| 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 | 38.7 | Very low | 44.5 | Very low | 242 Ų | 242 | 154.2 Ų | 154.2 | 100% | 1.192 | 79% | 0.793 | S | S | * | * | 0 | 106 | 0 | -81.2 | 173.4 | 157.4 | 0 | 0 | 108.5 | K3 | M1-K3 PolarHBondContact O-N 3.45Š| |||
| 2 | K | 41.6 | Very low | 44.7 | Very low | 206 Ų | 206 | 153.7 Ų | 153.7 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | -73.8 | 121 | 175.6 | -72.3 | 177.1 | 178.5 | 175.3 | 0 | 107.4 | E4 | K2-E4 PolarHBondContact O-N 2.82Š| ||
| 3 | K | 48.1 | Very low | 44.2 | Very low | 201 Ų | 201 | 148.8 Ų | 148.8 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -72.7 | 108.7 | 173.5 | -79.6 | 179.8 | 175.4 | 177.9 | 0 | 107.5 | M1 T5 | M1-K3 PolarHBondContact O-N 3.45Å; K3-T5 PolarHBondContact O-N 2.89Å | ||
| 4 | E | 53.5 | Low | 43.8 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -68.5 | 120.8 | 171.6 | -75.4 | 176.9 | 162.9 | 0 | 0 | 109.1 | K2 I6 | K2-E4 PolarHBondContact O-N 2.82Å; E4-I6 PolarHBondContact O-N 2.82Å; E4-I6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | T | 45.5 | Very low | 43.5 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | trans | -76.3 | 97.3 | -178.8 | 46.9 | 0 | 0 | 0 | 0 | 109.3 | K3 I7 | K3-T5 PolarHBondContact O-N 2.89Å; T5-I7 PolarHBondContact O-N 3.24Å | ||
| 6 | I | 48.7 | Very low | 43.3 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 67% | 0.672 | 73% | 0.725 | S | S | * | * | trans | -67.4 | 110.4 | 169.5 | -63.3 | 169.4 | 0 | 0 | 0 | 107.5 | E4 H8 | E4-I6 PolarHBondContact O-N 2.82Å; E4-I6 VanDerWaalsContact O-N 3.12Å; I6-H8 PolarHBondContact O-N 2.88Å | ||
| 7 | I | 46.5 | Very low | 43.4 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | -85.9 | 107 | 179.2 | -37 | 177.8 | 0 | 0 | 0 | 107.7 | T5 S9 | T5-I7 PolarHBondContact O-N 3.24Å; I7-S9 PolarHBondContact O-N 2.68Å | ||
| 8 | H | 35.3 | Very low | 43.5 | Very low | 173 Ų | 173 | 140 Ų | 140 | 80% | 0.801 | 73% | 0.726 | S | S | * | * | trans | -72.7 | 88 | 175.7 | -88 | -89.4 | 0 | 0 | 0 | 110.8 | I6 | I6-H8 PolarHBondContact O-N 2.88Š| ||
| 9 | S | 46.8 | Very low | 43.3 | Very low | 74 Ų | 74 | 141.8 Ų | 141.8 | 52% | 0.517 | 73% | 0.731 | S | S | . | * | trans | -95.3 | 118.3 | 150.2 | 64.5 | 0 | 0 | 0 | 0 | 107.5 | I7 Q11 | I7-S9 PolarHBondContact O-N 2.68Å; S9-Q11 PolarHBondContact O-N 2.88Å | ||
| 10 | G | 37.6 | Very low | 43.3 | Very low | 70 Ų | 70 | 141.8 Ų | 141.8 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -34.1 | 117.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | F12 | G10-F12 PolarHBondContact O-N 3.18Š|
| 11 | Q | 47.4 | Very low | 42.7 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46 | -2.2 | 154 | -147.9 | 72.6 | -12.1 | 0 | 0 | 121.2 | S9 | S9-Q11 PolarHBondContact O-N 2.88Š|
| 12 | F | 47.1 | Very low | 42.8 | Very low | 148 Ų | 148 | 136 Ų | 136 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | -5.5 | -175.3 | -153.5 | -105.7 | 0 | 0 | 0 | 116 | G10 | G10-F12 PolarHBondContact O-N 3.18Š|
| 13 | M | 38 | Very low | 42.7 | Very low | 91 Ų | 91 | 133.2 Ų | 133.2 | 45% | 0.448 | 71% | 0.708 | S | S | . | * | trans | -145.7 | 29.7 | -173 | -69.2 | -174.4 | 56.9 | 0 | 0 | 115.9 | S15 W92 | M13-S15 PolarHBondContact O-N 2.72Å; M13-W92 HydrophobicContact CE-CH2 4.19Å; M13-W92 HydrophobicContact CE-CZ3 3.64Å | ||
| 14 | S | 38.2 | Very low | 42.3 | Very low | 84 Ų | 84 | 132.5 Ų | 132.5 | 59% | 0.587 | 71% | 0.708 | S | S | * | * | trans | -79.6 | 87.3 | 175.1 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 15 | S | 38.9 | Very low | 41.6 | Very low | 73 Ų | 73 | 134.9 Ų | 134.9 | 51% | 0.51 | 72% | 0.719 | S | S | . | * | trans | -84.7 | 124.2 | 161.1 | 59.6 | 0 | 0 | 0 | 0 | 109.1 | M13 V17 | M13-S15 PolarHBondContact O-N 2.72Å; S15-V17 PolarHBondContact O-N 2.75Å | ||
| 16 | H | 40.9 | Very low | 41.2 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | trans | -62.8 | 128.6 | 169.5 | -70.7 | 61.5 | 0 | 0 | 0 | 107.8 | H18 | H16-H18 PolarHBondContact O-N 3.31Š| ||
| 17 | V | 45.1 | Very low | 40.5 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | trans | -70 | 83.2 | 171.5 | -179.2 | 0 | 0 | 0 | 0 | 106.1 | S15 E19 | S15-V17 PolarHBondContact O-N 2.75Å; V17-E19 PolarHBondContact O-N 3.48Å | ||
| 18 | H | 45.4 | Very low | 40.2 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | trans | -72.3 | 112.4 | 170.6 | -76.5 | -22 | 0 | 0 | 0 | 107.8 | H16 V20 | H16-H18 PolarHBondContact O-N 3.31Å; H18-V20 PolarHBondContact O-N 2.95Å | ||
| 19 | E | 38.6 | Very low | 39.8 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -43.8 | 122.1 | 165.3 | -131.1 | 170.5 | -171 | 0 | 0 | 108.1 | V17 K21 | V17-E19 PolarHBondContact O-N 3.48Å; E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.01Å | ||
| 20 | V | 43.7 | Very low | 39.4 | Very low | 140 Ų | 140 | 141 Ų | 141 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | trans | -62.1 | 96.2 | -179.1 | 177.9 | 0 | 0 | 0 | 0 | 107.6 | H18 A22 | H18-V20 PolarHBondContact O-N 2.95Å; V20-A22 PolarHBondContact O-N 3.06Å | ||
| 21 | K | 30.9 | Very low | 39.3 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | -78.7 | 114.6 | 157.5 | -79.3 | -171.9 | 171.7 | -171.1 | 0 | 106.9 | E19 E23 | E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.01Å; K21-E23 HydrophobicContact CB-CG 4.32Å; K21-E23 PolarHBondContact O-N 2.81Å | ||
| 22 | A | 41.1 | Very low | 38.5 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | trans | -67.6 | 84.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | V20 | V20-A22 PolarHBondContact O-N 3.06Š| ||
| 23 | E | 39.6 | Very low | 37.8 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | trans | -112.6 | 92.1 | 169.2 | -71.8 | 179 | -160.8 | 0 | 0 | 106.7 | K21 | K21-E23 HydrophobicContact CB-CG 4.32Å; K21-E23 PolarHBondContact O-N 2.81Å | ||
| 24 | E | 38.9 | Very low | 37.3 | Very low | 186 Ų | 186 | 138.8 Ų | 138.8 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | trans | 37.9 | 110.5 | 143.7 | -63 | 175.6 | 177.9 | 0 | 0 | 117.8 | E26 | E24-E26 PolarHBondContact O-N 3.03Š| ||
| 25 | E | 40.1 | Very low | 37 | Very low | 200 Ų | 200 | 141.4 Ų | 141.4 | 94% | 0.935 | 76% | 0.76 | S | S | * | * | trans | -61.4 | 97.4 | 168 | -62.3 | 178.1 | 167.3 | 0 | 0 | 109.4 | E27 | E25-E27 PolarHBondContact O-N 3.4Š| ||
| 26 | E | 35.7 | Very low | 36.8 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -74.8 | 105.8 | 169.1 | -157 | 175 | -158.8 | 0 | 0 | 108.5 | E24 I28 | E24-E26 PolarHBondContact O-N 3.03Å; E26-I28 PolarHBondContact O-N 3.39Å | ||
| 27 | E | 34.6 | Very low | 36.6 | Very low | 185 Ų | 185 | 147 Ų | 147 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -64.9 | 96 | 174.7 | -176.4 | 175.3 | -165.4 | 0 | 0 | 109.6 | E25 D29 | E25-E27 PolarHBondContact O-N 3.4Å; E27-D29 PolarHBondContact O-N 3.11Å | ||
| 28 | I | 39.5 | Very low | 36 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 67% | 0.672 | 77% | 0.771 | S | S | * | * | trans | -82.6 | 103 | 171.3 | -57.4 | 176.6 | 0 | 0 | 0 | 108.3 | E26 I30 | E26-I28 PolarHBondContact O-N 3.39Å; I28-I30 HydrophobicContact CG2-CD1 4.44Å; I28-I30 HydrophobicContact CG2-CG1 3.9Å; I28-I30 PolarHBondContact O-N 3.11Å | ||
| 29 | D | 26.8 | Very low | 35.7 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -69.6 | 100.3 | 170.9 | -163.8 | 13.3 | 0 | 0 | 0 | 109.6 | E27 | E27-D29 PolarHBondContact O-N 3.11Š| ||
| 30 | I | 39.7 | Very low | 35.7 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | trans | -96 | 100.1 | 173.6 | -58.2 | -179.1 | 0 | 0 | 0 | 108.4 | I28 S32 | I28-I30 HydrophobicContact CG2-CD1 4.44Å; I28-I30 HydrophobicContact CG2-CG1 3.9Å; I28-I30 PolarHBondContact O-N 3.11Å; I30-S32 PolarHBondContact O-N 3.19Å | ||
| 31 | V | 35.2 | Very low | 35.3 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | trans | -56.3 | 117.3 | 167.3 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 32 | S | 31.3 | Very low | 35.8 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | 24.1 | 113.7 | 142 | -161 | 0 | 0 | 0 | 0 | 117.9 | I30 | I30-S32 PolarHBondContact O-N 3.19Š| ||
| 33 | D | 30.8 | Very low | 35.6 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | -175 | 136.9 | 95.4 | -155.8 | -1.1 | 0 | 0 | 0 | 110.6 | |||||
| 34 | G | 29.2 | Very low | 35.6 | Very low | 60 Ų | 60 | 135.7 Ų | 135.7 | 62% | 0.619 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 107.7 | 77.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 35 | V | 30.8 | Very low | 35.5 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | trans | 64.7 | 79.1 | 148.2 | -163.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 36 | I | 35.8 | Very low | 35.6 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | trans | -86.1 | 96.7 | 159.1 | -60.8 | 176.3 | 0 | 0 | 0 | 107.6 | G38 A39 | I36-G38 VanDerWaalsContact C-N 3.3Å; I36-G38 PolarHBondContact O-N 3.22Å; I36-A39 HydrophobicContact CG2-CB 4.08Å; I36-A39 VanDerWaalsContact CG2-N 3.31Å | ||
| 37 | E | 34.7 | Very low | 36.2 | Very low | 192 Ų | 192 | 128.5 Ų | 128.5 | 90% | 0.897 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -75.9 | 94.1 | 151.4 | -98.6 | -171.2 | 169.5 | 0 | 0 | 107.2 | ||
| 38 | G | 33.7 | Very low | 36.7 | Very low | 52 Ų | 52 | 123.6 Ų | 123.6 | 54% | 0.536 | 70% | 0.699 | S | S | . | * | trans | 59.8 | 84.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I36 I40 | I36-G38 VanDerWaalsContact C-N 3.3Å; I36-G38 PolarHBondContact O-N 3.22Å; G38-I40 PolarHBondContact O-N 2.87Å | ||
| 39 | A | 38.5 | Very low | 37.4 | Very low | 83 Ų | 83 | 124.4 Ų | 124.4 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | trans | -60.1 | 82.3 | 143.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | I36 K41 | I36-A39 HydrophobicContact CG2-CB 4.08Å; I36-A39 VanDerWaalsContact CG2-N 3.31Å; A39-K41 PolarHBondContact O-N 3.29Å | ||
| 40 | I | 39.4 | Very low | 38.8 | Very low | 123 Ų | 123 | 123 Ų | 123 | 63% | 0.631 | 70% | 0.697 | S | S | * | * | trans | -65.9 | 91.2 | 172.4 | -62.1 | 172.5 | 0 | 0 | 0 | 104 | G38 I42 | G38-I40 PolarHBondContact O-N 2.87Å; I40-I42 HydrophobicContact CG2-CG1 4.3Å; I40-I42 PolarHBondContact O-N 2.87Å | ||
| 41 | K | 34.3 | Very low | 39.6 | Very low | 184 Ų | 184 | 119 Ų | 119 | 80% | 0.8 | 68% | 0.681 | S | S | * | * | trans | -47.6 | 106 | 145.9 | -74.2 | -178 | 179.3 | -179.4 | 0 | 103.3 | A39 V43 | A39-K41 PolarHBondContact O-N 3.29Å; K41-V43 HydrophobicContact CB-CG2 4.36Å; K41-V43 PolarHBondContact O-N 3.41Å | ||
| 42 | I | 41.9 | Very low | 40.8 | Very low | 116 Ų | 116 | 115.6 Ų | 115.6 | 60% | 0.595 | 66% | 0.66 | S | S | * | * | trans | -65.8 | 82.2 | 166.3 | -58.2 | 171.9 | 0 | 0 | 0 | 103.1 | I40 P44 | I40-I42 HydrophobicContact CG2-CG1 4.3Å; I40-I42 PolarHBondContact O-N 2.87Å; I42-P44 VanDerWaalsContact O-CD 3.3Å; I42-P44 WeakPolarHBondContact O-CD 3.3Å; I42-P44 VanDerWaalsContact O-N 3.11Å | ||
| 43 | V | 37.8 | Very low | 42.4 | Very low | 112 Ų | 112 | 114.5 Ų | 114.5 | 68% | 0.679 | 65% | 0.649 | S | S | * | * | trans | -55.1 | 119.1 | 167.7 | 176.6 | 0 | 0 | 0 | 0 | 103.2 | K41 D45 | K41-V43 HydrophobicContact CB-CG2 4.36Å; K41-V43 PolarHBondContact O-N 3.41Å; V43-D45 PolarHBondContact O-N 2.91Å | ||
| 44 | P | 38.6 | Very low | 44.4 | Very low | 99 Ų | 99 | 113.8 Ų | 113.8 | 64% | 0.643 | 64% | 0.639 | S | S | * | * | trans | -57.4 | 110.1 | 170.7 | -13.6 | 26.6 | 0 | 0 | 0 | 104.8 | I42 A46 | I42-P44 VanDerWaalsContact O-CD 3.3Å; I42-P44 WeakPolarHBondContact O-CD 3.3Å; I42-P44 VanDerWaalsContact O-N 3.11Å; P44-A46 VanDerWaalsContact C-N 3.35Å; P44-A46 PolarHBondContact O-N 3.44Å | ||
| 45 | D | 36.7 | Very low | 46.1 | Very low | 106 Ų | 106 | 117.3 Ų | 117.3 | 57% | 0.567 | 63% | 0.634 | S | S | * | * | trans | -56.1 | 110.2 | 166.5 | -177.5 | 10.9 | 0 | 0 | 0 | 105.2 | V43 R47 D48 | V43-D45 PolarHBondContact O-N 2.91Å; D45-R47 PolarHBondContact O-N 2.8Å; D45-D48 PolarHBondContact O-N 2.99Å | ||
| 46 | A | 42 | Very low | 48.1 | Very low | 88 Ų | 88 | 116.7 Ų | 116.7 | 73% | 0.727 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 15.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P44 | P44-A46 VanDerWaalsContact C-N 3.35Å; P44-A46 PolarHBondContact O-N 3.44Å |
| 47 | R | 48 | Very low | 49.8 | Very low | 216 Ų | 216 | 114.2 Ų | 114.2 | 82% | 0.815 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -7.8 | 178 | -64.9 | -174.4 | 171.7 | -179.1 | -0.7 | 114.1 | D45 D49 | D45-R47 PolarHBondContact O-N 2.8Å; R47-D49 PolarHBondContact O-N 3.41Å |
| 48 | D | 46.9 | Very low | 51.4 | Low | 81 Ų | 81 | 106.6 Ų | 106.6 | 43% | 0.433 | 58% | 0.577 | S | S | . | * | trans | -100.8 | 65.6 | 171.9 | -101.9 | -16.2 | 0 | 0 | 0 | 110.2 | D45 N50 | D45-D48 PolarHBondContact O-N 2.99Å; D48-N50 PolarHBondContact O-N 3.08Å | ||
| 49 | D | 53.3 | Low | 53.3 | Low | 148 Ų | 148 | 109.8 Ų | 109.8 | 79% | 0.791 | 59% | 0.589 | S | S | * | * | trans | -64.2 | 81.1 | 158.4 | -75.9 | -32.5 | 0 | 0 | 0 | 108.2 | R47 | R47-D49 PolarHBondContact O-N 3.41Š| ||
| 50 | N | 56.2 | Low | 54.9 | Low | 111 Ų | 111 | 115.8 Ų | 115.8 | 59% | 0.594 | 60% | 0.599 | S | S | * | * | trans | 42 | 62.7 | 158.1 | -101.7 | 53.7 | 0 | 0 | 0 | 116.7 | D48 V52 | D48-N50 PolarHBondContact O-N 3.08Å; N50-V52 PolarHBondContact O-N 3.34Å | ||
| 51 | P | 55.7 | Low | 56 | Low | 61 Ų | 61 | 112.8 Ų | 112.8 | 40% | 0.396 | 59% | 0.587 | S | S | . | * | trans | -74.1 | 84.2 | 168.3 | 24.6 | -24.1 | 0 | 0 | 0 | 109.6 | T53 T69 | P51-T53 PolarHBondContact O-N 3.24Å; P51-T69 HydrophobicContact CB-CG2 4.32Å; P51-T69 HydrophobicContact CG-CG2 3.52Å; P51-T69 WeakPolarHBondContact O-CG2 3.29Å | ||
| 52 | V | 61 | Low | 57.6 | Low | 44 Ų | 44 | 109.8 Ų | 109.8 | 27% | 0.267 | 59% | 0.589 | S | S | . | * | trans | -57.2 | 112.7 | 166.5 | 172.8 | 0 | 0 | 0 | 0 | 107.5 | N50 F54 A66 | N50-V52 PolarHBondContact O-N 3.34Å; V52-F54 HydrophobicContact CB-CE2 4.27Å; V52-F54 HydrophobicContact CG1-CD2 4.22Å; V52-F54 HydrophobicContact CG1-CE2 3.84Å; V52-F54 HydrophobicContact CG1-CZ 4Å; V52-F54 WeakPolarHBondContact O-CD2 3.44Å; V52-F54 PolarHBondContact O-N 2.86Å; V52-A66 HydrophobicContact CG1-CB 3.2Å | ||
| 53 | T | 65.7 | Low | 58.5 | Low | 79 Ų | 79 | 111.1 Ų | 111.1 | 49% | 0.485 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 116.2 | 177.1 | 52.2 | 0 | 0 | 0 | 0 | 108.8 | P51 Y55 I67 | P51-T53 PolarHBondContact O-N 3.24Å; T53-Y55 PolarHBondContact O-N 3.3Å; T53-I67 PolarHBondContact N-O 3.42Å; T53-I67 PolarHBondContact O-N 2.89Å; T53-I67 WeakPolarHBondContact OG1-CB 3.49Å; T53-I67 PolarHBondContact OG1-O 3.08Å |
| 54 | F | 71.2 | Confident | 59.9 | Low | 150 Ų | 150 | 109 Ų | 109 | 66% | 0.658 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.7 | 113.1 | 179.9 | -75.4 | -89.6 | 0 | 0 | 0 | 110.4 | V52 A66 | V52-F54 HydrophobicContact CB-CE2 4.27Å; V52-F54 HydrophobicContact CG1-CD2 4.22Å; V52-F54 HydrophobicContact CG1-CE2 3.84Å; V52-F54 HydrophobicContact CG1-CZ 4Å; V52-F54 WeakPolarHBondContact O-CD2 3.44Å; V52-F54 PolarHBondContact O-N 2.86Å; F54-A66 HydrophobicContact CE1-CB 4.33Å |
| 55 | Y | 65.2 | Low | 61.4 | Low | 134 Ų | 134 | 108.4 Ų | 108.4 | 53% | 0.525 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 122.8 | 171.3 | -166.9 | -94.3 | 0 | 0 | 0 | 109.7 | T53 F57 S64 I65 I67 | T53-Y55 PolarHBondContact O-N 3.3Å; Y55-F57 HydrophobicContact CD1-CD1 4.29Å; Y55-F57 HydrophobicContact CD1-CE1 4.38Å; Y55-F57 HydrophobicContact CE1-CD1 4.16Å; Y55-F57 HydrophobicContact CE1-CE1 4.42Å; Y55-S64 CarbonylContact O-C 3.56Å; Y55-S64 VanDerWaalsContact O-CA 3.29Å; Y55-S64 WeakPolarHBondContact O-CA 3.14Å; Y55-I65 PolarHBondContact N-O 3.34Å; Y55-I65 PolarHBondContact O-N 2.81Å; Y55-I67 HydrophobicContact CG-CD1 4.49Å |
| 56 | K | 72.6 | Confident | 62.6 | Low | 125 Ų | 125 | 105.6 Ų | 105.6 | 54% | 0.543 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.9 | 175.7 | -172.8 | 178.5 | 176.5 | -179.6 | 0 | 109.6 | G58 T61 | K56-G58 VanDerWaalsContact C-N 3.27Å; K56-G58 WeakPolarHBondContact CE-O 3.41Å; K56-G58 PolarHBondContact O-N 3.34Å; K56-T61 WeakPolarHBondContact CE-O 3.45Å |
| 57 | F | 72.3 | Confident | 63.6 | Low | 94 Ų | 94 | 104.5 Ų | 104.5 | 41% | 0.412 | 55% | 0.546 | S | S | . | . | trans | -75.5 | 80.1 | 176.4 | -71 | -67.8 | 0 | 0 | 0 | 111.4 | Y55 T61 Q63 I65 | Y55-F57 HydrophobicContact CD1-CD1 4.29Å; Y55-F57 HydrophobicContact CD1-CE1 4.38Å; Y55-F57 HydrophobicContact CE1-CD1 4.16Å; Y55-F57 HydrophobicContact CE1-CE1 4.42Å; F57-T61 VanDerWaalsContact CB-OG1 3.23Å; F57-T61 WeakPolarHBondContact CB-OG1 3.16Å; F57-T61 WeakPolarHBondContact O-CB 3.49Å; F57-T61 PolarHBondContact O-OG1 2.83Å; F57-Q63 HydrophobicContact CD2-CB 4.45Å; F57-Q63 WeakPolarHBondContact CD2-O 3.37Å; F57-Q63 PolarHBondContact N-O 2.69Å; F57-I65 HydrophobicContact CD2-CG1 4.46Å; F57-I65 HydrophobicContact CE2-CB 4.41Å; F57-I65 HydrophobicContact CE2-CD1 3.29Å; F57-I65 HydrophobicContact CE2-CG1 3.48Å; F57-I65 VanDerWaalsContact CE2-CG1 3.48Å; F57-I65 HydrophobicContact CZ-CD1 3.31Å; F57-I65 HydrophobicContact CZ-CG1 3.96Å | ||
| 58 | G | 67.7 | Low | 64.4 | Low | 33 Ų | 33 | 96.9 Ų | 96.9 | 34% | 0.34 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -179.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K56 K60 | K56-G58 VanDerWaalsContact C-N 3.27Å; K56-G58 WeakPolarHBondContact CE-O 3.41Å; K56-G58 PolarHBondContact O-N 3.34Å; G58-K60 PolarHBondContact O-N 2.7Å |
| 59 | P | 74.1 | Confident | 65.2 | Low | 119 Ų | 119 | 94.2 Ų | 94.2 | 77% | 0.773 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -29.6 | -173.2 | -17.8 | 30.8 | 0 | 0 | 0 | 113.7 | ||
| 60 | K | 71.9 | Confident | 65.9 | Low | 209 Ų | 209 | 88.5 Ų | 88.5 | 91% | 0.909 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -5.8 | -167.8 | -63.2 | -174.8 | -179.1 | 179.6 | 0 | 114.8 | G58 | G58-K60 PolarHBondContact O-N 2.7Š|
| 61 | T | 61.7 | Low | 66.4 | Low | 60 Ų | 60 | 86.2 Ų | 86.2 | 37% | 0.368 | 47% | 0.467 | S | S | . | . | trans | -114.1 | 137.1 | 177.1 | 85.4 | 0 | 0 | 0 | 0 | 110.3 | K56 F57 Q63 | K56-T61 WeakPolarHBondContact CE-O 3.45Å; F57-T61 VanDerWaalsContact CB-OG1 3.23Å; F57-T61 WeakPolarHBondContact CB-OG1 3.16Å; F57-T61 WeakPolarHBondContact O-CB 3.49Å; F57-T61 PolarHBondContact O-OG1 2.83Å; T61-Q63 VanDerWaalsContact C-N 3.25Å | ||
| 62 | S | 68.3 | Low | 67.1 | Low | 121 Ų | 121 | 87.3 Ų | 87.3 | 85% | 0.846 | 47% | 0.473 | S | S | * | . | trans | -86.1 | 2.9 | 174.6 | 38.2 | 0 | 0 | 0 | 0 | 112.5 | S64 | S62-S64 PolarHBondContact O-N 3.21Š| ||
