| 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 | P | 54.5 | Low | 52.4 | Low | 149 Ų | 149 | 124.9 Ų | 124.9 | 97% | 0.968 | 66% | 0.659 | S | S | * | * | 0 | -24.9 | 0 | 28.6 | -14 | 0 | 0 | 0 | 116.5 | |||||
| 2 | R | 49.2 | Very low | 52.5 | Low | 219 Ų | 219 | 119 Ų | 119 | 83% | 0.826 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -80.4 | -35.6 | 178.5 | -82 | -174.7 | 173.8 | 149.2 | -1.5 | 114.7 | I4 K5 T6 | R2-I4 VanDerWaalsContact C-N 3.33Å; R2-I4 PolarHBondContact O-N 3.45Å; R2-K5 PolarHBondContact O-N 3.02Å; R2-T6 PolarHBondContact O-OG1 3Å |
| 3 | Q | 49 | Very low | 52.5 | Low | 157 Ų | 157 | 119 Ų | 119 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.3 | -27.5 | -177.2 | -64.5 | -71.7 | 63 | 0 | 0 | 114.2 | ||
| 4 | I | 51.4 | Low | 52.1 | Low | 120 Ų | 120 | 124.6 Ų | 124.6 | 62% | 0.615 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -75.1 | -30.6 | -177.7 | -59.8 | 171.8 | 0 | 0 | 0 | 111.2 | R2 | R2-I4 VanDerWaalsContact C-N 3.33Å; R2-I4 PolarHBondContact O-N 3.45Å |
| 5 | K | 53.7 | Low | 52.1 | Low | 159 Ų | 159 | 125.6 Ų | 125.6 | 69% | 0.691 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.7 | -31.2 | 179.6 | -71.5 | -175.3 | 174.9 | -172.8 | 0 | 112.5 | R2 A9 | R2-K5 PolarHBondContact O-N 3.02Å; K5-A9 PolarHBondContact O-N 3Å |
| 6 | T | 51.9 | Low | 51.7 | Low | 82 Ų | 82 | 124.5 Ų | 124.5 | 50% | 0.503 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -68.6 | -36.9 | -179.7 | -42.6 | 0 | 0 | 0 | 0 | 111.8 | R2 A9 T10 | R2-T6 PolarHBondContact O-OG1 3Å; T6-A9 PolarHBondContact O-N 3.14Å; T6-T10 PolarHBondContact O-N 2.92Å; T6-T10 PolarHBondContact O-OG1 2.77Å; T6-T10 VanDerWaalsContact O-OG1 3.08Å |
| 7 | L | 52.4 | Low | 51.4 | Low | 133 Ų | 133 | 124.1 Ų | 124.1 | 70% | 0.696 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71 | -33.4 | -179.5 | -69.5 | 167.5 | 0 | 0 | 0 | 113.2 | A11 | L7-A11 PolarHBondContact O-N 3.2Å |
| 8 | Q | 54.8 | Low | 50.9 | Low | 145 Ų | 145 | 121.4 Ų | 121.4 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.1 | -31.5 | 175.7 | -74.6 | -169.5 | -63.4 | 0 | 0 | 112.9 | A12 | Q8-A12 PolarHBondContact O-N 3.5Å |
| 9 | A | 53.9 | Low | 50.6 | Low | 55 Ų | 55 | 124 Ų | 124 | 46% | 0.455 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -68.5 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K5 T6 A11 A12 D13 | K5-A9 PolarHBondContact O-N 3Å; T6-A9 PolarHBondContact O-N 3.14Å; A9-A11 VanDerWaalsContact C-N 3.32Å; A9-A11 PolarHBondContact O-N 3.02Å; A9-A12 PolarHBondContact O-N 2.96Å; A9-D13 PolarHBondContact O-N 3.16Å |
| 10 | T | 52.7 | Low | 50.5 | Low | 94 Ų | 94 | 125 Ų | 125 | 58% | 0.577 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68 | -30.3 | 179.4 | -47.1 | 0 | 0 | 0 | 0 | 113 | T6 | T6-T10 PolarHBondContact O-N 2.92Å; T6-T10 PolarHBondContact O-OG1 2.77Å; T6-T10 VanDerWaalsContact O-OG1 3.08Å |
| 11 | A | 52.9 | Low | 49.8 | Very low | 61 Ų | 61 | 125.8 Ų | 125.8 | 50% | 0.504 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -72.2 | -30.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L7 A9 I15 | L7-A11 PolarHBondContact O-N 3.2Å; A9-A11 VanDerWaalsContact C-N 3.32Å; A9-A11 PolarHBondContact O-N 3.02Å; A11-I15 WeakPolarHBondContact O-CG1 3.45Å |
| 12 | A | 53.9 | Low | 49.1 | Very low | 54 Ų | 54 | 124.5 Ų | 124.5 | 45% | 0.446 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -74.6 | -32.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q8 A9 T16 | Q8-A12 PolarHBondContact O-N 3.5Å; A9-A12 PolarHBondContact O-N 2.96Å; A12-T16 PolarHBondContact O-OG1 3.33Å |
| 13 | D | 51.9 | Low | 48.5 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.6 | -29 | 179.4 | -74.2 | -13.6 | 0 | 0 | 0 | 112.7 | A9 | A9-D13 PolarHBondContact O-N 3.16Å |
| 14 | Y | 47.7 | Very low | 48.2 | Very low | 197 Ų | 197 | 120.1 Ų | 120.1 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -74.6 | -23.7 | 179.1 | -166.6 | -100.9 | 0 | 0 | 0 | 113.5 | ||
| 15 | I | 51.2 | Low | 47.4 | Very low | 140 Ų | 140 | 122.7 Ų | 122.7 | 72% | 0.718 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -81.8 | -23.8 | -178.5 | -58.8 | -95.3 | 0 | 0 | 0 | 111.1 | A11 | A11-I15 WeakPolarHBondContact O-CG1 3.45Å |
| 16 | T | 45.4 | Very low | 46.9 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 66% | 0.663 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -89.7 | -18.4 | -170.2 | -54.3 | 0 | 0 | 0 | 0 | 113.5 | A12 G18 | A12-T16 PolarHBondContact O-OG1 3.33Å; T16-G18 VanDerWaalsContact C-N 3.3Å; T16-G18 PolarHBondContact O-N 3.12Å |
| 17 | T | 46.9 | Very low | 46.7 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -1.5 | -176.7 | 45.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 18 | G | 42.7 | Very low | 46.6 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 5.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T16 | T16-G18 VanDerWaalsContact C-N 3.3Å; T16-G18 PolarHBondContact O-N 3.12Å |
| 19 | F | 45.9 | Very low | 45.8 | Very low | 170 Ų | 170 | 131 Ų | 131 | 75% | 0.746 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -123.2 | 117.7 | -171.6 | -163 | -113.9 | 0 | 0 | 0 | 111.2 | ||
| 20 | L | 47.1 | Very low | 45.8 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | 93.5 | 90.7 | 170.4 | -48.4 | 178.3 | 0 | 0 | 0 | 116.6 | ||||
| 21 | D | 36.3 | Very low | 45.7 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | -143.2 | 124.3 | 126.4 | -157 | 7.9 | 0 | 0 | 0 | 109.5 | |||||
| 22 | S | 40.6 | Very low | 45.6 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -149.5 | 88.3 | 175.6 | -67.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 23 | Q | 35.2 | Very low | 45.2 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | trans | -99.7 | 139.8 | 166.6 | -117.9 | 158.3 | 29.1 | 0 | 0 | 109.4 | L25 | Q23-L25 PolarHBondContact O-N 3.42Š| ||
| 24 | P | 43.8 | Very low | 45 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -83.3 | 120.2 | -166.8 | 32.2 | -30.3 | 0 | 0 | 0 | 109.9 | ||||
| 25 | L | 35.5 | Very low | 44.9 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -111.6 | 130.6 | 171.2 | -74.3 | -179.5 | 0 | 0 | 0 | 111.4 | Q23 | Q23-L25 PolarHBondContact O-N 3.42Š| ||
| 26 | R | 42.6 | Very low | 44.8 | Very low | 242 Ų | 242 | 140.7 Ų | 140.7 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | trans | -58.8 | 145.9 | -175.6 | -76.2 | 152 | 52.1 | 161.2 | -3.8 | 112.6 | ||||
| 27 | E | 48.3 | Very low | 45 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | trans | -47.4 | 125.5 | 166.4 | -67.9 | 166 | 159.9 | 0 | 0 | 112.6 | ||||
| 28 | A | 49.7 | Very low | 44.9 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -170.7 | 131.5 | 140.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 29 | D | 37.3 | Very low | 45.3 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | 83 | 86.3 | 166.1 | -59.7 | -25.8 | 0 | 0 | 0 | 118.3 | D31 | D29-D31 PolarHBondContact O-N 3.48Š| ||
| 30 | E | 54.3 | Low | 45.7 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 97.8 | 157.4 | -57.4 | -171.5 | 151.9 | 0 | 0 | 110.5 | ||
| 31 | D | 50.3 | Low | 46.1 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.1 | -0.7 | 150.7 | -122.3 | -9 | 0 | 0 | 0 | 115.7 | D29 | D29-D31 PolarHBondContact O-N 3.48Š|
| 32 | L | 50.3 | Low | 47 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -108.2 | 12.6 | -178.7 | -157.1 | 65.5 | 0 | 0 | 0 | 113.8 | ||
| 33 | A | 46.1 | Very low | 47.5 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 65% | 0.653 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -92.6 | -13.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 34 | S | 48.4 | Very low | 49.2 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -80.9 | -17.6 | -177.5 | -74.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 35 | E | 45.2 | Very low | 50.6 | Low | 148 Ų | 148 | 134.2 Ų | 134.2 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -82.9 | -21 | -177.3 | -57 | -161 | 168.5 | 0 | 0 | 113.3 | ||
| 36 | V | 49.9 | Very low | 52.5 | Low | 118 Ų | 118 | 132.7 Ų | 132.7 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -90.8 | -18.3 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 37 | S | 47.9 | Very low | 54.4 | Low | 82 Ų | 82 | 125.3 Ų | 125.3 | 57% | 0.573 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -84.2 | -27.9 | -179.9 | -161.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 38 | L | 46.1 | Very low | 55.9 | Low | 121 Ų | 121 | 122.8 Ų | 122.8 | 63% | 0.634 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -79.8 | -19.4 | 179.2 | -68.6 | 171.3 | 0 | 0 | 0 | 113.9 | N40 | L38-N40 VanDerWaalsContact C-N 3.29Å; L38-N40 PolarHBondContact O-N 2.98Å |
| 39 | N | 50.7 | Low | 57.5 | Low | 150 Ų | 150 | 124 Ų | 124 | 80% | 0.802 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -79.1 | -8.7 | -178.5 | -112.8 | -19.8 | 0 | 0 | 0 | 114.2 | ||
| 40 | N | 53.9 | Low | 59.9 | Low | 152 Ų | 152 | 122.4 Ų | 122.4 | 81% | 0.813 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -111.1 | -4.6 | -178.1 | -112.1 | -21.3 | 0 | 0 | 0 | 114.4 | L38 | L38-N40 VanDerWaalsContact C-N 3.29Å; L38-N40 PolarHBondContact O-N 2.98Å |
| 41 | S | 55.2 | Low | 61.7 | Low | 91 Ų | 91 | 117.3 Ų | 117.3 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | -5.3 | -172.1 | -60.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 42 | N | 56.3 | Low | 63.7 | Low | 122 Ų | 122 | 114.2 Ų | 114.2 | 65% | 0.652 | 61% | 0.609 | S | S | * | * | trans | -125.9 | 61.4 | 179 | -67.6 | -26.2 | 0 | 0 | 0 | 110.7 | T44 | N42-T44 PolarHBondContact O-N 3.43Å; N42-T44 VanDerWaalsContact O-N 3.16Å | ||
| 43 | M | 51.6 | Low | 65.8 | Low | 110 Ų | 110 | 113.6 Ų | 113.6 | 54% | 0.542 | 60% | 0.602 | S | S | . | * | trans | -59.4 | 113 | 150 | -174.6 | 70 | 65.3 | 0 | 0 | 105.3 | E47 R48 I51 | M43-E47 HydrophobicContact CG-CB 4.01Å; M43-E47 HydrophobicContact SD-CB 3.33Å; M43-E47 WeakPolarHBondContact SD-CB 3.39Å; M43-E47 HydrophobicContact SD-CG 4.32Å; M43-R48 HydrophobicContact CG-CB 4.03Å; M43-I51 HydrophobicContact CE-CD1 3.59Å; M43-I51 HydrophobicContact SD-CD1 3.68Å | ||
| 44 | T | 70.9 | Confident | 68.2 | Low | 71 Ų | 71 | 115.9 Ų | 115.9 | 44% | 0.436 | 60% | 0.599 | S | S | . | * | trans | -63.3 | 150.4 | 178.8 | 47.4 | 0 | 0 | 0 | 0 | 109.5 | N42 E46 E47 R48 | N42-T44 PolarHBondContact O-N 3.43Å; N42-T44 VanDerWaalsContact O-N 3.16Å; T44-E46 PolarHBondContact O-N 3.14Å; T44-E46 VanDerWaalsContact O-N 3.14Å; T44-E47 PolarHBondContact N-OE2 2.9Å; T44-E47 PolarHBondContact O-N 3.37Å; T44-E47 VanDerWaalsContact OG1-CG 3.27Å; T44-E47 WeakPolarHBondContact OG1-CG 3.24Å; T44-E47 PolarHBondContact OG1-OE2 3.5Å; T44-R48 PolarHBondContact O-N 2.72Å | ||
| 45 | E | 72.3 | Confident | 70.5 | Confident | 128 Ų | 128 | 116 Ų | 116 | 60% | 0.598 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -55.2 | -35.3 | -176.2 | -170.9 | 69 | -150.9 | 0 | 0 | 111.2 | R48 E49 | E45-R48 PolarHBondContact O-N 3.06Å; E45-E49 WeakPolarHBondContact O-CB 3.33Å; E45-E49 PolarHBondContact O-N 3.25Å |
