 | 0 | 0 | 108.4 | ||||
| 282 | D | 36.9 | Very low | 39.6 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -160.6 | 135.4 | 137.2 | -158.4 | -114.7 | 0 | 0 | 0 | 112.4 | G284 | D282-G284 PolarHBondContact O-N 3.37Å; D282-G284 VanDerWaalsContact O-N 3.09Å | ||
| 283 | N | 48.6 | Very low | 40.5 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | -77.5 | 78 | 178.5 | 174.8 | 47.6 | 0 | 0 | 0 | 109.9 | ||||
| 284 | G | 37.7 | Very low | 41.2 | Very low | 59 Ų | 59 | 139.3 Ų | 139.3 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | trans | -95.8 | 91.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D282 C286 | D282-G284 PolarHBondContact O-N 3.37Å; D282-G284 VanDerWaalsContact O-N 3.09Å; G284-C286 PolarHBondContact O-N 3.35Å; G284-C286 VanDerWaalsContact O-N 3.1Å | ||
| 285 | L | 42.1 | Very low | 42 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -59.2 | 108.9 | 162.4 | -77.9 | 154.1 | 0 | 0 | 0 | 108.8 | T287 | L285-T287 PolarHBondContact O-N 3.41Å; L285-T287 PolarHBondContact O-OG1 3.24Å | ||
| 286 | C | 36.1 | Very low | 42.7 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | trans | -64.1 | 85.3 | 170.9 | -68.1 | 0 | 0 | 0 | 0 | 110.2 | G284 L288 | G284-C286 PolarHBondContact O-N 3.35Å; G284-C286 VanDerWaalsContact O-N 3.1Å; C286-L288 PolarHBondContact O-N 2.93Å | ||
| 287 | T | 41.9 | Very low | 43 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | trans | -86 | 94.1 | 170.6 | -40.2 | 0 | 0 | 0 | 0 | 106.6 | L285 T289 | L285-T287 PolarHBondContact O-N 3.41Å; L285-T287 PolarHBondContact O-OG1 3.24Å; T287-T289 VanDerWaalsContact C-N 3.32Å; T287-T289 PolarHBondContact O-N 3.34Å | ||
| 288 | L | 41.7 | Very low | 44 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | -63.2 | 94.5 | 171.8 | -75.2 | 167.6 | 0 | 0 | 0 | 108.7 | C286 | C286-L288 PolarHBondContact O-N 2.93Š| ||
| 289 | T | 40.9 | Very low | 44.8 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | -89.6 | 106.7 | 174.2 | -60.9 | 0 | 0 | 0 | 0 | 107.8 | T287 | T287-T289 VanDerWaalsContact C-N 3.32Å; T287-T289 PolarHBondContact O-N 3.34Å | ||
| 290 | F | 51.9 | Low | 44.7 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | -77 | 139.1 | 165.9 | -69.4 | -84.8 | 0 | 0 | 0 | 109.1 | N292 | F290-N292 PolarHBondContact O-N 3.31Š| ||
| 291 | P | 52.2 | Low | 44.8 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -66.1 | 121.2 | 170.6 | 25.7 | -29.6 | 0 | 0 | 0 | 109.2 | F293 | P291-F293 PolarHBondContact O-N 3.15Š| ||
| 292 | N | 49.3 | Very low | 44.6 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -70.5 | 107.2 | 175.4 | -74.8 | -73.4 | 0 | 0 | 0 | 109.4 | F290 F294 | F290-N292 PolarHBondContact O-N 3.31Å; N292-F294 PolarHBondContact O-N 3.15Å | ||
| 293 | F | 47 | Very low | 44.9 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | trans | -87.4 | 43.8 | 174.9 | -104.4 | -86.3 | 0 | 0 | 0 | 112.6 | P291 | P291-F293 PolarHBondContact O-N 3.15Š| ||