| 63 | Q | 62.1 | Low | 68 | Low | 144 Ų | 144 | 90 Ų | 90 | 67% | 0.673 | 48% | 0.481 | S | S | * | . | trans | -84.8 | 115.7 | 179.6 | -63.4 | -175.6 | 3.1 | 0 | 0 | 109.4 | F57 T61 | F57-Q63 HydrophobicContact CD2-CB 4.45Å; F57-Q63 WeakPolarHBondContact CD2-O 3.37Å; F57-Q63 PolarHBondContact N-O 2.69Å; T61-Q63 VanDerWaalsContact C-N 3.25Å | ||
| 64 | S | 65.7 | Low | 68.5 | Low | 68 Ų | 68 | 86.7 Ų | 86.7 | 48% | 0.476 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.2 | 172.3 | 58.6 | 0 | 0 | 0 | 0 | 110 | Y55 S62 | Y55-S64 CarbonylContact O-C 3.56Å; Y55-S64 VanDerWaalsContact O-CA 3.29Å; Y55-S64 WeakPolarHBondContact O-CA 3.14Å; S62-S64 PolarHBondContact O-N 3.21Å |
| 65 | I | 69.8 | Low | 68.7 | Low | 85 Ų | 85 | 81 Ų | 81 | 44% | 0.436 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128.2 | 170.5 | -66.8 | -176.7 | 0 | 0 | 0 | 109.1 | Y55 F57 I67 | Y55-I65 PolarHBondContact N-O 3.34Å; Y55-I65 PolarHBondContact O-N 2.81Å; F57-I65 HydrophobicContact CD2-CG1 4.46Å; F57-I65 HydrophobicContact CE2-CB 4.41Å; F57-I65 HydrophobicContact CE2-CD1 3.29Å; F57-I65 HydrophobicContact CE2-CG1 3.48Å; F57-I65 VanDerWaalsContact CE2-CG1 3.48Å; F57-I65 HydrophobicContact CZ-CD1 3.31Å; F57-I65 HydrophobicContact CZ-CG1 3.96Å; I65-I67 HydrophobicContact CG2-CG1 4.5Å; I65-I67 PolarHBondContact O-N 3.43Å |
| 66 | A | 63.2 | Low | 69.4 | Low | 47 Ų | 47 | 80.1 Ų | 80.1 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 111.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V52 F54 | V52-A66 HydrophobicContact CG1-CB 3.2Å; F54-A66 HydrophobicContact CE1-CB 4.33Å |
| 67 | I | 61.8 | Low | 69.6 | Low | 66 Ų | 66 | 74.8 Ų | 74.8 | 34% | 0.338 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 106.3 | 168.9 | -57.3 | 175 | 0 | 0 | 0 | 107.2 | T53 Y55 I65 L71 | T53-I67 PolarHBondContact N-O 3.42Å; T53-I67 PolarHBondContact O-N 2.89Å; T53-I67 WeakPolarHBondContact OG1-CB 3.49Å; T53-I67 PolarHBondContact OG1-O 3.08Å; Y55-I67 HydrophobicContact CG-CD1 4.49Å; I65-I67 HydrophobicContact CG2-CG1 4.5Å; I65-I67 PolarHBondContact O-N 3.43Å; I67-L71 HydrophobicContact CG2-CD2 4.15Å |
| 68 | D | 65.6 | Low | 70 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | trans | -62.4 | 137.5 | 175.7 | -71.1 | -30.3 | 0 | 0 | 0 | 110.9 | S70 L71 R107 | D68-S70 WeakPolarHBondContact CB-OG 3.49Å; D68-S70 PolarHBondContact O-N 3.15Å; D68-S70 VanDerWaalsContact O-N 3.08Å; D68-L71 WeakPolarHBondContact O-CB 3.4Å; D68-L71 PolarHBondContact O-N 3Å; D68-R107 IonicContact OD2-NH1 2.87Å | ||
| 69 | T | 63.7 | Low | 70.5 | Confident | 25 Ų | 25 | 74.3 Ų | 74.3 | 15% | 0.153 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -19.7 | 165.7 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | P51 L71 T72 K73 | P51-T69 HydrophobicContact CB-CG2 4.32Å; P51-T69 HydrophobicContact CG-CG2 3.52Å; P51-T69 WeakPolarHBondContact O-CG2 3.29Å; T69-L71 PolarHBondContact O-N 3.31Å; T69-T72 PolarHBondContact O-N 3.39Å; T69-T72 VanDerWaalsContact O-N 3.11Å; T69-K73 PolarHBondContact O-N 3.16Å |
| 70 | S | 68.1 | Low | 70.6 | Confident | 28 Ų | 28 | 75.4 Ų | 75.4 | 20% | 0.196 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -53.9 | -33 | 171.4 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | D68 T72 K73 L74 | D68-S70 WeakPolarHBondContact CB-OG 3.49Å; D68-S70 PolarHBondContact O-N 3.15Å; D68-S70 VanDerWaalsContact O-N 3.08Å; S70-T72 VanDerWaalsContact C-N 3.33Å; S70-T72 PolarHBondContact O-N 3.11Å; S70-K73 CarbonylContact O-C 3.58Å; S70-K73 WeakPolarHBondContact O-CB 3.1Å; S70-K73 PolarHBondContact O-N 3.02Å; S70-K73 VanDerWaalsContact O-N 3.11Å; S70-L74 WeakPolarHBondContact O-CG 3.47Å; S70-L74 PolarHBondContact O-N 3.5Å |
| 71 | L | 65.8 | Low | 70.7 | Confident | 63 Ų | 63 | 68.2 Ų | 68.2 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 178.4 | -173.9 | 63.5 | 0 | 0 | 0 | 112.6 | I67 D68 T69 L74 N75 | I67-L71 HydrophobicContact CG2-CD2 4.15Å; D68-L71 WeakPolarHBondContact O-CB 3.4Å; D68-L71 PolarHBondContact O-N 3Å; T69-L71 PolarHBondContact O-N 3.31Å; L71-L74 PolarHBondContact O-N 2.81Å; L71-N75 WeakPolarHBondContact O-CB 3.45Å; L71-N75 VanDerWaalsContact O-CG 3.24Å; L71-N75 PolarHBondContact O-N 3.39Å; L71-N75 PolarHBondContact O-ND2 3.47Å |
| 72 | T | 70.9 | Confident | 71.2 | Confident | 84 Ų | 84 | 66.8 Ų | 66.8 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 176.2 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | T69 S70 L74 N75 K76 | T69-T72 PolarHBondContact O-N 3.39Å; T69-T72 VanDerWaalsContact O-N 3.11Å; S70-T72 VanDerWaalsContact C-N 3.33Å; S70-T72 PolarHBondContact O-N 3.11Å; T72-L74 VanDerWaalsContact C-N 3.34Å; T72-N75 PolarHBondContact O-N 3.26Å; T72-K76 WeakPolarHBondContact O-CG 3.42Å; T72-K76 PolarHBondContact O-N 3Å |
| 73 | K | 79.9 | Confident | 71 | Confident | 102 Ų | 102 | 70 Ų | 70 | 44% | 0.443 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 173.5 | -64.7 | 179.8 | -179.4 | 174.5 | 0 | 110.8 | T69 S70 K76 C77 | T69-K73 PolarHBondContact O-N 3.16Å; S70-K73 CarbonylContact O-C 3.58Å; S70-K73 WeakPolarHBondContact O-CB 3.1Å; S70-K73 PolarHBondContact O-N 3.02Å; S70-K73 VanDerWaalsContact O-N 3.11Å; K73-K76 WeakPolarHBondContact O-CB 3.21Å; K73-K76 PolarHBondContact O-N 3.39Å; K73-C77 PolarHBondContact O-N 2.61Å; K73-C77 PolarHBondContact O-SG 3.34Å |
| 74 | L | 76.4 | Confident | 71.1 | Confident | 9 Ų | 9 | 70.2 Ų | 70.2 | 5% | 0.047 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 176.6 | -66.9 | 173.8 | 0 | 0 | 0 | 112.9 | S70 L71 T72 C77 I78 D104 R107 L108 | S70-L74 WeakPolarHBondContact O-CG 3.47Å; S70-L74 PolarHBondContact O-N 3.5Å; L71-L74 PolarHBondContact O-N 2.81Å; T72-L74 VanDerWaalsContact C-N 3.34Å; L74-C77 WeakPolarHBondContact O-CB 3.35Å; L74-C77 PolarHBondContact O-N 3.48Å; L74-C77 VanDerWaalsContact O-N 3.16Å; L74-I78 PolarHBondContact O-N 3.45Å; L74-I78 VanDerWaalsContact O-N 3.11Å; L74-D104 HydrophobicContact CD2-CB 3.54Å; L74-R107 HydrophobicContact CD1-CB 4.33Å; L74-L108 HydrophobicContact CB-CD1 4.18Å |
| 75 | N | 76.4 | Confident | 71 | Confident | 29 Ų | 29 | 67.4 Ų | 67.4 | 16% | 0.155 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 176.2 | -73.9 | -20.3 | 0 | 0 | 0 | 111.4 | L71 T72 C77 I78 Q79 | L71-N75 WeakPolarHBondContact O-CB 3.45Å; L71-N75 VanDerWaalsContact O-CG 3.24Å; L71-N75 PolarHBondContact O-N 3.39Å; L71-N75 PolarHBondContact O-ND2 3.47Å; T72-N75 PolarHBondContact O-N 3.26Å; N75-C77 VanDerWaalsContact C-N 3.29Å; N75-C77 PolarHBondContact O-N 3.21Å; N75-I78 PolarHBondContact O-N 3.06Å; N75-Q79 WeakPolarHBondContact O-CG 3.23Å; N75-Q79 PolarHBondContact O-N 3Å; N75-Q79 VanDerWaalsContact O-N 3.08Å |
| 76 | K | 80.2 | Confident | 71 | Confident | 117 Ų | 117 | 68 Ų | 68 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58 | -42.8 | 171.6 | -71.5 | 178.6 | -179.9 | -177.7 | 0 | 110.7 | T72 K73 I78 Q79 F80 | T72-K76 WeakPolarHBondContact O-CG 3.42Å; T72-K76 PolarHBondContact O-N 3Å; K73-K76 WeakPolarHBondContact O-CB 3.21Å; K73-K76 PolarHBondContact O-N 3.39Å; K76-I78 PolarHBondContact O-N 3.12Å; K76-Q79 PolarHBondContact O-N 3.29Å; K76-Q79 VanDerWaalsContact O-N 3.15Å; K76-F80 HydrophobicContact CB-CD2 4.36Å; K76-F80 HydrophobicContact CB-CE2 4.37Å; K76-F80 WeakPolarHBondContact O-CD2 3.42Å; K76-F80 PolarHBondContact O-N 3.45Å |
| 77 | C | 76.3 | Confident | 71.7 | Confident | 13 Ų | 13 | 65.8 Ų | 65.8 | 9% | 0.088 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 176.8 | -66.6 | 0 | 0 | 0 | 0 | 113 | K73 L74 N75 F80 V81 I100 | K73-C77 PolarHBondContact O-N 2.61Å; K73-C77 PolarHBondContact O-SG 3.34Å; L74-C77 WeakPolarHBondContact O-CB 3.35Å; L74-C77 PolarHBondContact O-N 3.48Å; L74-C77 VanDerWaalsContact O-N 3.16Å; N75-C77 VanDerWaalsContact C-N 3.29Å; N75-C77 PolarHBondContact O-N 3.21Å; C77-F80 PolarHBondContact O-N 3.29Å; C77-V81 WeakPolarHBondContact O-CB 3.16Å; C77-V81 WeakPolarHBondContact O-CG2 3.44Å; C77-V81 PolarHBondContact O-N 2.88Å; C77-I100 HydrophobicContact CB-CD1 3.96Å |
| 78 | I | 79.8 | Confident | 72.4 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 173.6 | -85.5 | 163.4 | 0 | 0 | 0 | 110.9 | L74 N75 K76 F80 V81 Y82 L108 V111 I112 C129 | L74-I78 PolarHBondContact O-N 3.45Å; L74-I78 VanDerWaalsContact O-N 3.11Å; N75-I78 PolarHBondContact O-N 3.06Å; K76-I78 PolarHBondContact O-N 3.12Å; I78-F80 VanDerWaalsContact C-N 3.26Å; I78-F80 PolarHBondContact O-N 3Å; I78-V81 PolarHBondContact O-N 2.98Å; I78-Y82 HydrophobicContact CG2-CD2 4.25Å; I78-Y82 WeakPolarHBondContact O-CD2 3.34Å; I78-Y82 PolarHBondContact O-N 2.85Å; I78-L108 HydrophobicContact CD1-CD1 3.22Å; I78-L108 HydrophobicContact CD1-CG 3.79Å; I78-L108 HydrophobicContact CG1-CD1 3.45Å; I78-L108 VanDerWaalsContact CG1-CD1 3.45Å; I78-L108 HydrophobicContact CG1-CD2 4.04Å; I78-L108 HydrophobicContact CG1-CG 3.73Å; I78-V111 HydrophobicContact CD1-CG1 4.13Å; I78-I112 HydrophobicContact CD1-CG1 4.48Å; I78-C129 HydrophobicContact CG2-CB 4.32Å; I78-C129 WeakPolarHBondContact CG2-SG 3.39Å |
| 79 | Q | 78.5 | Confident | 73 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.1 | -32.1 | -178.4 | -70.1 | 175.8 | -12.6 | 0 | 0 | 112.7 | N75 K76 Y82 | N75-Q79 WeakPolarHBondContact O-CG 3.23Å; N75-Q79 PolarHBondContact O-N 3Å; N75-Q79 VanDerWaalsContact O-N 3.08Å; K76-Q79 PolarHBondContact O-N 3.29Å; K76-Q79 VanDerWaalsContact O-N 3.15Å; Q79-Y82 CarbonylContact C-O 3.57Å; Q79-Y82 CarbonylContact O-C 3.58Å |
| 80 | F | 77.2 | Confident | 73.8 | Confident | 141 Ų | 141 | 70.2 Ų | 70.2 | 62% | 0.618 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -74.9 | -44.1 | 174.4 | -83.7 | -68 | 0 | 0 | 0 | 112.9 | K76 C77 I78 Y82 | K76-F80 HydrophobicContact CB-CD2 4.36Å; K76-F80 HydrophobicContact CB-CE2 4.37Å; K76-F80 WeakPolarHBondContact O-CD2 3.42Å; K76-F80 PolarHBondContact O-N 3.45Å; C77-F80 PolarHBondContact O-N 3.29Å; I78-F80 VanDerWaalsContact C-N 3.26Å; I78-F80 PolarHBondContact O-N 3Å; F80-Y82 VanDerWaalsContact C-N 3.34Å; F80-Y82 PolarHBondContact O-N 3.21Å |
| 81 | V | 74.3 | Confident | 74.4 | Confident | 59 Ų | 59 | 75.8 Ų | 75.8 | 36% | 0.358 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.9 | -38.1 | -177.6 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | C77 I78 F95 L98 | C77-V81 WeakPolarHBondContact O-CB 3.16Å; C77-V81 WeakPolarHBondContact O-CG2 3.44Å; C77-V81 PolarHBondContact O-N 2.88Å; I78-V81 PolarHBondContact O-N 2.98Å; V81-F95 HydrophobicContact CG1-CD1 4.26Å; V81-F95 HydrophobicContact CG1-CE1 4.27Å; V81-F95 HydrophobicContact CG2-CD1 4Å; V81-F95 HydrophobicContact CG2-CE1 4.45Å; V81-L98 HydrophobicContact CG2-CD1 3.24Å |
| 82 | Y | 72.2 | Confident | 75.1 | Confident | 29 Ų | 29 | 76.4 Ų | 76.4 | 11% | 0.114 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -108.8 | 104.9 | 177.4 | -58.9 | -79.1 | 0 | 0 | 0 | 106.6 | I78 Q79 F80 E84 G85 L87 K93 F95 I112 | I78-Y82 HydrophobicContact CG2-CD2 4.25Å; I78-Y82 WeakPolarHBondContact O-CD2 3.34Å; I78-Y82 PolarHBondContact O-N 2.85Å; Q79-Y82 CarbonylContact C-O 3.57Å; Q79-Y82 CarbonylContact O-C 3.58Å; F80-Y82 VanDerWaalsContact C-N 3.34Å; F80-Y82 PolarHBondContact O-N 3.21Å; Y82-E84 PolarHBondContact O-N 2.89Å; Y82-G85 PolarHBondContact O-N 3.28Å; Y82-L87 HydrophobicContact CD1-CD2 3.53Å; Y82-L87 HydrophobicContact CD2-CD2 3.36Å; Y82-L87 HydrophobicContact CE1-CD2 3.38Å; Y82-L87 HydrophobicContact CE2-CD2 3.21Å; Y82-L87 HydrophobicContact CG-CD2 3.5Å; Y82-L87 VanDerWaalsContact CG-CD2 3.5Å; Y82-K93 WeakPolarHBondContact OH-CG 3.15Å; Y82-F95 HydrophobicContact CE2-CE1 4.39Å; Y82-I112 HydrophobicContact CE2-CD1 4.36Å |
| 83 | Q | 64.2 | Low | 75.7 | Confident | 190 Ų | 190 | 76.5 Ų | 76.5 | 89% | 0.888 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -10.4 | -166 | -77.4 | 174.7 | -16.6 | 0 | 0 | 117.3 | ||
| 84 | E | 62.6 | Low | 75.7 | Confident | 147 Ų | 147 | 77 Ų | 77 | 69% | 0.687 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.9 | 27.3 | 168.6 | -61.8 | -174.8 | 152.7 | 0 | 0 | 112.9 | Y82 K86 | Y82-E84 PolarHBondContact O-N 2.89Å; E84-K86 HydrophobicContact CB-CD 4.34Å; E84-K86 HydrophobicContact CB-CG 4.44Å; E84-K86 PolarHBondContact O-N 3.18Å; E84-K86 WeakPolarHBondContact OE2-CE 3.08Å; E84-K86 IonicContact OE2-NZ 3.53Å; E84-K86 PolarHBondContact OE2-NZ 2.94Å |
| 85 | G | 64.8 | Low | 76 | Confident | 9 Ų | 9 | 77.2 Ų | 77.2 | 9% | 0.093 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 69.5 | 9.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y82 C129 F130 | Y82-G85 PolarHBondContact O-N 3.28Å; G85-C129 PolarHBondContact O-SG 3.04Å; G85-F130 PolarHBondContact O-N 3.36Å |
| 86 | K | 69.1 | Low | 76 | Confident | 99 Ų | 99 | 82.9 Ų | 82.9 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 108.2 | 177.5 | -72.7 | 173.6 | -178.6 | 162.8 | 0 | 110.7 | E84 | E84-K86 HydrophobicContact CB-CD 4.34Å; E84-K86 HydrophobicContact CB-CG 4.44Å; E84-K86 PolarHBondContact O-N 3.18Å; E84-K86 WeakPolarHBondContact OE2-CE 3.08Å; E84-K86 IonicContact OE2-NZ 3.53Å; E84-K86 PolarHBondContact OE2-NZ 2.94Å |
| 87 | L | 78.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 138.7 | 175.8 | -61.6 | 177.4 | 0 | 0 | 0 | 111.1 | Y82 I112 C129 F130 F131 S132 | Y82-L87 HydrophobicContact CD1-CD2 3.53Å; Y82-L87 HydrophobicContact CD2-CD2 3.36Å; Y82-L87 HydrophobicContact CE1-CD2 3.38Å; Y82-L87 HydrophobicContact CE2-CD2 3.21Å; Y82-L87 HydrophobicContact CG-CD2 3.5Å; Y82-L87 VanDerWaalsContact CG-CD2 3.5Å; L87-I112 HydrophobicContact CD1-CB 4.5Å; L87-I112 HydrophobicContact CD1-CG1 4.14Å; L87-I112 HydrophobicContact CD1-CG2 4.07Å; L87-C129 HydrophobicContact CD1-CB 4.12Å; L87-C129 WeakPolarHBondContact CD1-SG 3.24Å; L87-C129 WeakPolarHBondContact CG-SG 3.46Å; L87-F130 PolarHBondContact N-O 3.43Å; L87-F131 HydrophobicContact CB-CD1 3.56Å; L87-F131 HydrophobicContact CB-CD2 4.32Å; L87-F131 HydrophobicContact CB-CE1 3.54Å; L87-F131 HydrophobicContact CB-CE2 4.28Å; L87-F131 HydrophobicContact CB-CG 3.97Å; L87-F131 HydrophobicContact CB-CZ 3.93Å; L87-F131 HydrophobicContact CD1-CD2 4.22Å; L87-F131 HydrophobicContact CD1-CE1 4.02Å; L87-F131 HydrophobicContact CD1-CE2 3.59Å; L87-F131 HydrophobicContact CD1-CZ 3.51Å; L87-F131 HydrophobicContact CG-CE1 4.44Å; L87-F131 HydrophobicContact CG-CZ 4.39Å; L87-F131 CarbonylContact O-C 3.49Å; L87-F131 WeakPolarHBondContact O-CA 3.34Å; L87-F131 WeakPolarHBondContact O-CD1 3.42Å; L87-S132 PolarHBondContact O-N 2.97Å |
| 88 | Y | 76.6 | Confident | 76.1 | Confident | 145 Ų | 145 | 83 Ų | 83 | 57% | 0.569 | 41% | 0.409 | S | S | * | . | trans | -106.3 | -20.4 | 174 | -61.7 | -74.5 | 0 | 0 | 0 | 113.4 | S132 P134 | Y88-S132 VanDerWaalsContact CD1-O 3.23Å; Y88-S132 WeakPolarHBondContact CD1-O 3.46Å; Y88-S132 VanDerWaalsContact CE1-OG 3.24Å; Y88-S132 WeakPolarHBondContact CE1-OG 3.27Å; Y88-P134 HydrophobicContact CD1-CG 3.68Å; Y88-P134 HydrophobicContact CE1-CB 4.45Å; Y88-P134 HydrophobicContact CE1-CG 3.96Å | ||
| 89 | T | 78.1 | Confident | 76.2 | Confident | 54 Ų | 54 | 91.6 Ų | 91.6 | 33% | 0.331 | 45% | 0.454 | S | S | . | . | trans | -144.9 | 132.1 | -172.4 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | K91 F131 | T89-K91 HydrophobicContact CG2-CB 4.18Å; T89-K91 PolarHBondContact O-N 3.04Å; T89-K91 VanDerWaalsContact OG1-CB 3.27Å; T89-K91 WeakPolarHBondContact OG1-CB 2.88Å; T89-K91 PolarHBondContact OG1-N 3.42Å; T89-F131 VanDerWaalsContact C-CE1 3.5Å | ||
| 90 | P | 79.1 | Confident | 76.4 | Confident | 39 Ų | 39 | 86.9 Ų | 86.9 | 25% | 0.253 | 43% | 0.433 | S | S | . | . | trans | -78.2 | 5.7 | 173.3 | 34 | -37.3 | 0 | 0 | 0 | 112.3 | W116 F131 | P90-W116 HydrophobicContact CB-CB 3.93Å; P90-W116 HydrophobicContact CB-CD2 4.29Å; P90-W116 HydrophobicContact CB-CG 3.65Å; P90-W116 HydrophobicContact CG-CD2 4.35Å; P90-W116 HydrophobicContact CG-CG 3.99Å; P90-F131 HydrophobicContact CB-CE1 4.27Å; P90-F131 HydrophobicContact CB-CZ 4.17Å | ||
| 91 | K | 80.9 | Confident | 76.8 | Confident | 146 Ų | 146 | 83 Ų | 83 | 64% | 0.635 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -61.1 | 140.3 | -179.7 | -174.2 | 175.3 | -177.4 | 178 | 0 | 110.5 | T89 K93 | T89-K91 HydrophobicContact CG2-CB 4.18Å; T89-K91 PolarHBondContact O-N 3.04Å; T89-K91 VanDerWaalsContact OG1-CB 3.27Å; T89-K91 WeakPolarHBondContact OG1-CB 2.88Å; T89-K91 PolarHBondContact OG1-N 3.42Å; K91-K93 PolarHBondContact O-N 2.74Å |
| 92 | W | 81.8 | Confident | 77.3 | Confident | 76 Ų | 76 | 87.5 Ų | 87.5 | 29% | 0.288 | 44% | 0.437 | S | S | . | . | trans | -51.4 | 132.9 | 176.9 | -166.6 | -87.1 | 0 | 0 | 0 | 112.2 | M13 H94 V106 N109 | M13-W92 HydrophobicContact CE-CH2 4.19Å; M13-W92 HydrophobicContact CE-CZ3 3.64Å; W92-H94 AromaticContact CD1-CE1 3.86Å; W92-V106 HydrophobicContact CH2-CG1 4.44Å; W92-V106 HydrophobicContact CH2-CG2 4.26Å; W92-V106 HydrophobicContact CZ2-CG2 4.24Å; W92-N109 WeakPolarHBondContact CA-OD1 3.44Å; W92-N109 HydrophobicContact CD2-CB 3.99Å; W92-N109 HydrophobicContact CE3-CB 3.63Å; W92-N109 HydrophobicContact CH2-CB 3.73Å; W92-N109 HydrophobicContact CZ2-CB 4.07Å; W92-N109 HydrophobicContact CZ3-CB 3.49Å; W92-N109 VanDerWaalsContact CZ3-CB 3.49Å | ||
| 93 | K | 83.2 | Confident | 78 | Confident | 85 Ų | 85 | 93.5 Ų | 93.5 | 37% | 0.37 | 46% | 0.464 | S | S | . | . | trans | -119.5 | 138.7 | 179.7 | -71.4 | -72.6 | -174.2 | 171.8 | 0 | 110.8 | Y82 K91 F95 N109 | Y82-K93 WeakPolarHBondContact OH-CG 3.15Å; K91-K93 PolarHBondContact O-N 2.74Å; K93-F95 HydrophobicContact CB-CD2 4.37Å; K93-F95 HydrophobicContact CB-CE1 4.28Å; K93-F95 HydrophobicContact CB-CE2 3.93Å; K93-F95 HydrophobicContact CB-CZ 3.87Å; K93-F95 WeakPolarHBondContact O-CD2 3.49Å; K93-F95 WeakPolarHBondContact O-CE2 3.27Å; K93-N109 PolarHBondContact N-OD1 2.85Å; K93-N109 PolarHBondContact O-ND2 3.47Å; K93-N109 PolarHBondContact O-OD1 3.35Å | ||
| 94 | H | 80.3 | Confident | 79 | Confident | 114 Ų | 114 | 86.4 Ų | 86.4 | 53% | 0.528 | 43% | 0.432 | S | S | . | . | trans | -91.4 | -11.1 | -178.3 | -63.7 | -77.4 | 0 | 0 | 0 | 113.9 | W92 Q96 | W92-H94 AromaticContact CD1-CE1 3.86Å; H94-Q96 HydrophobicContact CB-CG 4.01Å; H94-Q96 PolarHBondContact O-N 3.35Å | ||
