| 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 | 35.3 | Very low | 42.8 | Very low | 259 Ų | 259 | 164.7 Ų | 164.7 | 100% | 1.276 | 84% | 0.842 | S | S | * | * | 0 | 118.1 | 0 | -76.1 | 176.9 | 175.5 | 0 | 0 | 108.7 | |||||
| 2 | G | 38 | Very low | 43.2 | Very low | 68 Ų | 68 | 165.8 Ų | 165.8 | 70% | 0.701 | 84% | 0.841 | S | S | * | * | trans | -152 | 105.6 | 169 | 0 | 0 | 0 | 0 | 0 | 107.9 | K4 | G2-K4 PolarHBondContact O-N 2.68Å; G2-K4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | R | 42.9 | Very low | 43.3 | Very low | 259 Ų | 259 | 164.4 Ų | 164.4 | 98% | 0.977 | 83% | 0.826 | S | S | * | * | trans | -61.2 | 109.3 | 179.3 | -73.6 | 175.9 | 172.9 | 170.5 | -3.9 | 108.6 | A5 | R3-A5 PolarHBondContact O-N 2.89Š| ||
| 4 | K | 46.9 | Very low | 43.7 | Very low | 199 Ų | 199 | 160.6 Ų | 160.6 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -82.9 | 113.1 | 172 | -70.7 | -171.6 | 177.9 | -177 | 0 | 108.2 | G2 | G2-K4 PolarHBondContact O-N 2.68Å; G2-K4 VanDerWaalsContact O-N 3.16Å | ||
| 5 | A | 43.5 | Very low | 44.2 | Very low | 88 Ų | 88 | 160.8 Ų | 160.8 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -63.1 | 137.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | R3 T7 | R3-A5 PolarHBondContact O-N 2.89Å; A5-T7 PolarHBondContact O-N 3.47Å; A5-T7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | Y | 41.1 | Very low | 44.3 | Very low | 231 Ų | 231 | 160.3 Ų | 160.3 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -67.1 | 104.8 | 177.4 | -55.3 | -90.5 | 0 | 0 | 0 | 109.3 | L8 | Y6-L8 PolarHBondContact O-N 2.9Š| ||
| 7 | T | 41.2 | Very low | 44.4 | Very low | 114 Ų | 114 | 157.9 Ų | 157.9 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -77.9 | 108.8 | 167.2 | -50.3 | 0 | 0 | 0 | 0 | 107.3 | A5 L9 | A5-T7 PolarHBondContact O-N 3.47Å; A5-T7 VanDerWaalsContact O-N 3.14Å; T7-L9 VanDerWaalsContact C-N 3.29Å; T7-L9 PolarHBondContact O-N 2.99Å | ||
| 8 | L | 44 | Very low | 44.8 | Very low | 173 Ų | 173 | 157.2 Ų | 157.2 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -56.2 | 94.3 | 162.9 | -87.3 | 142 | 0 | 0 | 0 | 107.8 | Y6 K10 | Y6-L8 PolarHBondContact O-N 2.9Å; L8-K10 PolarHBondContact O-N 3.2Å | ||
| 9 | L | 42.5 | Very low | 44.9 | Very low | 138 Ų | 138 | 154.3 Ų | 154.3 | 72% | 0.723 | 79% | 0.792 | S | S | * | * | trans | -70.7 | 120.8 | 178.8 | -77.9 | 159.1 | 0 | 0 | 0 | 108.6 | T7 | T7-L9 VanDerWaalsContact C-N 3.29Å; T7-L9 PolarHBondContact O-N 2.99Å | ||
| 10 | K | 41.5 | Very low | 45.2 | Very low | 168 Ų | 168 | 152 Ų | 152 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | -56.7 | 147.1 | 173.6 | -86.2 | 175.8 | 171.7 | 178.8 | 0 | 110.6 | L8 E12 F13 | L8-K10 PolarHBondContact O-N 3.2Å; K10-E12 PolarHBondContact O-N 2.91Å; K10-F13 PolarHBondContact O-N 2.67Å | ||
| 11 | P | 53.8 | Low | 45.4 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 11.8 | -171.5 | 29.6 | -36.8 | 0 | 0 | 0 | 115.7 | ||