| 46 | E | 75.3 | Confident | 73 | Confident | 142 Ų | 142 | 112.3 Ų | 112.3 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.3 | -48.7 | 172.7 | -82.3 | 114.9 | -175.2 | 0 | 0 | 113.3 | T44 R48 E49 E50 | T44-E46 PolarHBondContact O-N 3.14Å; T44-E46 VanDerWaalsContact O-N 3.14Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 2.92Å; E46-E49 PolarHBondContact O-N 3.36Å; E46-E49 VanDerWaalsContact O-N 3.14Å; E46-E50 WeakPolarHBondContact O-CG 3.46Å; E46-E50 PolarHBondContact O-N 3.39Å |
| 47 | E | 82.1 | Confident | 75.3 | Confident | 87 Ų | 87 | 113.5 Ų | 113.5 | 41% | 0.407 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.5 | -35 | 178.7 | -67.3 | 167.6 | 137.3 | 0 | 0 | 111.7 | M43 T44 E49 E50 I51 | M43-E47 HydrophobicContact CG-CB 4.01Å; M43-E47 HydrophobicContact SD-CB 3.33Å; M43-E47 WeakPolarHBondContact SD-CB 3.39Å; M43-E47 HydrophobicContact SD-CG 4.32Å; T44-E47 PolarHBondContact N-OE2 2.9Å; T44-E47 PolarHBondContact O-N 3.37Å; T44-E47 VanDerWaalsContact OG1-CG 3.27Å; T44-E47 WeakPolarHBondContact OG1-CG 3.24Å; T44-E47 PolarHBondContact OG1-OE2 3.5Å; E47-E49 VanDerWaalsContact C-N 3.33Å; E47-E50 PolarHBondContact O-N 3.31Å; E47-I51 WeakPolarHBondContact O-CD1 3.5Å; E47-I51 VanDerWaalsContact O-CG1 3.24Å; E47-I51 WeakPolarHBondContact O-CG1 3.38Å; E47-I51 PolarHBondContact O-N 2.89Å |
| 48 | R | 79.7 | Confident | 77.6 | Confident | 147 Ų | 147 | 113.6 Ų | 113.6 | 56% | 0.555 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.7 | -41.5 | 174.3 | -172.4 | -173.2 | -177.4 | -169.1 | 1.6 | 111.2 | M43 T44 E45 E46 I51 L52 | M43-R48 HydrophobicContact CG-CB 4.03Å; T44-R48 PolarHBondContact O-N 2.72Å; E45-R48 PolarHBondContact O-N 3.06Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 2.92Å; R48-I51 PolarHBondContact O-N 3.41Å; R48-L52 WeakPolarHBondContact O-CG 3.49Å; R48-L52 PolarHBondContact O-N 2.88Å; R48-L52 VanDerWaalsContact O-N 3.12Å |
| 49 | E | 84.7 | Confident | 80.1 | Confident | 114 Ų | 114 | 113.3 Ų | 113.3 | 53% | 0.533 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.3 | -37 | 179 | -155.9 | 160.1 | -145.7 | 0 | 0 | 111.5 | E45 E46 E47 L52 Q53 | E45-E49 WeakPolarHBondContact O-CB 3.33Å; E45-E49 PolarHBondContact O-N 3.25Å; E46-E49 PolarHBondContact O-N 3.36Å; E46-E49 VanDerWaalsContact O-N 3.14Å; E47-E49 VanDerWaalsContact C-N 3.33Å; E49-L52 PolarHBondContact O-N 3.41Å; E49-Q53 WeakPolarHBondContact O-CG 3.44Å; E49-Q53 PolarHBondContact O-N 2.9Å |
| 50 | E | 88.1 | Confident | 82.4 | Confident | 129 Ų | 129 | 112.1 Ų | 112.1 | 60% | 0.603 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.6 | -44.7 | 171.6 | -73.7 | -177.7 | 179.3 | 0 | 0 | 112.3 | E46 E47 L52 Q53 E54 | E46-E50 WeakPolarHBondContact O-CG 3.46Å; E46-E50 PolarHBondContact O-N 3.39Å; E47-E50 PolarHBondContact O-N 3.31Å; E50-L52 VanDerWaalsContact C-N 3.32Å; E50-L52 PolarHBondContact O-N 3.33Å; E50-Q53 WeakPolarHBondContact O-CB 3.47Å; E50-Q53 PolarHBondContact O-N 3.32Å; E50-E54 PolarHBondContact O-N 2.86Å |
| 51 | I | 92 | Very high | 84.5 | Confident | 86 Ų | 86 | 109.9 Ų | 109.9 | 44% | 0.441 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 176.9 | -69.7 | 165.7 | 0 | 0 | 0 | 111.3 | M43 E47 R48 Q53 E54 L55 | M43-I51 HydrophobicContact CE-CD1 3.59Å; M43-I51 HydrophobicContact SD-CD1 3.68Å; E47-I51 WeakPolarHBondContact O-CD1 3.5Å; E47-I51 VanDerWaalsContact O-CG1 3.24Å; E47-I51 WeakPolarHBondContact O-CG1 3.38Å; E47-I51 PolarHBondContact O-N 2.89Å; R48-I51 PolarHBondContact O-N 3.41Å; I51-Q53 VanDerWaalsContact C-N 3.35Å; I51-E54 PolarHBondContact O-N 2.87Å; I51-L55 WeakPolarHBondContact O-CB 3.49Å; I51-L55 PolarHBondContact O-N 3.38Å |
| 52 | L | 91.7 | Very high | 86.5 | Confident | 94 Ų | 94 | 109.7 Ų | 109.7 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66 | -37.9 | 175.8 | -73 | 174.5 | 0 | 0 | 0 | 112.1 | R48 E49 E50 L55 T56 | R48-L52 WeakPolarHBondContact O-CG 3.49Å; R48-L52 PolarHBondContact O-N 2.88Å; R48-L52 VanDerWaalsContact O-N 3.12Å; E49-L52 PolarHBondContact O-N 3.41Å; E50-L52 VanDerWaalsContact C-N 3.32Å; E50-L52 PolarHBondContact O-N 3.33Å; L52-L55 PolarHBondContact O-N 3.46Å; L52-T56 WeakPolarHBondContact O-CB 3.27Å; L52-T56 PolarHBondContact O-N 3.35Å; L52-T56 PolarHBondContact O-OG1 2.88Å |
| 53 | Q | 94.9 | Very high | 88.5 | Confident | 130 Ų | 130 | 107.3 Ų | 107.3 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.7 | -43.6 | 174.1 | -72.1 | 178.1 | 18 | 0 | 0 | 111.5 | E49 E50 I51 L55 T56 K57 | E49-Q53 WeakPolarHBondContact O-CG 3.44Å; E49-Q53 PolarHBondContact O-N 2.9Å; E50-Q53 WeakPolarHBondContact O-CB 3.47Å; E50-Q53 PolarHBondContact O-N 3.32Å; I51-Q53 VanDerWaalsContact C-N 3.35Å; Q53-L55 VanDerWaalsContact C-N 3.35Å; Q53-T56 PolarHBondContact O-N 3.16Å; Q53-K57 WeakPolarHBondContact O-CB 3.38Å; Q53-K57 PolarHBondContact O-N 3.02Å |
| 54 | E | 95.9 | Very high | 90.7 | Very high | 126 Ų | 126 | 105.8 Ų | 105.8 | 59% | 0.589 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 176.5 | -170.7 | 171.8 | -166.7 | 0 | 0 | 111.7 | E50 I51 K57 L58 | E50-E54 PolarHBondContact O-N 2.86Å; I51-E54 PolarHBondContact O-N 2.87Å; E54-K57 PolarHBondContact O-N 3.29Å; E54-L58 HydrophobicContact CG-CD1 4.43Å; E54-L58 WeakPolarHBondContact O-CB 3.31Å; E54-L58 WeakPolarHBondContact O-CG 3.42Å; E54-L58 PolarHBondContact O-N 2.8Å |
| 55 | L | 96.8 | Very high | 92.1 | Very high | 89 Ų | 89 | 107.4 Ų | 107.4 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.2 | -50.5 | 173.1 | -170.7 | 90.3 | 0 | 0 | 0 | 111 | I51 L52 Q53 K57 L58 E59 | I51-L55 WeakPolarHBondContact O-CB 3.49Å; I51-L55 PolarHBondContact O-N 3.38Å; L52-L55 PolarHBondContact O-N 3.46Å; Q53-L55 VanDerWaalsContact C-N 3.35Å; L55-K57 VanDerWaalsContact C-N 3.3Å; L55-K57 PolarHBondContact O-N 3.5Å; L55-L58 WeakPolarHBondContact O-CB 3.39Å; L55-L58 PolarHBondContact O-N 3.44Å; L55-L58 VanDerWaalsContact O-N 3.16Å; L55-E59 WeakPolarHBondContact O-CG 3.49Å; L55-E59 PolarHBondContact O-N 2.85Å |
| 56 | T | 97.1 | Very high | 93.3 | Very high | 69 Ų | 69 | 107.6 Ų | 107.6 | 42% | 0.423 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 179.9 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | L52 Q53 L58 E59 E60 | L52-T56 WeakPolarHBondContact O-CB 3.27Å; L52-T56 PolarHBondContact O-N 3.35Å; L52-T56 PolarHBondContact O-OG1 2.88Å; Q53-T56 PolarHBondContact O-N 3.16Å; T56-L58 PolarHBondContact O-N 2.87Å; T56-E59 WeakPolarHBondContact O-CB 3.35Å; T56-E59 PolarHBondContact O-N 3.14Å; T56-E60 WeakPolarHBondContact O-CG 3.48Å; T56-E60 PolarHBondContact O-N 3.42Å |
| 57 | K | 97.4 | Very high | 94.4 | Very high | 144 Ų | 144 | 107.5 Ų | 107.5 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 176.3 | -176.6 | -177.1 | 175.9 | -171.9 | 0 | 112.3 | Q53 E54 L55 E59 E60 E61 | Q53-K57 WeakPolarHBondContact O-CB 3.38Å; Q53-K57 PolarHBondContact O-N 3.02Å; E54-K57 PolarHBondContact O-N 3.29Å; L55-K57 VanDerWaalsContact C-N 3.3Å; L55-K57 PolarHBondContact O-N 3.5Å; K57-E59 VanDerWaalsContact C-N 3.33Å; K57-E60 PolarHBondContact O-N 3.47Å; K57-E61 PolarHBondContact O-N 2.91Å |
| 58 | L | 98.2 | Very high | 95.2 | Very high | 83 Ų | 83 | 106.9 Ų | 106.9 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 175.1 | -82.8 | 170.9 | 0 | 0 | 0 | 111.8 | E54 L55 T56 E61 I62 | E54-L58 HydrophobicContact CG-CD1 4.43Å; E54-L58 WeakPolarHBondContact O-CB 3.31Å; E54-L58 WeakPolarHBondContact O-CG 3.42Å; E54-L58 PolarHBondContact O-N 2.8Å; L55-L58 WeakPolarHBondContact O-CB 3.39Å; L55-L58 PolarHBondContact O-N 3.44Å; L55-L58 VanDerWaalsContact O-N 3.16Å; T56-L58 PolarHBondContact O-N 2.87Å; L58-E61 PolarHBondContact O-N 2.81Å; L58-I62 WeakPolarHBondContact O-CB 3.5Å; L58-I62 WeakPolarHBondContact O-CD1 3.22Å; L58-I62 WeakPolarHBondContact O-CG1 3.5Å; L58-I62 PolarHBondContact O-N 3.27Å |
| 59 | E | 97.8 | Very high | 96.1 | Very high | 115 Ų | 115 | 104.5 Ų | 104.5 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 176 | -72.9 | 179.1 | 168.7 | 0 | 0 | 112 | L55 T56 K57 I62 S63 | L55-E59 WeakPolarHBondContact O-CG 3.49Å; L55-E59 PolarHBondContact O-N 2.85Å; T56-E59 WeakPolarHBondContact O-CB 3.35Å; T56-E59 PolarHBondContact O-N 3.14Å; K57-E59 VanDerWaalsContact C-N 3.33Å; E59-I62 PolarHBondContact O-N 2.98Å; E59-S63 VanDerWaalsContact O-CB 3.31Å; E59-S63 WeakPolarHBondContact O-CB 3.39Å; E59-S63 PolarHBondContact O-N 3.3Å |
| 60 | E | 97.9 | Very high | 96.7 | Very high | 126 Ų | 126 | 104.4 Ų | 104.4 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64 | -42.2 | 174.4 | -70.8 | -179.8 | 175.4 | 0 | 0 | 112.2 | T56 K57 S63 T64 | T56-E60 WeakPolarHBondContact O-CG 3.48Å; T56-E60 PolarHBondContact O-N 3.42Å; K57-E60 PolarHBondContact O-N 3.47Å; E60-S63 WeakPolarHBondContact O-CB 3.47Å; E60-S63 PolarHBondContact O-N 2.94Å; E60-T64 WeakPolarHBondContact O-CB 3.22Å; E60-T64 PolarHBondContact O-N 2.88Å; E60-T64 PolarHBondContact O-OG1 3.47Å |
| 61 | E | 98.2 | Very high | 97.2 | Very high | 105 Ų | 105 | 101.2 Ų | 101.2 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 177 | -166.9 | 173.8 | -177.3 | 0 | 0 | 110.9 | K57 L58 S63 T64 L65 | K57-E61 PolarHBondContact O-N 2.91Å; L58-E61 PolarHBondContact O-N 2.81Å; E61-S63 VanDerWaalsContact C-N 3.32Å; E61-S63 PolarHBondContact O-N 2.83Å; E61-T64 PolarHBondContact O-N 2.99Å; E61-L65 HydrophobicContact CG-CD1 4.13Å; E61-L65 HydrophobicContact CG-CG 4.39Å; E61-L65 WeakPolarHBondContact O-CB 3.44Å; E61-L65 WeakPolarHBondContact O-CG 3.49Å; E61-L65 PolarHBondContact O-N 3.03Å |
| 62 | I | 98.3 | Very high | 97.4 | Very high | 86 Ų | 86 | 102.7 Ų | 102.7 | 44% | 0.441 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 173.9 | -71.5 | 165.1 | 0 | 0 | 0 | 110.7 | L58 E59 L65 K66 | L58-I62 WeakPolarHBondContact O-CB 3.5Å; L58-I62 WeakPolarHBondContact O-CD1 3.22Å; L58-I62 WeakPolarHBondContact O-CG1 3.5Å; L58-I62 PolarHBondContact O-N 3.27Å; E59-I62 PolarHBondContact O-N 2.98Å; I62-L65 PolarHBondContact O-N 3.28Å; I62-K66 HydrophobicContact CG2-CD 4.14Å; I62-K66 WeakPolarHBondContact O-CB 3.3Å; I62-K66 VanDerWaalsContact O-CG 3.29Å; I62-K66 WeakPolarHBondContact O-CG 3.49Å; I62-K66 PolarHBondContact O-N 3.17Å |
| 63 | S | 98.3 | Very high | 97.6 | Very high | 73 Ų | 73 | 103.2 Ų | 103.2 | 51% | 0.51 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 178.4 | -173 | 0 | 0 | 0 | 0 | 111.1 | E59 E60 E61 L65 K66 Q67 | E59-S63 VanDerWaalsContact O-CB 3.31Å; E59-S63 WeakPolarHBondContact O-CB 3.39Å; E59-S63 PolarHBondContact O-N 3.3Å; E60-S63 WeakPolarHBondContact O-CB 3.47Å; E60-S63 PolarHBondContact O-N 2.94Å; E61-S63 VanDerWaalsContact C-N 3.32Å; E61-S63 PolarHBondContact O-N 2.83Å; S63-L65 PolarHBondContact O-N 3.39Å; S63-K66 WeakPolarHBondContact O-CB 3.35Å; S63-K66 PolarHBondContact O-N 3.48Å; S63-Q67 PolarHBondContact O-N 3.01Å |
| 64 | T | 98.3 | Very high | 97.7 | Very high | 78 Ų | 78 | 103.4 Ų | 103.4 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 177.9 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | E60 E61 K66 Q67 V68 | E60-T64 WeakPolarHBondContact O-CB 3.22Å; E60-T64 PolarHBondContact O-N 2.88Å; E60-T64 PolarHBondContact O-OG1 3.47Å; E61-T64 PolarHBondContact O-N 2.99Å; T64-K66 VanDerWaalsContact C-N 3.33Å; T64-K66 PolarHBondContact O-N 2.97Å; T64-Q67 WeakPolarHBondContact O-CB 3.28Å; T64-Q67 PolarHBondContact O-N 3.32Å; T64-Q67 VanDerWaalsContact O-N 3.14Å; T64-V68 HydrophobicContact CG2-CG2 4.49Å; T64-V68 WeakPolarHBondContact O-CG2 3.35Å; T64-V68 PolarHBondContact O-N 3.28Å |