| 95 | F | 81.3 | Confident | 80.2 | Confident | 12 Ų | 12 | 83 Ų | 83 | 5% | 0.053 | 41% | 0.413 | C | S | . | . | trans | 49.8 | 44.9 | -178.7 | -55.1 | -78.1 | 0 | 0 | 0 | 112.7 | V81 Y82 K93 L98 I100 L108 I112 | V81-F95 HydrophobicContact CG1-CD1 4.26Å; V81-F95 HydrophobicContact CG1-CE1 4.27Å; V81-F95 HydrophobicContact CG2-CD1 4Å; V81-F95 HydrophobicContact CG2-CE1 4.45Å; Y82-F95 HydrophobicContact CE2-CE1 4.39Å; K93-F95 HydrophobicContact CB-CD2 4.37Å; K93-F95 HydrophobicContact CB-CE1 4.28Å; K93-F95 HydrophobicContact CB-CE2 3.93Å; K93-F95 HydrophobicContact CB-CZ 3.87Å; K93-F95 WeakPolarHBondContact O-CD2 3.49Å; K93-F95 WeakPolarHBondContact O-CE2 3.27Å; F95-L98 PolarHBondContact O-N 2.9Å; F95-I100 HydrophobicContact CB-CD1 4.33Å; F95-L108 HydrophobicContact CD1-CD2 3.85Å; F95-L108 HydrophobicContact CD2-CD2 4Å; F95-L108 HydrophobicContact CE1-CD2 3.41Å; F95-L108 VanDerWaalsContact CE1-CD2 3.41Å; F95-L108 HydrophobicContact CE1-CG 4.23Å; F95-L108 HydrophobicContact CE2-CB 3.88Å; F95-L108 HydrophobicContact CE2-CD2 3.58Å; F95-L108 HydrophobicContact CE2-CG 3.98Å; F95-L108 HydrophobicContact CG-CD2 4.13Å; F95-L108 HydrophobicContact CZ-CB 4.06Å; F95-L108 HydrophobicContact CZ-CD2 3.26Å; F95-L108 HydrophobicContact CZ-CG 3.66Å; F95-I112 HydrophobicContact CZ-CD1 3.8Å | ||
| 96 | Q | 76.8 | Confident | 81.3 | Confident | 148 Ų | 148 | 84.1 Ų | 84.1 | 69% | 0.692 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 141.1 | 177.7 | -61.4 | -64.5 | -10.8 | 0 | 0 | 110 | H94 L98 | H94-Q96 HydrophobicContact CB-CG 4.01Å; H94-Q96 PolarHBondContact O-N 3.35Å; Q96-L98 VanDerWaalsContact C-N 3.34Å |
| 97 | G | 79 | Confident | 82.3 | Confident | 84 Ų | 84 | 85.2 Ų | 85.2 | 87% | 0.866 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | -1.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 98 | L | 79.6 | Confident | 82.7 | Confident | 50 Ų | 50 | 85.3 Ų | 85.3 | 26% | 0.262 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -111.7 | 134.3 | 171.4 | -71.6 | 159.4 | 0 | 0 | 0 | 110.3 | V81 F95 Q96 I100 | V81-L98 HydrophobicContact CG2-CD1 3.24Å; F95-L98 PolarHBondContact O-N 2.9Å; Q96-L98 VanDerWaalsContact C-N 3.34Å; L98-I100 HydrophobicContact CB-CD1 3.68Å; L98-I100 HydrophobicContact CB-CG1 3.89Å; L98-I100 HydrophobicContact CD1-CD1 4.01Å; L98-I100 HydrophobicContact CG-CD1 4.4Å; L98-I100 PolarHBondContact O-N 3.45Å |
| 99 | N | 80.8 | Confident | 83.3 | Confident | 182 Ų | 182 | 78.7 Ų | 78.7 | 97% | 0.973 | 39% | 0.394 | S | S | * | . | trans | -75.5 | 64.1 | 176 | -72.3 | -18.4 | 0 | 0 | 0 | 111.3 | ||||
| 100 | I | 83.3 | Confident | 83.9 | Confident | 16 Ų | 16 | 79.6 Ų | 79.6 | 8% | 0.082 | 40% | 0.397 | C | S | . | . | trans | -108.5 | 129 | 179.4 | -59.7 | 167.6 | 0 | 0 | 0 | 108.9 | C77 F95 L98 D104 R105 | C77-I100 HydrophobicContact CB-CD1 3.96Å; F95-I100 HydrophobicContact CB-CD1 4.33Å; L98-I100 HydrophobicContact CB-CD1 3.68Å; L98-I100 HydrophobicContact CB-CG1 3.89Å; L98-I100 HydrophobicContact CD1-CD1 4.01Å; L98-I100 HydrophobicContact CG-CD1 4.4Å; L98-I100 PolarHBondContact O-N 3.45Å; I100-D104 HydrophobicContact CG2-CB 3.42Å; I100-D104 VanDerWaalsContact CG2-CB 3.42Å; I100-R105 HydrophobicContact CB-CG 4.35Å; I100-R105 HydrophobicContact CG2-CG 3.98Å; I100-R105 PolarHBondContact O-NE 2.93Å; I100-R105 PolarHBondContact O-NH2 3.42Å | ||
| 101 | A | 86 | Confident | 84.2 | Confident | 60 Ų | 60 | 79.7 Ų | 79.7 | 50% | 0.496 | 40% | 0.397 | S | S | . | . | trans | -60.3 | 149.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K103 D104 R105 | A101-K103 VanDerWaalsContact C-N 3.28Å; A101-K103 PolarHBondContact O-N 2.94Å; A101-D104 WeakPolarHBondContact O-CA 3.37Å; A101-D104 WeakPolarHBondContact O-CB 3.24Å; A101-D104 PolarHBondContact O-N 3.33Å; A101-R105 WeakPolarHBondContact O-CG 3.37Å; A101-R105 PolarHBondContact O-N 3.48Å | ||
| 102 | W | 85.4 | Confident | 84.6 | Confident | 152 Ų | 152 | 72.8 Ų | 72.8 | 58% | 0.576 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -52.4 | -43.3 | 178.9 | 146.6 | -97 | 0 | 0 | 0 | 113.3 | D104 R105 V106 | W102-D104 PolarHBondContact O-N 2.98Å; W102-R105 WeakPolarHBondContact O-CB 3.35Å; W102-R105 PolarHBondContact O-N 3.19Å; W102-R105 VanDerWaalsContact O-N 3.12Å; W102-V106 HydrophobicContact CD2-CG2 3.97Å; W102-V106 HydrophobicContact CE3-CG2 3.99Å; W102-V106 HydrophobicContact CH2-CG2 3.61Å; W102-V106 HydrophobicContact CZ2-CG2 3.57Å; W102-V106 HydrophobicContact CZ3-CG2 3.82Å; W102-V106 PolarHBondContact O-N 3.44Å |
| 103 | K | 86 | Confident | 85 | Confident | 156 Ų | 156 | 73.9 Ų | 73.9 | 68% | 0.678 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57.9 | -39.8 | 178.7 | -67.8 | -177.7 | 178.4 | 178.6 | 0 | 111.5 | A101 V106 R107 | A101-K103 VanDerWaalsContact C-N 3.28Å; A101-K103 PolarHBondContact O-N 2.94Å; K103-V106 PolarHBondContact O-N 2.95Å; K103-R107 WeakPolarHBondContact O-CG 3.38Å; K103-R107 PolarHBondContact O-N 3.31Å |
| 104 | D | 86.6 | Confident | 85.3 | Confident | 40 Ų | 40 | 78.4 Ų | 78.4 | 21% | 0.214 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -73.8 | -34.9 | 178.7 | -79.2 | -12.4 | 0 | 0 | 0 | 112.2 | L74 I100 A101 W102 V106 R107 L108 | L74-D104 HydrophobicContact CD2-CB 3.54Å; I100-D104 HydrophobicContact CG2-CB 3.42Å; I100-D104 VanDerWaalsContact CG2-CB 3.42Å; A101-D104 WeakPolarHBondContact O-CA 3.37Å; A101-D104 WeakPolarHBondContact O-CB 3.24Å; A101-D104 PolarHBondContact O-N 3.33Å; W102-D104 PolarHBondContact O-N 2.98Å; D104-V106 VanDerWaalsContact C-N 3.32Å; D104-V106 PolarHBondContact O-N 3.29Å; D104-R107 PolarHBondContact O-N 3.3Å; D104-L108 WeakPolarHBondContact O-CB 3.49Å; D104-L108 PolarHBondContact O-N 2.96Å |
| 105 | R | 86.2 | Confident | 85.6 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 29% | 0.287 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 170.7 | -62 | 177.7 | -165.1 | -173.9 | -1.4 | 111.4 | I100 A101 W102 L108 N109 | I100-R105 HydrophobicContact CB-CG 4.35Å; I100-R105 HydrophobicContact CG2-CG 3.98Å; I100-R105 PolarHBondContact O-NE 2.93Å; I100-R105 PolarHBondContact O-NH2 3.42Å; A101-R105 WeakPolarHBondContact O-CG 3.37Å; A101-R105 PolarHBondContact O-N 3.48Å; W102-R105 WeakPolarHBondContact O-CB 3.35Å; W102-R105 PolarHBondContact O-N 3.19Å; W102-R105 VanDerWaalsContact O-N 3.12Å; R105-L108 PolarHBondContact O-N 2.91Å; R105-N109 PolarHBondContact O-N 2.95Å; R105-N109 PolarHBondContact O-ND2 2.96Å |
| 106 | V | 88.3 | Confident | 85.9 | Confident | 33 Ų | 33 | 76 Ų | 76 | 20% | 0.2 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 175.8 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | W92 W102 K103 D104 L108 N109 N110 | W92-V106 HydrophobicContact CH2-CG1 4.44Å; W92-V106 HydrophobicContact CH2-CG2 4.26Å; W92-V106 HydrophobicContact CZ2-CG2 4.24Å; W102-V106 HydrophobicContact CD2-CG2 3.97Å; W102-V106 HydrophobicContact CE3-CG2 3.99Å; W102-V106 HydrophobicContact CH2-CG2 3.61Å; W102-V106 HydrophobicContact CZ2-CG2 3.57Å; W102-V106 HydrophobicContact CZ3-CG2 3.82Å; W102-V106 PolarHBondContact O-N 3.44Å; K103-V106 PolarHBondContact O-N 2.95Å; D104-V106 VanDerWaalsContact C-N 3.32Å; D104-V106 PolarHBondContact O-N 3.29Å; V106-L108 VanDerWaalsContact C-N 3.27Å; V106-L108 PolarHBondContact O-N 2.89Å; V106-N109 PolarHBondContact O-N 3.3Å; V106-N110 WeakPolarHBondContact O-CB 3.41Å; V106-N110 PolarHBondContact O-N 3.05Å; V106-N110 PolarHBondContact O-ND2 3.43Å |
| 107 | R | 89.2 | Confident | 86.4 | Confident | 122 Ų | 122 | 72.6 Ų | 72.6 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55 | -43.7 | 174.4 | -75.2 | 175.6 | 172.8 | -162.7 | -3.2 | 111.5 | D68 L74 K103 D104 N110 V111 | D68-R107 IonicContact OD2-NH1 2.87Å; L74-R107 HydrophobicContact CD1-CB 4.33Å; K103-R107 WeakPolarHBondContact O-CG 3.38Å; K103-R107 PolarHBondContact O-N 3.31Å; D104-R107 PolarHBondContact O-N 3.3Å; R107-N110 WeakPolarHBondContact O-CB 3.49Å; R107-N110 PolarHBondContact O-N 3.34Å; R107-V111 WeakPolarHBondContact O-CG2 3.43Å; R107-V111 PolarHBondContact O-N 3Å |
| 108 | L | 87.6 | Confident | 86.9 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.5 | -45 | -178.7 | -151.5 | 61.3 | 0 | 0 | 0 | 112.7 | L74 I78 F95 D104 R105 V106 N110 V111 I112 | L74-L108 HydrophobicContact CB-CD1 4.18Å; I78-L108 HydrophobicContact CD1-CD1 3.22Å; I78-L108 HydrophobicContact CD1-CG 3.79Å; I78-L108 HydrophobicContact CG1-CD1 3.45Å; I78-L108 VanDerWaalsContact CG1-CD1 3.45Å; I78-L108 HydrophobicContact CG1-CD2 4.04Å; I78-L108 HydrophobicContact CG1-CG 3.73Å; F95-L108 HydrophobicContact CD1-CD2 3.85Å; F95-L108 HydrophobicContact CD2-CD2 4Å; F95-L108 HydrophobicContact CE1-CD2 3.41Å; F95-L108 VanDerWaalsContact CE1-CD2 3.41Å; F95-L108 HydrophobicContact CE1-CG 4.23Å; F95-L108 HydrophobicContact CE2-CB 3.88Å; F95-L108 HydrophobicContact CE2-CD2 3.58Å; F95-L108 HydrophobicContact CE2-CG 3.98Å; F95-L108 HydrophobicContact CG-CD2 4.13Å; F95-L108 HydrophobicContact CZ-CB 4.06Å; F95-L108 HydrophobicContact CZ-CD2 3.26Å; F95-L108 HydrophobicContact CZ-CG 3.66Å; D104-L108 WeakPolarHBondContact O-CB 3.49Å; D104-L108 PolarHBondContact O-N 2.96Å; R105-L108 PolarHBondContact O-N 2.91Å; V106-L108 VanDerWaalsContact C-N 3.27Å; V106-L108 PolarHBondContact O-N 2.89Å; L108-N110 VanDerWaalsContact C-N 3.3Å; L108-N110 PolarHBondContact O-N 3.4Å; L108-V111 WeakPolarHBondContact O-CB 3.49Å; L108-V111 PolarHBondContact O-N 2.84Å; L108-I112 WeakPolarHBondContact O-CG1 2.9Å; L108-I112 PolarHBondContact O-N 3.48Å |
| 109 | N | 89.7 | Confident | 87.2 | Confident | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.027 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 174.5 | -79.4 | -73.5 | 0 | 0 | 0 | 111.6 | W92 K93 R105 V106 V111 I112 W113 | W92-N109 WeakPolarHBondContact CA-OD1 3.44Å; W92-N109 HydrophobicContact CD2-CB 3.99Å; W92-N109 HydrophobicContact CE3-CB 3.63Å; W92-N109 HydrophobicContact CH2-CB 3.73Å; W92-N109 HydrophobicContact CZ2-CB 4.07Å; W92-N109 HydrophobicContact CZ3-CB 3.49Å; W92-N109 VanDerWaalsContact CZ3-CB 3.49Å; K93-N109 PolarHBondContact N-OD1 2.85Å; K93-N109 PolarHBondContact O-ND2 3.47Å; K93-N109 PolarHBondContact O-OD1 3.35Å; R105-N109 PolarHBondContact O-N 2.95Å; R105-N109 PolarHBondContact O-ND2 2.96Å; V106-N109 PolarHBondContact O-N 3.3Å; N109-V111 VanDerWaalsContact C-N 3.35Å; N109-V111 PolarHBondContact O-N 2.87Å; N109-I112 PolarHBondContact O-N 2.87Å; N109-W113 PolarHBondContact O-N 3.48Å |
| 110 | N | 90.1 | Very high | 87.4 | Confident | 74 Ų | 74 | 66.7 Ų | 66.7 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 173.8 | -75.8 | -43 | 0 | 0 | 0 | 111.9 | V106 R107 L108 W113 R114 | V106-N110 WeakPolarHBondContact O-CB 3.41Å; V106-N110 PolarHBondContact O-N 3.05Å; V106-N110 PolarHBondContact O-ND2 3.43Å; R107-N110 WeakPolarHBondContact O-CB 3.49Å; R107-N110 PolarHBondContact O-N 3.34Å; L108-N110 VanDerWaalsContact C-N 3.3Å; L108-N110 PolarHBondContact O-N 3.4Å; N110-W113 PolarHBondContact O-N 3.25Å; N110-R114 WeakPolarHBondContact O-CG 3.33Å; N110-R114 PolarHBondContact O-N 2.98Å |
| 111 | V | 86.9 | Confident | 87.5 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 24% | 0.242 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.4 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | I78 R107 L108 N109 W113 R114 A115 | I78-V111 HydrophobicContact CD1-CG1 4.13Å; R107-V111 WeakPolarHBondContact O-CG2 3.43Å; R107-V111 PolarHBondContact O-N 3Å; L108-V111 WeakPolarHBondContact O-CB 3.49Å; L108-V111 PolarHBondContact O-N 2.84Å; N109-V111 VanDerWaalsContact C-N 3.35Å; N109-V111 PolarHBondContact O-N 2.87Å; V111-W113 VanDerWaalsContact C-N 3.31Å; V111-W113 PolarHBondContact O-N 3.12Å; V111-R114 PolarHBondContact O-N 2.82Å; V111-A115 WeakPolarHBondContact O-CB 3.45Å; V111-A115 PolarHBondContact O-N 2.89Å |
| 112 | I | 88.1 | Confident | 87.6 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58 | -45 | 176.1 | -70.5 | 171 | 0 | 0 | 0 | 110.8 | I78 Y82 L87 F95 L108 N109 A115 W116 F131 | I78-I112 HydrophobicContact CD1-CG1 4.48Å; Y82-I112 HydrophobicContact CE2-CD1 4.36Å; L87-I112 HydrophobicContact CD1-CB 4.5Å; L87-I112 HydrophobicContact CD1-CG1 4.14Å; L87-I112 HydrophobicContact CD1-CG2 4.07Å; F95-I112 HydrophobicContact CZ-CD1 3.8Å; L108-I112 WeakPolarHBondContact O-CG1 2.9Å; L108-I112 PolarHBondContact O-N 3.48Å; N109-I112 PolarHBondContact O-N 2.87Å; I112-A115 PolarHBondContact O-N 2.96Å; I112-W116 PolarHBondContact O-N 3.4Å; I112-F131 HydrophobicContact CG2-CZ 3.93Å |
| 113 | W | 90.9 | Very high | 87.5 | Confident | 100 Ų | 100 | 69.2 Ų | 69.2 | 38% | 0.379 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 179.2 | -136.4 | 109.3 | 0 | 0 | 0 | 111.8 | N109 N110 V111 A115 W116 F117 | N109-W113 PolarHBondContact O-N 3.48Å; N110-W113 PolarHBondContact O-N 3.25Å; V111-W113 VanDerWaalsContact C-N 3.31Å; V111-W113 PolarHBondContact O-N 3.12Å; W113-A115 VanDerWaalsContact C-N 3.33Å; W113-A115 PolarHBondContact O-N 3.42Å; W113-W116 HydrophobicContact CE3-CE3 4.01Å; W113-W116 AromaticContact CH2-CE3 3.77Å; W113-W116 HydrophobicContact CH2-CE3 3.77Å; W113-W116 AromaticContact CH2-CZ3 3.51Å; W113-W116 HydrophobicContact CH2-CZ3 3.51Å; W113-W116 HydrophobicContact CZ2-CE3 4.38Å; W113-W116 HydrophobicContact CZ2-CZ3 4.31Å; W113-W116 AromaticContact CZ3-CE3 3.57Å; W113-W116 HydrophobicContact CZ3-CE3 3.57Å; W113-W116 AromaticContact CZ3-CZ3 3.65Å; W113-W116 HydrophobicContact CZ3-CZ3 3.65Å; W113-W116 WeakPolarHBondContact O-CB 3.47Å; W113-W116 PolarHBondContact O-N 3.45Å; W113-F117 HydrophobicContact CE3-CB 4.14Å; W113-F117 HydrophobicContact CZ3-CB 4.04Å; W113-F117 HydrophobicContact CZ3-CD2 4.12Å; W113-F117 WeakPolarHBondContact O-CB 3.35Å; W113-F117 PolarHBondContact O-N 3.25Å |
| 114 | R | 88.9 | Confident | 87.5 | Confident | 179 Ų | 179 | 65.3 Ų | 65.3 | 68% | 0.675 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.5 | -39.1 | 176.1 | -69.5 | -169.7 | 84.7 | 83 | 0.7 | 112.1 | N110 V111 W116 F117 L118 | N110-R114 WeakPolarHBondContact O-CG 3.33Å; N110-R114 PolarHBondContact O-N 2.98Å; V111-R114 PolarHBondContact O-N 2.82Å; R114-W116 VanDerWaalsContact C-N 3.34Å; R114-F117 PolarHBondContact O-N 3.26Å; R114-L118 WeakPolarHBondContact O-CB 3.43Å; R114-L118 WeakPolarHBondContact O-CD1 3.44Å; R114-L118 WeakPolarHBondContact O-CG 3.49Å; R114-L118 PolarHBondContact O-N 2.9Å |
| 115 | A | 86.7 | Confident | 87.2 | Confident | 6 Ų | 6 | 68 Ų | 68 | 5% | 0.05 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V111 I112 W113 L118 Q119 P126 C129 F131 | V111-A115 WeakPolarHBondContact O-CB 3.45Å; V111-A115 PolarHBondContact O-N 2.89Å; I112-A115 PolarHBondContact O-N 2.96Å; W113-A115 VanDerWaalsContact C-N 3.33Å; W113-A115 PolarHBondContact O-N 3.42Å; A115-L118 PolarHBondContact O-N 3.07Å; A115-Q119 WeakPolarHBondContact O-CB 3.49Å; A115-Q119 PolarHBondContact O-N 2.89Å; A115-P126 HydrophobicContact CB-CB 3.87Å; A115-P126 HydrophobicContact CB-CG 4.26Å; A115-C129 HydrophobicContact CB-CB 4.46Å; A115-F131 HydrophobicContact CB-CE2 4.1Å |
| 116 | W | 88.2 | Confident | 86.8 | Confident | 71 Ų | 71 | 64.6 Ų | 64.6 | 27% | 0.269 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 175.6 | -179.8 | 84.4 | 0 | 0 | 0 | 111.4 | P90 I112 W113 R114 L118 Q119 F120 V121 F131 | P90-W116 HydrophobicContact CB-CB 3.93Å; P90-W116 HydrophobicContact CB-CD2 4.29Å; P90-W116 HydrophobicContact CB-CG 3.65Å; P90-W116 HydrophobicContact CG-CD2 4.35Å; P90-W116 HydrophobicContact CG-CG 3.99Å; I112-W116 PolarHBondContact O-N 3.4Å; W113-W116 HydrophobicContact CE3-CE3 4.01Å; W113-W116 AromaticContact CH2-CE3 3.77Å; W113-W116 HydrophobicContact CH2-CE3 3.77Å; W113-W116 AromaticContact CH2-CZ3 3.51Å; W113-W116 HydrophobicContact CH2-CZ3 3.51Å; W113-W116 HydrophobicContact CZ2-CE3 4.38Å; W113-W116 HydrophobicContact CZ2-CZ3 4.31Å; W113-W116 AromaticContact CZ3-CE3 3.57Å; W113-W116 HydrophobicContact CZ3-CE3 3.57Å; W113-W116 AromaticContact CZ3-CZ3 3.65Å; W113-W116 HydrophobicContact CZ3-CZ3 3.65Å; W113-W116 WeakPolarHBondContact O-CB 3.47Å; W113-W116 PolarHBondContact O-N 3.45Å; R114-W116 VanDerWaalsContact C-N 3.34Å; W116-L118 PolarHBondContact O-N 3.45Å; W116-Q119 PolarHBondContact O-N 3.42Å; W116-F120 AromaticContact CD1-CD2 3.3Å; W116-F120 AromaticContact CD1-CE2 3.55Å; W116-F120 HydrophobicContact CD2-CD2 4.27Å; W116-F120 AromaticContact CE2-CD2 3.92Å; W116-F120 AromaticContact CG-CD2 3.91Å; W116-F120 HydrophobicContact CG-CD2 3.91Å; W116-F120 HydrophobicContact CG-CE2 4.47Å; W116-F120 HydrophobicContact CZ2-CB 4.35Å; W116-F120 AromaticContact NE1-CD2 3.29Å; W116-F120 VanDerWaalsContact NE1-CD2 3.29Å; W116-F120 AromaticContact NE1-CE2 3.71Å; W116-F120 AromaticContact NE1-CG 3.99Å; W116-F120 WeakPolarHBondContact O-CD2 3.23Å; W116-F120 PolarHBondContact O-N 3.25Å; W116-V121 HydrophobicContact CH2-CG2 4.27Å; W116-V121 HydrophobicContact CZ3-CG2 3.98Å; W116-F131 VanDerWaalsContact CA-CE2 3.42Å; W116-F131 HydrophobicContact CB-CD2 4.2Å; W116-F131 HydrophobicContact CB-CE1 4.5Å; W116-F131 HydrophobicContact CB-CE2 3.51Å; W116-F131 HydrophobicContact CB-CZ 3.67Å; W116-F131 HydrophobicContact CG-CE2 4.38Å; W116-F131 HydrophobicContact CG-CZ 4.32Å; W116-F131 VanDerWaalsContact N-CE2 3.3Å |
| 117 | F | 87.7 | Confident | 86.3 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 33% | 0.329 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 179 | -177.9 | -94.2 | 0 | 0 | 0 | 112.1 | W113 R114 Q119 V121 R122 | W113-F117 HydrophobicContact CE3-CB 4.14Å; W113-F117 HydrophobicContact CZ3-CB 4.04Å; W113-F117 HydrophobicContact CZ3-CD2 4.12Å; W113-F117 WeakPolarHBondContact O-CB 3.35Å; W113-F117 PolarHBondContact O-N 3.25Å; R114-F117 PolarHBondContact O-N 3.26Å; F117-Q119 VanDerWaalsContact C-N 3.33Å; F117-Q119 PolarHBondContact O-N 2.92Å; F117-V121 HydrophobicContact CD2-CB 3.73Å; F117-V121 HydrophobicContact CD2-CG1 4.12Å; F117-V121 HydrophobicContact CD2-CG2 3.57Å; F117-V121 HydrophobicContact CE2-CB 3.72Å; F117-V121 HydrophobicContact CE2-CG1 3.56Å; F117-V121 HydrophobicContact CE2-CG2 3.87Å; F117-V121 HydrophobicContact CG-CB 4.19Å; F117-V121 HydrophobicContact CG-CG2 4.27Å; F117-V121 HydrophobicContact CZ-CB 4.16Å; F117-V121 HydrophobicContact CZ-CG1 3.85Å; F117-V121 WeakPolarHBondContact O-CA 3.37Å; F117-V121 VanDerWaalsContact O-CB 3.24Å; F117-V121 WeakPolarHBondContact O-CB 3.16Å; F117-V121 PolarHBondContact O-N 2.92Å; F117-R122 HydrophobicContact CD1-CG 4.33Å; F117-R122 HydrophobicContact CE1-CG 3.86Å; F117-R122 PolarHBondContact O-N 3.05Å |
| 118 | L | 88 | Confident | 85.6 | Confident | 50 Ų | 50 | 72.4 Ų | 72.4 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 176.1 | -82.5 | 160.5 | 0 | 0 | 0 | 111.2 | R114 A115 W116 R122 G123 V124 | R114-L118 WeakPolarHBondContact O-CB 3.43Å; R114-L118 WeakPolarHBondContact O-CD1 3.44Å; R114-L118 WeakPolarHBondContact O-CG 3.49Å; R114-L118 PolarHBondContact O-N 2.9Å; A115-L118 PolarHBondContact O-N 3.07Å; W116-L118 PolarHBondContact O-N 3.45Å; L118-R122 CarbonylContact O-C 3.43Å; L118-R122 WeakPolarHBondContact O-CB 3.45Å; L118-R122 PolarHBondContact O-N 3.24Å; L118-G123 PolarHBondContact O-N 2.81Å; L118-V124 CarbonylContact C-O 3.23Å; L118-V124 VanDerWaalsContact C-O 3.23Å; L118-V124 HydrophobicContact CD2-CB 4.33Å; L118-V124 PolarHBondContact O-N 2.83Å; L118-V124 VanDerWaalsContact O-O 3.1Å |