| 12 | E | 47.3 | Very low | 46.2 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -6.2 | 176.9 | -65.4 | -176.8 | -166.2 | 0 | 0 | 113 | K10 V14 | K10-E12 PolarHBondContact O-N 2.91Å; E12-V14 VanDerWaalsContact C-N 3.32Å; E12-V14 PolarHBondContact O-N 2.92Å |
| 13 | F | 44.8 | Very low | 46.8 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 65% | 0.645 | 76% | 0.758 | S | S | * | * | trans | -96.1 | 60.5 | 167.7 | -77.8 | -89.3 | 0 | 0 | 0 | 110.3 | K10 | K10-F13 PolarHBondContact O-N 2.67Š| ||
| 14 | V | 48.9 | Very low | 47.4 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | trans | -99.1 | 121 | 164 | 178.3 | 0 | 0 | 0 | 0 | 106.2 | E12 | E12-V14 VanDerWaalsContact C-N 3.32Å; E12-V14 PolarHBondContact O-N 2.92Å | ||
| 15 | E | 51.4 | Low | 47.6 | Very low | 163 Ų | 163 | 139 Ų | 139 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 110.5 | -15.9 | 155.2 | -142.9 | 156.7 | -147.7 | 0 | 0 | 119.8 | ||
| 16 | N | 46.1 | Very low | 48.1 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -122.9 | -3.6 | -179.4 | -76.6 | -41.2 | 0 | 0 | 0 | 118.4 | ||
| 17 | D | 45.9 | Very low | 48.9 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | -128.4 | 31.8 | -176.4 | -76.3 | -37.8 | 0 | 0 | 0 | 113.8 | P19 | D17-P19 WeakPolarHBondContact O-CD 3.41Š| ||
| 18 | L | 51.5 | Low | 50.2 | Low | 145 Ų | 145 | 141.7 Ų | 141.7 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | trans | -76.2 | 109.7 | 161.3 | -80.1 | 132.3 | 0 | 0 | 0 | 107.3 | ||||
| 19 | P | 47 | Very low | 51.4 | Low | 102 Ų | 102 | 144 Ų | 144 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | trans | -57.3 | 138.6 | 167.6 | 25.7 | -32.3 | 0 | 0 | 0 | 107.3 | D17 I21 | D17-P19 WeakPolarHBondContact O-CD 3.41Å; P19-I21 PolarHBondContact O-N 3.28Å | ||
| 20 | P | 50.8 | Low | 52.9 | Low | 108 Ų | 108 | 144.4 Ų | 144.4 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | trans | -52.4 | 119.3 | 176.6 | 22.5 | -31.9 | 0 | 0 | 0 | 107.1 | D22 | P20-D22 PolarHBondContact O-N 3.24Š| ||
| 21 | I | 49.1 | Very low | 54.6 | Low | 126 Ų | 126 | 140.9 Ų | 140.9 | 65% | 0.646 | 71% | 0.705 | S | S | * | * | trans | -65 | 102.5 | 165.6 | -61.7 | 171.9 | 0 | 0 | 0 | 102.6 | P19 D23 | P19-I21 PolarHBondContact O-N 3.28Å; I21-D23 WeakPolarHBondContact CG2-OD1 3.43Å; I21-D23 PolarHBondContact O-N 3.33Å | ||
| 22 | D | 52.1 | Low | 55.9 | Low | 134 Ų | 134 | 138.5 Ų | 138.5 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | trans | -61.7 | 82.9 | 163 | -72.5 | -32.6 | 0 | 0 | 0 | 105.8 | P20 E24 | P20-D22 PolarHBondContact O-N 3.24Å; D22-E24 PolarHBondContact O-N 2.87Å | ||
| 23 | D | 50.8 | Low | 57.6 | Low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 68% | 0.677 | S | S | * | * | trans | -69.5 | 48.3 | 158 | -78.5 | -30.4 | 0 | 0 | 0 | 107.9 | I21 P25 | I21-D23 WeakPolarHBondContact CG2-OD1 3.43Å; I21-D23 PolarHBondContact O-N 3.33Å; D23-P25 WeakPolarHBondContact O-CD 3.44Å | ||