| 65 | L | 98.4 | Very high | 97.7 | Very high | 104 Ų | 104 | 102.1 Ų | 102.1 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 178.3 | -72.2 | 174.5 | 0 | 0 | 0 | 111.7 | E61 I62 S63 V68 L69 | E61-L65 HydrophobicContact CG-CD1 4.13Å; E61-L65 HydrophobicContact CG-CG 4.39Å; E61-L65 WeakPolarHBondContact O-CB 3.44Å; E61-L65 WeakPolarHBondContact O-CG 3.49Å; E61-L65 PolarHBondContact O-N 3.03Å; I62-L65 PolarHBondContact O-N 3.28Å; S63-L65 PolarHBondContact O-N 3.39Å; L65-V68 PolarHBondContact O-N 3.26Å; L65-L69 VanDerWaalsContact O-CB 3.28Å; L65-L69 WeakPolarHBondContact O-CB 3.29Å; L65-L69 PolarHBondContact O-N 2.89Å |
| 66 | K | 98.4 | Very high | 97.5 | Very high | 132 Ų | 132 | 103.1 Ų | 103.1 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.7 | -44.5 | 172.7 | -75.7 | 171.5 | -179.9 | 172.7 | 0 | 111.5 | I62 S63 T64 L69 L70 | I62-K66 HydrophobicContact CG2-CD 4.14Å; I62-K66 WeakPolarHBondContact O-CB 3.3Å; I62-K66 VanDerWaalsContact O-CG 3.29Å; I62-K66 WeakPolarHBondContact O-CG 3.49Å; I62-K66 PolarHBondContact O-N 3.17Å; S63-K66 WeakPolarHBondContact O-CB 3.35Å; S63-K66 PolarHBondContact O-N 3.48Å; T64-K66 VanDerWaalsContact C-N 3.33Å; T64-K66 PolarHBondContact O-N 2.97Å; K66-L69 PolarHBondContact O-N 3.34Å; K66-L70 VanDerWaalsContact O-CG 3.3Å; K66-L70 WeakPolarHBondContact O-CG 3.43Å; K66-L70 PolarHBondContact O-N 3.49Å |
| 67 | Q | 98.4 | Very high | 97.2 | Very high | 140 Ų | 140 | 102.4 Ų | 102.4 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 178.2 | -174.3 | 178.5 | -9.2 | 0 | 0 | 111.9 | S63 T64 L69 L70 S71 | S63-Q67 PolarHBondContact O-N 3.01Å; T64-Q67 WeakPolarHBondContact O-CB 3.28Å; T64-Q67 PolarHBondContact O-N 3.32Å; T64-Q67 VanDerWaalsContact O-N 3.14Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L70 PolarHBondContact O-N 2.94Å; Q67-S71 WeakPolarHBondContact O-CB 3.48Å; Q67-S71 PolarHBondContact O-N 3.34Å |
| 68 | V | 98.6 | Very high | 96.9 | Very high | 75 Ų | 75 | 99.6 Ų | 99.6 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 174.7 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | T64 L65 S71 K72 | T64-V68 HydrophobicContact CG2-CG2 4.49Å; T64-V68 WeakPolarHBondContact O-CG2 3.35Å; T64-V68 PolarHBondContact O-N 3.28Å; L65-V68 PolarHBondContact O-N 3.26Å; V68-S71 WeakPolarHBondContact O-CB 3.38Å; V68-S71 PolarHBondContact O-N 2.91Å; V68-K72 HydrophobicContact CG1-CG 4.34Å; V68-K72 VanDerWaalsContact O-CG 3.3Å; V68-K72 WeakPolarHBondContact O-CG 2.96Å; V68-K72 PolarHBondContact O-N 3.49Å |
| 69 | L | 98.4 | Very high | 96.7 | Very high | 97 Ų | 97 | 100.8 Ų | 100.8 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -50.7 | 178.4 | -178.6 | 62.9 | 0 | 0 | 0 | 111.2 | L65 K66 Q67 S71 K72 E73 | L65-L69 VanDerWaalsContact O-CB 3.28Å; L65-L69 WeakPolarHBondContact O-CB 3.29Å; L65-L69 PolarHBondContact O-N 2.89Å; K66-L69 PolarHBondContact O-N 3.34Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; L69-S71 VanDerWaalsContact C-N 3.27Å; L69-S71 PolarHBondContact O-N 2.92Å; L69-K72 CarbonylContact O-C 3.5Å; L69-K72 WeakPolarHBondContact O-CA 3.4Å; L69-K72 WeakPolarHBondContact O-CB 3.3Å; L69-K72 PolarHBondContact O-N 2.9Å; L69-E73 HydrophobicContact CD1-CG 4.32Å; L69-E73 HydrophobicContact CG-CG 4.39Å; L69-E73 WeakPolarHBondContact O-CG 3.49Å; L69-E73 PolarHBondContact O-N 3.41Å |
| 70 | L | 97.9 | Very high | 96.4 | Very high | 112 Ų | 112 | 99.2 Ų | 99.2 | 59% | 0.586 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.4 | -42 | 176.6 | -71.4 | 171.5 | 0 | 0 | 0 | 111.7 | K66 Q67 K72 E73 K74 | K66-L70 VanDerWaalsContact O-CG 3.3Å; K66-L70 WeakPolarHBondContact O-CG 3.43Å; K66-L70 PolarHBondContact O-N 3.49Å; Q67-L70 PolarHBondContact O-N 2.94Å; L70-K72 VanDerWaalsContact C-N 3.34Å; L70-K72 PolarHBondContact O-N 3.43Å; L70-E73 PolarHBondContact O-N 3.36Å; L70-K74 WeakPolarHBondContact O-CB 3.4Å; L70-K74 PolarHBondContact O-N 2.79Å |
| 71 | S | 97.8 | Very high | 96 | Very high | 61 Ų | 61 | 99.7 Ų | 99.7 | 43% | 0.427 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 174.3 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | Q67 V68 L69 Q75 | Q67-S71 WeakPolarHBondContact O-CB 3.48Å; Q67-S71 PolarHBondContact O-N 3.34Å; V68-S71 WeakPolarHBondContact O-CB 3.38Å; V68-S71 PolarHBondContact O-N 2.91Å; L69-S71 VanDerWaalsContact C-N 3.27Å; L69-S71 PolarHBondContact O-N 2.92Å; S71-Q75 WeakPolarHBondContact O-CG 3.37Å; S71-Q75 PolarHBondContact O-N 3.38Å |
| 72 | K | 97.6 | Very high | 95.5 | Very high | 118 Ų | 118 | 103 Ų | 103 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.4 | -39.9 | 178.1 | -70.7 | -67.7 | 177.6 | -168.5 | 0 | 113.2 | V68 L69 L70 K74 Q75 H76 | V68-K72 HydrophobicContact CG1-CG 4.34Å; V68-K72 VanDerWaalsContact O-CG 3.3Å; V68-K72 WeakPolarHBondContact O-CG 2.96Å; V68-K72 PolarHBondContact O-N 3.49Å; L69-K72 CarbonylContact O-C 3.5Å; L69-K72 WeakPolarHBondContact O-CA 3.4Å; L69-K72 WeakPolarHBondContact O-CB 3.3Å; L69-K72 PolarHBondContact O-N 2.9Å; L70-K72 VanDerWaalsContact C-N 3.34Å; L70-K72 PolarHBondContact O-N 3.43Å; K72-K74 VanDerWaalsContact C-N 3.32Å; K72-K74 PolarHBondContact O-N 3.4Å; K72-Q75 PolarHBondContact O-N 2.81Å; K72-H76 WeakPolarHBondContact O-CB 3.41Å; K72-H76 PolarHBondContact O-N 3.1Å |
| 73 | E | 95.4 | Very high | 95 | Very high | 105 Ų | 105 | 105 Ų | 105 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 175 | -73.5 | 179 | 162.3 | 0 | 0 | 111 | L69 L70 H76 A77 | L69-E73 HydrophobicContact CD1-CG 4.32Å; L69-E73 HydrophobicContact CG-CG 4.39Å; L69-E73 WeakPolarHBondContact O-CG 3.49Å; L69-E73 PolarHBondContact O-N 3.41Å; L70-E73 PolarHBondContact O-N 3.36Å; E73-H76 PolarHBondContact O-N 2.85Å; E73-A77 WeakPolarHBondContact O-CB 3.35Å; E73-A77 PolarHBondContact O-N 3.24Å |
| 74 | K | 95.9 | Very high | 94.2 | Very high | 134 Ų | 134 | 103.4 Ų | 103.4 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.6 | -49.5 | 172.8 | -179 | 178.8 | 172.6 | 179.6 | 0 | 111.8 | L70 K72 H76 A77 E78 | L70-K74 WeakPolarHBondContact O-CB 3.4Å; L70-K74 PolarHBondContact O-N 2.79Å; K72-K74 VanDerWaalsContact C-N 3.32Å; K72-K74 PolarHBondContact O-N 3.4Å; K74-H76 VanDerWaalsContact C-N 3.28Å; K74-H76 PolarHBondContact O-N 2.92Å; K74-A77 PolarHBondContact O-N 3.37Å; K74-E78 WeakPolarHBondContact CE-OE1 3.49Å; K74-E78 WeakPolarHBondContact O-CG 3.39Å; K74-E78 PolarHBondContact O-N 3.47Å |
| 75 | Q | 95.7 | Very high | 93.5 | Very high | 98 Ų | 98 | 102.8 Ų | 102.8 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.3 | -41 | 177.1 | -76.6 | -172.9 | -18.1 | 0 | 0 | 112.2 | S71 K72 E78 L79 | S71-Q75 WeakPolarHBondContact O-CG 3.37Å; S71-Q75 PolarHBondContact O-N 3.38Å; K72-Q75 PolarHBondContact O-N 2.81Å; Q75-E78 PolarHBondContact O-N 2.97Å; Q75-L79 WeakPolarHBondContact O-CB 3.48Å; Q75-L79 PolarHBondContact O-N 3.34Å |
| 76 | H | 93.8 | Very high | 92.8 | Very high | 110 Ų | 110 | 100.6 Ų | 100.6 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 177.4 | 177.3 | -111.3 | 0 | 0 | 0 | 111.8 | K72 E73 K74 L79 K80 | K72-H76 WeakPolarHBondContact O-CB 3.41Å; K72-H76 PolarHBondContact O-N 3.1Å; E73-H76 PolarHBondContact O-N 2.85Å; K74-H76 VanDerWaalsContact C-N 3.28Å; K74-H76 PolarHBondContact O-N 2.92Å; H76-L79 PolarHBondContact O-N 3.08Å; H76-K80 WeakPolarHBondContact CE1-CE 3.45Å; H76-K80 WeakPolarHBondContact O-CB 3.39Å; H76-K80 WeakPolarHBondContact O-CG 3.47Å; H76-K80 PolarHBondContact O-N 2.81Å |
| 77 | A | 91.2 | Very high | 91.9 | Very high | 54 Ų | 54 | 99.4 Ų | 99.4 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E73 K74 L79 K80 Q81 | E73-A77 WeakPolarHBondContact O-CB 3.35Å; E73-A77 PolarHBondContact O-N 3.24Å; K74-A77 PolarHBondContact O-N 3.37Å; A77-L79 PolarHBondContact O-N 3.23Å; A77-K80 WeakPolarHBondContact O-CB 3.34Å; A77-K80 PolarHBondContact O-N 2.96Å; A77-Q81 WeakPolarHBondContact O-CB 3.36Å; A77-Q81 PolarHBondContact O-N 3.48Å |
| 78 | E | 91.2 | Very high | 91.2 | Very high | 86 Ų | 86 | 99 Ų | 99 | 40% | 0.402 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.3 | -73.1 | 176.1 | -174.8 | 0 | 0 | 112 | K74 Q75 Q81 K82 | K74-E78 WeakPolarHBondContact CE-OE1 3.49Å; K74-E78 WeakPolarHBondContact O-CG 3.39Å; K74-E78 PolarHBondContact O-N 3.47Å; Q75-E78 PolarHBondContact O-N 2.97Å; E78-Q81 PolarHBondContact O-N 3.47Å; E78-K82 WeakPolarHBondContact O-CG 3.47Å; E78-K82 PolarHBondContact O-N 3.37Å |
| 79 | L | 93.7 | Very high | 90.4 | Very high | 107 Ų | 107 | 96.8 Ų | 96.8 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67 | -42.4 | 178 | -154.5 | 72.5 | 0 | 0 | 0 | 111.3 | Q75 H76 A77 Q81 K82 L83 | Q75-L79 WeakPolarHBondContact O-CB 3.48Å; Q75-L79 PolarHBondContact O-N 3.34Å; H76-L79 PolarHBondContact O-N 3.08Å; A77-L79 PolarHBondContact O-N 3.23Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; L79-Q81 PolarHBondContact O-N 3.07Å; L79-K82 PolarHBondContact O-N 2.6Å; L79-L83 WeakPolarHBondContact O-CG 3.35Å; L79-L83 PolarHBondContact O-N 2.93Å |
| 80 | K | 91.5 | Very high | 89.8 | Confident | 82 Ų | 82 | 96.6 Ų | 96.6 | 36% | 0.357 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.3 | -46.3 | 171.4 | -88.8 | -171.3 | 170.9 | -171.3 | 0 | 111.9 | H76 A77 L83 G84 I85 | H76-K80 WeakPolarHBondContact CE1-CE 3.45Å; H76-K80 WeakPolarHBondContact O-CB 3.39Å; H76-K80 WeakPolarHBondContact O-CG 3.47Å; H76-K80 PolarHBondContact O-N 2.81Å; A77-K80 WeakPolarHBondContact O-CB 3.34Å; A77-K80 PolarHBondContact O-N 2.96Å; K80-L83 CarbonylContact O-C 3.58Å; K80-L83 PolarHBondContact O-N 2.83Å; K80-G84 PolarHBondContact O-N 2.93Å; K80-G84 VanDerWaalsContact O-N 3.1Å; K80-I85 CarbonylContact C-O 3.56Å; K80-I85 HydrophobicContact CB-CB 4.38Å; K80-I85 WeakPolarHBondContact CB-O 3.29Å; K80-I85 HydrophobicContact CG-CB 4.41Å; K80-I85 CarbonylContact O-C 3.58Å; K80-I85 WeakPolarHBondContact O-CA 3.47Å; K80-I85 PolarHBondContact O-N 2.98Å |
| 81 | Q | 88.3 | Confident | 89.3 | Confident | 136 Ų | 136 | 97.8 Ų | 97.8 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 175.8 | -176.9 | -175.4 | -4.4 | 0 | 0 | 112.1 | A77 E78 L79 L83 G84 | A77-Q81 WeakPolarHBondContact O-CB 3.36Å; A77-Q81 PolarHBondContact O-N 3.48Å; E78-Q81 PolarHBondContact O-N 3.47Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; L79-Q81 PolarHBondContact O-N 3.07Å; Q81-L83 VanDerWaalsContact C-N 3.25Å; Q81-L83 PolarHBondContact O-N 2.98Å; Q81-G84 WeakPolarHBondContact O-CA 3.3Å; Q81-G84 PolarHBondContact O-N 2.9Å |
| 82 | K | 89.4 | Confident | 88.9 | Confident | 176 Ų | 176 | 103.8 Ų | 103.8 | 77% | 0.765 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.4 | -34.2 | 176 | -75.7 | -175.7 | 179.1 | -166.7 | 0 | 112.6 | E78 L79 G84 | E78-K82 WeakPolarHBondContact O-CG 3.47Å; E78-K82 PolarHBondContact O-N 3.37Å; L79-K82 PolarHBondContact O-N 2.6Å; K82-G84 PolarHBondContact O-N 3.22Å |
| 83 | L | 86.6 | Confident | 88.4 | Confident | 126 Ų | 126 | 102.9 Ų | 102.9 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -1.7 | 173.5 | -65.2 | 174.1 | 0 | 0 | 0 | 113.1 | L79 K80 Q81 I85 | L79-L83 WeakPolarHBondContact O-CG 3.35Å; L79-L83 PolarHBondContact O-N 2.93Å; K80-L83 CarbonylContact O-C 3.58Å; K80-L83 PolarHBondContact O-N 2.83Å; Q81-L83 VanDerWaalsContact C-N 3.25Å; Q81-L83 PolarHBondContact O-N 2.98Å; L83-I85 HydrophobicContact CB-CD1 4.12Å; L83-I85 HydrophobicContact CB-CG1 4.12Å; L83-I85 HydrophobicContact CD1-CD1 4.43Å; L83-I85 PolarHBondContact O-N 3.28Å |