| 119 | Q | 86.4 | Confident | 85 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 23% | 0.234 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.6 | -45.4 | -175.3 | -172.5 | 168.2 | -17.6 | 0 | 0 | 113.4 | A115 W116 F117 G123 F131 | A115-Q119 WeakPolarHBondContact O-CB 3.49Å; A115-Q119 PolarHBondContact O-N 2.89Å; W116-Q119 PolarHBondContact O-N 3.42Å; F117-Q119 VanDerWaalsContact C-N 3.33Å; F117-Q119 PolarHBondContact O-N 2.92Å; Q119-G123 WeakPolarHBondContact O-CA 3.37Å; Q119-F131 PolarHBondContact NE2-O 3.12Å |
| 120 | F | 86.2 | Confident | 84.6 | Confident | 92 Ų | 92 | 77.1 Ų | 77.1 | 40% | 0.404 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -98.1 | -25.8 | -171.1 | -68 | -75.3 | 0 | 0 | 0 | 114.3 | W116 F131 I133 | W116-F120 AromaticContact CD1-CD2 3.3Å; W116-F120 AromaticContact CD1-CE2 3.55Å; W116-F120 HydrophobicContact CD2-CD2 4.27Å; W116-F120 AromaticContact CE2-CD2 3.92Å; W116-F120 AromaticContact CG-CD2 3.91Å; W116-F120 HydrophobicContact CG-CD2 3.91Å; W116-F120 HydrophobicContact CG-CE2 4.47Å; W116-F120 HydrophobicContact CZ2-CB 4.35Å; W116-F120 AromaticContact NE1-CD2 3.29Å; W116-F120 VanDerWaalsContact NE1-CD2 3.29Å; W116-F120 AromaticContact NE1-CE2 3.71Å; W116-F120 AromaticContact NE1-CG 3.99Å; W116-F120 WeakPolarHBondContact O-CD2 3.23Å; W116-F120 PolarHBondContact O-N 3.25Å; F120-F131 HydrophobicContact CE2-CB 3.61Å; F120-F131 HydrophobicContact CE2-CD1 4.36Å; F120-F131 HydrophobicContact CE2-CD2 4.36Å; F120-F131 AromaticContact CE2-CG 3.85Å; F120-F131 HydrophobicContact CE2-CG 3.85Å; F120-F131 HydrophobicContact CZ-CB 3.98Å; F120-I133 HydrophobicContact CE1-CD1 4.07Å; F120-I133 HydrophobicContact CE1-CG1 4.18Å; F120-I133 HydrophobicContact CZ-CG1 4.15Å |
| 121 | V | 85.5 | Confident | 84.2 | Confident | 83 Ų | 83 | 74 Ų | 74 | 50% | 0.503 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -44.8 | 180 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | W116 F117 | W116-V121 HydrophobicContact CH2-CG2 4.27Å; W116-V121 HydrophobicContact CZ3-CG2 3.98Å; F117-V121 HydrophobicContact CD2-CB 3.73Å; F117-V121 HydrophobicContact CD2-CG1 4.12Å; F117-V121 HydrophobicContact CD2-CG2 3.57Å; F117-V121 HydrophobicContact CE2-CB 3.72Å; F117-V121 HydrophobicContact CE2-CG1 3.56Å; F117-V121 HydrophobicContact CE2-CG2 3.87Å; F117-V121 HydrophobicContact CG-CB 4.19Å; F117-V121 HydrophobicContact CG-CG2 4.27Å; F117-V121 HydrophobicContact CZ-CB 4.16Å; F117-V121 HydrophobicContact CZ-CG1 3.85Å; F117-V121 WeakPolarHBondContact O-CA 3.37Å; F117-V121 VanDerWaalsContact O-CB 3.24Å; F117-V121 WeakPolarHBondContact O-CB 3.16Å; F117-V121 PolarHBondContact O-N 2.92Å |
| 122 | R | 86.7 | Confident | 83.8 | Confident | 138 Ų | 138 | 73.6 Ų | 73.6 | 52% | 0.521 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -90.3 | -15.3 | 178.2 | -68.3 | -174.8 | 168 | -175.5 | -1.8 | 113.9 | F117 L118 V124 | F117-R122 HydrophobicContact CD1-CG 4.33Å; F117-R122 HydrophobicContact CE1-CG 3.86Å; F117-R122 PolarHBondContact O-N 3.05Å; L118-R122 CarbonylContact O-C 3.43Å; L118-R122 WeakPolarHBondContact O-CB 3.45Å; L118-R122 PolarHBondContact O-N 3.24Å; R122-V124 HydrophobicContact CB-CG2 4.26Å; R122-V124 PolarHBondContact O-N 3.19Å |
| 123 | G | 83.6 | Confident | 82.9 | Confident | 61 Ų | 61 | 79.1 Ų | 79.1 | 63% | 0.629 | 38% | 0.382 | S | S | * | . | trans | 65.4 | 17.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L118 Q119 | L118-G123 PolarHBondContact O-N 2.81Å; Q119-G123 WeakPolarHBondContact O-CA 3.37Å | ||
| 124 | V | 86.2 | Confident | 81.6 | Confident | 74 Ų | 74 | 78.1 Ų | 78.1 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -101.2 | 131 | -179.1 | 177.5 | 0 | 0 | 0 | 0 | 109 | L118 R122 P126 | L118-V124 CarbonylContact C-O 3.23Å; L118-V124 VanDerWaalsContact C-O 3.23Å; L118-V124 HydrophobicContact CD2-CB 4.33Å; L118-V124 PolarHBondContact O-N 2.83Å; L118-V124 VanDerWaalsContact O-O 3.1Å; R122-V124 HydrophobicContact CB-CG2 4.26Å; R122-V124 PolarHBondContact O-N 3.19Å; V124-P126 WeakPolarHBondContact O-CD 3.46Å |
| 125 | P | 79.4 | Confident | 80.1 | Confident | 95 Ų | 95 | 78.4 Ų | 78.4 | 62% | 0.617 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 125.2 | 177.1 | 24.2 | -32.6 | 0 | 0 | 0 | 110.7 | F130 | P125-F130 HydrophobicContact CB-CE1 4.17Š|
| 126 | P | 79.3 | Confident | 78.1 | Confident | 6 Ų | 6 | 85.5 Ų | 85.5 | 4% | 0.039 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 151.7 | 175.2 | 27.8 | -35.3 | 0 | 0 | 0 | 111.2 | A115 V124 C129 F130 | A115-P126 HydrophobicContact CB-CB 3.87Å; A115-P126 HydrophobicContact CB-CG 4.26Å; V124-P126 WeakPolarHBondContact O-CD 3.46Å; P126-C129 WeakPolarHBondContact CB-O 3.45Å; P126-C129 WeakPolarHBondContact CG-O 3.4Å; P126-F130 HydrophobicContact CG-CD1 3.94Å; P126-F130 HydrophobicContact CG-CE1 4.42Å; P126-F130 HydrophobicContact CG-CG 4.46Å; P126-F130 WeakPolarHBondContact O-CE1 3.38Å; P126-F130 WeakPolarHBondContact O-CZ 3.48Å |
| 127 | K | 78 | Confident | 76.1 | Confident | 179 Ų | 179 | 88.9 Ų | 88.9 | 78% | 0.778 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -83.1 | -27.9 | -174.2 | -65.2 | -176.4 | -179.4 | -178.6 | 0 | 115.1 | ||
| 128 | Y | 72.9 | Confident | 74.1 | Confident | 139 Ų | 139 | 93.2 Ų | 93.2 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -116.4 | -20.3 | -165.8 | -55 | -70.1 | 0 | 0 | 0 | 113.9 | ||
| 129 | C | 76.3 | Confident | 72.4 | Confident | 1 Ų | 1 | 96.3 Ų | 96.3 | 1% | 0.007 | 49% | 0.492 | C | S | . | . | trans | -159.2 | 125.4 | -174.3 | -155.1 | 0 | 0 | 0 | 0 | 109.9 | I78 G85 L87 A115 P126 | I78-C129 HydrophobicContact CG2-CB 4.32Å; I78-C129 WeakPolarHBondContact CG2-SG 3.39Å; G85-C129 PolarHBondContact O-SG 3.04Å; L87-C129 HydrophobicContact CD1-CB 4.12Å; L87-C129 WeakPolarHBondContact CD1-SG 3.24Å; L87-C129 WeakPolarHBondContact CG-SG 3.46Å; A115-C129 HydrophobicContact CB-CB 4.46Å; P126-C129 WeakPolarHBondContact CB-O 3.45Å; P126-C129 WeakPolarHBondContact CG-O 3.4Å | ||
| 130 | F | 80.8 | Confident | 70.3 | Confident | 105 Ų | 105 | 101.2 Ų | 101.2 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 141.6 | -176.3 | -56.6 | -91.4 | 0 | 0 | 0 | 109.9 | G85 L87 P125 P126 | G85-F130 PolarHBondContact O-N 3.36Å; L87-F130 PolarHBondContact N-O 3.43Å; P125-F130 HydrophobicContact CB-CE1 4.17Å; P126-F130 HydrophobicContact CG-CD1 3.94Å; P126-F130 HydrophobicContact CG-CE1 4.42Å; P126-F130 HydrophobicContact CG-CG 4.46Å; P126-F130 WeakPolarHBondContact O-CE1 3.38Å; P126-F130 WeakPolarHBondContact O-CZ 3.48Å |
| 131 | F | 82.5 | Confident | 68 | Low | 9 Ų | 9 | 106.2 Ų | 106.2 | 4% | 0.039 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 118.9 | 166.1 | -73.5 | -96.2 | 0 | 0 | 0 | 109 | L87 T89 P90 I112 A115 W116 Q119 F120 | L87-F131 HydrophobicContact CB-CD1 3.56Å; L87-F131 HydrophobicContact CB-CD2 4.32Å; L87-F131 HydrophobicContact CB-CE1 3.54Å; L87-F131 HydrophobicContact CB-CE2 4.28Å; L87-F131 HydrophobicContact CB-CG 3.97Å; L87-F131 HydrophobicContact CB-CZ 3.93Å; L87-F131 HydrophobicContact CD1-CD2 4.22Å; L87-F131 HydrophobicContact CD1-CE1 4.02Å; L87-F131 HydrophobicContact CD1-CE2 3.59Å; L87-F131 HydrophobicContact CD1-CZ 3.51Å; L87-F131 HydrophobicContact CG-CE1 4.44Å; L87-F131 HydrophobicContact CG-CZ 4.39Å; L87-F131 CarbonylContact O-C 3.49Å; L87-F131 WeakPolarHBondContact O-CA 3.34Å; L87-F131 WeakPolarHBondContact O-CD1 3.42Å; T89-F131 VanDerWaalsContact C-CE1 3.5Å; P90-F131 HydrophobicContact CB-CE1 4.27Å; P90-F131 HydrophobicContact CB-CZ 4.17Å; I112-F131 HydrophobicContact CG2-CZ 3.93Å; A115-F131 HydrophobicContact CB-CE2 4.1Å; W116-F131 VanDerWaalsContact CA-CE2 3.42Å; W116-F131 HydrophobicContact CB-CD2 4.2Å; W116-F131 HydrophobicContact CB-CE1 4.5Å; W116-F131 HydrophobicContact CB-CE2 3.51Å; W116-F131 HydrophobicContact CB-CZ 3.67Å; W116-F131 HydrophobicContact CG-CE2 4.38Å; W116-F131 HydrophobicContact CG-CZ 4.32Å; W116-F131 VanDerWaalsContact N-CE2 3.3Å; Q119-F131 PolarHBondContact NE2-O 3.12Å; F120-F131 HydrophobicContact CE2-CB 3.61Å; F120-F131 HydrophobicContact CE2-CD1 4.36Å; F120-F131 HydrophobicContact CE2-CD2 4.36Å; F120-F131 AromaticContact CE2-CG 3.85Å; F120-F131 HydrophobicContact CE2-CG 3.85Å; F120-F131 HydrophobicContact CZ-CB 3.98Å |
| 132 | S | 76.9 | Confident | 66 | Low | 32 Ų | 32 | 108.3 Ų | 108.3 | 22% | 0.224 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -87.8 | 117 | 163.6 | 49.3 | 0 | 0 | 0 | 0 | 107 | L87 Y88 | L87-S132 PolarHBondContact O-N 2.97Å; Y88-S132 VanDerWaalsContact CD1-O 3.23Å; Y88-S132 WeakPolarHBondContact CD1-O 3.46Å; Y88-S132 VanDerWaalsContact CE1-OG 3.24Å; Y88-S132 WeakPolarHBondContact CE1-OG 3.27Å |
| 133 | I | 69.3 | Low | 64 | Low | 117 Ų | 117 | 104.3 Ų | 104.3 | 60% | 0.6 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 127.3 | 158.1 | -56.5 | 170.1 | 0 | 0 | 0 | 104.3 | F120 E135 | F120-I133 HydrophobicContact CE1-CD1 4.07Å; F120-I133 HydrophobicContact CE1-CG1 4.18Å; F120-I133 HydrophobicContact CZ-CG1 4.15Å; I133-E135 PolarHBondContact O-N 2.71Å |
| 134 | P | 64.2 | Low | 61.9 | Low | 79 Ų | 79 | 113.2 Ų | 113.2 | 51% | 0.513 | 57% | 0.568 | S | S | . | * | trans | -51.5 | 112.4 | 173.4 | -21.3 | 30.4 | 0 | 0 | 0 | 108.4 | Y88 E136 | Y88-P134 HydrophobicContact CD1-CG 3.68Å; Y88-P134 HydrophobicContact CE1-CB 4.45Å; Y88-P134 HydrophobicContact CE1-CG 3.96Å; P134-E136 VanDerWaalsContact C-N 3.3Å; P134-E136 PolarHBondContact O-N 3.25Å | ||
| 135 | E | 57 | Low | 59.9 | Low | 184 Ų | 184 | 115.2 Ų | 115.2 | 86% | 0.86 | 57% | 0.574 | S | S | * | * | trans | -65.3 | 96.6 | 171.3 | -79.1 | 172.9 | 172.1 | 0 | 0 | 106.4 | I133 D137 | I133-E135 PolarHBondContact O-N 2.71Å; E135-D137 VanDerWaalsContact C-N 3.28Å; E135-D137 PolarHBondContact O-N 3.4Å | ||
| 136 | E | 45.4 | Very low | 58.1 | Low | 156 Ų | 156 | 121.4 Ų | 121.4 | 73% | 0.729 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 46.9 | 26.9 | 155.8 | -55.7 | -166.6 | 173 | 0 | 0 | 120.1 | P134 M138 L139 | P134-E136 VanDerWaalsContact C-N 3.3Å; P134-E136 PolarHBondContact O-N 3.25Å; E136-M138 PolarHBondContact O-N 3.22Å; E136-L139 PolarHBondContact O-N 3.04Å |
| 137 | D | 45.4 | Very low | 56.5 | Low | 142 Ų | 142 | 124 Ų | 124 | 76% | 0.759 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 25.9 | 166.7 | -103.1 | -7.7 | 0 | 0 | 0 | 113.7 | E135 L139 | E135-D137 VanDerWaalsContact C-N 3.28Å; E135-D137 PolarHBondContact O-N 3.4Å; D137-L139 VanDerWaalsContact C-N 3.3Å |
| 138 | M | 46.4 | Very low | 55.1 | Low | 165 Ų | 165 | 119.7 Ų | 119.7 | 81% | 0.813 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -8.8 | 166.3 | -62.7 | -64 | 176 | 0 | 0 | 112.4 | E136 | E136-M138 PolarHBondContact O-N 3.22Š|
| 139 | L | 51.5 | Low | 54 | Low | 115 Ų | 115 | 117.2 Ų | 117.2 | 60% | 0.602 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -97.9 | -24.9 | -173 | -76.3 | 160.6 | 0 | 0 | 0 | 115.3 | E136 D137 | E136-L139 PolarHBondContact O-N 3.04Å; D137-L139 VanDerWaalsContact C-N 3.3Å |
| 140 | H | 43.3 | Very low | 52.9 | Low | 153 Ų | 153 | 126.6 Ų | 126.6 | 71% | 0.708 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -141 | 73.9 | -172.1 | -61.2 | -67.3 | 0 | 0 | 0 | 115.8 | ||
| 141 | K | 38 | Very low | 51 | Low | 197 Ų | 197 | 129.8 Ų | 129.8 | 86% | 0.857 | 66% | 0.659 | S | S | * | * | trans | 170.8 | 105.8 | 134.4 | -95.9 | 158.4 | -176.6 | 173.8 | 0 | 111.9 | G143 | K141-G143 VanDerWaalsContact C-N 3.35Å; K141-G143 PolarHBondContact O-N 3.12Å; K141-G143 VanDerWaalsContact O-N 3.12Å | ||
| 142 | P | 43.1 | Very low | 50 | Low | 127 Ų | 127 | 135.1 Ų | 135.1 | 83% | 0.825 | 68% | 0.679 | S | S | * | * | trans | -81.9 | 84.2 | 164.3 | 33.3 | -27.2 | 0 | 0 | 0 | 107.8 | ||||
| 143 | G | 44.2 | Very low | 49.5 | Very low | 55 Ų | 55 | 140.6 Ų | 140.6 | 57% | 0.567 | 70% | 0.695 | S | S | * | * | trans | -169.2 | 36.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | K141 | K141-G143 VanDerWaalsContact C-N 3.35Å; K141-G143 PolarHBondContact O-N 3.12Å; K141-G143 VanDerWaalsContact O-N 3.12Å | ||
| 144 | R | 39.4 | Very low | 49.8 | Very low | 248 Ų | 248 | 140.7 Ų | 140.7 | 94% | 0.936 | 70% | 0.701 | S | S | * | * | trans | 175.3 | 105 | 151.8 | -106 | 173.3 | -116.3 | -141.4 | -0.4 | 108.8 | ||||
| 145 | M | 44 | Very low | 50.2 | Low | 116 Ų | 116 | 143.5 Ų | 143.5 | 57% | 0.571 | 71% | 0.707 | S | S | * | * | trans | -143.8 | 72 | 176.8 | -140.5 | -165.9 | -66.3 | 0 | 0 | 109.8 | N148 | M145-N148 HydrophobicContact CG-CB 3.82Å; M145-N148 HydrophobicContact SD-CB 3.57Å; M145-N148 VanDerWaalsContact SD-CB 3.57Å; M145-N148 VanDerWaalsContact SD-O 3.36Å | ||
| 146 | F | 43.1 | Very low | 51.2 | Low | 224 Ų | 224 | 137.4 Ų | 137.4 | 98% | 0.982 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -86.4 | 95.5 | 154.8 | -85.6 | -85.6 | 0 | 0 | 0 | 106.4 | ||
| 147 | G | 45.2 | Very low | 52.7 | Low | 61 Ų | 61 | 133.7 Ų | 133.7 | 63% | 0.629 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 149 | -27.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 148 | N | 47.8 | Very low | 54.2 | Low | 89 Ų | 89 | 129.2 Ų | 129.2 | 48% | 0.476 | 65% | 0.653 | S | S | . | * | trans | -117.2 | 46.1 | -168 | -25.2 | -24 | 0 | 0 | 0 | 112.3 | M145 F150 F151 | M145-N148 HydrophobicContact CG-CB 3.82Å; M145-N148 HydrophobicContact SD-CB 3.57Å; M145-N148 VanDerWaalsContact SD-CB 3.57Å; M145-N148 VanDerWaalsContact SD-O 3.36Å; N148-F150 PolarHBondContact O-N 3.37Å; N148-F151 HydrophobicContact CB-CD2 4.18Å; N148-F151 PolarHBondContact O-N 3.26Å; N148-F151 VanDerWaalsContact O-N 3.12Å | ||
| 149 | V | 49.7 | Very low | 55.7 | Low | 87 Ų | 87 | 124.6 Ų | 124.6 | 53% | 0.527 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.2 | -16.8 | -176.1 | -170.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 150 | F | 53.3 | Low | 57.2 | Low | 198 Ų | 198 | 123.8 Ų | 123.8 | 87% | 0.868 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -13.2 | 179.7 | -58.9 | -75 | 0 | 0 | 0 | 115 | N148 R152 | N148-F150 PolarHBondContact O-N 3.37Å; F150-R152 PolarHBondContact O-N 3.45Å |
| 151 | F | 41.8 | Very low | 59.2 | Low | 171 Ų | 171 | 121.9 Ų | 121.9 | 75% | 0.75 | 62% | 0.617 | S | S | * | * | trans | -100.3 | 58.7 | 174.2 | -63.4 | -76.7 | 0 | 0 | 0 | 110.7 | N148 | N148-F151 HydrophobicContact CB-CD2 4.18Å; N148-F151 PolarHBondContact O-N 3.26Å; N148-F151 VanDerWaalsContact O-N 3.12Å | ||
| 152 | R | 61.8 | Low | 61.4 | Low | 122 Ų | 122 | 117.6 Ų | 117.6 | 46% | 0.46 | 60% | 0.603 | S | S | . | * | trans | -74 | 144 | 168.4 | -69.9 | -177.5 | 180 | 171.6 | 1.4 | 109 | F150 T154 V157 | F150-R152 PolarHBondContact O-N 3.45Å; R152-T154 PolarHBondContact O-N 3.41Å; R152-V157 HydrophobicContact CB-CG2 3.79Å | ||
| 153 | R | 66.9 | Low | 63.4 | Low | 147 Ų | 147 | 121.3 Ų | 121.3 | 56% | 0.555 | 60% | 0.601 | S | S | * | * | trans | -53.4 | 136.1 | 167 | -73.6 | -175.3 | -179.2 | 160.7 | -1.3 | 108.8 | E155 T156 V157 | R153-E155 PolarHBondContact O-N 2.89Å; R153-E155 VanDerWaalsContact O-N 3.14Å; R153-T156 WeakPolarHBondContact O-CB 3.39Å; R153-T156 PolarHBondContact O-N 3.25Å; R153-V157 PolarHBondContact O-N 3.37Å | ||
| 154 | T | 73.8 | Confident | 65.3 | Low | 119 Ų | 119 | 125.2 Ų | 125.2 | 73% | 0.73 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -49.9 | -39.2 | 177.5 | 47.8 | 0 | 0 | 0 | 0 | 111.4 | R152 T156 V157 A158 | R152-T154 PolarHBondContact O-N 3.41Å; T154-T156 PolarHBondContact O-N 3.24Å; T154-V157 PolarHBondContact O-N 3.05Å; T154-A158 WeakPolarHBondContact O-CB 3.37Å; T154-A158 PolarHBondContact O-N 2.87Å |
| 155 | E | 73.6 | Confident | 67.4 | Low | 137 Ų | 137 | 119.3 Ų | 119.3 | 64% | 0.64 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.5 | -38.3 | 174.6 | -61.5 | 171.1 | 171.9 | 0 | 0 | 114 | R153 A158 S159 | R153-E155 PolarHBondContact O-N 2.89Å; R153-E155 VanDerWaalsContact O-N 3.14Å; E155-A158 PolarHBondContact O-N 2.86Å; E155-S159 WeakPolarHBondContact O-CB 3.39Å; E155-S159 PolarHBondContact O-N 3.49Å; E155-S159 PolarHBondContact O-OG 3.14Å |
| 156 | T | 77 | Confident | 69.1 | Low | 56 Ų | 56 | 121.3 Ų | 121.3 | 34% | 0.344 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.5 | -39.5 | 177.9 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | R153 T154 S159 Q160 | R153-T156 WeakPolarHBondContact O-CB 3.39Å; R153-T156 PolarHBondContact O-N 3.25Å; T154-T156 PolarHBondContact O-N 3.24Å; T156-S159 WeakPolarHBondContact CA-OG 3.13Å; T156-S159 PolarHBondContact O-OG 3.5Å; T156-S159 VanDerWaalsContact O-OG 3.05Å; T156-Q160 WeakPolarHBondContact O-CB 3.43Å; T156-Q160 VanDerWaalsContact O-CG 3.31Å; T156-Q160 WeakPolarHBondContact O-CG 3.35Å; T156-Q160 PolarHBondContact O-N 2.86Å; T156-Q160 VanDerWaalsContact O-N 3.08Å |
| 157 | V | 77 | Confident | 70.9 | Confident | 79 Ų | 79 | 116.6 Ų | 116.6 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.9 | -44.7 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | R152 R153 T154 Q160 Y161 | R152-V157 HydrophobicContact CB-CG2 3.79Å; R153-V157 PolarHBondContact O-N 3.37Å; T154-V157 PolarHBondContact O-N 3.05Å; V157-Q160 PolarHBondContact O-N 2.95Å; V157-Y161 WeakPolarHBondContact O-CB 3.35Å; V157-Y161 PolarHBondContact O-N 2.92Å |
| 158 | A | 78.3 | Confident | 72.3 | Confident | 47 Ų | 47 | 118.4 Ų | 118.4 | 39% | 0.388 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.3 | -48 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T154 E155 Q160 Y161 L162 | T154-A158 WeakPolarHBondContact O-CB 3.37Å; T154-A158 PolarHBondContact O-N 2.87Å; E155-A158 PolarHBondContact O-N 2.86Å; A158-Q160 PolarHBondContact O-N 2.85Å; A158-Y161 WeakPolarHBondContact O-CB 3.31Å; A158-Y161 PolarHBondContact O-N 3.08Å; A158-L162 WeakPolarHBondContact O-CD1 3.44Å; A158-L162 PolarHBondContact O-N 3.16Å |
| 159 | S | 77.4 | Confident | 73.6 | Confident | 69 Ų | 69 | 118.8 Ų | 118.8 | 48% | 0.483 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.8 | -38.6 | 178.7 | 53.2 | 0 | 0 | 0 | 0 | 113 | E155 T156 L162 R163 | E155-S159 WeakPolarHBondContact O-CB 3.39Å; E155-S159 PolarHBondContact O-N 3.49Å; E155-S159 PolarHBondContact O-OG 3.14Å; T156-S159 WeakPolarHBondContact CA-OG 3.13Å; T156-S159 PolarHBondContact O-OG 3.5Å; T156-S159 VanDerWaalsContact O-OG 3.05Å; S159-L162 PolarHBondContact O-N 3.47Å; S159-R163 WeakPolarHBondContact O-CB 3.33Å; S159-R163 PolarHBondContact O-N 3.42Å |