| 294 | F | 48.5 | Very low | 44.4 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 77% | 0.772 | 76% | 0.76 | S | S | * | * | trans | -140.9 | 107.3 | 171.8 | -70.6 | -77.4 | 0 | 0 | 0 | 109.3 | N292 D296 | N292-F294 PolarHBondContact O-N 3.15Å; F294-D296 VanDerWaalsContact C-N 3.26Å; F294-D296 PolarHBondContact O-N 3.49Å | ||
| 295 | P | 50.1 | Low | 44.5 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -2.5 | -176 | 28.1 | -31.2 | 0 | 0 | 0 | 115 | ||
| 296 | D | 45.2 | Very low | 44.6 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 27.8 | -165.9 | -60.3 | -44.8 | 0 | 0 | 0 | 116.7 | F294 | F294-D296 VanDerWaalsContact C-N 3.26Å; F294-D296 PolarHBondContact O-N 3.49Å |
| 297 | C | 39.9 | Very low | 45 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | -116.5 | 92.6 | 170.3 | -95 | 0 | 0 | 0 | 0 | 111.3 | I299 | C297-I299 PolarHBondContact O-N 3.41Š| ||
| 298 | S | 55.4 | Low | 44.7 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -68.4 | 92.4 | 168.1 | 59.4 | 0 | 0 | 0 | 0 | 110.1 | S300 | S298-S300 PolarHBondContact O-N 3.39Š| ||
| 299 | I | 51.5 | Low | 44.4 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -82.5 | 111.6 | 171.9 | -69.8 | 166.4 | 0 | 0 | 0 | 108.2 | C297 Q301 | C297-I299 PolarHBondContact O-N 3.41Å; I299-Q301 PolarHBondContact O-N 3.29Å; I299-Q301 VanDerWaalsContact O-N 3.15Å | ||
| 300 | S | 39.5 | Very low | 44.6 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -58 | 113.9 | 171.3 | -41.3 | 0 | 0 | 0 | 0 | 109.8 | S298 V302 | S298-S300 PolarHBondContact O-N 3.39Å; S300-V302 PolarHBondContact O-N 3.46Å | ||
| 301 | Q | 41 | Very low | 44.1 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -68.3 | 100.2 | 170.8 | -76 | -178.5 | -34 | 0 | 0 | 109.3 | I299 | I299-Q301 PolarHBondContact O-N 3.29Å; I299-Q301 VanDerWaalsContact O-N 3.15Å | ||
| 302 | V | 40.1 | Very low | 43.9 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 68% | 0.679 | 79% | 0.791 | S | S | * | * | trans | -93 | 101.2 | 163.8 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | S300 Y304 | S300-V302 PolarHBondContact O-N 3.46Å; V302-Y304 HydrophobicContact CG1-CD2 4.39Å; V302-Y304 HydrophobicContact CG1-CE2 4.42Å; V302-Y304 PolarHBondContact O-N 3.04Å; V302-Y304 VanDerWaalsContact O-N 3.16Å | ||
| 303 | T | 41.3 | Very low | 43.5 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -62.5 | 107 | 168.5 | -56 | 0 | 0 | 0 | 0 | 108.7 | D305 | T303-D305 PolarHBondContact O-N 3.41Š| ||
| 304 | Y | 38.8 | Very low | 43.3 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -79.1 | 103.4 | 166.9 | -99.4 | -88.8 | 0 | 0 | 0 | 108.7 | V302 L306 | V302-Y304 HydrophobicContact CG1-CD2 4.39Å; V302-Y304 HydrophobicContact CG1-CE2 4.42Å; V302-Y304 PolarHBondContact O-N 3.04Å; V302-Y304 VanDerWaalsContact O-N 3.16Å; Y304-L306 PolarHBondContact O-N 3.1Å | ||
| 305 | D | 39.6 | Very low | 43 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -67 | 108.8 | 165.9 | -113.1 | -35 | 0 | 0 | 0 | 108.7 | T303 N307 | T303-D305 PolarHBondContact O-N 3.41Å; D305-N307 PolarHBondContact O-N 3.2Å; D305-N307 VanDerWaalsContact O-N 3.14Å | ||