| 84 | G | 82.7 | Confident | 88.2 | Confident | 40 Ų | 40 | 103.3 Ų | 103.3 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 13 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K80 Q81 K82 T86 S89 | K80-G84 PolarHBondContact O-N 2.93Å; K80-G84 VanDerWaalsContact O-N 3.1Å; Q81-G84 WeakPolarHBondContact O-CA 3.3Å; Q81-G84 PolarHBondContact O-N 2.9Å; K82-G84 PolarHBondContact O-N 3.22Å; G84-T86 VanDerWaalsContact C-N 3.32Å; G84-T86 PolarHBondContact O-N 3.37Å; G84-S89 WeakPolarHBondContact O-CB 3.34Å; G84-S89 PolarHBondContact O-OG 3.05Å |
| 85 | I | 81.9 | Confident | 88 | Confident | 65 Ų | 65 | 103.1 Ų | 103.1 | 33% | 0.333 | 52% | 0.52 | S | S | . | . | trans | -88.7 | 72.9 | 174.7 | -51.7 | 172.4 | 0 | 0 | 0 | 107.8 | K80 L83 E90 | K80-I85 CarbonylContact C-O 3.56Å; K80-I85 HydrophobicContact CB-CB 4.38Å; K80-I85 WeakPolarHBondContact CB-O 3.29Å; K80-I85 HydrophobicContact CG-CB 4.41Å; K80-I85 CarbonylContact O-C 3.58Å; K80-I85 WeakPolarHBondContact O-CA 3.47Å; K80-I85 PolarHBondContact O-N 2.98Å; L83-I85 HydrophobicContact CB-CD1 4.12Å; L83-I85 HydrophobicContact CB-CG1 4.12Å; L83-I85 HydrophobicContact CD1-CD1 4.43Å; L83-I85 PolarHBondContact O-N 3.28Å; I85-E90 HydrophobicContact CG2-CG 3.9Å; I85-E90 WeakPolarHBondContact CG2-OE1 3.43Å | ||
| 86 | T | 83.9 | Confident | 87.7 | Confident | 58 Ų | 58 | 101.2 Ų | 101.2 | 36% | 0.356 | 52% | 0.518 | S | S | . | . | trans | -97.8 | 146.2 | 176 | -45.4 | 0 | 0 | 0 | 0 | 107.6 | G84 L88 S89 E90 | G84-T86 VanDerWaalsContact C-N 3.32Å; G84-T86 PolarHBondContact O-N 3.37Å; T86-L88 PolarHBondContact O-N 3.41Å; T86-S89 PolarHBondContact N-OG 2.85Å; T86-S89 PolarHBondContact O-N 2.91Å; T86-S89 PolarHBondContact O-OG 3Å; T86-E90 PolarHBondContact O-N 3.37Å | ||
| 87 | P | 80.8 | Confident | 87.6 | Confident | 108 Ų | 108 | 104.1 Ų | 104.1 | 70% | 0.701 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -49.4 | -34.8 | 177.8 | -30.7 | 35.5 | 0 | 0 | 0 | 113.9 | F91 | P87-F91 WeakPolarHBondContact O-CB 3.29Å; P87-F91 PolarHBondContact O-N 2.97Å |
| 88 | L | 82.7 | Confident | 87.5 | Confident | 131 Ų | 131 | 103.4 Ų | 103.4 | 69% | 0.686 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.3 | -37 | 175.3 | -174.1 | 61.9 | 0 | 0 | 0 | 113.7 | T86 R92 | T86-L88 PolarHBondContact O-N 3.41Å; L88-R92 WeakPolarHBondContact O-CB 3.46Å; L88-R92 PolarHBondContact O-N 3.08Å |
| 89 | S | 82.3 | Confident | 87.3 | Confident | 29 Ų | 29 | 105.2 Ų | 105.2 | 20% | 0.203 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -73.3 | -37.1 | 177.9 | 67.8 | 0 | 0 | 0 | 0 | 111 | G84 T86 R92 N93 | G84-S89 WeakPolarHBondContact O-CB 3.34Å; G84-S89 PolarHBondContact O-OG 3.05Å; T86-S89 PolarHBondContact N-OG 2.85Å; T86-S89 PolarHBondContact O-N 2.91Å; T86-S89 PolarHBondContact O-OG 3Å; S89-R92 PolarHBondContact O-N 3.44Å; S89-N93 WeakPolarHBondContact O-CB 3.45Å; S89-N93 PolarHBondContact O-N 3.38Å; S89-N93 PolarHBondContact O-ND2 3.23Å |
| 90 | E | 86.1 | Confident | 87 | Confident | 92 Ų | 92 | 105.1 Ų | 105.1 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 171.5 | -67.4 | -167.5 | 128 | 0 | 0 | 111.3 | I85 T86 N93 N94 | I85-E90 HydrophobicContact CG2-CG 3.9Å; I85-E90 WeakPolarHBondContact CG2-OE1 3.43Å; T86-E90 PolarHBondContact O-N 3.37Å; E90-N93 PolarHBondContact O-N 2.82Å; E90-N94 WeakPolarHBondContact O-CB 3.45Å; E90-N94 PolarHBondContact O-N 2.9Å; E90-N94 PolarHBondContact O-ND2 3.33Å |
| 91 | F | 87.3 | Confident | 86.9 | Confident | 138 Ų | 138 | 105.7 Ų | 105.7 | 61% | 0.605 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.6 | -50.7 | 174.6 | 175.2 | -99.8 | 0 | 0 | 0 | 111.9 | P87 N93 N94 F95 | P87-F91 WeakPolarHBondContact O-CB 3.29Å; P87-F91 PolarHBondContact O-N 2.97Å; F91-N93 VanDerWaalsContact C-N 3.31Å; F91-N93 PolarHBondContact O-N 3.4Å; F91-N94 PolarHBondContact O-N 2.82Å; F91-F95 WeakPolarHBondContact O-CB 3.36Å; F91-F95 PolarHBondContact O-N 3.44Å |
| 92 | R | 88.1 | Confident | 86.6 | Confident | 186 Ų | 186 | 103.8 Ų | 103.8 | 70% | 0.702 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.1 | -42.4 | 178.3 | 177 | -179.5 | 173.3 | 139.9 | 0.1 | 111.7 | L88 S89 F95 S96 | L88-R92 WeakPolarHBondContact O-CB 3.46Å; L88-R92 PolarHBondContact O-N 3.08Å; S89-R92 PolarHBondContact O-N 3.44Å; R92-F95 PolarHBondContact O-N 3.4Å; R92-S96 WeakPolarHBondContact O-CB 3.5Å; R92-S96 PolarHBondContact O-N 2.85Å |
| 93 | N | 88.2 | Confident | 86.1 | Confident | 99 Ų | 99 | 99.6 Ų | 99.6 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | -179.5 | -71.4 | -25.6 | 0 | 0 | 0 | 111.5 | S89 E90 F91 R97 | S89-N93 WeakPolarHBondContact O-CB 3.45Å; S89-N93 PolarHBondContact O-N 3.38Å; S89-N93 PolarHBondContact O-ND2 3.23Å; E90-N93 PolarHBondContact O-N 2.82Å; F91-N93 VanDerWaalsContact C-N 3.31Å; F91-N93 PolarHBondContact O-N 3.4Å; N93-R97 VanDerWaalsContact O-CB 3.27Å; N93-R97 WeakPolarHBondContact O-CB 3.23Å; N93-R97 PolarHBondContact O-N 3.3Å |
| 94 | N | 91.6 | Very high | 85.5 | Confident | 114 Ų | 114 | 96.4 Ų | 96.4 | 61% | 0.61 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.5 | -43.9 | 174.5 | -80.8 | -74.7 | 0 | 0 | 0 | 111.7 | E90 F91 R97 G98 | E90-N94 WeakPolarHBondContact O-CB 3.45Å; E90-N94 PolarHBondContact O-N 2.9Å; E90-N94 PolarHBondContact O-ND2 3.33Å; F91-N94 PolarHBondContact O-N 2.82Å; N94-R97 PolarHBondContact O-N 3.37Å; N94-G98 PolarHBondContact O-N 3.25Å |
| 95 | F | 90.2 | Very high | 85.5 | Confident | 130 Ų | 130 | 96.8 Ų | 96.8 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.6 | -46.2 | 177.2 | -175.7 | -95.6 | 0 | 0 | 0 | 112 | F91 R92 R97 G98 W99 | F91-F95 WeakPolarHBondContact O-CB 3.36Å; F91-F95 PolarHBondContact O-N 3.44Å; R92-F95 PolarHBondContact O-N 3.4Å; F95-R97 VanDerWaalsContact C-N 3.28Å; F95-R97 PolarHBondContact O-N 3.34Å; F95-G98 PolarHBondContact O-N 3.08Å; F95-W99 VanDerWaalsContact O-CB 3.23Å; F95-W99 WeakPolarHBondContact O-CB 3.3Å; F95-W99 PolarHBondContact O-N 3.41Å |
| 96 | S | 90.4 | Very high | 84.9 | Confident | 59 Ų | 59 | 98.5 Ų | 98.5 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | R92 Q100 | R92-S96 WeakPolarHBondContact O-CB 3.5Å; R92-S96 PolarHBondContact O-N 2.85Å; S96-Q100 WeakPolarHBondContact O-CB 3.43Å; S96-Q100 WeakPolarHBondContact O-CG 3.38Å; S96-Q100 PolarHBondContact O-N 3.04Å |
| 97 | R | 90.7 | Very high | 84.2 | Confident | 170 Ų | 170 | 98.7 Ų | 98.7 | 64% | 0.642 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68 | -50.8 | 175.7 | -174.5 | -178.2 | -63.8 | -97.8 | 0.4 | 111.1 | N93 N94 F95 W99 Q100 D101 | N93-R97 VanDerWaalsContact O-CB 3.27Å; N93-R97 WeakPolarHBondContact O-CB 3.23Å; N93-R97 PolarHBondContact O-N 3.3Å; N94-R97 PolarHBondContact O-N 3.37Å; F95-R97 VanDerWaalsContact C-N 3.28Å; F95-R97 PolarHBondContact O-N 3.34Å; R97-W99 VanDerWaalsContact C-N 3.26Å; R97-W99 PolarHBondContact O-N 3.34Å; R97-Q100 PolarHBondContact O-N 2.84Å; R97-Q100 VanDerWaalsContact O-N 3.13Å; R97-D101 WeakPolarHBondContact O-CB 3.26Å; R97-D101 PolarHBondContact O-N 3.37Å |
| 98 | G | 90.5 | Very high | 83.6 | Confident | 39 Ų | 39 | 98.9 Ų | 98.9 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.3 | -36.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N94 F95 M102 | N94-G98 PolarHBondContact O-N 3.25Å; F95-G98 PolarHBondContact O-N 3.08Å; G98-M102 VanDerWaalsContact O-CB 3.24Å; G98-M102 WeakPolarHBondContact O-CB 3.38Å; G98-M102 PolarHBondContact O-N 2.92Å |
| 99 | W | 86.9 | Confident | 83.2 | Confident | 124 Ų | 124 | 97.2 Ų | 97.2 | 47% | 0.47 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.1 | -47.6 | 173.3 | 179.5 | -96.1 | 0 | 0 | 0 | 112.2 | F95 R97 D101 M102 Q103 | F95-W99 VanDerWaalsContact O-CB 3.23Å; F95-W99 WeakPolarHBondContact O-CB 3.3Å; F95-W99 PolarHBondContact O-N 3.41Å; R97-W99 VanDerWaalsContact C-N 3.26Å; R97-W99 PolarHBondContact O-N 3.34Å; W99-D101 VanDerWaalsContact C-N 3.35Å; W99-M102 HydrophobicContact CE3-CE 3.66Å; W99-M102 HydrophobicContact CH2-CE 4.25Å; W99-M102 HydrophobicContact CZ3-CE 3.47Å; W99-M102 VanDerWaalsContact CZ3-CE 3.47Å; W99-M102 PolarHBondContact O-N 2.78Å; W99-Q103 WeakPolarHBondContact O-CB 3.34Å; W99-Q103 PolarHBondContact O-N 3.36Å |
| 100 | Q | 87.2 | Confident | 82.8 | Confident | 105 Ų | 105 | 102.3 Ų | 102.3 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 176.1 | -73.5 | -74.6 | -11.5 | 0 | 0 | 111.7 | S96 R97 Q103 S104 | S96-Q100 WeakPolarHBondContact O-CB 3.43Å; S96-Q100 WeakPolarHBondContact O-CG 3.38Å; S96-Q100 PolarHBondContact O-N 3.04Å; R97-Q100 PolarHBondContact O-N 2.84Å; R97-Q100 VanDerWaalsContact O-N 3.13Å; Q100-Q103 PolarHBondContact O-N 3.32Å; Q100-S104 WeakPolarHBondContact O-CB 3.21Å; Q100-S104 PolarHBondContact O-N 3.03Å; Q100-S104 PolarHBondContact O-OG 3.47Å |
| 101 | D | 88.9 | Confident | 82 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 177.4 | -69 | -13.9 | 0 | 0 | 0 | 110.5 | R97 W99 S104 S105 | R97-D101 WeakPolarHBondContact O-CB 3.26Å; R97-D101 PolarHBondContact O-N 3.37Å; W99-D101 VanDerWaalsContact C-N 3.35Å; D101-S104 WeakPolarHBondContact CA-OG 3.28Å; D101-S104 PolarHBondContact O-OG 3.38Å; D101-S105 VanDerWaalsContact O-CB 3.26Å; D101-S105 WeakPolarHBondContact O-CB 3.34Å; D101-S105 PolarHBondContact O-N 2.79Å |
| 102 | M | 81.6 | Confident | 80.9 | Confident | 96 Ų | 96 | 98 Ų | 98 | 47% | 0.473 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 174.8 | -171.9 | 177.3 | 76.2 | 0 | 0 | 111.9 | G98 W99 S104 S105 Y108 | G98-M102 VanDerWaalsContact O-CB 3.24Å; G98-M102 WeakPolarHBondContact O-CB 3.38Å; G98-M102 PolarHBondContact O-N 2.92Å; W99-M102 HydrophobicContact CE3-CE 3.66Å; W99-M102 HydrophobicContact CH2-CE 4.25Å; W99-M102 HydrophobicContact CZ3-CE 3.47Å; W99-M102 VanDerWaalsContact CZ3-CE 3.47Å; W99-M102 PolarHBondContact O-N 2.78Å; M102-S104 VanDerWaalsContact C-N 3.33Å; M102-S104 PolarHBondContact O-N 2.77Å; M102-S105 WeakPolarHBondContact O-CB 3.16Å; M102-S105 PolarHBondContact O-N 3Å; M102-Y108 WeakPolarHBondContact O-CB 3.21Å |
| 103 | Q | 78.5 | Confident | 80 | Confident | 89 Ų | 89 | 94.5 Ų | 94.5 | 42% | 0.416 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -36.7 | 178.2 | -178.4 | -179.6 | -18.2 | 0 | 0 | 112.3 | W99 Q100 Y108 | W99-Q103 WeakPolarHBondContact O-CB 3.34Å; W99-Q103 PolarHBondContact O-N 3.36Å; Q100-Q103 PolarHBondContact O-N 3.32Å; Q103-Y108 HydrophobicContact CG-CD1 4.5Å; Q103-Y108 HydrophobicContact CG-CE1 4.22Å; Q103-Y108 WeakPolarHBondContact O-CD1 3.39Å |
| 104 | S | 75.4 | Confident | 78.9 | Confident | 58 Ų | 58 | 94.3 Ų | 94.3 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -83.8 | -18 | -178.7 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | Q100 D101 M102 T106 | Q100-S104 WeakPolarHBondContact O-CB 3.21Å; Q100-S104 PolarHBondContact O-N 3.03Å; Q100-S104 PolarHBondContact O-OG 3.47Å; D101-S104 WeakPolarHBondContact CA-OG 3.28Å; D101-S104 PolarHBondContact O-OG 3.38Å; M102-S104 VanDerWaalsContact C-N 3.33Å; M102-S104 PolarHBondContact O-N 2.77Å; S104-T106 PolarHBondContact O-N 2.9Å |