| 160 | Q | 82.8 | Confident | 74.8 | Confident | 97 Ų | 97 | 119.9 Ų | 119.9 | 45% | 0.453 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 171.5 | -74.6 | -178.1 | 20.4 | 0 | 0 | 111.6 | T156 V157 A158 R163 W164 | T156-Q160 WeakPolarHBondContact O-CB 3.43Å; T156-Q160 VanDerWaalsContact O-CG 3.31Å; T156-Q160 WeakPolarHBondContact O-CG 3.35Å; T156-Q160 PolarHBondContact O-N 2.86Å; T156-Q160 VanDerWaalsContact O-N 3.08Å; V157-Q160 PolarHBondContact O-N 2.95Å; A158-Q160 PolarHBondContact O-N 2.85Å; Q160-R163 PolarHBondContact O-N 3.07Å; Q160-W164 WeakPolarHBondContact O-CB 3.41Å; Q160-W164 PolarHBondContact O-N 3.18Å |
| 161 | Y | 84.4 | Confident | 75.5 | Confident | 113 Ų | 113 | 117.2 Ų | 117.2 | 44% | 0.443 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 176.8 | -177.9 | -103.1 | 0 | 0 | 0 | 112.5 | V157 A158 R163 W164 R165 | V157-Y161 WeakPolarHBondContact O-CB 3.35Å; V157-Y161 PolarHBondContact O-N 2.92Å; A158-Y161 WeakPolarHBondContact O-CB 3.31Å; A158-Y161 PolarHBondContact O-N 3.08Å; Y161-R163 VanDerWaalsContact C-N 3.35Å; Y161-R163 PolarHBondContact O-N 3.34Å; Y161-W164 PolarHBondContact O-N 2.86Å; Y161-R165 HydrophobicContact CE1-CG 4.16Å; Y161-R165 PolarHBondContact O-N 3.06Å; Y161-R165 VanDerWaalsContact OH-CZ 3.26Å; Y161-R165 PolarHBondContact OH-NE 3.49Å; Y161-R165 PolarHBondContact OH-NH2 2.9Å |
| 162 | L | 85.2 | Confident | 76.4 | Confident | 107 Ų | 107 | 114.2 Ų | 114.2 | 56% | 0.56 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 175.6 | -92.6 | 77.9 | 0 | 0 | 0 | 111.5 | A158 S159 W164 R165 R166 | A158-L162 WeakPolarHBondContact O-CD1 3.44Å; A158-L162 PolarHBondContact O-N 3.16Å; S159-L162 PolarHBondContact O-N 3.47Å; L162-W164 VanDerWaalsContact C-N 3.35Å; L162-R165 PolarHBondContact O-N 2.86Å; L162-R166 WeakPolarHBondContact O-CB 3.47Å; L162-R166 PolarHBondContact O-N 3.38Å |
| 163 | R | 84.1 | Confident | 76.6 | Confident | 205 Ų | 205 | 110.1 Ų | 110.1 | 77% | 0.774 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -41.1 | 177 | -172.7 | 169.9 | -176.6 | 164.2 | 0.5 | 111.6 | S159 Q160 Y161 R166 F167 | S159-R163 WeakPolarHBondContact O-CB 3.33Å; S159-R163 PolarHBondContact O-N 3.42Å; Q160-R163 PolarHBondContact O-N 3.07Å; Y161-R163 VanDerWaalsContact C-N 3.35Å; Y161-R163 PolarHBondContact O-N 3.34Å; R163-R166 PolarHBondContact O-N 3.45Å; R163-F167 WeakPolarHBondContact O-CB 3.33Å; R163-F167 PolarHBondContact O-N 3.35Å |
| 164 | W | 84.9 | Confident | 76.3 | Confident | 137 Ų | 137 | 111.8 Ų | 111.8 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -50 | 175.7 | -177.8 | 86.8 | 0 | 0 | 0 | 111.2 | Q160 Y161 L162 R166 F167 Y168 | Q160-W164 WeakPolarHBondContact O-CB 3.41Å; Q160-W164 PolarHBondContact O-N 3.18Å; Y161-W164 PolarHBondContact O-N 2.86Å; L162-W164 VanDerWaalsContact C-N 3.35Å; W164-R166 VanDerWaalsContact C-N 3.35Å; W164-R166 PolarHBondContact O-N 2.96Å; W164-F167 WeakPolarHBondContact O-CB 3.42Å; W164-F167 PolarHBondContact O-N 3.11Å; W164-F167 VanDerWaalsContact O-N 3.12Å; W164-Y168 AromaticContact CD1-CD2 3.86Å; W164-Y168 AromaticContact CD1-CE2 3.51Å; W164-Y168 AromaticContact CD2-CD2 3.9Å; W164-Y168 HydrophobicContact CD2-CD2 3.9Å; W164-Y168 HydrophobicContact CD2-CE2 4.12Å; W164-Y168 AromaticContact CE2-CD2 3.52Å; W164-Y168 AromaticContact CE2-CE2 3.35Å; W164-Y168 AromaticContact CE2-CZ 3.97Å; W164-Y168 HydrophobicContact CG-CD2 4.09Å; W164-Y168 HydrophobicContact CG-CE2 4.19Å; W164-Y168 AromaticContact CZ2-CD2 3.94Å; W164-Y168 HydrophobicContact CZ2-CD2 3.94Å; W164-Y168 HydrophobicContact CZ2-CE1 4.41Å; W164-Y168 AromaticContact CZ2-CE2 3.81Å; W164-Y168 HydrophobicContact CZ2-CE2 3.81Å; W164-Y168 HydrophobicContact CZ2-CG 4.35Å; W164-Y168 AromaticContact CZ2-CZ 4Å; W164-Y168 AromaticContact NE1-CD2 3.54Å; W164-Y168 AromaticContact NE1-CE2 2.97Å; W164-Y168 AromaticContact NE1-CZ 3.69Å; W164-Y168 WeakPolarHBondContact O-CD2 3.4Å; W164-Y168 PolarHBondContact O-N 3.14Å |
| 165 | R | 84 | Confident | 75.7 | Confident | 124 Ų | 124 | 113.2 Ų | 113.2 | 47% | 0.468 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -55 | -49.5 | 174.3 | -83.7 | -168.9 | 169.3 | -123.2 | 4.3 | 111.5 | Y161 L162 F167 Y168 T169 | Y161-R165 HydrophobicContact CE1-CG 4.16Å; Y161-R165 PolarHBondContact O-N 3.06Å; Y161-R165 VanDerWaalsContact OH-CZ 3.26Å; Y161-R165 PolarHBondContact OH-NE 3.49Å; Y161-R165 PolarHBondContact OH-NH2 2.9Å; L162-R165 PolarHBondContact O-N 2.86Å; R165-F167 VanDerWaalsContact C-N 3.29Å; R165-F167 PolarHBondContact O-N 3.29Å; R165-Y168 PolarHBondContact O-N 3.48Å; R165-T169 PolarHBondContact O-N 3.07Å; R165-T169 PolarHBondContact O-OG1 3.22Å |
| 166 | R | 79.6 | Confident | 75 | Confident | 159 Ų | 159 | 114.8 Ų | 114.8 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.1 | -37.7 | 178.9 | -163.9 | -179.7 | -74.6 | -156.3 | -1 | 112.2 | L162 R163 W164 K170 | L162-R166 WeakPolarHBondContact O-CB 3.47Å; L162-R166 PolarHBondContact O-N 3.38Å; R163-R166 PolarHBondContact O-N 3.45Å; W164-R166 VanDerWaalsContact C-N 3.35Å; W164-R166 PolarHBondContact O-N 2.96Å; R166-K170 WeakPolarHBondContact O-CB 3.3Å; R166-K170 VanDerWaalsContact O-CG 3.3Å; R166-K170 WeakPolarHBondContact O-CG 3.4Å; R166-K170 PolarHBondContact O-N 2.98Å; R166-K170 VanDerWaalsContact O-N 3.13Å |
| 167 | F | 80.9 | Confident | 73.9 | Confident | 124 Ų | 124 | 115.9 Ų | 115.9 | 54% | 0.544 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -46.9 | 176.2 | 176.1 | -96.7 | 0 | 0 | 0 | 112.5 | R163 W164 R165 K170 R171 | R163-F167 WeakPolarHBondContact O-CB 3.33Å; R163-F167 PolarHBondContact O-N 3.35Å; W164-F167 WeakPolarHBondContact O-CB 3.42Å; W164-F167 PolarHBondContact O-N 3.11Å; W164-F167 VanDerWaalsContact O-N 3.12Å; R165-F167 VanDerWaalsContact C-N 3.29Å; R165-F167 PolarHBondContact O-N 3.29Å; F167-K170 PolarHBondContact O-N 3.46Å; F167-R171 PolarHBondContact O-N 2.96Å |
| 168 | Y | 74.4 | Confident | 73 | Confident | 100 Ų | 100 | 115.9 Ų | 115.9 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69 | -41.6 | -179.6 | -85.7 | -97.4 | 0 | 0 | 0 | 112.1 | W164 R165 K170 R171 H172 | W164-Y168 AromaticContact CD1-CD2 3.86Å; W164-Y168 AromaticContact CD1-CE2 3.51Å; W164-Y168 AromaticContact CD2-CD2 3.9Å; W164-Y168 HydrophobicContact CD2-CD2 3.9Å; W164-Y168 HydrophobicContact CD2-CE2 4.12Å; W164-Y168 AromaticContact CE2-CD2 3.52Å; W164-Y168 AromaticContact CE2-CE2 3.35Å; W164-Y168 AromaticContact CE2-CZ 3.97Å; W164-Y168 HydrophobicContact CG-CD2 4.09Å; W164-Y168 HydrophobicContact CG-CE2 4.19Å; W164-Y168 AromaticContact CZ2-CD2 3.94Å; W164-Y168 HydrophobicContact CZ2-CD2 3.94Å; W164-Y168 HydrophobicContact CZ2-CE1 4.41Å; W164-Y168 AromaticContact CZ2-CE2 3.81Å; W164-Y168 HydrophobicContact CZ2-CE2 3.81Å; W164-Y168 HydrophobicContact CZ2-CG 4.35Å; W164-Y168 AromaticContact CZ2-CZ 4Å; W164-Y168 AromaticContact NE1-CD2 3.54Å; W164-Y168 AromaticContact NE1-CE2 2.97Å; W164-Y168 AromaticContact NE1-CZ 3.69Å; W164-Y168 WeakPolarHBondContact O-CD2 3.4Å; W164-Y168 PolarHBondContact O-N 3.14Å; R165-Y168 PolarHBondContact O-N 3.48Å; Y168-K170 VanDerWaalsContact C-N 3.34Å; Y168-K170 PolarHBondContact O-N 3.27Å; Y168-R171 WeakPolarHBondContact O-CB 3.26Å; Y168-R171 PolarHBondContact O-N 2.96Å; Y168-H172 PolarHBondContact O-CD2 3.13Å; Y168-H172 VanDerWaalsContact O-CD2 3.28Å; Y168-H172 PolarHBondContact O-N 3.12Å |
| 169 | T | 74.6 | Confident | 72.1 | Confident | 96 Ų | 96 | 120.1 Ų | 120.1 | 59% | 0.589 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.5 | -43.2 | 174.8 | -51.8 | 0 | 0 | 0 | 0 | 111.2 | R165 R171 H172 A173 | R165-T169 PolarHBondContact O-N 3.07Å; R165-T169 PolarHBondContact O-OG1 3.22Å; T169-R171 VanDerWaalsContact C-N 3.28Å; T169-R171 PolarHBondContact O-N 3.05Å; T169-H172 PolarHBondContact O-N 3.19Å; T169-A173 WeakPolarHBondContact O-CB 3.22Å; T169-A173 PolarHBondContact O-N 2.79Å |
| 170 | K | 75.5 | Confident | 71.1 | Confident | 110 Ų | 110 | 121.6 Ų | 121.6 | 48% | 0.478 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.1 | -35 | 173.9 | -78.1 | -178.1 | -179.8 | -171.8 | 0 | 112.6 | R166 F167 Y168 R174 | R166-K170 WeakPolarHBondContact O-CB 3.3Å; R166-K170 VanDerWaalsContact O-CG 3.3Å; R166-K170 WeakPolarHBondContact O-CG 3.4Å; R166-K170 PolarHBondContact O-N 2.98Å; R166-K170 VanDerWaalsContact O-N 3.13Å; F167-K170 PolarHBondContact O-N 3.46Å; Y168-K170 VanDerWaalsContact C-N 3.34Å; Y168-K170 PolarHBondContact O-N 3.27Å; K170-R174 VanDerWaalsContact O-CG 3.3Å; K170-R174 WeakPolarHBondContact O-CG 3.5Å; K170-R174 PolarHBondContact O-N 3.47Å |
| 171 | R | 67.8 | Low | 69.9 | Low | 142 Ų | 142 | 119.3 Ų | 119.3 | 54% | 0.536 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.7 | -43.9 | 177.2 | -171.7 | 178.4 | 177.2 | 106 | -0.7 | 111.8 | F167 Y168 T169 R174 Q175 | F167-R171 PolarHBondContact O-N 2.96Å; Y168-R171 WeakPolarHBondContact O-CB 3.26Å; Y168-R171 PolarHBondContact O-N 2.96Å; T169-R171 VanDerWaalsContact C-N 3.28Å; T169-R171 PolarHBondContact O-N 3.05Å; R171-R174 PolarHBondContact O-N 2.87Å; R171-Q175 PolarHBondContact O-N 2.97Å |
| 172 | H | 61.2 | Low | 68.7 | Low | 109 Ų | 109 | 116.2 Ų | 116.2 | 51% | 0.505 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 177.4 | -80.9 | -76.6 | 0 | 0 | 0 | 112.4 | Y168 T169 R174 Q175 K176 | Y168-H172 PolarHBondContact O-CD2 3.13Å; Y168-H172 VanDerWaalsContact O-CD2 3.28Å; Y168-H172 PolarHBondContact O-N 3.12Å; T169-H172 PolarHBondContact O-N 3.19Å; H172-R174 VanDerWaalsContact C-N 3.33Å; H172-R174 PolarHBondContact O-N 3.48Å; H172-Q175 PolarHBondContact O-N 3.35Å; H172-Q175 VanDerWaalsContact O-N 3.14Å; H172-K176 PolarHBondContact O-N 3.49Å; H172-K176 VanDerWaalsContact O-N 3.11Å |
| 173 | A | 64.3 | Low | 67.5 | Low | 36 Ų | 36 | 115.5 Ų | 115.5 | 30% | 0.298 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56 | -48.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T169 Q175 K176 M177 | T169-A173 WeakPolarHBondContact O-CB 3.22Å; T169-A173 PolarHBondContact O-N 2.79Å; A173-Q175 PolarHBondContact O-N 3Å; A173-Q175 VanDerWaalsContact O-N 3.13Å; A173-K176 PolarHBondContact O-N 3.12Å; A173-K176 VanDerWaalsContact O-N 3.1Å; A173-M177 HydrophobicContact CB-CE 3.93Å; A173-M177 VanDerWaalsContact O-CG 3.24Å; A173-M177 WeakPolarHBondContact O-CG 3.39Å; A173-M177 PolarHBondContact O-N 2.83Å |
| 174 | R | 61.2 | Low | 66.3 | Low | 181 Ų | 181 | 111.5 Ų | 111.5 | 68% | 0.683 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.1 | -26.2 | 179.2 | -72.8 | 172.9 | -176.9 | 167.2 | 1.3 | 114.6 | K170 R171 H172 | K170-R174 VanDerWaalsContact O-CG 3.3Å; K170-R174 WeakPolarHBondContact O-CG 3.5Å; K170-R174 PolarHBondContact O-N 3.47Å; R171-R174 PolarHBondContact O-N 2.87Å; H172-R174 VanDerWaalsContact C-N 3.33Å; H172-R174 PolarHBondContact O-N 3.48Å |
| 175 | Q | 61.4 | Low | 65.1 | Low | 149 Ų | 149 | 109.5 Ų | 109.5 | 70% | 0.696 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -86.9 | -26.3 | 177.6 | -69.7 | -162.4 | -13.6 | 0 | 0 | 113.3 | R171 H172 A173 | R171-Q175 PolarHBondContact O-N 2.97Å; H172-Q175 PolarHBondContact O-N 3.35Å; H172-Q175 VanDerWaalsContact O-N 3.14Å; A173-Q175 PolarHBondContact O-N 3Å; A173-Q175 VanDerWaalsContact O-N 3.13Å |
| 176 | K | 58.2 | Low | 64.1 | Low | 171 Ų | 171 | 111.2 Ų | 111.2 | 74% | 0.743 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -95.1 | -16.3 | -179.3 | -70.1 | -172 | 176.2 | -173.4 | 0 | 114.3 | H172 A173 P178 | H172-K176 PolarHBondContact O-N 3.49Å; H172-K176 VanDerWaalsContact O-N 3.11Å; A173-K176 PolarHBondContact O-N 3.12Å; A173-K176 VanDerWaalsContact O-N 3.1Å; K176-P178 WeakPolarHBondContact O-CD 3.46Å |
| 177 | M | 55.8 | Low | 63.1 | Low | 78 Ų | 78 | 107.8 Ų | 107.8 | 38% | 0.384 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -67.4 | 122.9 | 179.5 | -69.6 | -47.4 | 161.3 | 0 | 0 | 110.7 | A173 C181 L182 | A173-M177 HydrophobicContact CB-CE 3.93Å; A173-M177 VanDerWaalsContact O-CG 3.24Å; A173-M177 WeakPolarHBondContact O-CG 3.39Å; A173-M177 PolarHBondContact O-N 2.83Å; M177-C181 HydrophobicContact CB-CB 4.37Å; M177-L182 HydrophobicContact CB-CD2 4.49Å; M177-L182 HydrophobicContact CB-CG 4.2Å |
| 178 | P | 57.4 | Low | 62.1 | Low | 79 Ų | 79 | 106.2 Ų | 106.2 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | trans | -58.4 | 148.5 | 171.2 | 23.4 | -31.1 | 0 | 0 | 0 | 109.8 | K176 T180 C181 L182 | K176-P178 WeakPolarHBondContact O-CD 3.46Å; P178-T180 PolarHBondContact O-N 2.91Å; P178-C181 HydrophobicContact CG-CB 4.47Å; P178-C181 PolarHBondContact O-N 3.23Å; P178-L182 PolarHBondContact O-N 3.45Å | ||
| 179 | L | 58.6 | Low | 61.4 | Low | 137 Ų | 137 | 110.3 Ų | 110.3 | 72% | 0.717 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -48.8 | -32.8 | -176.8 | -101.1 | 78.1 | 0 | 0 | 0 | 112.9 | C181 L182 I183 | L179-C181 PolarHBondContact O-N 3.3Å; L179-L182 PolarHBondContact O-N 3.34Å; L179-I183 WeakPolarHBondContact O-CD1 3.31Å; L179-I183 VanDerWaalsContact O-CG1 3.24Å; L179-I183 WeakPolarHBondContact O-CG1 3.3Å; L179-I183 PolarHBondContact O-N 3.06Å |
| 180 | T | 57.7 | Low | 60.4 | Low | 99 Ų | 99 | 115.6 Ų | 115.6 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.7 | -41.6 | 177.5 | 52 | 0 | 0 | 0 | 0 | 112.8 | P178 I183 Q184 | P178-T180 PolarHBondContact O-N 2.91Å; T180-I183 PolarHBondContact O-N 3.05Å; T180-Q184 WeakPolarHBondContact O-CG 3.45Å; T180-Q184 PolarHBondContact O-N 2.92Å; T180-Q184 VanDerWaalsContact O-N 3.08Å |
| 181 | C | 56.4 | Low | 59.5 | Low | 49 Ų | 49 | 116.6 Ų | 116.6 | 33% | 0.331 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -75.7 | -35.9 | 179.5 | -159 | 0 | 0 | 0 | 0 | 111.6 | M177 P178 L179 I183 Q184 I185 | M177-C181 HydrophobicContact CB-CB 4.37Å; P178-C181 HydrophobicContact CG-CB 4.47Å; P178-C181 PolarHBondContact O-N 3.23Å; L179-C181 PolarHBondContact O-N 3.3Å; C181-I183 VanDerWaalsContact C-N 3.31Å; C181-I183 PolarHBondContact O-N 3.42Å; C181-Q184 PolarHBondContact O-N 3.32Å; C181-I185 WeakPolarHBondContact O-CG1 3.4Å; C181-I185 PolarHBondContact O-N 3.28Å |
| 182 | L | 59.2 | Low | 58.5 | Low | 48 Ų | 48 | 112.3 Ų | 112.3 | 25% | 0.251 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -34.7 | 171.8 | -73 | 173.8 | 0 | 0 | 0 | 112.6 | M177 P178 L179 R186 | M177-L182 HydrophobicContact CB-CD2 4.49Å; M177-L182 HydrophobicContact CB-CG 4.2Å; P178-L182 PolarHBondContact O-N 3.45Å; L179-L182 PolarHBondContact O-N 3.34Å; L182-R186 WeakPolarHBondContact O-CB 3.36Å; L182-R186 VanDerWaalsContact O-CG 3.31Å; L182-R186 WeakPolarHBondContact O-CG 3.48Å; L182-R186 PolarHBondContact O-N 3.33Å |
| 183 | I | 60.4 | Low | 57.6 | Low | 93 Ų | 93 | 113 Ų | 113 | 48% | 0.477 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.8 | -48.2 | 174.3 | -68 | 161.6 | 0 | 0 | 0 | 109.9 | L179 T180 C181 I185 R186 L187 | L179-I183 WeakPolarHBondContact O-CD1 3.31Å; L179-I183 VanDerWaalsContact O-CG1 3.24Å; L179-I183 WeakPolarHBondContact O-CG1 3.3Å; L179-I183 PolarHBondContact O-N 3.06Å; T180-I183 PolarHBondContact O-N 3.05Å; C181-I183 VanDerWaalsContact C-N 3.31Å; C181-I183 PolarHBondContact O-N 3.42Å; I183-I185 PolarHBondContact O-N 3.3Å; I183-R186 CarbonylContact O-C 3.6Å; I183-R186 PolarHBondContact O-N 3.42Å; I183-R186 VanDerWaalsContact O-N 3.15Å; I183-L187 WeakPolarHBondContact O-CB 3.14Å; I183-L187 PolarHBondContact O-N 2.92Å |
| 184 | Q | 57.8 | Low | 56.7 | Low | 121 Ų | 121 | 118.7 Ų | 118.7 | 57% | 0.565 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -56.7 | -47.8 | 176.6 | -73.1 | -71.6 | -12.5 | 0 | 0 | 111.9 | T180 C181 R186 L187 V188 | T180-Q184 WeakPolarHBondContact O-CG 3.45Å; T180-Q184 PolarHBondContact O-N 2.92Å; T180-Q184 VanDerWaalsContact O-N 3.08Å; C181-Q184 PolarHBondContact O-N 3.32Å; Q184-R186 PolarHBondContact O-N 2.92Å; Q184-L187 PolarHBondContact O-N 3.1Å; Q184-L187 VanDerWaalsContact O-N 3.11Å; Q184-V188 WeakPolarHBondContact O-CG2 3.36Å; Q184-V188 PolarHBondContact O-N 2.86Å |
| 185 | I | 61.4 | Low | 55.7 | Low | 94 Ų | 94 | 119.1 Ų | 119.1 | 48% | 0.482 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.4 | -41.2 | 176.2 | -67.7 | 168.2 | 0 | 0 | 0 | 111.5 | C181 I183 L187 R189 | C181-I185 WeakPolarHBondContact O-CG1 3.4Å; C181-I185 PolarHBondContact O-N 3.28Å; I183-I185 PolarHBondContact O-N 3.3Å; I185-L187 VanDerWaalsContact C-N 3.28Å; I185-L187 PolarHBondContact O-N 3.45Å; I185-R189 WeakPolarHBondContact O-CB 3.24Å; I185-R189 PolarHBondContact O-N 2.85Å |
| 186 | R | 62.8 | Low | 54.5 | Low | 161 Ų | 161 | 124.4 Ų | 124.4 | 61% | 0.608 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.5 | -34.3 | 175.1 | -80.1 | -175.4 | -177.2 | 113.3 | -5.2 | 112.1 | L182 I183 Q184 R190 | L182-R186 WeakPolarHBondContact O-CB 3.36Å; L182-R186 VanDerWaalsContact O-CG 3.31Å; L182-R186 WeakPolarHBondContact O-CG 3.48Å; L182-R186 PolarHBondContact O-N 3.33Å; I183-R186 CarbonylContact O-C 3.6Å; I183-R186 PolarHBondContact O-N 3.42Å; I183-R186 VanDerWaalsContact O-N 3.15Å; Q184-R186 PolarHBondContact O-N 2.92Å; R186-R190 WeakPolarHBondContact O-CB 3.48Å; R186-R190 WeakPolarHBondContact O-CG 3.38Å; R186-R190 PolarHBondContact O-N 2.86Å |
| 187 | L | 58.9 | Low | 53.4 | Low | 86 Ų | 86 | 121.4 Ų | 121.4 | 45% | 0.45 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -73 | -47.1 | 179.7 | -140.8 | 160.3 | 0 | 0 | 0 | 110.5 | I183 Q184 I185 R189 R190 I191 | I183-L187 WeakPolarHBondContact O-CB 3.14Å; I183-L187 PolarHBondContact O-N 2.92Å; Q184-L187 PolarHBondContact O-N 3.1Å; Q184-L187 VanDerWaalsContact O-N 3.11Å; I185-L187 VanDerWaalsContact C-N 3.28Å; I185-L187 PolarHBondContact O-N 3.45Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.4Å; L187-R190 WeakPolarHBondContact O-CB 3.23Å; L187-R190 PolarHBondContact O-N 2.87Å; L187-R190 VanDerWaalsContact O-N 3.1Å; L187-I191 HydrophobicContact CD2-CD1 3.55Å; L187-I191 HydrophobicContact CD2-CG1 4.17Å; L187-I191 WeakPolarHBondContact O-CG1 3.37Å; L187-I191 PolarHBondContact O-N 3.19Å |
| 188 | V | 59.2 | Low | 52.9 | Low | 92 Ų | 92 | 128.4 Ų | 128.4 | 56% | 0.558 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -59.2 | -41.7 | 171.7 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | Q184 I191 G192 | Q184-V188 WeakPolarHBondContact O-CG2 3.36Å; Q184-V188 PolarHBondContact O-N 2.86Å; V188-I191 PolarHBondContact O-N 3.38Å; V188-G192 PolarHBondContact O-N 2.84Å |
| 189 | R | 58.4 | Low | 51.9 | Low | 185 Ų | 185 | 131.1 Ų | 131.1 | 70% | 0.698 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.1 | -28.9 | 176.1 | -170.3 | 178.4 | 161.4 | 90.6 | 3.3 | 113.1 | I185 L187 N193 | I185-R189 WeakPolarHBondContact O-CB 3.24Å; I185-R189 PolarHBondContact O-N 2.85Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.4Å; R189-N193 VanDerWaalsContact O-CG 3.31Å; R189-N193 PolarHBondContact O-ND2 3.45Å; R189-N193 PolarHBondContact O-OD1 3.16Å |