| 24 | E | 54.1 | Low | 59.6 | Low | 156 Ų | 156 | 131.2 Ų | 131.2 | 73% | 0.729 | 67% | 0.667 | S | S | * | * | trans | -92.2 | 102.4 | 166.9 | -153 | 100.4 | -146.1 | 0 | 0 | 104.4 | D22 R26 | D22-E24 PolarHBondContact O-N 2.87Å; E24-R26 PolarHBondContact O-N 3.34Å | ||
| 25 | P | 52.7 | Low | 61.4 | Low | 105 Ų | 105 | 132.7 Ų | 132.7 | 68% | 0.682 | 67% | 0.665 | S | S | * | * | trans | -62.6 | 95.9 | 171.1 | 26.7 | -33 | 0 | 0 | 0 | 106.4 | D23 R27 | D23-P25 WeakPolarHBondContact O-CD 3.44Å; P25-R27 PolarHBondContact O-N 2.69Å | ||
| 26 | R | 54.2 | Low | 63.2 | Low | 245 Ų | 245 | 132.4 Ų | 132.4 | 93% | 0.925 | 66% | 0.657 | S | S | * | * | trans | -68.6 | 33.3 | 165.5 | -155.5 | -176.1 | -174.4 | -174.2 | 3.1 | 110.2 | E24 S28 | E24-R26 PolarHBondContact O-N 3.34Å; R26-S28 PolarHBondContact O-N 3.49Å | ||
| 27 | R | 57.7 | Low | 65.3 | Low | 192 Ų | 192 | 128.2 Ų | 128.2 | 73% | 0.725 | 64% | 0.639 | S | S | * | * | trans | -61.5 | 121.2 | 154.2 | -97 | -167 | 159.2 | 163.9 | 3.1 | 105.5 | P25 R29 E31 | P25-R27 PolarHBondContact O-N 2.69Å; R27-R29 PolarHBondContact O-N 3.15Å; R27-E31 WeakPolarHBondContact CG-OE2 3.35Å; R27-E31 IonicContact NE-OE2 3.29Å; R27-E31 PolarHBondContact NE-OE2 2.92Å | ||
| 28 | S | 68 | Low | 67.4 | Low | 51 Ų | 51 | 127.7 Ų | 127.7 | 36% | 0.357 | 64% | 0.635 | S | S | . | * | trans | -49.6 | 133.8 | -178.4 | 65.4 | 0 | 0 | 0 | 0 | 108.9 | R26 M30 E31 | R26-S28 PolarHBondContact O-N 3.49Å; S28-M30 PolarHBondContact O-N 3.46Å; S28-E31 PolarHBondContact O-N 3.17Å; S28-E31 WeakPolarHBondContact OG-CG 3.33Å; S28-E31 PolarHBondContact OG-N 2.9Å; S28-E31 PolarHBondContact OG-OE1 2.85Å | ||
| 29 | R | 70.1 | Confident | 69.3 | Low | 222 Ų | 222 | 122.9 Ų | 122.9 | 84% | 0.838 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -48.2 | -27.2 | 173.4 | -73.3 | -177.6 | 176.2 | 178.2 | -1.5 | 111.9 | R27 S32 I33 | R27-R29 PolarHBondContact O-N 3.15Å; R29-S32 PolarHBondContact O-N 3.33Å; R29-I33 WeakPolarHBondContact O-CD1 3.34Å; R29-I33 VanDerWaalsContact O-CG1 3.26Å; R29-I33 WeakPolarHBondContact O-CG1 3.31Å; R29-I33 PolarHBondContact O-N 3.09Å; R29-I33 VanDerWaalsContact O-N 3.11Å |
| 30 | M | 73.1 | Confident | 71.4 | Confident | 146 Ų | 146 | 123.1 Ų | 123.1 | 72% | 0.719 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.6 | -45 | 175.4 | -151.9 | 160.9 | -175.4 | 0 | 0 | 113.1 | S28 S32 I33 C34 | S28-M30 PolarHBondContact O-N 3.46Å; M30-S32 PolarHBondContact O-N 3.4Å; M30-I33 PolarHBondContact O-N 2.84Å; M30-C34 WeakPolarHBondContact O-CB 3.47Å; M30-C34 PolarHBondContact O-N 2.77Å; M30-C34 PolarHBondContact O-SG 3.37Å |
| 31 | E | 77.3 | Confident | 73.4 | Confident | 95 Ų | 95 | 123.3 Ų | 123.3 | 44% | 0.444 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.6 | -41.4 | 176.5 | -78.7 | 162.9 | -121.8 | 0 | 0 | 112.5 | R27 S28 C34 F35 | R27-E31 WeakPolarHBondContact CG-OE2 3.35Å; R27-E31 IonicContact NE-OE2 3.29Å; R27-E31 PolarHBondContact NE-OE2 2.92Å; S28-E31 PolarHBondContact O-N 3.17Å; S28-E31 WeakPolarHBondContact OG-CG 3.33Å; S28-E31 PolarHBondContact OG-N 2.9Å; S28-E31 PolarHBondContact OG-OE1 2.85Å; E31-C34 PolarHBondContact O-N 3.41Å; E31-F35 WeakPolarHBondContact O-CB 3.33Å; E31-F35 PolarHBondContact O-N 3.43Å |