| 105 | S | 82.3 | Confident | 77.8 | Confident | 49 Ų | 49 | 94.8 Ų | 94.8 | 34% | 0.343 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -54.7 | 135 | 177 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | D101 M102 A107 Y108 K109 | D101-S105 VanDerWaalsContact O-CB 3.26Å; D101-S105 WeakPolarHBondContact O-CB 3.34Å; D101-S105 PolarHBondContact O-N 2.79Å; M102-S105 WeakPolarHBondContact O-CB 3.16Å; M102-S105 PolarHBondContact O-N 3Å; S105-A107 PolarHBondContact O-N 3Å; S105-A107 PolarHBondContact OG-N 2.68Å; S105-Y108 PolarHBondContact O-N 2.84Å; S105-Y108 VanDerWaalsContact O-N 3.14Å; S105-K109 PolarHBondContact O-N 3.38Å |
| 106 | T | 68.8 | Low | 76.8 | Confident | 100 Ų | 100 | 91.8 Ų | 91.8 | 61% | 0.613 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60 | -26.7 | 176.8 | 39.2 | 0 | 0 | 0 | 0 | 112.5 | S104 K110 | S104-T106 PolarHBondContact O-N 2.9Å; T106-K110 WeakPolarHBondContact O-CB 3.23Å; T106-K110 WeakPolarHBondContact O-CG 3.27Å; T106-K110 PolarHBondContact O-N 3.36Å |
| 107 | A | 69.8 | Low | 75.5 | Confident | 63 Ų | 63 | 92.5 Ų | 92.5 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.7 | -49.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S105 K110 T111 | S105-A107 PolarHBondContact O-N 3Å; S105-A107 PolarHBondContact OG-N 2.68Å; A107-K110 PolarHBondContact O-N 3.34Å; A107-T111 WeakPolarHBondContact O-CB 3.19Å; A107-T111 PolarHBondContact O-N 3.37Å; A107-T111 PolarHBondContact O-OG1 3.28Å |
| 108 | Y | 67.9 | Low | 74 | Confident | 111 Ų | 111 | 86.7 Ų | 86.7 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 175.6 | -178.1 | -95.3 | 0 | 0 | 0 | 111.4 | M102 Q103 S105 T111 S112 | M102-Y108 WeakPolarHBondContact O-CB 3.21Å; Q103-Y108 HydrophobicContact CG-CD1 4.5Å; Q103-Y108 HydrophobicContact CG-CE1 4.22Å; Q103-Y108 WeakPolarHBondContact O-CD1 3.39Å; S105-Y108 PolarHBondContact O-N 2.84Å; S105-Y108 VanDerWaalsContact O-N 3.14Å; Y108-T111 PolarHBondContact O-N 3.41Å; Y108-S112 WeakPolarHBondContact O-CA 3.31Å; Y108-S112 WeakPolarHBondContact O-CB 3.34Å; Y108-S112 PolarHBondContact O-N 2.78Å; Y108-S112 PolarHBondContact O-OG 2.76Å; Y108-S112 VanDerWaalsContact O-OG 3.13Å |
| 109 | K | 75 | Confident | 72.5 | Confident | 96 Ų | 96 | 86.3 Ų | 86.3 | 42% | 0.417 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.2 | -51.5 | 175.5 | -75 | -179.9 | 172.6 | 168.3 | 0 | 111.7 | S105 T111 S112 E113 | S105-K109 PolarHBondContact O-N 3.38Å; K109-T111 PolarHBondContact O-N 3.42Å; K109-S112 WeakPolarHBondContact CA-OG 3.44Å; K109-S112 CarbonylContact O-C 3.59Å; K109-S112 PolarHBondContact O-N 2.79Å; K109-S112 PolarHBondContact O-OG 2.8Å; K109-E113 VanDerWaalsContact O-CB 3.24Å; K109-E113 WeakPolarHBondContact O-CB 3.35Å; K109-E113 VanDerWaalsContact O-CG 3.23Å; K109-E113 WeakPolarHBondContact O-CG 3.11Å; K109-E113 PolarHBondContact O-N 3.32Å |
| 110 | K | 73.6 | Confident | 71.5 | Confident | 137 Ų | 137 | 87 Ų | 87 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.7 | -38 | 178.3 | -74.7 | 179.8 | 179.3 | -166.1 | 0 | 112.8 | T106 A107 T114 | T106-K110 WeakPolarHBondContact O-CB 3.23Å; T106-K110 WeakPolarHBondContact O-CG 3.27Å; T106-K110 PolarHBondContact O-N 3.36Å; A107-K110 PolarHBondContact O-N 3.34Å; K110-T114 WeakPolarHBondContact O-CB 3.18Å; K110-T114 PolarHBondContact O-N 3.47Å; K110-T114 PolarHBondContact O-OG1 3.42Å |
| 111 | T | 69 | Low | 70.3 | Confident | 94 Ų | 94 | 90 Ų | 90 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.5 | -39.5 | 174.7 | -61 | 0 | 0 | 0 | 0 | 111.6 | A107 Y108 K109 T114 L115 | A107-T111 WeakPolarHBondContact O-CB 3.19Å; A107-T111 PolarHBondContact O-N 3.37Å; A107-T111 PolarHBondContact O-OG1 3.28Å; Y108-T111 PolarHBondContact O-N 3.41Å; K109-T111 PolarHBondContact O-N 3.42Å; T111-T114 PolarHBondContact O-N 2.84Å; T111-L115 WeakPolarHBondContact O-CB 3.34Å; T111-L115 PolarHBondContact O-N 3.43Å |
| 112 | S | 63.7 | Low | 68.6 | Low | 44 Ų | 44 | 88.8 Ų | 88.8 | 31% | 0.308 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.8 | -35.6 | 176.5 | 76.8 | 0 | 0 | 0 | 0 | 112.2 | Y108 K109 S116 | Y108-S112 WeakPolarHBondContact O-CA 3.31Å; Y108-S112 WeakPolarHBondContact O-CB 3.34Å; Y108-S112 PolarHBondContact O-N 2.78Å; Y108-S112 PolarHBondContact O-OG 2.76Å; Y108-S112 VanDerWaalsContact O-OG 3.13Å; K109-S112 WeakPolarHBondContact CA-OG 3.44Å; K109-S112 CarbonylContact O-C 3.59Å; K109-S112 PolarHBondContact O-N 2.79Å; K109-S112 PolarHBondContact O-OG 2.8Å; S112-S116 WeakPolarHBondContact O-CA 3.35Å; S112-S116 WeakPolarHBondContact O-CB 3.25Å; S112-S116 PolarHBondContact O-N 2.97Å |
| 113 | E | 69.3 | Low | 67.2 | Low | 114 Ų | 114 | 87.4 Ų | 87.4 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.9 | -39.3 | 174.3 | -75.6 | 170.2 | -176.4 | 0 | 0 | 110.5 | K109 T117 | K109-E113 VanDerWaalsContact O-CB 3.24Å; K109-E113 WeakPolarHBondContact O-CB 3.35Å; K109-E113 VanDerWaalsContact O-CG 3.23Å; K109-E113 WeakPolarHBondContact O-CG 3.11Å; K109-E113 PolarHBondContact O-N 3.32Å; E113-T117 WeakPolarHBondContact O-CB 3.24Å; E113-T117 PolarHBondContact O-N 3.47Å; E113-T117 PolarHBondContact O-OG1 3.37Å |
| 114 | T | 66.6 | Low | 66.2 | Low | 95 Ų | 95 | 87.1 Ų | 87.1 | 58% | 0.583 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.4 | -41.5 | 174.4 | -61.8 | 0 | 0 | 0 | 0 | 111 | K110 T111 A118 | K110-T114 WeakPolarHBondContact O-CB 3.18Å; K110-T114 PolarHBondContact O-N 3.47Å; K110-T114 PolarHBondContact O-OG1 3.42Å; T111-T114 PolarHBondContact O-N 2.84Å; T114-A118 WeakPolarHBondContact O-CB 3.3Å; T114-A118 PolarHBondContact O-N 3.43Å |
| 115 | L | 67.3 | Low | 65.2 | Low | 124 Ų | 124 | 87.1 Ų | 87.1 | 65% | 0.649 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.9 | -38.4 | 175.3 | -179 | 64.2 | 0 | 0 | 0 | 111.6 | T111 G119 | T111-L115 WeakPolarHBondContact O-CB 3.34Å; T111-L115 PolarHBondContact O-N 3.43Å; L115-G119 VanDerWaalsContact O-CA 3.27Å; L115-G119 WeakPolarHBondContact O-CA 3.44Å; L115-G119 PolarHBondContact O-N 3.45Å |
| 116 | S | 69.8 | Low | 63.8 | Low | 67 Ų | 67 | 91.6 Ų | 91.6 | 47% | 0.469 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.2 | -39.4 | 175.2 | -172 | 0 | 0 | 0 | 0 | 110.7 | S112 G119 Q120 | S112-S116 WeakPolarHBondContact O-CA 3.35Å; S112-S116 WeakPolarHBondContact O-CB 3.25Å; S112-S116 PolarHBondContact O-N 2.97Å; S116-G119 PolarHBondContact O-N 3.26Å; S116-Q120 VanDerWaalsContact O-CB 3.25Å; S116-Q120 WeakPolarHBondContact O-CB 3.34Å; S116-Q120 WeakPolarHBondContact O-CG 3.45Å; S116-Q120 PolarHBondContact O-N 3.22Å |
| 117 | T | 62.5 | Low | 63.2 | Low | 73 Ų | 73 | 90.1 Ų | 90.1 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.6 | -41.5 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | E113 K121 | E113-T117 WeakPolarHBondContact O-CB 3.24Å; E113-T117 PolarHBondContact O-N 3.47Å; E113-T117 PolarHBondContact O-OG1 3.37Å; T117-K121 HydrophobicContact CG2-CD 4.28Å; T117-K121 WeakPolarHBondContact O-CB 3.17Å; T117-K121 VanDerWaalsContact O-CG 3.3Å; T117-K121 WeakPolarHBondContact O-CG 3.33Å; T117-K121 PolarHBondContact O-N 3.49Å; T117-K121 VanDerWaalsContact O-N 3.13Å |
| 118 | A | 59.9 | Low | 62.6 | Low | 48 Ų | 48 | 93 Ų | 93 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69 | -37.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T114 T122 | T114-A118 WeakPolarHBondContact O-CB 3.3Å; T114-A118 PolarHBondContact O-N 3.43Å; A118-T122 WeakPolarHBondContact O-CB 3.03Å; A118-T122 PolarHBondContact O-N 3.14Å; A118-T122 PolarHBondContact O-OG1 3.33Å |
| 119 | G | 58.6 | Low | 61.9 | Low | 31 Ų | 31 | 93.8 Ų | 93.8 | 32% | 0.32 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.7 | -46.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L115 S116 T122 S123 | L115-G119 VanDerWaalsContact O-CA 3.27Å; L115-G119 WeakPolarHBondContact O-CA 3.44Å; L115-G119 PolarHBondContact O-N 3.45Å; S116-G119 PolarHBondContact O-N 3.26Å; G119-T122 CarbonylContact O-C 3.51Å; G119-T122 PolarHBondContact O-N 3.47Å; G119-S123 WeakPolarHBondContact O-CA 3.38Å; G119-S123 WeakPolarHBondContact O-CB 3.46Å; G119-S123 PolarHBondContact O-N 2.67Å; G119-S123 PolarHBondContact O-OG 2.91Å |
| 120 | Q | 65.7 | Low | 61.3 | Low | 138 Ų | 138 | 90.9 Ų | 90.9 | 65% | 0.645 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.3 | -38.5 | 177 | -71.2 | -68.9 | -22.3 | 0 | 0 | 112.5 | S116 T122 | S116-Q120 VanDerWaalsContact O-CB 3.25Å; S116-Q120 WeakPolarHBondContact O-CB 3.34Å; S116-Q120 WeakPolarHBondContact O-CG 3.45Å; S116-Q120 PolarHBondContact O-N 3.22Å; Q120-T122 VanDerWaalsContact C-N 3.33Å |
| 121 | K | 62 | Low | 60.9 | Low | 170 Ų | 170 | 88 Ų | 88 | 74% | 0.739 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -74.3 | -22.7 | 175.3 | -68.3 | -179.4 | -178.6 | -175.9 | 0 | 113.3 | T117 | T117-K121 HydrophobicContact CG2-CD 4.28Å; T117-K121 WeakPolarHBondContact O-CB 3.17Å; T117-K121 VanDerWaalsContact O-CG 3.3Å; T117-K121 WeakPolarHBondContact O-CG 3.33Å; T117-K121 PolarHBondContact O-N 3.49Å; T117-K121 VanDerWaalsContact O-N 3.13Å |
| 122 | T | 53.6 | Low | 60.7 | Low | 68 Ų | 68 | 86 Ų | 86 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -95.8 | -16.2 | 175.4 | -52.1 | 0 | 0 | 0 | 0 | 112.7 | A118 G119 Q120 A124 A125 F126 | A118-T122 WeakPolarHBondContact O-CB 3.03Å; A118-T122 PolarHBondContact O-N 3.14Å; A118-T122 PolarHBondContact O-OG1 3.33Å; G119-T122 CarbonylContact O-C 3.51Å; G119-T122 PolarHBondContact O-N 3.47Å; Q120-T122 VanDerWaalsContact C-N 3.33Å; T122-A124 PolarHBondContact O-N 3.39Å; T122-A125 HydrophobicContact CG2-CB 4.49Å; T122-A125 CarbonylContact O-C 3.46Å; T122-A125 WeakPolarHBondContact O-CA 3.15Å; T122-A125 WeakPolarHBondContact O-CB 3.26Å; T122-A125 PolarHBondContact O-N 3.17Å; T122-F126 HydrophobicContact CG2-CD2 4.33Å; T122-F126 PolarHBondContact O-N 2.76Å |
| 123 | S | 51.5 | Low | 60.9 | Low | 67 Ų | 67 | 88.2 Ų | 88.2 | 47% | 0.469 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.6 | -34.6 | -179.9 | -84.4 | 0 | 0 | 0 | 0 | 112.9 | G119 A125 | G119-S123 WeakPolarHBondContact O-CA 3.38Å; G119-S123 WeakPolarHBondContact O-CB 3.46Å; G119-S123 PolarHBondContact O-N 2.67Å; G119-S123 PolarHBondContact O-OG 2.91Å; S123-A125 VanDerWaalsContact C-N 3.27Å; S123-A125 PolarHBondContact O-N 3.42Å |
| 124 | A | 58 | Low | 61 | Low | 82 Ų | 82 | 87.5 Ų | 87.5 | 68% | 0.678 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.4 | -19.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T122 S127 | T122-A124 PolarHBondContact O-N 3.39Å; A124-S127 PolarHBondContact O-OG 3.47Å |
| 125 | A | 54.3 | Low | 61.4 | Low | 58 Ų | 58 | 93 Ų | 93 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -99.1 | -26.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T122 S123 S127 N128 F129 | T122-A125 HydrophobicContact CG2-CB 4.49Å; T122-A125 CarbonylContact O-C 3.46Å; T122-A125 WeakPolarHBondContact O-CA 3.15Å; T122-A125 WeakPolarHBondContact O-CB 3.26Å; T122-A125 PolarHBondContact O-N 3.17Å; S123-A125 VanDerWaalsContact C-N 3.27Å; S123-A125 PolarHBondContact O-N 3.42Å; A125-S127 VanDerWaalsContact C-N 3.31Å; A125-S127 PolarHBondContact O-N 2.84Å; A125-N128 WeakPolarHBondContact O-CB 3.31Å; A125-N128 PolarHBondContact O-N 3.29Å; A125-N128 VanDerWaalsContact O-N 3.09Å; A125-F129 PolarHBondContact O-N 2.9Å |