| 190 | R | 54.1 | Low | 51 | Low | 207 Ų | 207 | 129.9 Ų | 129.9 | 78% | 0.781 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.6 | -39.8 | 171.3 | -89.4 | -172.8 | 178.3 | 177.8 | -0 | 111.5 | R186 L187 | R186-R190 WeakPolarHBondContact O-CB 3.48Å; R186-R190 WeakPolarHBondContact O-CG 3.38Å; R186-R190 PolarHBondContact O-N 2.86Å; L187-R190 WeakPolarHBondContact O-CB 3.23Å; L187-R190 PolarHBondContact O-N 2.87Å; L187-R190 VanDerWaalsContact O-N 3.1Å |
| 191 | I | 56.8 | Low | 50.2 | Low | 131 Ų | 131 | 132.2 Ų | 132.2 | 67% | 0.672 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.7 | -40.9 | 178.3 | -65 | 171 | 0 | 0 | 0 | 110.7 | L187 V188 N193 | L187-I191 HydrophobicContact CD2-CD1 3.55Å; L187-I191 HydrophobicContact CD2-CG1 4.17Å; L187-I191 WeakPolarHBondContact O-CG1 3.37Å; L187-I191 PolarHBondContact O-N 3.19Å; V188-I191 PolarHBondContact O-N 3.38Å; I191-N193 VanDerWaalsContact C-N 3.26Å; I191-N193 PolarHBondContact O-N 3.42Å |
| 192 | G | 46.6 | Very low | 49.2 | Very low | 53 Ų | 53 | 136.3 Ų | 136.3 | 55% | 0.546 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.9 | 14.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | V188 L194 | V188-G192 PolarHBondContact O-N 2.84Å; G192-L194 PolarHBondContact O-N 3.06Å |
| 193 | N | 43.6 | Very low | 48.4 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 66% | 0.663 | 68% | 0.677 | S | S | * | * | trans | -72.7 | 10.3 | 177 | -82.1 | -29 | 0 | 0 | 0 | 114.1 | R189 I191 | R189-N193 VanDerWaalsContact O-CG 3.31Å; R189-N193 PolarHBondContact O-ND2 3.45Å; R189-N193 PolarHBondContact O-OD1 3.16Å; I191-N193 VanDerWaalsContact C-N 3.26Å; I191-N193 PolarHBondContact O-N 3.42Å | ||
| 194 | L | 45.4 | Very low | 47.3 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 81% | 0.812 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -110.6 | 117.6 | 172.8 | -163.7 | 64.8 | 0 | 0 | 0 | 109.2 | G192 | G192-L194 PolarHBondContact O-N 3.06Š|
| 195 | K | 38.6 | Very low | 46.1 | Very low | 190 Ų | 190 | 146 Ų | 146 | 83% | 0.826 | 71% | 0.705 | S | S | * | * | trans | 83.4 | 78.9 | -178.5 | -64.7 | 176.4 | 173.6 | 176 | 0 | 116.3 | S197 | K195-S197 PolarHBondContact O-N 3.47Å; K195-S197 VanDerWaalsContact O-N 3.16Å | ||
| 196 | R | 36.3 | Very low | 44.9 | Very low | 260 Ų | 260 | 148.2 Ų | 148.2 | 98% | 0.981 | 72% | 0.717 | S | S | * | * | trans | -55.3 | 106.9 | 141.3 | -81 | 176 | 166.1 | 179.3 | -4.3 | 108.2 | ||||
| 197 | S | 36.6 | Very low | 43.6 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | -133.7 | 133.2 | 157.8 | -167.7 | 0 | 0 | 0 | 0 | 107.9 | K195 D199 | K195-S197 PolarHBondContact O-N 3.47Å; K195-S197 VanDerWaalsContact O-N 3.16Å; S197-D199 PolarHBondContact O-N 3.46Å | ||
| 198 | Y | 44 | Very low | 42.4 | Very low | 225 Ų | 225 | 153.2 Ų | 153.2 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -53.1 | 105.3 | 174.3 | -103.2 | -113 | 0 | 0 | 0 | 109.6 | ||
| 199 | D | 36.1 | Very low | 41.2 | Very low | 136 Ų | 136 | 153.9 Ų | 153.9 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 171.1 | 101.4 | 139.5 | -94.8 | -44.3 | 0 | 0 | 0 | 107.4 | S197 H201 | S197-D199 PolarHBondContact O-N 3.46Å; D199-H201 PolarHBondContact O-N 3.29Å | ||
| 200 | D | 39.9 | Very low | 40 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 60% | 0.599 | 76% | 0.762 | S | S | * | * | trans | -84.8 | 63.8 | -179.9 | -173.1 | 47.9 | 0 | 0 | 0 | 109.1 | ||||
| 201 | H | 40.6 | Very low | 38.9 | Very low | 148 Ų | 148 | 145 Ų | 145 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | -123.4 | 127.2 | 163.1 | -63.5 | -77.9 | 0 | 0 | 0 | 105.3 | D199 | D199-H201 PolarHBondContact O-N 3.29Š| ||
| 202 | D | 36.1 | Very low | 37.6 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 102.6 | 34.6 | 173.5 | -51.3 | -22.9 | 0 | 0 | 0 | 120.1 | F204 | D202-F204 VanDerWaalsContact C-N 3.3Å; D202-F204 PolarHBondContact O-N 3.33Å | ||
| 203 | L | 41.8 | Very low | 37.1 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 24.3 | 163.5 | -75.6 | 178.8 | 0 | 0 | 0 | 115.1 | ||
| 204 | F | 38.8 | Very low | 36.9 | Very low | 198 Ų | 198 | 147.7 Ų | 147.7 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 13.6 | 172.6 | -62.4 | -71.7 | 0 | 0 | 0 | 114.5 | D202 L206 | D202-F204 VanDerWaalsContact C-N 3.3Å; D202-F204 PolarHBondContact O-N 3.33Å; F204-L206 VanDerWaalsContact C-N 3.26Å; F204-L206 PolarHBondContact O-N 2.82Å |
| 205 | V | 32.8 | Very low | 36.4 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | -82.8 | 78.1 | 167.2 | -172 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 206 | L | 34.5 | Very low | 36.5 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -69 | 132.8 | 160.7 | -85.3 | 143.7 | 0 | 0 | 0 | 108 | F204 Y208 | F204-L206 VanDerWaalsContact C-N 3.26Å; F204-L206 PolarHBondContact O-N 2.82Å; L206-Y208 PolarHBondContact O-N 2.95Å | ||
| 207 | P | 36.4 | Very low | 37 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -68 | 112.3 | 176.6 | 26.9 | -30.4 | 0 | 0 | 0 | 108.4 | S209 | P207-S209 VanDerWaalsContact C-N 3.3Å; P207-S209 PolarHBondContact O-N 2.94Å | ||
| 208 | Y | 34.2 | Very low | 37.1 | Very low | 235 Ų | 235 | 140.5 Ų | 140.5 | 92% | 0.922 | 77% | 0.771 | S | S | * | * | trans | -58.7 | 93 | 169.9 | -102.6 | -99.6 | 0 | 0 | 0 | 108.8 | L206 V210 | L206-Y208 PolarHBondContact O-N 2.95Å; Y208-V210 PolarHBondContact O-N 3.36Å | ||
| 209 | S | 33.1 | Very low | 37.4 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -81.3 | 109.4 | 164.7 | -168.5 | 0 | 0 | 0 | 0 | 107.9 | P207 | P207-S209 VanDerWaalsContact C-N 3.3Å; P207-S209 PolarHBondContact O-N 2.94Å | ||
| 210 | V | 34.1 | Very low | 38.4 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -21.1 | 130.1 | 158 | -72.6 | 0 | 0 | 0 | 0 | 115.2 | Y208 | Y208-V210 PolarHBondContact O-N 3.36Š| ||
| 211 | G | 29.8 | Very low | 39 | Very low | 69 Ų | 69 | 138.6 Ų | 138.6 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 101.5 | 78.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 212 | T | 30.4 | Very low | 39.7 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | -178.6 | 143.8 | 132 | 23.1 | 0 | 0 | 0 | 0 | 109.5 | S214 | T212-S214 PolarHBondContact O-N 3.03Š| ||
| 213 | P | 35.5 | Very low | 40.7 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -78.5 | 122.3 | -161.7 | 30.8 | -32.2 | 0 | 0 | 0 | 112.1 | F215 | P213-F215 PolarHBondContact O-N 3.07Š| ||
| 214 | S | 39.5 | Very low | 41.4 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | 41.2 | 75.8 | 141.5 | -170.9 | 0 | 0 | 0 | 0 | 117.3 | T212 | T212-S214 PolarHBondContact O-N 3.03Š| ||
| 215 | F | 35.9 | Very low | 42.2 | Very low | 189 Ų | 189 | 125.9 Ų | 125.9 | 83% | 0.829 | 72% | 0.722 | S | S | * | * | trans | -151.7 | 63 | 156.9 | -113.7 | -77.9 | 0 | 0 | 0 | 110.8 | P213 | P213-F215 PolarHBondContact O-N 3.07Š| ||
| 216 | S | 39.8 | Very low | 43.4 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | trans | -169.7 | 20.8 | 165.3 | 54.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 217 | A | 46.4 | Very low | 44.4 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -79.6 | -3.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 218 | F | 39.6 | Very low | 45.3 | Very low | 163 Ų | 163 | 125.9 Ų | 125.9 | 72% | 0.715 | 70% | 0.695 | S | S | * | * | trans | -86.5 | 109.8 | 168.6 | -60.3 | -79.5 | 0 | 0 | 0 | 107.8 | ||||
| 219 | E | 50.8 | Low | 46.1 | Very low | 157 Ų | 157 | 118.9 Ų | 118.9 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 175.5 | -5 | 141.2 | -82.2 | -126.5 | 148.8 | 0 | 0 | 113.4 | ||
| 220 | D | 56.1 | Low | 47.4 | Very low | 153 Ų | 153 | 121 Ų | 121 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -84 | -37.8 | 169.5 | -80.3 | -35.2 | 0 | 0 | 0 | 112.6 | ||
| 221 | D | 53.4 | Low | 48.7 | Very low | 123 Ų | 123 | 119.6 Ų | 119.6 | 66% | 0.658 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.3 | -36 | 177.7 | -86.3 | -37.2 | 0 | 0 | 0 | 113.1 | L223 S224 N225 | D221-L223 VanDerWaalsContact C-N 3.27Å; D221-L223 PolarHBondContact O-N 3.11Å; D221-S224 PolarHBondContact O-N 3.14Å; D221-S224 VanDerWaalsContact O-N 3.13Å; D221-S224 PolarHBondContact O-OG 2.96Å; D221-N225 PolarHBondContact O-N 3.4Å; D221-N225 PolarHBondContact O-ND2 3.39Å |
| 222 | D | 54.7 | Low | 50.2 | Low | 111 Ų | 111 | 122.7 Ų | 122.7 | 59% | 0.594 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.9 | -30.3 | -177.2 | -148.2 | 19.4 | 0 | 0 | 0 | 112 | N225 W226 | D222-N225 PolarHBondContact O-N 3.1Å; D222-W226 PolarHBondContact O-N 3.13Å; D222-W226 VanDerWaalsContact O-N 3.07Å |
| 223 | L | 56.2 | Low | 51.8 | Low | 116 Ų | 116 | 119 Ų | 119 | 61% | 0.607 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.5 | -30.8 | 176.1 | -154.9 | 76.4 | 0 | 0 | 0 | 112.4 | D221 W226 | D221-L223 VanDerWaalsContact C-N 3.27Å; D221-L223 PolarHBondContact O-N 3.11Å; L223-W226 HydrophobicContact CD1-CE3 4.2Å |
| 224 | S | 58.1 | Low | 52.9 | Low | 60 Ų | 60 | 119 Ų | 119 | 42% | 0.42 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -73 | -30 | 173.1 | 80.1 | 0 | 0 | 0 | 0 | 112.1 | D221 T228 | D221-S224 PolarHBondContact O-N 3.14Å; D221-S224 VanDerWaalsContact O-N 3.13Å; D221-S224 PolarHBondContact O-OG 2.96Å; S224-T228 PolarHBondContact O-OG1 3.15Å |
| 225 | N | 54.6 | Low | 53.7 | Low | 69 Ų | 69 | 118.6 Ų | 118.6 | 37% | 0.369 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -80.2 | -32.2 | 178.1 | -68.2 | -23.7 | 0 | 0 | 0 | 113.6 | D221 D222 F227 T228 D229 | D221-N225 PolarHBondContact O-N 3.4Å; D221-N225 PolarHBondContact O-ND2 3.39Å; D222-N225 PolarHBondContact O-N 3.1Å; N225-F227 PolarHBondContact O-N 3.42Å; N225-T228 PolarHBondContact O-N 3.44Å; N225-D229 PolarHBondContact O-N 3.28Å |
| 226 | W | 58.2 | Low | 54.6 | Low | 177 Ų | 177 | 113.9 Ų | 113.9 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -55.9 | -47.5 | 178.8 | 171.6 | 14.2 | 0 | 0 | 0 | 112.4 | D222 L223 T228 | D222-W226 PolarHBondContact O-N 3.13Å; D222-W226 VanDerWaalsContact O-N 3.07Å; L223-W226 HydrophobicContact CD1-CE3 4.2Å; W226-T228 VanDerWaalsContact C-N 3.33Å; W226-T228 PolarHBondContact O-N 3.35Å |
| 227 | F | 55.5 | Low | 55.5 | Low | 131 Ų | 131 | 114.9 Ų | 114.9 | 58% | 0.575 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71 | -31.3 | -178.4 | -115.5 | -84.3 | 0 | 0 | 0 | 113.1 | N225 L231 | N225-F227 PolarHBondContact O-N 3.42Å; F227-L231 HydrophobicContact CD1-CD1 3.96Å; F227-L231 HydrophobicContact CE1-CD1 3.98Å |
| 228 | T | 54.5 | Low | 55.7 | Low | 73 Ų | 73 | 115.4 Ų | 115.4 | 45% | 0.448 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -86.5 | -34.1 | -169.2 | -40.1 | 0 | 0 | 0 | 0 | 111.6 | S224 N225 W226 F232 | S224-T228 PolarHBondContact O-OG1 3.15Å; N225-T228 PolarHBondContact O-N 3.44Å; W226-T228 VanDerWaalsContact C-N 3.33Å; W226-T228 PolarHBondContact O-N 3.35Å; T228-F232 HydrophobicContact CG2-CD2 4.35Å; T228-F232 VanDerWaalsContact O-CD2 3.23Å; T228-F232 WeakPolarHBondContact O-CD2 3.25Å |
| 229 | D | 52.2 | Low | 56.2 | Low | 88 Ų | 88 | 113 Ų | 113 | 47% | 0.471 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -85.8 | -46 | -169.3 | -64.5 | -16.6 | 0 | 0 | 0 | 112.4 | N225 S233 | N225-D229 PolarHBondContact O-N 3.28Å; D229-S233 WeakPolarHBondContact O-CB 3.41Å; D229-S233 PolarHBondContact O-N 3.15Å; D229-S233 PolarHBondContact O-OG 3.11Å |
| 230 | K | 60.6 | Low | 56.2 | Low | 151 Ų | 151 | 113.2 Ų | 113.2 | 66% | 0.657 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -76.6 | -39.7 | -173.1 | -69.3 | -174.2 | -179.4 | -178 | 0 | 114.4 | N234 | K230-N234 WeakPolarHBondContact O-CB 3.38Å; K230-N234 PolarHBondContact O-N 3.43Å; K230-N234 VanDerWaalsContact O-N 3.1Å |
| 231 | L | 61 | Low | 56 | Low | 108 Ų | 108 | 112.1 Ų | 112.1 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.5 | -45.5 | -178.1 | -95.1 | 163.5 | 0 | 0 | 0 | 111.3 | F227 L235 | F227-L231 HydrophobicContact CD1-CD1 3.96Å; F227-L231 HydrophobicContact CE1-CD1 3.98Å; L231-L235 WeakPolarHBondContact O-CB 3.46Å; L231-L235 PolarHBondContact O-N 3.25Å; L231-L235 VanDerWaalsContact O-N 3.08Å |
| 232 | F | 62.1 | Low | 55.8 | Low | 133 Ų | 133 | 109.3 Ų | 109.3 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -76.5 | -32.4 | -179.9 | -68.6 | -81.5 | 0 | 0 | 0 | 112.4 | T228 N234 L235 S236 | T228-F232 HydrophobicContact CG2-CD2 4.35Å; T228-F232 VanDerWaalsContact O-CD2 3.23Å; T228-F232 WeakPolarHBondContact O-CD2 3.25Å; F232-N234 VanDerWaalsContact C-N 3.35Å; F232-N234 PolarHBondContact O-N 3.47Å; F232-L235 PolarHBondContact O-N 3.18Å; F232-S236 WeakPolarHBondContact O-CB 3.31Å; F232-S236 PolarHBondContact O-N 3.08Å |
| 233 | S | 62.2 | Low | 55.6 | Low | 63 Ų | 63 | 108.6 Ų | 108.6 | 44% | 0.441 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.7 | -45 | 170.6 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | D229 L235 S236 | D229-S233 WeakPolarHBondContact O-CB 3.41Å; D229-S233 PolarHBondContact O-N 3.15Å; D229-S233 PolarHBondContact O-OG 3.11Å; S233-L235 VanDerWaalsContact C-N 3.32Å; S233-L235 PolarHBondContact O-N 2.83Å; S233-S236 PolarHBondContact O-N 2.93Å; S233-S236 PolarHBondContact O-OG 3.42Å |
| 234 | N | 60.4 | Low | 55.6 | Low | 118 Ų | 118 | 107.4 Ų | 107.4 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.2 | -34.5 | 177.4 | -75.1 | 0.5 | 0 | 0 | 0 | 112.1 | K230 F232 S236 Q237 | K230-N234 WeakPolarHBondContact O-CB 3.38Å; K230-N234 PolarHBondContact O-N 3.43Å; K230-N234 VanDerWaalsContact O-N 3.1Å; F232-N234 VanDerWaalsContact C-N 3.35Å; F232-N234 PolarHBondContact O-N 3.47Å; N234-S236 VanDerWaalsContact C-N 3.31Å; N234-Q237 WeakPolarHBondContact O-CG 3.46Å |
| 235 | L | 54.9 | Low | 55.7 | Low | 98 Ų | 98 | 113.5 Ų | 113.5 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.4 | -26.3 | 176.6 | -168.3 | 62.1 | 0 | 0 | 0 | 112.7 | L231 F232 S233 Q237 | L231-L235 WeakPolarHBondContact O-CB 3.46Å; L231-L235 PolarHBondContact O-N 3.25Å; L231-L235 VanDerWaalsContact O-N 3.08Å; F232-L235 PolarHBondContact O-N 3.18Å; S233-L235 VanDerWaalsContact C-N 3.32Å; S233-L235 PolarHBondContact O-N 2.83Å; L235-Q237 VanDerWaalsContact C-N 3.26Å; L235-Q237 PolarHBondContact O-N 3.44Å |
| 236 | S | 55.3 | Low | 55.8 | Low | 89 Ų | 89 | 117.8 Ų | 117.8 | 62% | 0.622 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -4.1 | 178.8 | 74.1 | 0 | 0 | 0 | 0 | 114.6 | F232 S233 N234 | F232-S236 WeakPolarHBondContact O-CB 3.31Å; F232-S236 PolarHBondContact O-N 3.08Å; S233-S236 PolarHBondContact O-N 2.93Å; S233-S236 PolarHBondContact O-OG 3.42Å; N234-S236 VanDerWaalsContact C-N 3.31Å |
| 237 | Q | 59.3 | Low | 55.5 | Low | 131 Ų | 131 | 111.2 Ų | 111.2 | 61% | 0.612 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -59.4 | 129.7 | 170.3 | -67.4 | -67.8 | -38.1 | 0 | 0 | 109 | N234 L235 Y239 | N234-Q237 WeakPolarHBondContact O-CG 3.46Å; L235-Q237 VanDerWaalsContact C-N 3.26Å; L235-Q237 PolarHBondContact O-N 3.44Å; Q237-Y239 PolarHBondContact O-N 3.08Å |
| 238 | P | 49.3 | Very low | 55.6 | Low | 112 Ų | 112 | 109.6 Ų | 109.6 | 73% | 0.727 | 58% | 0.581 | S | S | * | * | trans | -58.4 | 111 | -174.4 | 20.1 | -30.1 | 0 | 0 | 0 | 110.4 | L240 | P238-L240 PolarHBondContact O-N 3.15Å; P238-L240 VanDerWaalsContact O-N 3.08Å | ||
| 239 | Y | 50.4 | Low | 55.9 | Low | 112 Ų | 112 | 109.2 Ų | 109.2 | 44% | 0.439 | 59% | 0.591 | S | S | . | * | trans | -67.4 | 101.6 | 176.7 | -168.4 | -85.6 | 0 | 0 | 0 | 108.5 | Q237 F241 | Q237-Y239 PolarHBondContact O-N 3.08Å; Y239-F241 HydrophobicContact CD1-CB 3.77Å; Y239-F241 AromaticContact CD1-CD2 3.52Å; Y239-F241 HydrophobicContact CD1-CD2 3.52Å; Y239-F241 HydrophobicContact CD1-CE2 4.45Å; Y239-F241 HydrophobicContact CD1-CG 4.02Å; Y239-F241 HydrophobicContact CE1-CB 3.82Å; Y239-F241 AromaticContact CE1-CD2 3.09Å; Y239-F241 HydrophobicContact CE1-CD2 3.09Å; Y239-F241 AromaticContact CE1-CE2 3.7Å; Y239-F241 HydrophobicContact CE1-CE2 3.7Å; Y239-F241 AromaticContact CE1-CG 3.64Å; Y239-F241 HydrophobicContact CE1-CG 3.64Å; Y239-F241 PolarHBondContact O-N 3.33Å | ||
| 240 | L | 51.2 | Low | 56.4 | Low | 162 Ų | 162 | 110.2 Ų | 110.2 | 85% | 0.848 | 60% | 0.597 | S | S | * | * | trans | -71.2 | 84.9 | 164.6 | -70.4 | 173.3 | 0 | 0 | 0 | 107.2 | P238 P242 | P238-L240 PolarHBondContact O-N 3.15Å; P238-L240 VanDerWaalsContact O-N 3.08Å; L240-P242 VanDerWaalsContact O-CD 3.25Å; L240-P242 WeakPolarHBondContact O-CD 3.39Å; L240-P242 VanDerWaalsContact O-N 3.14Å | ||
| 241 | F | 51.6 | Low | 56.3 | Low | 129 Ų | 129 | 106.2 Ų | 106.2 | 57% | 0.566 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 119.7 | 170.9 | -148.3 | -81.5 | 0 | 0 | 0 | 106.9 | Y239 N243 M247 | Y239-F241 HydrophobicContact CD1-CB 3.77Å; Y239-F241 AromaticContact CD1-CD2 3.52Å; Y239-F241 HydrophobicContact CD1-CD2 3.52Å; Y239-F241 HydrophobicContact CD1-CE2 4.45Å; Y239-F241 HydrophobicContact CD1-CG 4.02Å; Y239-F241 HydrophobicContact CE1-CB 3.82Å; Y239-F241 AromaticContact CE1-CD2 3.09Å; Y239-F241 HydrophobicContact CE1-CD2 3.09Å; Y239-F241 AromaticContact CE1-CE2 3.7Å; Y239-F241 HydrophobicContact CE1-CE2 3.7Å; Y239-F241 AromaticContact CE1-CG 3.64Å; Y239-F241 HydrophobicContact CE1-CG 3.64Å; Y239-F241 PolarHBondContact O-N 3.33Å; F241-N243 PolarHBondContact O-N 3.03Å; F241-N243 VanDerWaalsContact O-N 3.13Å; F241-M247 HydrophobicContact CD1-CE 4.23Å; F241-M247 HydrophobicContact CD1-SD 4.1Å; F241-M247 HydrophobicContact CE1-CE 3.9Å; F241-M247 HydrophobicContact CE1-SD 3.66Å |
| 242 | P | 49.2 | Very low | 56.1 | Low | 64 Ų | 64 | 107.1 Ų | 107.1 | 42% | 0.416 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -52.7 | 126.3 | 172.4 | -23.7 | 30.6 | 0 | 0 | 0 | 108.1 | L240 M247 | L240-P242 VanDerWaalsContact O-CD 3.25Å; L240-P242 WeakPolarHBondContact O-CD 3.39Å; L240-P242 VanDerWaalsContact O-N 3.14Å; P242-M247 HydrophobicContact CB-CE 3.76Å; P242-M247 HydrophobicContact CB-CG 4.29Å; P242-M247 HydrophobicContact CB-SD 4.41Å; P242-M247 HydrophobicContact CG-CE 3.76Å; P242-M247 VanDerWaalsContact O-SD 3.32Å |
| 243 | N | 51.4 | Low | 55.8 | Low | 96 Ų | 96 | 103.6 Ų | 103.6 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -50.5 | 126.5 | -172.8 | -175.1 | -10.4 | 0 | 0 | 0 | 109 | F241 K245 E246 | F241-N243 PolarHBondContact O-N 3.03Å; F241-N243 VanDerWaalsContact O-N 3.13Å; N243-K245 PolarHBondContact O-N 3.33Å; N243-E246 PolarHBondContact O-N 3.43Å |