| 306 | L | 45.4 | Very low | 43 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -87.5 | 63.1 | 176.3 | -145.9 | 86.2 | 0 | 0 | 0 | 109.3 | Y304 | Y304-L306 PolarHBondContact O-N 3.1Š| ||
| 307 | N | 44.7 | Very low | 42.8 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -145.6 | 117.8 | 173.4 | -153.1 | 16.2 | 0 | 0 | 0 | 112.2 | D305 | D305-N307 PolarHBondContact O-N 3.2Å; D305-N307 VanDerWaalsContact O-N 3.14Å | ||
| 308 | G | 34.8 | Very low | 43.1 | Very low | 73 Ų | 73 | 151 Ų | 151 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | 138.2 | 102.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 309 | G | 36.1 | Very low | 42.5 | Very low | 62 Ų | 62 | 152.5 Ų | 152.5 | 64% | 0.639 | 83% | 0.828 | S | S | * | * | 98.8 | 100.2 | 53.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | N311 | G309-N311 PolarHBondContact O-N 3.07Š| |||
| 310 | Y | 44.5 | Very low | 42 | Very low | 235 Ų | 235 | 152.7 Ų | 152.7 | 92% | 0.922 | 83% | 0.831 | S | S | * | * | trans | -36.4 | 125.3 | 177.4 | -63 | -94.9 | 0 | 0 | 0 | 113.7 | ||||
| 311 | N | 40.8 | Very low | 42.1 | Very low | 146 Ų | 146 | 155.3 Ų | 155.3 | 78% | 0.781 | 84% | 0.837 | S | S | * | * | trans | -141.7 | 108.4 | 155.7 | -79.1 | -69.5 | 0 | 0 | 0 | 110.4 | G309 T313 | G309-N311 PolarHBondContact O-N 3.07Å; N311-T313 PolarHBondContact O-N 3.36Å | ||
| 312 | K | 48.8 | Very low | 42.2 | Very low | 203 Ų | 203 | 153.5 Ų | 153.5 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 119.7 | 160.6 | -86.9 | 170.8 | 158.7 | 177.5 | 0 | 108 | ||
| 313 | T | 40.3 | Very low | 42.3 | Very low | 134 Ų | 134 | 156.1 Ų | 156.1 | 82% | 0.822 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -100 | 124.8 | 165.5 | 33.3 | 0 | 0 | 0 | 0 | 110.1 | N311 | N311-T313 PolarHBondContact O-N 3.36Š|
| 314 | N | 42.7 | Very low | 42.4 | Very low | 153 Ų | 153 | 158.5 Ų | 158.5 | 82% | 0.818 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 145.4 | -177.8 | -70.4 | -78 | 0 | 0 | 0 | 111.4 | ||
| 315 | F | 42.2 | Very low | 42.7 | Very low | 211 Ų | 211 | 155.1 Ų | 155.1 | 93% | 0.925 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 132.3 | 164.5 | -65.9 | -87 | 0 | 0 | 0 | 109.5 | ||
| 316 | S | 51.1 | Low | 42.9 | Very low | 115 Ų | 115 | 155.8 Ų | 155.8 | 80% | 0.804 | 86% | 0.86 | S | S | * | * | trans | -112.6 | 113 | 164.4 | -165.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 317 | C | 41.3 | Very low | 42.7 | Very low | 124 Ų | 124 | 154.8 Ų | 154.8 | 84% | 0.838 | 86% | 0.858 | S | S | * | * | trans | -84.9 | 124.8 | 164.4 | -80.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 318 | L | 45.4 | Very low | 42.5 | Very low | 244 Ų | 244 | 154.5 Ų | 154.5 | 100% | 1.277 | 86% | 0.86 | S | S | * | * | trans | -150.4 | 0 | 146.6 | -96.5 | 167.2 | 0 | 0 | 0 | 107.9 |
Retrieved 318 of 318 residues in 38.6 ms
(Link to these results)