| 126 | F | 52.9 | Low | 62 | Low | 144 Ų | 144 | 94.7 Ų | 94.7 | 63% | 0.632 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.9 | -30.1 | 175.1 | -137.1 | -86.5 | 0 | 0 | 0 | 111.9 | T122 N128 F129 G130 | T122-F126 HydrophobicContact CG2-CD2 4.33Å; T122-F126 PolarHBondContact O-N 2.76Å; F126-N128 PolarHBondContact O-N 3.28Å; F126-F129 PolarHBondContact O-N 2.83Å; F126-G130 PolarHBondContact O-N 3.13Å |
| 127 | S | 55.5 | Low | 62.5 | Low | 69 Ų | 69 | 96.1 Ų | 96.1 | 48% | 0.483 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60 | -33 | 169.1 | 64 | 0 | 0 | 0 | 0 | 112.4 | A124 A125 S131 | A124-S127 PolarHBondContact O-OG 3.47Å; A125-S127 VanDerWaalsContact C-N 3.31Å; A125-S127 PolarHBondContact O-N 2.84Å; S127-S131 WeakPolarHBondContact O-CB 3.21Å; S127-S131 PolarHBondContact O-N 2.86Å; S127-S131 VanDerWaalsContact O-N 3.11Å; S127-S131 PolarHBondContact O-OG 3.34Å; S127-S131 VanDerWaalsContact O-OG 3.08Å |
| 128 | N | 58 | Low | 63.3 | Low | 124 Ų | 124 | 94 Ų | 94 | 66% | 0.663 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -73.7 | -34.4 | 178.1 | -128.8 | 52.7 | 0 | 0 | 0 | 111.8 | A125 F126 A132 | A125-N128 WeakPolarHBondContact O-CB 3.31Å; A125-N128 PolarHBondContact O-N 3.29Å; A125-N128 VanDerWaalsContact O-N 3.09Å; F126-N128 PolarHBondContact O-N 3.28Å; N128-A132 WeakPolarHBondContact O-CB 3.29Å; N128-A132 PolarHBondContact O-N 2.77Å; N128-A132 VanDerWaalsContact O-N 3.08Å |
| 129 | F | 52.7 | Low | 64.1 | Low | 127 Ų | 127 | 97.3 Ų | 97.3 | 56% | 0.557 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -77.2 | -36.1 | 175.2 | -162.8 | -108.9 | 0 | 0 | 0 | 112.9 | A125 F126 A132 I133 | A125-F129 PolarHBondContact O-N 2.9Å; F126-F129 PolarHBondContact O-N 2.83Å; F129-A132 PolarHBondContact O-N 3Å; F129-I133 HydrophobicContact CD1-CD1 3.6Å; F129-I133 HydrophobicContact CD1-CG1 4.46Å; F129-I133 HydrophobicContact CE1-CD1 3.21Å; F129-I133 HydrophobicContact CE1-CG1 4.22Å; F129-I133 HydrophobicContact CG-CD1 4.42Å; F129-I133 HydrophobicContact CZ-CD1 3.73Å; F129-I133 HydrophobicContact CZ-CG1 4.4Å; F129-I133 PolarHBondContact O-N 3.49Å |
| 130 | G | 63.2 | Low | 64.9 | Low | 35 Ų | 35 | 101.3 Ų | 101.3 | 36% | 0.361 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -38.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F126 T134 | F126-G130 PolarHBondContact O-N 3.13Å; G130-T134 VanDerWaalsContact O-CB 3.27Å; G130-T134 WeakPolarHBondContact O-CB 3.14Å; G130-T134 PolarHBondContact O-N 3.23Å; G130-T134 PolarHBondContact O-OG1 3.03Å |
| 131 | S | 65.1 | Low | 65.3 | Low | 77 Ų | 77 | 101.4 Ų | 101.4 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.9 | -39.2 | 174.5 | -65.9 | 0 | 0 | 0 | 0 | 112.5 | S127 R135 | S127-S131 WeakPolarHBondContact O-CB 3.21Å; S127-S131 PolarHBondContact O-N 2.86Å; S127-S131 VanDerWaalsContact O-N 3.11Å; S127-S131 PolarHBondContact O-OG 3.34Å; S127-S131 VanDerWaalsContact O-OG 3.08Å; S131-R135 WeakPolarHBondContact O-CB 3.4Å; S131-R135 PolarHBondContact O-N 3.46Å |
| 132 | A | 64.7 | Low | 66 | Low | 51 Ų | 51 | 99.4 Ų | 99.4 | 42% | 0.421 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N128 F129 K136 | N128-A132 WeakPolarHBondContact O-CB 3.29Å; N128-A132 PolarHBondContact O-N 2.77Å; N128-A132 VanDerWaalsContact O-N 3.08Å; F129-A132 PolarHBondContact O-N 3Å; A132-K136 WeakPolarHBondContact O-CB 3.49Å; A132-K136 PolarHBondContact O-N 2.85Å |
| 133 | I | 68 | Low | 67.4 | Low | 91 Ų | 91 | 97.5 Ų | 97.5 | 47% | 0.467 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.5 | -45.7 | 174.9 | -72.7 | 172.6 | 0 | 0 | 0 | 111.5 | F129 R135 K136 F137 | F129-I133 HydrophobicContact CD1-CD1 3.6Å; F129-I133 HydrophobicContact CD1-CG1 4.46Å; F129-I133 HydrophobicContact CE1-CD1 3.21Å; F129-I133 HydrophobicContact CE1-CG1 4.22Å; F129-I133 HydrophobicContact CG-CD1 4.42Å; F129-I133 HydrophobicContact CZ-CD1 3.73Å; F129-I133 HydrophobicContact CZ-CG1 4.4Å; F129-I133 PolarHBondContact O-N 3.49Å; I133-R135 PolarHBondContact O-N 3.48Å; I133-K136 PolarHBondContact O-N 3.39Å; I133-F137 VanDerWaalsContact O-CB 3.29Å; I133-F137 WeakPolarHBondContact O-CB 3.47Å; I133-F137 PolarHBondContact O-N 2.85Å |
| 134 | T | 70.3 | Confident | 68.4 | Low | 99 Ų | 99 | 99.2 Ų | 99.2 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.9 | -39.5 | 177.3 | -59 | 0 | 0 | 0 | 0 | 110.8 | G130 F137 G138 | G130-T134 VanDerWaalsContact O-CB 3.27Å; G130-T134 WeakPolarHBondContact O-CB 3.14Å; G130-T134 PolarHBondContact O-N 3.23Å; G130-T134 PolarHBondContact O-OG1 3.03Å; T134-F137 PolarHBondContact O-N 3.47Å; T134-G138 PolarHBondContact O-N 3.48Å |
| 135 | R | 76.4 | Confident | 69.2 | Low | 210 Ų | 210 | 99.9 Ų | 99.9 | 79% | 0.792 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.1 | -46.4 | 175.5 | -164.9 | 170.7 | -172.8 | 164.1 | 1.3 | 111.8 | S131 I133 F137 G138 D139 | S131-R135 WeakPolarHBondContact O-CB 3.4Å; S131-R135 PolarHBondContact O-N 3.46Å; I133-R135 PolarHBondContact O-N 3.48Å; R135-F137 VanDerWaalsContact C-N 3.31Å; R135-F137 PolarHBondContact O-N 3.41Å; R135-G138 PolarHBondContact O-N 2.72Å; R135-D139 WeakPolarHBondContact O-CB 3.47Å; R135-D139 PolarHBondContact O-N 3.28Å |
| 136 | K | 79.3 | Confident | 70.4 | Confident | 159 Ų | 159 | 101 Ų | 101 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60 | -38.5 | 174.1 | -100.7 | -105.2 | -177.2 | -107.8 | 0 | 112.4 | A132 I133 M140 | A132-K136 WeakPolarHBondContact O-CB 3.49Å; A132-K136 PolarHBondContact O-N 2.85Å; I133-K136 PolarHBondContact O-N 3.39Å; K136-M140 VanDerWaalsContact O-CB 3.26Å; K136-M140 WeakPolarHBondContact O-CB 3.29Å; K136-M140 PolarHBondContact O-N 2.81Å |
| 137 | F | 80.2 | Confident | 71.6 | Confident | 97 Ų | 97 | 101.9 Ų | 101.9 | 43% | 0.425 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.6 | -40.7 | 178.2 | -176.9 | -104 | 0 | 0 | 0 | 112.3 | I133 T134 R135 M140 R141 | I133-F137 VanDerWaalsContact O-CB 3.29Å; I133-F137 WeakPolarHBondContact O-CB 3.47Å; I133-F137 PolarHBondContact O-N 2.85Å; T134-F137 PolarHBondContact O-N 3.47Å; R135-F137 VanDerWaalsContact C-N 3.31Å; R135-F137 PolarHBondContact O-N 3.41Å; F137-M140 HydrophobicContact CD2-CE 4.48Å; F137-M140 PolarHBondContact O-N 3.41Å; F137-R141 HydrophobicContact CE1-CG 4.48Å; F137-R141 VanDerWaalsContact CZ-CZ 3.49Å; F137-R141 PolarHBondContact O-N 3.19Å |
| 138 | G | 78.6 | Confident | 72.6 | Confident | 29 Ų | 29 | 101.3 Ų | 101.3 | 30% | 0.299 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | T134 R135 M140 R141 N142 | T134-G138 PolarHBondContact O-N 3.48Å; R135-G138 PolarHBondContact O-N 2.72Å; G138-M140 VanDerWaalsContact C-N 3.31Å; G138-M140 PolarHBondContact O-N 2.88Å; G138-R141 PolarHBondContact O-N 2.72Å; G138-N142 PolarHBondContact O-N 3.44Å; G138-N142 PolarHBondContact O-ND2 3.16Å |
| 139 | D | 77.4 | Confident | 73.4 | Confident | 117 Ų | 117 | 101.4 Ų | 101.4 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.7 | -35.3 | 176.8 | -142.7 | 31.8 | 0 | 0 | 0 | 111.6 | R135 N142 S143 | R135-D139 WeakPolarHBondContact O-CB 3.47Å; R135-D139 PolarHBondContact O-N 3.28Å; D139-N142 CarbonylContact O-C 3.52Å; D139-N142 PolarHBondContact O-N 3.09Å; D139-S143 WeakPolarHBondContact O-CB 3.26Å; D139-S143 PolarHBondContact O-N 3.28Å |
| 140 | M | 75.8 | Confident | 74.6 | Confident | 116 Ų | 116 | 100.4 Ų | 100.4 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.8 | -37.6 | 176.3 | -159.4 | 170.1 | 82.6 | 0 | 0 | 112.4 | K136 F137 G138 S143 F146 | K136-M140 VanDerWaalsContact O-CB 3.26Å; K136-M140 WeakPolarHBondContact O-CB 3.29Å; K136-M140 PolarHBondContact O-N 2.81Å; F137-M140 HydrophobicContact CD2-CE 4.48Å; F137-M140 PolarHBondContact O-N 3.41Å; G138-M140 VanDerWaalsContact C-N 3.31Å; G138-M140 PolarHBondContact O-N 2.88Å; M140-S143 VanDerWaalsContact O-CB 3.29Å; M140-S143 WeakPolarHBondContact O-CB 3.35Å; M140-S143 PolarHBondContact O-N 3.11Å; M140-S143 PolarHBondContact O-OG 3.41Å; M140-F146 WeakPolarHBondContact O-CB 3.34Å |
| 141 | R | 74 | Confident | 74.9 | Confident | 140 Ų | 140 | 104.2 Ų | 104.2 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69 | -34.3 | 172.3 | -83 | -170.2 | 171.3 | 164.7 | -1.1 | 113.3 | F137 G138 S143 F146 | F137-R141 HydrophobicContact CE1-CG 4.48Å; F137-R141 VanDerWaalsContact CZ-CZ 3.49Å; F137-R141 PolarHBondContact O-N 3.19Å; G138-R141 PolarHBondContact O-N 2.72Å; R141-S143 PolarHBondContact O-N 2.94Å; R141-F146 HydrophobicContact CB-CD1 4.46Å; R141-F146 HydrophobicContact CG-CD1 4.39Å; R141-F146 HydrophobicContact CG-CE1 4.2Å |
| 142 | N | 77.1 | Confident | 75.4 | Confident | 127 Ų | 127 | 107.4 Ų | 107.4 | 68% | 0.679 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -0.4 | 174.4 | -67.9 | -31.1 | 0 | 0 | 0 | 112.8 | G138 D139 | G138-N142 PolarHBondContact O-N 3.44Å; G138-N142 PolarHBondContact O-ND2 3.16Å; D139-N142 CarbonylContact O-C 3.52Å; D139-N142 PolarHBondContact O-N 3.09Å |
| 143 | S | 81.9 | Confident | 76 | Confident | 28 Ų | 28 | 107.9 Ų | 107.9 | 20% | 0.196 | 53% | 0.532 | C | S | . | . | S | Bend | trans | -71.1 | 145.9 | -177 | 75.9 | 0 | 0 | 0 | 0 | 111.6 | D139 M140 R141 S145 F146 R147 | D139-S143 WeakPolarHBondContact O-CB 3.26Å; D139-S143 PolarHBondContact O-N 3.28Å; M140-S143 VanDerWaalsContact O-CB 3.29Å; M140-S143 WeakPolarHBondContact O-CB 3.35Å; M140-S143 PolarHBondContact O-N 3.11Å; M140-S143 PolarHBondContact O-OG 3.41Å; R141-S143 PolarHBondContact O-N 2.94Å; S143-S145 PolarHBondContact O-N 3.13Å; S143-S145 VanDerWaalsContact O-N 3.13Å; S143-F146 PolarHBondContact O-N 2.99Å; S143-F146 VanDerWaalsContact O-N 3.16Å; S143-F146 PolarHBondContact OG-N 3.48Å; S143-R147 PolarHBondContact O-N 3.33Å; S143-R147 VanDerWaalsContact O-N 3.09Å |
| 144 | P | 72.9 | Confident | 75.9 | Confident | 104 Ų | 104 | 109.7 Ų | 109.7 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -55 | -33.2 | 176.6 | -24.5 | 32.9 | 0 | 0 | 0 | 112.9 | S148 | P144-S148 VanDerWaalsContact O-CB 3.31Å; P144-S148 WeakPolarHBondContact O-CB 3.11Å; P144-S148 PolarHBondContact O-N 3.27Å; P144-S148 PolarHBondContact O-OG 3.34Å |
| 145 | S | 75.7 | Confident | 75.7 | Confident | 95 Ų | 95 | 109.3 Ų | 109.3 | 66% | 0.664 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.4 | -40.1 | -179.7 | -51.1 | 0 | 0 | 0 | 0 | 112.9 | S143 F149 | S143-S145 PolarHBondContact O-N 3.13Å; S143-S145 VanDerWaalsContact O-N 3.13Å; S145-F149 PolarHBondContact O-N 2.91Å; S145-F149 VanDerWaalsContact O-N 3.11Å |
| 146 | F | 77.9 | Confident | 75 | Confident | 81 Ų | 81 | 103 Ų | 103 | 36% | 0.355 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.9 | -39.8 | 176.5 | -170.7 | -98.2 | 0 | 0 | 0 | 111.5 | M140 R141 S143 S148 F149 E150 | M140-F146 WeakPolarHBondContact O-CB 3.34Å; R141-F146 HydrophobicContact CB-CD1 4.46Å; R141-F146 HydrophobicContact CG-CD1 4.39Å; R141-F146 HydrophobicContact CG-CE1 4.2Å; S143-F146 PolarHBondContact O-N 2.99Å; S143-F146 VanDerWaalsContact O-N 3.16Å; S143-F146 PolarHBondContact OG-N 3.48Å; F146-S148 VanDerWaalsContact C-N 3.32Å; F146-S148 PolarHBondContact O-N 3.3Å; F146-F149 PolarHBondContact O-N 2.72Å; F146-E150 WeakPolarHBondContact O-CB 3.27Å; F146-E150 PolarHBondContact O-N 2.72Å |