| 244 | P | 55.9 | Low | 55.6 | Low | 92 Ų | 92 | 107.7 Ų | 107.7 | 60% | 0.597 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -54 | -20.2 | -173.8 | 17.3 | -32.7 | 0 | 0 | 0 | 114.2 | E246 M247 | P244-E246 VanDerWaalsContact C-N 3.26Å; P244-E246 PolarHBondContact O-N 3.44Å; P244-M247 PolarHBondContact O-N 2.97Å |
| 245 | K | 59.3 | Low | 55.4 | Low | 187 Ų | 187 | 107.6 Ų | 107.6 | 81% | 0.813 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -67.7 | -20.8 | 174.6 | -159.4 | 167.2 | 177.8 | 175.2 | 0 | 114.1 | N243 | N243-K245 PolarHBondContact O-N 3.33Š|
| 246 | E | 57.4 | Low | 55.2 | Low | 160 Ų | 160 | 108.1 Ų | 108.1 | 75% | 0.748 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -92 | -13.2 | 173.4 | -61.7 | -178 | -159.5 | 0 | 0 | 112.6 | N243 P244 | N243-E246 PolarHBondContact O-N 3.43Å; P244-E246 VanDerWaalsContact C-N 3.26Å; P244-E246 PolarHBondContact O-N 3.44Å |
| 247 | M | 52.8 | Low | 55.1 | Low | 38 Ų | 38 | 105.6 Ų | 105.6 | 19% | 0.187 | 59% | 0.592 | C | S | . | * | trans | -93.7 | -2.2 | -172.2 | -62 | -174.8 | 131 | 0 | 0 | 114.7 | F241 P242 P244 G249 I253 | F241-M247 HydrophobicContact CD1-CE 4.23Å; F241-M247 HydrophobicContact CD1-SD 4.1Å; F241-M247 HydrophobicContact CE1-CE 3.9Å; F241-M247 HydrophobicContact CE1-SD 3.66Å; P242-M247 HydrophobicContact CB-CE 3.76Å; P242-M247 HydrophobicContact CB-CG 4.29Å; P242-M247 HydrophobicContact CB-SD 4.41Å; P242-M247 HydrophobicContact CG-CE 3.76Å; P242-M247 VanDerWaalsContact O-SD 3.32Å; P244-M247 PolarHBondContact O-N 2.97Å; M247-G249 PolarHBondContact O-N 3.42Å; M247-I253 HydrophobicContact CB-CD1 4.12Å; M247-I253 HydrophobicContact CB-CG2 3.8Å; M247-I253 HydrophobicContact CE-CG2 3.08Å; M247-I253 HydrophobicContact CG-CD1 4.42Å; M247-I253 HydrophobicContact CG-CG2 3.59Å; M247-I253 HydrophobicContact SD-CG2 3.61Å | ||
| 248 | A | 57.1 | Low | 54.9 | Low | 98 Ų | 98 | 104.2 Ų | 104.2 | 81% | 0.81 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 12.3 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 249 | G | 61.1 | Low | 55.3 | Low | 64 Ų | 64 | 104 Ų | 104 | 66% | 0.66 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | -26.9 | -173 | 0 | 0 | 0 | 0 | 0 | 117.1 | M247 | M247-G249 PolarHBondContact O-N 3.42Š|
| 250 | N | 62.6 | Low | 55.5 | Low | 109 Ų | 109 | 103.6 Ų | 103.6 | 58% | 0.583 | 59% | 0.587 | S | S | * | * | trans | -126.8 | 115.6 | -168 | -60.4 | -18.1 | 0 | 0 | 0 | 110.7 | D252 I253 | N250-D252 PolarHBondContact O-N 3.13Å; N250-D252 VanDerWaalsContact O-N 3.12Å; N250-I253 HydrophobicContact CB-CD1 3.94Å; N250-I253 HydrophobicContact CB-CG1 4.06Å; N250-I253 VanDerWaalsContact O-CB 3.22Å; N250-I253 WeakPolarHBondContact O-CB 3.44Å; N250-I253 VanDerWaalsContact O-CG1 3.26Å; N250-I253 WeakPolarHBondContact O-CG1 3.44Å; N250-I253 PolarHBondContact O-N 3.08Å | ||
| 251 | A | 57.6 | Low | 55.4 | Low | 68 Ų | 68 | 102.9 Ų | 102.9 | 56% | 0.562 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -61 | -19.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I253 I254 | A251-I253 PolarHBondContact O-N 2.89Å; A251-I253 VanDerWaalsContact O-N 3.14Å; A251-I254 PolarHBondContact O-N 2.93Å; A251-I254 VanDerWaalsContact O-N 3.11Å |
| 252 | D | 56.9 | Low | 55.4 | Low | 127 Ų | 127 | 103.2 Ų | 103.2 | 68% | 0.679 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -60.6 | -17.8 | 171.5 | -70.1 | -22.8 | 0 | 0 | 0 | 113 | N250 I254 Q255 | N250-D252 PolarHBondContact O-N 3.13Å; N250-D252 VanDerWaalsContact O-N 3.12Å; D252-I254 VanDerWaalsContact C-N 3.29Å; D252-I254 PolarHBondContact O-N 3.47Å; D252-Q255 WeakPolarHBondContact O-CB 3.45Å; D252-Q255 PolarHBondContact O-N 3.24Å |
| 253 | I | 56.3 | Low | 55.3 | Low | 59 Ų | 59 | 103.5 Ų | 103.5 | 30% | 0.303 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -76 | -17.9 | 178 | -60.6 | 175.2 | 0 | 0 | 0 | 112.3 | M247 N250 A251 Q255 | M247-I253 HydrophobicContact CB-CD1 4.12Å; M247-I253 HydrophobicContact CB-CG2 3.8Å; M247-I253 HydrophobicContact CE-CG2 3.08Å; M247-I253 HydrophobicContact CG-CD1 4.42Å; M247-I253 HydrophobicContact CG-CG2 3.59Å; M247-I253 HydrophobicContact SD-CG2 3.61Å; N250-I253 HydrophobicContact CB-CD1 3.94Å; N250-I253 HydrophobicContact CB-CG1 4.06Å; N250-I253 VanDerWaalsContact O-CB 3.22Å; N250-I253 WeakPolarHBondContact O-CB 3.44Å; N250-I253 VanDerWaalsContact O-CG1 3.26Å; N250-I253 WeakPolarHBondContact O-CG1 3.44Å; N250-I253 PolarHBondContact O-N 3.08Å; A251-I253 PolarHBondContact O-N 2.89Å; A251-I253 VanDerWaalsContact O-N 3.14Å; I253-Q255 PolarHBondContact O-N 2.91Å |
| 254 | I | 56.9 | Low | 55.8 | Low | 148 Ų | 148 | 102.2 Ų | 102.2 | 76% | 0.759 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -79.2 | -10.5 | 175.4 | -56.2 | 173.1 | 0 | 0 | 0 | 111 | A251 D252 | A251-I254 PolarHBondContact O-N 2.93Å; A251-I254 VanDerWaalsContact O-N 3.11Å; D252-I254 VanDerWaalsContact C-N 3.29Å; D252-I254 PolarHBondContact O-N 3.47Å |
| 255 | Q | 56.2 | Low | 55.9 | Low | 117 Ų | 117 | 103.8 Ų | 103.8 | 55% | 0.547 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -68.6 | 125.2 | 163.9 | -61.5 | -170 | 0 | 0 | 0 | 107.7 | D252 I253 G257 | D252-Q255 WeakPolarHBondContact O-CB 3.45Å; D252-Q255 PolarHBondContact O-N 3.24Å; I253-Q255 PolarHBondContact O-N 2.91Å; Q255-G257 PolarHBondContact O-N 3.27Å |
| 256 | P | 50.8 | Low | 56 | Low | 108 Ų | 108 | 100.4 Ų | 100.4 | 70% | 0.701 | 58% | 0.577 | S | S | * | * | trans | -54.1 | 124 | 173.1 | 24.1 | -32.4 | 0 | 0 | 0 | 107 | L258 | P256-L258 PolarHBondContact O-N 3.4Š| ||
| 257 | G | 52.8 | Low | 56 | Low | 36 Ų | 36 | 98.3 Ų | 98.3 | 37% | 0.371 | 57% | 0.567 | S | S | . | * | trans | -51.7 | 115 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110 | Q255 V259 | Q255-G257 PolarHBondContact O-N 3.27Å; G257-V259 PolarHBondContact O-N 2.79Å | ||
| 258 | L | 55.4 | Low | 56.2 | Low | 102 Ų | 102 | 99.3 Ų | 99.3 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -62.3 | 2 | -178.6 | -87.7 | 90.8 | 0 | 0 | 0 | 113.5 | P256 Q260 L261 Q262 | P256-L258 PolarHBondContact O-N 3.4Å; L258-Q260 PolarHBondContact O-N 3Å; L258-L261 PolarHBondContact O-N 3.25Å; L258-Q262 PolarHBondContact O-N 3.47Å |
| 259 | V | 58.5 | Low | 56.1 | Low | 108 Ų | 108 | 100.4 Ų | 100.4 | 66% | 0.655 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -53.5 | -37.1 | 177.8 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | G257 L261 Q262 | G257-V259 PolarHBondContact O-N 2.79Å; V259-L261 PolarHBondContact O-N 3.05Å; V259-Q262 PolarHBondContact O-N 3.08Å |
| 260 | Q | 53.5 | Low | 56 | Low | 104 Ų | 104 | 105.9 Ų | 105.9 | 49% | 0.486 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -67.1 | -20.5 | 177.5 | -69.6 | -174.5 | -5.3 | 0 | 0 | 114.1 | L258 | L258-Q260 PolarHBondContact O-N 3Š|
| 261 | L | 50.3 | Low | 55.5 | Low | 146 Ų | 146 | 104.7 Ų | 104.7 | 76% | 0.764 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -96.4 | -5.6 | 178.1 | -64.9 | 174.2 | 0 | 0 | 0 | 112.6 | L258 V259 | L258-L261 PolarHBondContact O-N 3.25Å; V259-L261 PolarHBondContact O-N 3.05Å |
| 262 | Q | 51.6 | Low | 55 | Low | 137 Ų | 137 | 107.2 Ų | 107.2 | 64% | 0.64 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -77.3 | 129 | 174.5 | -66.8 | -171 | -0.7 | 0 | 0 | 109.1 | L258 V259 S264 | L258-Q262 PolarHBondContact O-N 3.47Å; V259-Q262 PolarHBondContact O-N 3.08Å; Q262-S264 PolarHBondContact O-N 3.1Å |
| 263 | P | 47.8 | Very low | 54.5 | Low | 69 Ų | 69 | 104.4 Ų | 104.4 | 45% | 0.448 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 138.1 | 174 | 24.5 | -32.4 | 0 | 0 | 0 | 109.1 | E267 I268 | P263-E267 HydrophobicContact CB-CB 4.21Å; P263-E267 HydrophobicContact CB-CG 4.21Å; P263-E267 WeakPolarHBondContact CB-OE2 3.24Å; P263-I268 HydrophobicContact CB-CG1 4.37Å; P263-I268 HydrophobicContact CG-CD1 4.39Å; P263-I268 HydrophobicContact CG-CG1 4.16Å |
| 264 | S | 60.1 | Low | 53.9 | Low | 69 Ų | 69 | 105.8 Ų | 105.8 | 48% | 0.483 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -61 | 149 | -179.7 | 67.5 | 0 | 0 | 0 | 0 | 109.7 | Q262 E266 E267 I268 | Q262-S264 PolarHBondContact O-N 3.1Å; S264-E266 PolarHBondContact O-N 3.47Å; S264-E267 WeakPolarHBondContact O-CA 3.38Å; S264-E267 WeakPolarHBondContact O-CB 3.45Å; S264-E267 PolarHBondContact O-N 3.22Å; S264-E267 PolarHBondContact OG-N 3.26Å; S264-I268 PolarHBondContact O-N 3.45Å; S264-I268 VanDerWaalsContact O-N 3.16Å |
| 265 | L | 59.9 | Low | 53.4 | Low | 125 Ų | 125 | 104.2 Ų | 104.2 | 65% | 0.654 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -51 | -32.7 | 178.4 | -177.6 | 64.7 | 0 | 0 | 0 | 111.9 | I268 M269 | L265-I268 PolarHBondContact O-N 2.77Å; L265-M269 HydrophobicContact CG-CG 4.42Å; L265-M269 HydrophobicContact CG-SD 4.21Å; L265-M269 WeakPolarHBondContact O-CB 3.4Å; L265-M269 VanDerWaalsContact O-CG 3.27Å; L265-M269 WeakPolarHBondContact O-CG 3.46Å; L265-M269 PolarHBondContact O-N 3.42Å |
| 266 | E | 60.5 | Low | 52.8 | Low | 116 Ų | 116 | 104.7 Ų | 104.7 | 54% | 0.542 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.2 | -41 | 175.5 | -164.4 | -170.5 | 153.2 | 0 | 0 | 112.7 | S264 I268 M269 R270 | S264-E266 PolarHBondContact O-N 3.47Å; E266-I268 VanDerWaalsContact C-N 3.34Å; E266-M269 PolarHBondContact O-N 3.44Å; E266-R270 WeakPolarHBondContact O-CG 3.38Å; E266-R270 PolarHBondContact O-N 2.84Å; E266-R270 IonicContact OE1-CZ 2.7Å; E266-R270 IonicContact OE1-NE 3.6Å; E266-R270 PolarHBondContact OE1-NE 3.47Å; E266-R270 IonicContact OE1-NH2 3.48Å; E266-R270 PolarHBondContact OE1-NH2 3.19Å |
| 267 | E | 57.6 | Low | 52.5 | Low | 116 Ų | 116 | 101 Ų | 101 | 54% | 0.542 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.5 | -42.3 | 174.8 | -172.1 | 173.7 | -172.1 | 0 | 0 | 110.8 | P263 S264 R270 T271 | P263-E267 HydrophobicContact CB-CB 4.21Å; P263-E267 HydrophobicContact CB-CG 4.21Å; P263-E267 WeakPolarHBondContact CB-OE2 3.24Å; S264-E267 WeakPolarHBondContact O-CA 3.38Å; S264-E267 WeakPolarHBondContact O-CB 3.45Å; S264-E267 PolarHBondContact O-N 3.22Å; S264-E267 PolarHBondContact OG-N 3.26Å; E267-R270 PolarHBondContact O-N 3.13Å; E267-T271 PolarHBondContact O-N 3.32Å; E267-T271 VanDerWaalsContact O-N 3.08Å; E267-T271 PolarHBondContact O-OG1 3.2Å; E267-T271 VanDerWaalsContact O-OG1 3.08Å |
| 268 | I | 56.6 | Low | 52 | Low | 60 Ų | 60 | 107.2 Ų | 107.2 | 31% | 0.308 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.3 | -43.7 | 175.7 | -48 | 179.1 | 0 | 0 | 0 | 110.5 | P263 S264 L265 E266 R270 T271 F272 | P263-I268 HydrophobicContact CB-CG1 4.37Å; P263-I268 HydrophobicContact CG-CD1 4.39Å; P263-I268 HydrophobicContact CG-CG1 4.16Å; S264-I268 PolarHBondContact O-N 3.45Å; S264-I268 VanDerWaalsContact O-N 3.16Å; L265-I268 PolarHBondContact O-N 2.77Å; E266-I268 VanDerWaalsContact C-N 3.34Å; I268-R270 VanDerWaalsContact C-N 3.34Å; I268-R270 PolarHBondContact O-N 3.07Å; I268-T271 VanDerWaalsContact C-OG1 3.28Å; I268-T271 VanDerWaalsContact CA-OG1 3.28Å; I268-T271 WeakPolarHBondContact CA-OG1 3.09Å; I268-T271 PolarHBondContact O-N 3.42Å; I268-T271 PolarHBondContact O-OG1 3.27Å; I268-F272 HydrophobicContact CB-CE2 4.3Å; I268-F272 HydrophobicContact CG2-CD2 3.83Å; I268-F272 HydrophobicContact CG2-CE2 3.19Å; I268-F272 HydrophobicContact CG2-CZ 3.8Å; I268-F272 WeakPolarHBondContact O-CD2 3.35Å; I268-F272 WeakPolarHBondContact O-CG 3.2Å; I268-F272 PolarHBondContact O-N 3.35Å |
| 269 | M | 56 | Low | 51.3 | Low | 121 Ų | 121 | 108 Ų | 108 | 60% | 0.596 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.9 | -36.4 | 175.7 | -74.5 | -179.1 | 69.7 | 0 | 0 | 112.9 | L265 E266 F272 G273 | L265-M269 HydrophobicContact CG-CG 4.42Å; L265-M269 HydrophobicContact CG-SD 4.21Å; L265-M269 WeakPolarHBondContact O-CB 3.4Å; L265-M269 VanDerWaalsContact O-CG 3.27Å; L265-M269 WeakPolarHBondContact O-CG 3.46Å; L265-M269 PolarHBondContact O-N 3.42Å; E266-M269 PolarHBondContact O-N 3.44Å; M269-F272 PolarHBondContact O-N 3.31Å; M269-G273 PolarHBondContact O-N 3.07Å |
| 270 | R | 57.5 | Low | 50.5 | Low | 178 Ų | 178 | 107.2 Ų | 107.2 | 67% | 0.672 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.6 | -39.5 | 172.6 | -75.5 | -175.6 | -169.7 | -152.5 | 5.7 | 112 | E266 E267 I268 F272 G273 | E266-R270 WeakPolarHBondContact O-CG 3.38Å; E266-R270 PolarHBondContact O-N 2.84Å; E266-R270 IonicContact OE1-CZ 2.7Å; E266-R270 IonicContact OE1-NE 3.6Å; E266-R270 PolarHBondContact OE1-NE 3.47Å; E266-R270 IonicContact OE1-NH2 3.48Å; E266-R270 PolarHBondContact OE1-NH2 3.19Å; E267-R270 PolarHBondContact O-N 3.13Å; I268-R270 VanDerWaalsContact C-N 3.34Å; I268-R270 PolarHBondContact O-N 3.07Å; R270-F272 VanDerWaalsContact C-N 3.34Å; R270-G273 PolarHBondContact O-N 3.42Å |
| 271 | T | 51.9 | Low | 49.6 | Very low | 85 Ų | 85 | 110.7 Ų | 110.7 | 52% | 0.521 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.8 | -37.1 | 171.1 | 27.9 | 0 | 0 | 0 | 0 | 112.8 | E267 I268 G273 T274 | E267-T271 PolarHBondContact O-N 3.32Å; E267-T271 VanDerWaalsContact O-N 3.08Å; E267-T271 PolarHBondContact O-OG1 3.2Å; E267-T271 VanDerWaalsContact O-OG1 3.08Å; I268-T271 VanDerWaalsContact C-OG1 3.28Å; I268-T271 VanDerWaalsContact CA-OG1 3.28Å; I268-T271 WeakPolarHBondContact CA-OG1 3.09Å; I268-T271 PolarHBondContact O-N 3.42Å; I268-T271 PolarHBondContact O-OG1 3.27Å; T271-G273 VanDerWaalsContact C-N 3.29Å; T271-G273 PolarHBondContact O-N 2.84Å; T271-T274 PolarHBondContact O-N 3.41Å; T271-T274 PolarHBondContact O-OG1 3.5Å |
| 272 | F | 47.3 | Very low | 48.8 | Very low | 120 Ų | 120 | 112.2 Ų | 112.2 | 53% | 0.526 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.1 | -21 | 176.4 | -70.1 | -56.6 | 0 | 0 | 0 | 114.2 | I268 M269 R270 T274 | I268-F272 HydrophobicContact CB-CE2 4.3Å; I268-F272 HydrophobicContact CG2-CD2 3.83Å; I268-F272 HydrophobicContact CG2-CE2 3.19Å; I268-F272 HydrophobicContact CG2-CZ 3.8Å; I268-F272 WeakPolarHBondContact O-CD2 3.35Å; I268-F272 WeakPolarHBondContact O-CG 3.2Å; I268-F272 PolarHBondContact O-N 3.35Å; M269-F272 PolarHBondContact O-N 3.31Å; R270-F272 VanDerWaalsContact C-N 3.34Å; F272-T274 PolarHBondContact O-N 3.05Å |
| 273 | G | 46.2 | Very low | 48.2 | Very low | 68 Ų | 68 | 115.2 Ų | 115.2 | 70% | 0.701 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -17.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M269 R270 T271 | M269-G273 PolarHBondContact O-N 3.07Å; R270-G273 PolarHBondContact O-N 3.42Å; T271-G273 VanDerWaalsContact C-N 3.29Å; T271-G273 PolarHBondContact O-N 2.84Å |
| 274 | T | 44.5 | Very low | 47.8 | Very low | 88 Ų | 88 | 115.9 Ų | 115.9 | 54% | 0.54 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -88.6 | 115.9 | 172.3 | 66.3 | 0 | 0 | 0 | 0 | 109.2 | T271 F272 D276 S277 | T271-T274 PolarHBondContact O-N 3.41Å; T271-T274 PolarHBondContact O-OG1 3.5Å; F272-T274 PolarHBondContact O-N 3.05Å; T274-D276 PolarHBondContact O-N 3.27Å; T274-S277 PolarHBondContact O-N 3.37Å |
| 275 | S | 45.5 | Very low | 46.6 | Very low | 115 Ų | 115 | 116.4 Ų | 116.4 | 80% | 0.804 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -4.8 | -174.8 | -127.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 276 | D | 44.7 | Very low | 45.1 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 68% | 0.679 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -9.3 | -179.5 | -78.4 | -24.9 | 0 | 0 | 0 | 115 | T274 F278 Q279 | T274-D276 PolarHBondContact O-N 3.27Å; D276-F278 PolarHBondContact O-N 3.11Å; D276-Q279 PolarHBondContact O-N 3.32Å |
| 277 | S | 44.2 | Very low | 43.6 | Very low | 31 Ų | 31 | 125.6 Ų | 125.6 | 22% | 0.217 | 60% | 0.6 | C | S | . | * | H | α-helix | trans | -71 | -29.4 | -177.8 | 73.7 | 0 | 0 | 0 | 0 | 114.5 | T274 Q279 V280 W281 | T274-S277 PolarHBondContact O-N 3.37Å; S277-Q279 PolarHBondContact O-N 3.48Å; S277-V280 PolarHBondContact O-N 3.08Å; S277-V280 VanDerWaalsContact O-N 3.16Å; S277-W281 PolarHBondContact O-N 3.45Å |
| 278 | F | 42.7 | Very low | 42.4 | Very low | 166 Ų | 166 | 125 Ų | 125 | 73% | 0.728 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.1 | -23.9 | 178.7 | -97.9 | -86.4 | 0 | 0 | 0 | 113.1 | D276 | D276-F278 PolarHBondContact O-N 3.11Å |
| 279 | Q | 41 | Very low | 41.2 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 56% | 0.556 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -80.8 | -30.8 | 176.5 | -66.6 | -73.9 | 25.4 | 0 | 0 | 112.4 | D276 S277 R283 | D276-Q279 PolarHBondContact O-N 3.32Å; S277-Q279 PolarHBondContact O-N 3.48Å; Q279-R283 PolarHBondContact O-N 2.9Å |
| 280 | V | 41.9 | Very low | 40 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 56% | 0.558 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.3 | -43.9 | -179.7 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | S277 R282 R283 V284 | S277-V280 PolarHBondContact O-N 3.08Å; S277-V280 VanDerWaalsContact O-N 3.16Å; V280-R282 PolarHBondContact O-N 2.99Å; V280-R283 WeakPolarHBondContact O-CB 3.46Å; V280-R283 PolarHBondContact O-N 2.94Å; V280-R283 VanDerWaalsContact O-N 3.11Å; V280-V284 WeakPolarHBondContact O-CG2 3.39Å; V280-V284 PolarHBondContact O-N 2.53Å |
| 281 | W | 34.2 | Very low | 38.5 | Very low | 177 Ų | 177 | 122.5 Ų | 122.5 | 67% | 0.67 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.4 | -38.4 | -178.8 | -121.1 | 86.5 | 0 | 0 | 0 | 112.9 | S277 R283 V284 I285 | S277-W281 PolarHBondContact O-N 3.45Å; W281-R283 VanDerWaalsContact C-N 3.27Å; W281-R283 PolarHBondContact O-N 2.71Å; W281-V284 PolarHBondContact O-N 2.9Å; W281-I285 HydrophobicContact CD2-CD1 4.49Å; W281-I285 HydrophobicContact CE3-CD1 3.25Å; W281-I285 HydrophobicContact CE3-CG1 3.49Å; W281-I285 VanDerWaalsContact CE3-CG1 3.49Å; W281-I285 HydrophobicContact CZ3-CD1 3.45Å; W281-I285 VanDerWaalsContact CZ3-CD1 3.45Å; W281-I285 HydrophobicContact CZ3-CG1 3.51Å; W281-I285 WeakPolarHBondContact O-CG1 3.27Å; W281-I285 PolarHBondContact O-N 2.85Å |
| 282 | R | 32.6 | Very low | 37.4 | Very low | 177 Ų | 177 | 129.2 Ų | 129.2 | 67% | 0.668 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -59 | -40.3 | 171.1 | -102.5 | -162.2 | -96.6 | -140 | -2.4 | 111.8 | V280 V284 W286 | V280-R282 PolarHBondContact O-N 2.99Å; R282-V284 PolarHBondContact O-N 3.36Å; R282-W286 WeakPolarHBondContact O-CB 3.28Å; R282-W286 PolarHBondContact O-N 3.16Å; R282-W286 VanDerWaalsContact O-N 3.08Å |
| 283 | R | 39.1 | Very low | 36.4 | Very low | 201 Ų | 201 | 133.3 Ų | 133.3 | 76% | 0.758 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.9 | -33 | -179.5 | -143.8 | -178 | -80.1 | 176.4 | -5.3 | 112.4 | Q279 V280 W281 R287 | Q279-R283 PolarHBondContact O-N 2.9Å; V280-R283 WeakPolarHBondContact O-CB 3.46Å; V280-R283 PolarHBondContact O-N 2.94Å; V280-R283 VanDerWaalsContact O-N 3.11Å; W281-R283 VanDerWaalsContact C-N 3.27Å; W281-R283 PolarHBondContact O-N 2.71Å; R283-R287 WeakPolarHBondContact O-CB 3.41Å; R283-R287 PolarHBondContact O-N 3.34Å |