| 147 | R | 79 | Confident | 74.1 | Confident | 164 Ų | 164 | 99.5 Ų | 99.5 | 62% | 0.619 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -38.9 | 173.3 | -61.3 | -165.8 | 84.8 | -131.1 | 1 | 112.1 | S143 F149 E150 E151 | S143-R147 PolarHBondContact O-N 3.33Å; S143-R147 VanDerWaalsContact O-N 3.09Å; R147-F149 VanDerWaalsContact C-N 3.32Å; R147-F149 PolarHBondContact O-N 2.99Å; R147-E150 PolarHBondContact O-N 3.39Å; R147-E151 VanDerWaalsContact O-CB 3.3Å; R147-E151 WeakPolarHBondContact O-CB 3.46Å; R147-E151 PolarHBondContact O-N 3.14Å |
| 148 | S | 75.6 | Confident | 73.1 | Confident | 56 Ų | 56 | 98.1 Ų | 98.1 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -33.5 | 175.6 | -61.2 | 0 | 0 | 0 | 0 | 112.6 | P144 F146 K152 | P144-S148 VanDerWaalsContact O-CB 3.31Å; P144-S148 WeakPolarHBondContact O-CB 3.11Å; P144-S148 PolarHBondContact O-N 3.27Å; P144-S148 PolarHBondContact O-OG 3.34Å; F146-S148 VanDerWaalsContact C-N 3.32Å; F146-S148 PolarHBondContact O-N 3.3Å; S148-K152 WeakPolarHBondContact O-CB 3.33Å; S148-K152 WeakPolarHBondContact O-CD 3.25Å; S148-K152 WeakPolarHBondContact O-CG 3.27Å; S148-K152 PolarHBondContact O-N 2.87Å |
| 149 | F | 75.6 | Confident | 72.2 | Confident | 127 Ų | 127 | 101 Ų | 101 | 56% | 0.557 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.1 | -44.9 | 173.7 | 178.1 | -98.6 | 0 | 0 | 0 | 111.4 | S145 F146 R147 E151 K152 V153 | S145-F149 PolarHBondContact O-N 2.91Å; S145-F149 VanDerWaalsContact O-N 3.11Å; F146-F149 PolarHBondContact O-N 2.72Å; R147-F149 VanDerWaalsContact C-N 3.32Å; R147-F149 PolarHBondContact O-N 2.99Å; F149-E151 VanDerWaalsContact C-N 3.33Å; F149-E151 PolarHBondContact O-N 2.89Å; F149-K152 PolarHBondContact O-N 3.48Å; F149-V153 HydrophobicContact CD1-CG2 4.12Å; F149-V153 HydrophobicContact CD2-CG2 4.29Å; F149-V153 HydrophobicContact CE1-CG2 3.66Å; F149-V153 HydrophobicContact CE2-CG2 3.85Å; F149-V153 HydrophobicContact CG-CG2 4.42Å; F149-V153 HydrophobicContact CZ-CG2 3.51Å; F149-V153 WeakPolarHBondContact O-CB 3.15Å; F149-V153 WeakPolarHBondContact O-CG2 3.45Å; F149-V153 PolarHBondContact O-N 3.21Å |
| 150 | E | 77.1 | Confident | 71.3 | Confident | 105 Ų | 105 | 100 Ų | 100 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.6 | -47.4 | 174.1 | -175 | 174.6 | -152.1 | 0 | 0 | 110.8 | F146 R147 K152 V153 E154 | F146-E150 WeakPolarHBondContact O-CB 3.27Å; F146-E150 PolarHBondContact O-N 2.72Å; R147-E150 PolarHBondContact O-N 3.39Å; E150-K152 PolarHBondContact O-N 3.13Å; E150-V153 PolarHBondContact O-N 3.41Å; E150-E154 VanDerWaalsContact O-CB 3.25Å; E150-E154 WeakPolarHBondContact O-CB 3.08Å; E150-E154 PolarHBondContact O-N 2.68Å |
| 151 | E | 71.4 | Confident | 70.3 | Confident | 115 Ų | 115 | 102 Ų | 102 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 177.1 | -171 | -179.8 | -177.8 | 0 | 0 | 112.2 | R147 F149 N155 | R147-E151 VanDerWaalsContact O-CB 3.3Å; R147-E151 WeakPolarHBondContact O-CB 3.46Å; R147-E151 PolarHBondContact O-N 3.14Å; F149-E151 VanDerWaalsContact C-N 3.33Å; F149-E151 PolarHBondContact O-N 2.89Å; E151-N155 WeakPolarHBondContact O-CB 3.01Å; E151-N155 PolarHBondContact O-N 2.96Å; E151-N155 PolarHBondContact O-ND2 2.93Å; E151-N155 PolarHBondContact O-OD1 3.34Å |
| 152 | K | 73.9 | Confident | 69.4 | Low | 145 Ų | 145 | 100.2 Ų | 100.2 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.6 | -39 | 175.3 | -77.5 | 171.4 | -175 | -67.4 | 0 | 112.2 | S148 F149 E150 T156 | S148-K152 WeakPolarHBondContact O-CB 3.33Å; S148-K152 WeakPolarHBondContact O-CD 3.25Å; S148-K152 WeakPolarHBondContact O-CG 3.27Å; S148-K152 PolarHBondContact O-N 2.87Å; F149-K152 PolarHBondContact O-N 3.48Å; E150-K152 PolarHBondContact O-N 3.13Å; K152-T156 WeakPolarHBondContact O-CB 3.33Å; K152-T156 PolarHBondContact O-N 3.46Å; K152-T156 PolarHBondContact O-OG1 2.79Å |
| 153 | V | 77.1 | Confident | 68.1 | Low | 61 Ų | 61 | 102.1 Ų | 102.1 | 37% | 0.37 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71 | -41.6 | 176.4 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | F149 E150 T156 V157 | F149-V153 HydrophobicContact CD1-CG2 4.12Å; F149-V153 HydrophobicContact CD2-CG2 4.29Å; F149-V153 HydrophobicContact CE1-CG2 3.66Å; F149-V153 HydrophobicContact CE2-CG2 3.85Å; F149-V153 HydrophobicContact CG-CG2 4.42Å; F149-V153 HydrophobicContact CZ-CG2 3.51Å; F149-V153 WeakPolarHBondContact O-CB 3.15Å; F149-V153 WeakPolarHBondContact O-CG2 3.45Å; F149-V153 PolarHBondContact O-N 3.21Å; E150-V153 PolarHBondContact O-N 3.41Å; V153-T156 CarbonylContact O-C 3.59Å; V153-T156 PolarHBondContact O-N 2.9Å; V153-T156 VanDerWaalsContact O-N 3.17Å; V153-V157 HydrophobicContact CG1-CG2 4.22Å; V153-V157 WeakPolarHBondContact O-CB 3.13Å; V153-V157 VanDerWaalsContact O-CG2 3.31Å; V153-V157 WeakPolarHBondContact O-CG2 3.1Å; V153-V157 PolarHBondContact O-N 3.5Å |
| 154 | E | 66.5 | Low | 66.7 | Low | 129 Ų | 129 | 106.4 Ų | 106.4 | 60% | 0.603 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.1 | -42.6 | 174.9 | -170.6 | 173.4 | -174.2 | 0 | 0 | 110.8 | E150 T156 V157 S158 | E150-E154 VanDerWaalsContact O-CB 3.25Å; E150-E154 WeakPolarHBondContact O-CB 3.08Å; E150-E154 PolarHBondContact O-N 2.68Å; E154-T156 VanDerWaalsContact C-N 3.32Å; E154-T156 PolarHBondContact O-N 3.41Å; E154-V157 PolarHBondContact O-N 3.22Å; E154-S158 WeakPolarHBondContact O-CB 3.23Å; E154-S158 PolarHBondContact O-N 2.87Å |
| 155 | N | 66.5 | Low | 65.6 | Low | 90 Ų | 90 | 104.7 Ų | 104.7 | 48% | 0.481 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.7 | -37.2 | 173.1 | -71.5 | -3.8 | 0 | 0 | 0 | 111.8 | E151 T159 | E151-N155 WeakPolarHBondContact O-CB 3.01Å; E151-N155 PolarHBondContact O-N 2.96Å; E151-N155 PolarHBondContact O-ND2 2.93Å; E151-N155 PolarHBondContact O-OD1 3.34Å; N155-T159 VanDerWaalsContact O-CB 3.28Å; N155-T159 WeakPolarHBondContact O-CB 3.24Å; N155-T159 PolarHBondContact O-N 3.34Å; N155-T159 PolarHBondContact O-OG1 2.98Å |
| 156 | T | 62.6 | Low | 64.2 | Low | 78 Ų | 78 | 102.2 Ų | 102.2 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.6 | -42.7 | 177.1 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | K152 V153 E154 T159 I160 | K152-T156 WeakPolarHBondContact O-CB 3.33Å; K152-T156 PolarHBondContact O-N 3.46Å; K152-T156 PolarHBondContact O-OG1 2.79Å; V153-T156 CarbonylContact O-C 3.59Å; V153-T156 PolarHBondContact O-N 2.9Å; V153-T156 VanDerWaalsContact O-N 3.17Å; E154-T156 VanDerWaalsContact C-N 3.32Å; E154-T156 PolarHBondContact O-N 3.41Å; T156-T159 PolarHBondContact O-N 2.9Å; T156-I160 HydrophobicContact CG2-CD1 3.95Å; T156-I160 WeakPolarHBondContact O-CB 3.15Å; T156-I160 WeakPolarHBondContact O-CG1 3.15Å; T156-I160 PolarHBondContact O-N 3Å |
| 157 | V | 59.2 | Low | 62.9 | Low | 86 Ų | 86 | 105.7 Ų | 105.7 | 52% | 0.521 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.9 | -38.4 | 177.3 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | V153 E154 I160 K161 | V153-V157 HydrophobicContact CG1-CG2 4.22Å; V153-V157 WeakPolarHBondContact O-CB 3.13Å; V153-V157 VanDerWaalsContact O-CG2 3.31Å; V153-V157 WeakPolarHBondContact O-CG2 3.1Å; V153-V157 PolarHBondContact O-N 3.5Å; E154-V157 PolarHBondContact O-N 3.22Å; V157-I160 PolarHBondContact O-N 3.39Å; V157-K161 VanDerWaalsContact O-CB 3.26Å; V157-K161 WeakPolarHBondContact O-CB 3.36Å; V157-K161 PolarHBondContact O-N 3.08Å |
| 158 | S | 59.6 | Low | 61.4 | Low | 68 Ų | 68 | 101.1 Ų | 101.1 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.7 | -40.5 | 173 | -168.5 | 0 | 0 | 0 | 0 | 111.6 | E154 K161 T162 | E154-S158 WeakPolarHBondContact O-CB 3.23Å; E154-S158 PolarHBondContact O-N 2.87Å; S158-K161 PolarHBondContact O-N 3.11Å; S158-T162 VanDerWaalsContact O-CB 3.3Å; S158-T162 WeakPolarHBondContact O-CB 3.2Å; S158-T162 PolarHBondContact O-N 2.96Å; S158-T162 PolarHBondContact O-OG1 2.9Å |
| 159 | T | 58.5 | Low | 60.3 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 54% | 0.54 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.6 | -44.5 | 173.4 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | N155 T156 T162 K163 | N155-T159 VanDerWaalsContact O-CB 3.28Å; N155-T159 WeakPolarHBondContact O-CB 3.24Å; N155-T159 PolarHBondContact O-N 3.34Å; N155-T159 PolarHBondContact O-OG1 2.98Å; T156-T159 PolarHBondContact O-N 2.9Å; T159-T162 PolarHBondContact O-N 3.25Å; T159-K163 VanDerWaalsContact O-CB 3.23Å; T159-K163 WeakPolarHBondContact O-CB 3.36Å; T159-K163 PolarHBondContact O-N 2.78Å |
| 160 | I | 59.3 | Low | 59.3 | Low | 96 Ų | 96 | 103.2 Ų | 103.2 | 49% | 0.492 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.1 | -47.4 | 176.6 | -67.6 | 163.3 | 0 | 0 | 0 | 110.2 | T156 V157 T162 K163 V164 | T156-I160 HydrophobicContact CG2-CD1 3.95Å; T156-I160 WeakPolarHBondContact O-CB 3.15Å; T156-I160 WeakPolarHBondContact O-CG1 3.15Å; T156-I160 PolarHBondContact O-N 3Å; V157-I160 PolarHBondContact O-N 3.39Å; I160-T162 VanDerWaalsContact C-N 3.27Å; I160-T162 PolarHBondContact O-N 3.36Å; I160-K163 CarbonylContact O-C 3.5Å; I160-K163 PolarHBondContact O-N 3.3Å; I160-V164 HydrophobicContact CG2-CG1 4.18Å; I160-V164 WeakPolarHBondContact O-CG1 3.47Å; I160-V164 VanDerWaalsContact O-CG2 3.29Å; I160-V164 WeakPolarHBondContact O-CG2 3.45Å; I160-V164 PolarHBondContact O-N 3.43Å |
| 161 | K | 56 | Low | 58.3 | Low | 160 Ų | 160 | 102 Ų | 102 | 70% | 0.696 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.2 | -36.5 | 179.1 | -162.8 | 179.8 | -176.4 | -173.3 | 0 | 112.1 | V157 S158 G165 | V157-K161 VanDerWaalsContact O-CB 3.26Å; V157-K161 WeakPolarHBondContact O-CB 3.36Å; V157-K161 PolarHBondContact O-N 3.08Å; S158-K161 PolarHBondContact O-N 3.11Å; K161-G165 PolarHBondContact O-N 2.75Å; K161-G165 VanDerWaalsContact O-N 3.08Å |
| 162 | T | 53.7 | Low | 57.7 | Low | 101 Ų | 101 | 99.6 Ų | 99.6 | 62% | 0.62 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.3 | -36.7 | 173.6 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | S158 T159 I160 G166 | S158-T162 VanDerWaalsContact O-CB 3.3Å; S158-T162 WeakPolarHBondContact O-CB 3.2Å; S158-T162 PolarHBondContact O-N 2.96Å; S158-T162 PolarHBondContact O-OG1 2.9Å; T159-T162 PolarHBondContact O-N 3.25Å; I160-T162 VanDerWaalsContact C-N 3.27Å; I160-T162 PolarHBondContact O-N 3.36Å; T162-G166 PolarHBondContact O-N 2.69Å |
| 163 | K | 51.2 | Low | 56.7 | Low | 167 Ų | 167 | 99.9 Ų | 99.9 | 73% | 0.726 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -82.3 | -15.6 | -179.5 | -148.2 | 178.8 | -174.9 | -165.9 | 0 | 114.1 | T159 I160 | T159-K163 VanDerWaalsContact O-CB 3.23Å; T159-K163 WeakPolarHBondContact O-CB 3.36Å; T159-K163 PolarHBondContact O-N 2.78Å; I160-K163 CarbonylContact O-C 3.5Å; I160-K163 PolarHBondContact O-N 3.3Å |
| 164 | V | 50.6 | Low | 56 | Low | 119 Ų | 119 | 103.3 Ų | 103.3 | 72% | 0.721 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -105.1 | -4.7 | 171.9 | -53.1 | 0 | 0 | 0 | 0 | 113.6 | I160 | I160-V164 HydrophobicContact CG2-CG1 4.18Å; I160-V164 WeakPolarHBondContact O-CG1 3.47Å; I160-V164 VanDerWaalsContact O-CG2 3.29Å; I160-V164 WeakPolarHBondContact O-CG2 3.45Å; I160-V164 PolarHBondContact O-N 3.43Å |