| 284 | V | 39.5 | Very low | 35.5 | Very low | 83 Ų | 83 | 135 Ų | 135 | 50% | 0.503 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -74.8 | -46.6 | 176.7 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | V280 W281 R282 W286 R287 C288 | V280-V284 WeakPolarHBondContact O-CG2 3.39Å; V280-V284 PolarHBondContact O-N 2.53Å; W281-V284 PolarHBondContact O-N 2.9Å; R282-V284 PolarHBondContact O-N 3.36Å; V284-W286 PolarHBondContact O-N 3.48Å; V284-R287 PolarHBondContact O-N 2.85Å; V284-C288 PolarHBondContact O-N 3.08Å |
| 285 | I | 35.7 | Very low | 34.5 | Very low | 80 Ų | 80 | 136.6 Ų | 136.6 | 41% | 0.41 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -63.1 | -44 | 178.3 | -61.9 | 161.4 | 0 | 0 | 0 | 111.1 | W281 R287 C288 | W281-I285 HydrophobicContact CD2-CD1 4.49Å; W281-I285 HydrophobicContact CE3-CD1 3.25Å; W281-I285 HydrophobicContact CE3-CG1 3.49Å; W281-I285 VanDerWaalsContact CE3-CG1 3.49Å; W281-I285 HydrophobicContact CZ3-CD1 3.45Å; W281-I285 VanDerWaalsContact CZ3-CD1 3.45Å; W281-I285 HydrophobicContact CZ3-CG1 3.51Å; W281-I285 WeakPolarHBondContact O-CG1 3.27Å; W281-I285 PolarHBondContact O-N 2.85Å; I285-R287 PolarHBondContact O-N 3Å; I285-C288 PolarHBondContact O-N 2.66Å; I285-C288 VanDerWaalsContact O-N 3.15Å |
| 286 | W | 27.3 | Very low | 33.6 | Very low | 210 Ų | 210 | 139.5 Ų | 139.5 | 80% | 0.795 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -63.6 | -29.3 | -178.5 | -126 | 82.6 | 0 | 0 | 0 | 112.4 | R282 V284 | R282-W286 WeakPolarHBondContact O-CB 3.28Å; R282-W286 PolarHBondContact O-N 3.16Å; R282-W286 VanDerWaalsContact O-N 3.08Å; V284-W286 PolarHBondContact O-N 3.48Å |
| 287 | R | 29.6 | Very low | 32.7 | Very low | 223 Ų | 223 | 139 Ų | 139 | 84% | 0.842 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -77.3 | -22.5 | 178.4 | -165.2 | 147.7 | 177.1 | 138.4 | -4.3 | 113.4 | R283 V284 I285 | R283-R287 WeakPolarHBondContact O-CB 3.41Å; R283-R287 PolarHBondContact O-N 3.34Å; V284-R287 PolarHBondContact O-N 2.85Å; I285-R287 PolarHBondContact O-N 3Å |
| 288 | C | 31.4 | Very low | 31.8 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 70% | 0.696 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -84.3 | -19.2 | 178.5 | -71.8 | 0 | 0 | 0 | 0 | 114.2 | V284 I285 | V284-C288 PolarHBondContact O-N 3.08Å; I285-C288 PolarHBondContact O-N 2.66Å; I285-C288 VanDerWaalsContact O-N 3.15Å |
| 289 | H | 32.8 | Very low | 30.9 | Very low | 151 Ų | 151 | 142 Ų | 142 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -105.9 | 2.9 | -174.5 | -93.2 | -62.1 | 0 | 0 | 0 | 116.7 | G291 | H289-G291 PolarHBondContact O-N 3.02Š|
| 290 | A | 29.5 | Very low | 30.3 | Very low | 87 Ų | 87 | 143 Ų | 143 | 72% | 0.719 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 3.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 291 | G | 27.4 | Very low | 29.5 | Very low | 69 Ų | 69 | 145.8 Ų | 145.8 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -23.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | H289 | H289-G291 PolarHBondContact O-N 3.02Š|
| 292 | R | 27.6 | Very low | 29.2 | Very low | 227 Ų | 227 | 145.9 Ų | 145.9 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | trans | -149.4 | 114.5 | -177.3 | -64.3 | -170.6 | -154.2 | -145.3 | 5.4 | 110.9 | P294 | R292-P294 VanDerWaalsContact O-CD 3.31Å; R292-P294 WeakPolarHBondContact O-CD 3.41Å | ||
| 293 | K | 26.4 | Very low | 28.9 | Very low | 205 Ų | 205 | 143.5 Ų | 143.5 | 89% | 0.891 | 74% | 0.737 | S | S | * | * | trans | -59.4 | 119.6 | 163.8 | -77.5 | -176.5 | 175.3 | 178.5 | 0 | 108.2 | S295 | K293-S295 PolarHBondContact O-N 3.46Š| ||
| 294 | P | 27.1 | Very low | 28.3 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | trans | -78.5 | 118.4 | 169.5 | -0.1 | 17.4 | 0 | 0 | 0 | 108.1 | R292 F296 | R292-P294 VanDerWaalsContact O-CD 3.31Å; R292-P294 WeakPolarHBondContact O-CD 3.41Å; P294-F296 PolarHBondContact O-N 3.44Å; P294-F296 VanDerWaalsContact O-N 3.08Å | ||
| 295 | S | 25.1 | Very low | 27.7 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | -67.6 | 101.5 | 162 | -57.3 | 0 | 0 | 0 | 0 | 107.5 | K293 S297 | K293-S295 PolarHBondContact O-N 3.46Å; S295-S297 PolarHBondContact O-N 3.36Å; S295-S297 VanDerWaalsContact O-N 3.15Å | ||
| 296 | F | 25.4 | Very low | 27.4 | Very low | 177 Ų | 177 | 149 Ų | 149 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -63.8 | 106.3 | 168.9 | -110.6 | -97.9 | 0 | 0 | 0 | 108.2 | P294 N298 | P294-F296 PolarHBondContact O-N 3.44Å; P294-F296 VanDerWaalsContact O-N 3.08Å; F296-N298 WeakPolarHBondContact CD1-OD1 3.05Å | ||
| 297 | S | 25 | Very low | 27.4 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -96.8 | 101.8 | 152.7 | -163 | 0 | 0 | 0 | 0 | 106.1 | S295 D299 | S295-S297 PolarHBondContact O-N 3.36Å; S295-S297 VanDerWaalsContact O-N 3.15Å; S297-D299 PolarHBondContact O-N 3.16Å | ||
| 298 | N | 26.4 | Very low | 27.5 | Very low | 119 Ų | 119 | 140 Ų | 140 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -57.1 | 124.4 | 166.9 | -64.9 | -42.2 | 0 | 0 | 0 | 107.6 | F296 | F296-N298 WeakPolarHBondContact CD1-OD1 3.05Š| ||
| 299 | D | 23.8 | Very low | 27.4 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 173.6 | 62.9 | 148.9 | -83.6 | -19.8 | 0 | 0 | 0 | 109.8 | S297 | S297-D299 PolarHBondContact O-N 3.16Š| ||
| 300 | I | 28.6 | Very low | 27.4 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | trans | -136.5 | 94.4 | 154.5 | -53.4 | -179.8 | 0 | 0 | 0 | 107.5 | F302 | I300-F302 HydrophobicContact CG2-CD2 3.55Å; I300-F302 HydrophobicContact CG2-CE2 3.55Å; I300-F302 PolarHBondContact O-N 3.23Å | ||
| 301 | N | 24.2 | Very low | 27.7 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -67.7 | 91.9 | 169.9 | -71.1 | -46.4 | 0 | 0 | 0 | 109.4 | T303 | N301-T303 PolarHBondContact O-N 2.83Š| ||
| 302 | F | 27.7 | Very low | 28.4 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -85 | 97.1 | 159 | -89.5 | -81.3 | 0 | 0 | 0 | 108.4 | I300 K304 | I300-F302 HydrophobicContact CG2-CD2 3.55Å; I300-F302 HydrophobicContact CG2-CE2 3.55Å; I300-F302 PolarHBondContact O-N 3.23Å; F302-K304 PolarHBondContact O-N 3.48Å | ||
| 303 | T | 27.2 | Very low | 28.9 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -57 | 116.9 | 162 | 37 | 0 | 0 | 0 | 0 | 108.6 | N301 P305 | N301-T303 PolarHBondContact O-N 2.83Å; T303-P305 WeakPolarHBondContact O-CD 3.49Å |
| 304 | K | 26.1 | Very low | 29.2 | Very low | 192 Ų | 192 | 133.5 Ų | 133.5 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -63 | 124.4 | 179.1 | -71.7 | 174 | 176.4 | 174.5 | 0 | 110.4 | F302 | F302-K304 PolarHBondContact O-N 3.48Š|
| 305 | P | 27.5 | Very low | 29.4 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 132.9 | 154.4 | 4.4 | 14.4 | 0 | 0 | 0 | 108.6 | T303 | T303-P305 WeakPolarHBondContact O-CD 3.49Š|
| 306 | N | 28.6 | Very low | 29.9 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 140.5 | 174.5 | -70.1 | -36.9 | 0 | 0 | 0 | 111.3 | ||
| 307 | G | 28.7 | Very low | 30.3 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 94.3 | 102.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | G309 | G307-G309 PolarHBondContact O-N 2.86Š|
| 308 | N | 30.8 | Very low | 30.7 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 95% | 0.947 | 73% | 0.734 | S | S | * | * | trans | 32.9 | 84.7 | 146.9 | -63 | -4 | 0 | 0 | 0 | 117.4 | ||||
| 309 | G | 30 | Very low | 30.9 | Very low | 64 Ų | 64 | 138.1 Ų | 138.1 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | trans | -169.4 | 94 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G307 S311 | G307-G309 PolarHBondContact O-N 2.86Å; G309-S311 PolarHBondContact O-N 3.33Å | ||
| 310 | F | 33.3 | Very low | 31.5 | Very low | 215 Ų | 215 | 138.2 Ų | 138.2 | 94% | 0.943 | 74% | 0.739 | S | S | * | * | trans | -61.3 | 92.7 | 164.2 | -75.3 | -90.1 | 0 | 0 | 0 | 107.5 | S312 | F310-S312 VanDerWaalsContact C-N 3.26Å; F310-S312 PolarHBondContact O-N 2.83Å | ||
| 311 | S | 35.8 | Very low | 31.6 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | trans | -66 | 94.4 | 168.4 | -80 | 0 | 0 | 0 | 0 | 107.5 | G309 | G309-S311 PolarHBondContact O-N 3.33Š| ||
| 312 | S | 40.5 | Very low | 31.9 | Very low | 70 Ų | 70 | 132.1 Ų | 132.1 | 49% | 0.49 | 72% | 0.719 | S | S | . | * | trans | -56.7 | 144.1 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 110.1 | F310 H314 Q315 | F310-S312 VanDerWaalsContact C-N 3.26Å; F310-S312 PolarHBondContact O-N 2.83Å; S312-H314 PolarHBondContact O-N 3.41Å; S312-Q315 PolarHBondContact O-N 3.37Å | ||
| 313 | V | 39.4 | Very low | 31.9 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -45.6 | -23.8 | 174.8 | -179.3 | 0 | 0 | 0 | 0 | 112.9 | Q315 L316 R317 | V313-Q315 VanDerWaalsContact C-N 3.32Å; V313-Q315 PolarHBondContact O-N 3.44Å; V313-L316 PolarHBondContact O-N 3.08Å; V313-R317 PolarHBondContact O-N 3.18Å |
| 314 | H | 31.8 | Very low | 32.2 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -54.5 | -38.2 | 171.8 | -97.6 | -90.2 | 0 | 0 | 0 | 114.7 | S312 R317 L318 | S312-H314 PolarHBondContact O-N 3.41Å; H314-R317 PolarHBondContact O-N 3.3Å; H314-L318 PolarHBondContact O-N 2.97Å |
| 315 | Q | 31.8 | Very low | 32.3 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 61% | 0.612 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -75.8 | -31.9 | -174.5 | -164.6 | 155.8 | -33.4 | 0 | 0 | 112.4 | S312 V313 R317 Q319 | S312-Q315 PolarHBondContact O-N 3.37Å; V313-Q315 VanDerWaalsContact C-N 3.32Å; V313-Q315 PolarHBondContact O-N 3.44Å; Q315-R317 VanDerWaalsContact C-N 3.27Å; Q315-R317 PolarHBondContact O-N 3.44Å; Q315-Q319 PolarHBondContact O-N 3.21Å |
| 316 | L | 35.1 | Very low | 32.4 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -65.6 | -31.1 | 171.2 | -80.8 | 163.3 | 0 | 0 | 0 | 112 | V313 | V313-L316 PolarHBondContact O-N 3.08Å |
| 317 | R | 33 | Very low | 32.6 | Very low | 199 Ų | 199 | 130.2 Ų | 130.2 | 75% | 0.751 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -75.4 | -36.7 | -179.5 | -155.3 | 174.2 | -172.1 | 162.2 | 1.3 | 112.6 | V313 H314 Q315 L320 A321 | V313-R317 PolarHBondContact O-N 3.18Å; H314-R317 PolarHBondContact O-N 3.3Å; Q315-R317 VanDerWaalsContact C-N 3.27Å; Q315-R317 PolarHBondContact O-N 3.44Å; R317-L320 PolarHBondContact O-N 3.03Å; R317-A321 PolarHBondContact O-N 3.2Å |
| 318 | L | 35.4 | Very low | 32.7 | Very low | 116 Ų | 116 | 133 Ų | 133 | 61% | 0.607 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -70.5 | -36 | -179.7 | -74.6 | 170.4 | 0 | 0 | 0 | 113.1 | H314 L320 A321 | H314-L318 PolarHBondContact O-N 2.97Å; L318-L320 VanDerWaalsContact C-N 3.26Å; L318-L320 PolarHBondContact O-N 2.92Å; L318-A321 PolarHBondContact O-N 3.25Å |
| 319 | Q | 30.7 | Very low | 32.4 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -65.7 | -27.9 | 177 | -91.4 | -170.4 | -28.9 | 0 | 0 | 113.5 | Q315 | Q315-Q319 PolarHBondContact O-N 3.21Å |
| 320 | L | 34.7 | Very low | 32.4 | Very low | 144 Ų | 144 | 133 Ų | 133 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -79.6 | -27.2 | 177.7 | -74.6 | 165.1 | 0 | 0 | 0 | 112.9 | R317 L318 | R317-L320 PolarHBondContact O-N 3.03Å; L318-L320 VanDerWaalsContact C-N 3.26Å; L318-L320 PolarHBondContact O-N 2.92Å |
| 321 | A | 30.6 | Very low | 32.1 | Very low | 47 Ų | 47 | 130.8 Ų | 130.8 | 39% | 0.388 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -74.7 | -44.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R317 L318 R323 S324 | R317-A321 PolarHBondContact O-N 3.2Å; L318-A321 PolarHBondContact O-N 3.25Å; A321-R323 PolarHBondContact O-N 3.35Å; A321-S324 PolarHBondContact O-N 3.32Å; A321-S324 VanDerWaalsContact O-N 3.16Å; A321-S324 PolarHBondContact O-OG 3.3Å |
| 322 | V | 32 | Very low | 31.6 | Very low | 116 Ų | 116 | 135 Ų | 135 | 70% | 0.703 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -19.8 | -174.6 | 177.4 | 0 | 0 | 0 | 0 | 113.2 | S324 | V322-S324 VanDerWaalsContact C-N 3.31Å; V322-S324 PolarHBondContact O-N 3.42Å |
| 323 | R | 27.3 | Very low | 30.8 | Very low | 232 Ų | 232 | 139.5 Ų | 139.5 | 88% | 0.875 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -5.4 | -179.2 | -156 | 166.3 | 177.5 | 174.8 | -1.2 | 114.2 | A321 | A321-R323 PolarHBondContact O-N 3.35Š|
| 324 | S | 32.7 | Very low | 30.1 | Very low | 84 Ų | 84 | 138.2 Ų | 138.2 | 59% | 0.587 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -105.5 | -14.7 | -172.3 | 67.5 | 0 | 0 | 0 | 0 | 116.2 | A321 V322 S326 | A321-S324 PolarHBondContact O-N 3.32Å; A321-S324 VanDerWaalsContact O-N 3.16Å; A321-S324 PolarHBondContact O-OG 3.3Å; V322-S324 VanDerWaalsContact C-N 3.31Å; V322-S324 PolarHBondContact O-N 3.42Å; S324-S326 VanDerWaalsContact C-N 3.29Å; S324-S326 PolarHBondContact O-N 3.46Å |
| 325 | E | 28.7 | Very low | 29.7 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -1.1 | -172.9 | -68.1 | -179.6 | 170.9 | 0 | 0 | 114.9 | L327 | E325-L327 PolarHBondContact O-N 2.81Š|
| 326 | S | 30.2 | Very low | 29.1 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -9.5 | -174.6 | -173.5 | 0 | 0 | 0 | 0 | 115 | S324 | S324-S326 VanDerWaalsContact C-N 3.29Å; S324-S326 PolarHBondContact O-N 3.46Å |
| 327 | L | 31.5 | Very low | 28.7 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -121.5 | 8.1 | -163.5 | -75.9 | 170.4 | 0 | 0 | 0 | 118 | E325 | E325-L327 PolarHBondContact O-N 2.81Š|
| 328 | T | 30.4 | Very low | 28.5 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | trans | -113.6 | 8 | -171 | 54.5 | 0 | 0 | 0 | 0 | 117.1 | T330 | T328-T330 PolarHBondContact O-N 2.87Š| ||
| 329 | S | 26.4 | Very low | 28 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 13.8 | -173.1 | 60.7 | 0 | 0 | 0 | 0 | 117.5 | ||
| 330 | T | 28.8 | Very low | 27.9 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 6.6 | -167.7 | -17.5 | 0 | 0 | 0 | 0 | 118.3 | T328 | T328-T330 PolarHBondContact O-N 2.87Š|
| 331 | I | 28.2 | Very low | 27.4 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -128.9 | 33.9 | -169.2 | -42.7 | -179.6 | 0 | 0 | 0 | 115.1 | ||||
| 332 | E | 24.9 | Very low | 27.1 | Very low | 187 Ų | 187 | 152.5 Ų | 152.5 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -101.1 | 2.9 | -176.5 | -117.6 | -179 | -178.3 | 0 | 0 | 118.1 | ||||
| 333 | N | 24.2 | Very low | 26.8 | Very low | 164 Ų | 164 | 153.4 Ų | 153.4 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -118.3 | 45.4 | -164.9 | -72.5 | -14.6 | 0 | 0 | 0 | 118.3 | ||||
| 334 | S | 22.8 | Very low | 26.8 | Very low | 94 Ų | 94 | 150.4 Ų | 150.4 | 66% | 0.657 | 81% | 0.813 | S | S | * | * | trans | -161.6 | 84.9 | 170.4 | 170.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 335 | W | 23.7 | Very low | 26.5 | Very low | 244 Ų | 244 | 152.1 Ų | 152.1 | 92% | 0.924 | 82% | 0.822 | S | S | * | * | trans | -171.4 | 86.6 | 150.3 | -78.9 | 113.4 | 0 | 0 | 0 | 110.3 | ||||
| 336 | F | 20.6 | Very low | 26.4 | Very low | 212 Ų | 212 | 149.8 Ų | 149.8 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | -144.1 | 119.5 | 166.8 | -107.1 | -87.4 | 0 | 0 | 0 | 108.7 | ||||
| 337 | I | 25.9 | Very low | 26.3 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | trans | -143.1 | 136.1 | 166.3 | -59 | -175.8 | 0 | 0 | 0 | 109.7 | ||||
| 338 | P | 28.7 | Very low | 26.3 | Very low | 124 Ų | 124 | 155.8 Ų | 155.8 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | trans | -103.2 | 164.1 | -164.8 | 13.7 | 9.5 | 0 | 0 | 0 | 115.4 | ||||
| 339 | E | 25.8 | Very low | 26.6 | Very low | 179 Ų | 179 | 155.6 Ų | 155.6 | 84% | 0.836 | 83% | 0.831 | S | S | * | * | trans | -75.1 | 145.7 | -179.3 | -63.6 | -170.4 | 156.1 | 0 | 0 | 113.7 | ||||
| 340 | G | 27.2 | Very low | 27.1 | Very low | 79 Ų | 79 | 154.4 Ų | 154.4 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | -157.3 | 145.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 341 | E | 24.2 | Very low | 27.3 | Very low | 196 Ų | 196 | 154.5 Ų | 154.5 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | trans | -62.6 | 157.5 | -155.3 | -81.5 | 174.1 | 128.3 | 0 | 0 | 120.9 | ||||
| 342 | I | 25 | Very low | 27.6 | Very low | 166 Ų | 166 | 155.6 Ų | 155.6 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | -85.2 | 123.6 | -176.1 | -61.4 | 163.1 | 0 | 0 | 0 | 110.5 | ||||
| 343 | V | 26.3 | Very low | 28.8 | Very low | 135 Ų | 135 | 159.9 Ų | 159.9 | 82% | 0.818 | 85% | 0.848 | S | S | * | * | trans | -128.2 | 130.5 | 165.1 | -180 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 344 | Q | 26.1 | Very low | 29.1 | Very low | 169 Ų | 169 | 159.7 Ų | 159.7 | 79% | 0.79 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 160.8 | -174.1 | -77.4 | -178.6 | -27 | 0 | 0 | 114.8 | ||
| 345 | P | 27.7 | Very low | 29.4 | Very low | 120 Ų | 120 | 163.2 Ų | 163.2 | 78% | 0.779 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 128.1 | -167.6 | 7.5 | 10.3 | 0 | 0 | 0 | 113 | ||
| 346 | C | 25.4 | Very low | 29.7 | Very low | 112 Ų | 112 | 158.7 Ų | 158.7 | 76% | 0.757 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 129 | 170.8 | -66.6 | 0 | 0 | 0 | 0 | 111 | ||
| 347 | K | 28.8 | Very low | 30.3 | Very low | 214 Ų | 214 | 155.5 Ų | 155.5 | 93% | 0.93 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 121.3 | 172 | -69.5 | 177.8 | 177.1 | 178.9 | 0 | 109.6 | ||
| 348 | H | 31.2 | Very low | 30.5 | Very low | 179 Ų | 179 | 155.1 Ų | 155.1 | 83% | 0.829 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 152.8 | 172.9 | -88 | -75.3 | 0 | 0 | 0 | 112.1 | ||
| 349 | P | 36.6 | Very low | 30.7 | Very low | 121 Ų | 121 | 157.2 Ų | 157.2 | 79% | 0.786 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 158.2 | -163.6 | 36.3 | -34.6 | 0 | 0 | 0 | 114.6 | ||
| 350 | A | 36.4 | Very low | 31 | Very low | 94 Ų | 94 | 155.6 Ų | 155.6 | 78% | 0.777 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 152.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 351 | P | 34.6 | Very low | 31.3 | Very low | 127 Ų | 127 | 161.5 Ų | 161.5 | 83% | 0.825 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 148.5 | -166.2 | 34.5 | -36 | 0 | 0 | 0 | 114 | ||
| 352 | H | 34.1 | Very low | 31.9 | Very low | 190 Ų | 190 | 158.7 Ų | 158.7 | 88% | 0.88 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 143.1 | 175.2 | -79.4 | -90.1 | 0 | 0 | 0 | 113.8 | ||
| 353 | K | 50.8 | Low | 32.5 | Very low | 277 Ų | 277 | 158 Ų | 158 | 100% | 1.204 | 85% | 0.852 | S | S | * | * | trans | -111.1 | 0 | 149.5 | -92.6 | -170.7 | 176.7 | -176.6 | 0 | 108.8 |
Retrieved 353 of 353 residues in 990 ms
(Link to these results)