| 165 | G | 51.2 | Low | 55.7 | Low | 68 Ų | 68 | 103.5 Ų | 103.5 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -103 | -7.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | K161 | K161-G165 PolarHBondContact O-N 2.75Å; K161-G165 VanDerWaalsContact O-N 3.08Å |
| 166 | G | 45.4 | Very low | 55.8 | Low | 43 Ų | 43 | 103.8 Ų | 103.8 | 44% | 0.443 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -111 | 114.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T162 G168 | T162-G166 PolarHBondContact O-N 2.69Å; G166-G168 PolarHBondContact O-N 2.75Å |
| 167 | T | 51.3 | Low | 56 | Low | 154 Ų | 154 | 104.6 Ų | 104.6 | 95% | 0.945 | 65% | 0.645 | S | S | * | * | trans | -25.2 | 120.6 | 163.8 | 26.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 168 | G | 47.5 | Very low | 56.3 | Low | 68 Ų | 68 | 103.6 Ų | 103.6 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | trans | 158.9 | 98 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G166 | G166-G168 PolarHBondContact O-N 2.75Š| ||
| 169 | T | 51.8 | Low | 56.5 | Low | 148 Ų | 148 | 104.1 Ų | 104.1 | 91% | 0.908 | 65% | 0.646 | S | S | * | * | trans | 0.3 | 122.5 | 152.1 | 36.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 170 | G | 55.9 | Low | 56.7 | Low | 79 Ų | 79 | 102.9 Ų | 102.9 | 81% | 0.814 | 64% | 0.644 | S | S | * | * | trans | 88.4 | 68.7 | 139.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | S172 | G170-S172 PolarHBondContact O-N 3.45Š| ||
| 171 | G | 54.9 | Low | 56.7 | Low | 78 Ų | 78 | 101.2 Ų | 101.2 | 80% | 0.804 | 65% | 0.645 | S | S | * | * | trans | -83.6 | 93.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 172 | S | 58.5 | Low | 56.9 | Low | 65 Ų | 65 | 100.3 Ų | 100.3 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | trans | -60.9 | 129.5 | -173.6 | -175.4 | 0 | 0 | 0 | 0 | 112.5 | G170 E174 E175 | G170-S172 PolarHBondContact O-N 3.45Å; S172-E174 PolarHBondContact O-N 2.88Å; S172-E174 VanDerWaalsContact OG-CB 3.29Å; S172-E174 WeakPolarHBondContact OG-CB 3.11Å; S172-E174 PolarHBondContact OG-N 3.21Å; S172-E175 PolarHBondContact O-N 2.91Å | ||
| 173 | F | 54.1 | Low | 57.1 | Low | 152 Ų | 152 | 99.4 Ų | 99.4 | 67% | 0.667 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -49.7 | -23 | 172.1 | -178.4 | -110.8 | 0 | 0 | 0 | 113.2 | E175 V176 L177 | F173-E175 VanDerWaalsContact C-N 3.3Å; F173-E175 PolarHBondContact O-N 2.67Å; F173-V176 PolarHBondContact O-N 3.49Å; F173-L177 HydrophobicContact CD1-CD1 3.65Å; F173-L177 HydrophobicContact CD1-CG 3.93Å; F173-L177 HydrophobicContact CE1-CD1 3.52Å; F173-L177 HydrophobicContact CE1-CD2 3.85Å; F173-L177 HydrophobicContact CE1-CG 3.75Å; F173-L177 HydrophobicContact CZ-CD1 4.43Å; F173-L177 HydrophobicContact CZ-CD2 3.93Å; F173-L177 HydrophobicContact CZ-CG 4.22Å; F173-L177 WeakPolarHBondContact O-CG 3.3Å; F173-L177 PolarHBondContact O-N 2.66Å; F173-L177 VanDerWaalsContact O-N 3.08Å |
| 174 | E | 62.5 | Low | 57.2 | Low | 132 Ų | 132 | 96.3 Ų | 96.3 | 62% | 0.617 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -56.6 | -36.4 | 173.6 | -172.1 | -175.2 | -170.3 | 0 | 0 | 113.8 | S172 L177 S178 | S172-E174 PolarHBondContact O-N 2.88Å; S172-E174 VanDerWaalsContact OG-CB 3.29Å; S172-E174 WeakPolarHBondContact OG-CB 3.11Å; S172-E174 PolarHBondContact OG-N 3.21Å; E174-L177 PolarHBondContact O-N 2.73Å; E174-S178 WeakPolarHBondContact O-CB 3.37Å; E174-S178 PolarHBondContact O-N 3.4Å; E174-S178 PolarHBondContact O-OG 3.3Å |
| 175 | E | 59.6 | Low | 57.4 | Low | 133 Ų | 133 | 95.7 Ų | 95.7 | 62% | 0.621 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.6 | -34.8 | -179.3 | -166.3 | 176.4 | -171.8 | 0 | 0 | 111.5 | S172 F173 S179 | S172-E175 PolarHBondContact O-N 2.91Å; F173-E175 VanDerWaalsContact C-N 3.3Å; F173-E175 PolarHBondContact O-N 2.67Å; E175-S179 WeakPolarHBondContact O-CB 3.07Å; E175-S179 PolarHBondContact O-N 3.01Å; E175-S179 PolarHBondContact O-OG 3Å |
| 176 | V | 67.7 | Low | 57.2 | Low | 97 Ų | 97 | 100.4 Ų | 100.4 | 59% | 0.588 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.5 | -41.2 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 110.6 | F173 S179 A180 | F173-V176 PolarHBondContact O-N 3.49Å; V176-S179 PolarHBondContact O-N 3.09Å; V176-A180 PolarHBondContact O-N 3.44Å |
| 177 | L | 68.6 | Low | 57 | Low | 95 Ų | 95 | 106 Ų | 106 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -64.8 | -42.3 | 175.7 | -68.3 | -179.1 | 0 | 0 | 0 | 112.2 | F173 E174 S179 A180 A181 | F173-L177 HydrophobicContact CD1-CD1 3.65Å; F173-L177 HydrophobicContact CD1-CG 3.93Å; F173-L177 HydrophobicContact CE1-CD1 3.52Å; F173-L177 HydrophobicContact CE1-CD2 3.85Å; F173-L177 HydrophobicContact CE1-CG 3.75Å; F173-L177 HydrophobicContact CZ-CD1 4.43Å; F173-L177 HydrophobicContact CZ-CD2 3.93Å; F173-L177 HydrophobicContact CZ-CG 4.22Å; F173-L177 WeakPolarHBondContact O-CG 3.3Å; F173-L177 PolarHBondContact O-N 2.66Å; F173-L177 VanDerWaalsContact O-N 3.08Å; E174-L177 PolarHBondContact O-N 2.73Å; L177-S179 VanDerWaalsContact C-N 3.32Å; L177-S179 PolarHBondContact O-N 3.48Å; L177-A180 PolarHBondContact O-N 2.81Å; L177-A181 PolarHBondContact O-N 2.86Å |
| 178 | S | 65.1 | Low | 56.9 | Low | 65 Ų | 65 | 105.2 Ų | 105.2 | 46% | 0.455 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -66.3 | -36.1 | 177.7 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | E174 A181 N182 | E174-S178 WeakPolarHBondContact O-CB 3.37Å; E174-S178 PolarHBondContact O-N 3.4Å; E174-S178 PolarHBondContact O-OG 3.3Å; S178-A181 PolarHBondContact O-N 3.08Å; S178-N182 PolarHBondContact O-N 2.79Å; S178-N182 VanDerWaalsContact O-N 3.14Å |
| 179 | S | 63.8 | Low | 56.7 | Low | 78 Ų | 78 | 107.6 Ų | 107.6 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -67.3 | -38.4 | 175.6 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | E175 V176 L177 A183 | E175-S179 WeakPolarHBondContact O-CB 3.07Å; E175-S179 PolarHBondContact O-N 3.01Å; E175-S179 PolarHBondContact O-OG 3Å; V176-S179 PolarHBondContact O-N 3.09Å; L177-S179 VanDerWaalsContact C-N 3.32Å; L177-S179 PolarHBondContact O-N 3.48Å; S179-A183 PolarHBondContact O-N 2.72Å |
| 180 | A | 62.4 | Low | 56.3 | Low | 62 Ų | 62 | 106.5 Ų | 106.5 | 51% | 0.512 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -70.8 | -36.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V176 L177 A183 S184 | V176-A180 PolarHBondContact O-N 3.44Å; L177-A180 PolarHBondContact O-N 2.81Å; A180-A183 PolarHBondContact O-N 3.2Å; A180-S184 PolarHBondContact O-N 2.93Å |
| 181 | A | 58.4 | Low | 55.8 | Low | 62 Ų | 62 | 110.3 Ų | 110.3 | 51% | 0.512 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -65.5 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L177 S178 A183 S184 | L177-A181 PolarHBondContact O-N 2.86Å; S178-A181 PolarHBondContact O-N 3.08Å; A181-A183 VanDerWaalsContact C-N 3.34Å; A181-A183 PolarHBondContact O-N 2.68Å; A181-S184 PolarHBondContact O-N 3.13Å |
| 182 | N | 60.4 | Low | 55.1 | Low | 141 Ų | 141 | 114.3 Ų | 114.3 | 75% | 0.754 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.2 | -27.4 | 177.6 | -94 | -3.2 | 0 | 0 | 0 | 113.6 | S178 S184 | S178-N182 PolarHBondContact O-N 2.79Å; S178-N182 VanDerWaalsContact O-N 3.14Å; N182-S184 PolarHBondContact O-N 2.78Å |
| 183 | A | 59 | Low | 54.5 | Low | 82 Ų | 82 | 119.3 Ų | 119.3 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -69.6 | -20.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | S179 A180 A181 S185 | S179-A183 PolarHBondContact O-N 2.72Å; A180-A183 PolarHBondContact O-N 3.2Å; A181-A183 VanDerWaalsContact C-N 3.34Å; A181-A183 PolarHBondContact O-N 2.68Å; A183-S185 PolarHBondContact O-N 2.78Å |
| 184 | S | 52.3 | Low | 53.9 | Low | 102 Ų | 102 | 118 Ų | 118 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 1.7 | -175.4 | -169.4 | 0 | 0 | 0 | 0 | 114.6 | A180 A181 N182 | A180-S184 PolarHBondContact O-N 2.93Å; A181-S184 PolarHBondContact O-N 3.13Å; N182-S184 PolarHBondContact O-N 2.78Å |
| 185 | S | 54.5 | Low | 53 | Low | 106 Ų | 106 | 118 Ų | 118 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 16.4 | -174.1 | -60.4 | 0 | 0 | 0 | 0 | 115.8 | A183 | A183-S185 PolarHBondContact O-N 2.78Š|
| 186 | Q | 48 | Very low | 52.2 | Low | 167 Ų | 167 | 119.7 Ų | 119.7 | 78% | 0.78 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -115.3 | 99 | 178.8 | -158.2 | 165.5 | -7.8 | 0 | 0 | 113.8 | ||
| 187 | E | 40.8 | Very low | 51.3 | Low | 160 Ų | 160 | 119.9 Ų | 119.9 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | 70 | 100.9 | 148.5 | -67.5 | -179.1 | 123.4 | 0 | 0 | 121.1 | ||||
| 188 | T | 49.6 | Very low | 50 | Low | 137 Ų | 137 | 124 Ų | 124 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | trans | -76.1 | 134.8 | 139.4 | 45.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 189 | P | 43.2 | Very low | 48.9 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | -115.5 | 124.1 | 144.4 | 5.4 | 15 | 0 | 0 | 0 | 111.7 | ||||
| 190 | T | 42.2 | Very low | 48.2 | Very low | 125 Ų | 125 | 132 Ų | 132 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | trans | -43.2 | 139.1 | 171 | 46.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 191 | N | 46.9 | Very low | 47 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -56.8 | 140.5 | 158.6 | -69.8 | -50.6 | 0 | 0 | 0 | 111.3 | ||||
| 192 | N | 39.5 | Very low | 46.4 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -133.9 | 123 | 152.3 | -93.9 | -20.7 | 0 | 0 | 0 | 109.7 | ||||
| 193 | L | 45.7 | Very low | 45.7 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -89.8 | 123.9 | 174.2 | -177.3 | 74.3 | 0 | 0 | 0 | 108.3 | ||||
| 194 | T | 42.6 | Very low | 45 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 77% | 0.767 | 83% | 0.825 | S | S | * | * | trans | -159 | 96.4 | 159.1 | -23.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 195 | D | 43.1 | Very low | 44.5 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 71% | 0.706 | 83% | 0.832 | S | S | * | * | 55.5 | 105.9 | 102.5 | -169.6 | 27.1 | 0 | 0 | 0 | 113.6 | |||||
| 196 | I | 42.9 | Very low | 43.9 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 87% | 0.867 | 84% | 0.837 | S | S | * | * | trans | -162.5 | 92.3 | 140.7 | 25.9 | 175.9 | 0 | 0 | 0 | 108.4 | ||||
| 197 | S | 48.5 | Very low | 43.6 | Very low | 100 Ų | 100 | 150.5 Ų | 150.5 | 70% | 0.699 | 84% | 0.841 | S | S | * | * | trans | -63.7 | 134.3 | 145.6 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 198 | E | 41.1 | Very low | 43.8 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 86% | 0.855 | 85% | 0.848 | S | S | * | * | trans | 151.1 | 117 | 133.6 | -77.7 | -164.6 | 148.4 | 0 | 0 | 113 | ||||
| 199 | K | 41.2 | Very low | 43.4 | Very low | 198 Ų | 198 | 150.8 Ų | 150.8 | 86% | 0.861 | 85% | 0.848 | S | S | * | * | trans | -86.8 | 158.8 | 147.5 | -164.7 | 176.7 | 178.6 | 170.8 | 0 | 105.5 | ||||
| 200 | P | 50.4 | Low | 43.4 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 73% | 0.727 | 86% | 0.855 | S | S | * | * | cis | -136.1 | 168 | 15 | 37 | -17.3 | 0 | 0 | 0 | 115.9 | ||||
| 201 | C | 36.9 | Very low | 43.5 | Very low | 208 Ų | 208 | 156.2 Ų | 156.2 | 100% | 1.405 | 86% | 0.863 | S | S | * | * | -175.6 | 0 | 121.2 | -119.6 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 201 of 201 residues in 81.8 ms
(Link to these results)