| 32 | S | 80.9 | Confident | 75.5 | Confident | 64 Ų | 64 | 120.8 Ų | 120.8 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.3 | -46.3 | 178.8 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | R29 M30 C34 F35 W36 | R29-S32 PolarHBondContact O-N 3.33Å; M30-S32 PolarHBondContact O-N 3.4Å; S32-C34 PolarHBondContact O-N 2.82Å; S32-F35 PolarHBondContact O-N 3.49Å; S32-W36 VanDerWaalsContact O-CD1 3.22Å; S32-W36 PolarHBondContact O-N 3Å; S32-W36 VanDerWaalsContact O-N 3.09Å |
| 33 | I | 84.1 | Confident | 77.3 | Confident | 107 Ų | 107 | 116 Ų | 116 | 55% | 0.549 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.1 | -45.6 | 176 | -65.6 | 164.7 | 0 | 0 | 0 | 110.3 | R29 M30 F35 W36 C37 | R29-I33 WeakPolarHBondContact O-CD1 3.34Å; R29-I33 VanDerWaalsContact O-CG1 3.26Å; R29-I33 WeakPolarHBondContact O-CG1 3.31Å; R29-I33 PolarHBondContact O-N 3.09Å; R29-I33 VanDerWaalsContact O-N 3.11Å; M30-I33 PolarHBondContact O-N 2.84Å; I33-F35 VanDerWaalsContact C-N 3.34Å; I33-F35 PolarHBondContact O-N 2.96Å; I33-W36 PolarHBondContact O-N 2.89Å; I33-C37 WeakPolarHBondContact O-CB 3.43Å; I33-C37 PolarHBondContact O-N 3.22Å; I33-C37 PolarHBondContact O-SG 3.11Å |
| 34 | C | 85.8 | Confident | 79.3 | Confident | 66 Ų | 66 | 113.1 Ų | 113.1 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.1 | -41.8 | 177.2 | -72.8 | 0 | 0 | 0 | 0 | 112.4 | M30 E31 S32 C37 I38 | M30-C34 WeakPolarHBondContact O-CB 3.47Å; M30-C34 PolarHBondContact O-N 2.77Å; M30-C34 PolarHBondContact O-SG 3.37Å; E31-C34 PolarHBondContact O-N 3.41Å; S32-C34 PolarHBondContact O-N 2.82Å; C34-C37 PolarHBondContact O-N 3.23Å; C34-I38 VanDerWaalsContact O-CG1 3.26Å; C34-I38 WeakPolarHBondContact O-CG1 3.43Å; C34-I38 PolarHBondContact O-N 3.13Å |
| 35 | F | 86.5 | Confident | 81.2 | Confident | 142 Ų | 142 | 111.1 Ų | 111.1 | 62% | 0.623 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61 | -47.9 | 177.6 | -178.7 | -96.1 | 0 | 0 | 0 | 111.7 | E31 S32 I33 C37 I38 A39 | E31-F35 WeakPolarHBondContact O-CB 3.33Å; E31-F35 PolarHBondContact O-N 3.43Å; S32-F35 PolarHBondContact O-N 3.49Å; I33-F35 VanDerWaalsContact C-N 3.34Å; I33-F35 PolarHBondContact O-N 2.96Å; F35-C37 PolarHBondContact O-N 2.8Å; F35-I38 PolarHBondContact O-N 2.75Å; F35-A39 WeakPolarHBondContact O-CB 3.46Å; F35-A39 PolarHBondContact O-N 3.35Å |
| 36 | W | 88.9 | Confident | 83.1 | Confident | 158 Ų | 158 | 110.6 Ų | 110.6 | 60% | 0.598 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.9 | -39.9 | 176.3 | -77.4 | 108.9 | 0 | 0 | 0 | 112.5 | S32 I33 A39 I40 | S32-W36 VanDerWaalsContact O-CD1 3.22Å; S32-W36 PolarHBondContact O-N 3Å; S32-W36 VanDerWaalsContact O-N 3.09Å; I33-W36 PolarHBondContact O-N 2.89Å; W36-A39 PolarHBondContact O-N 2.85Å; W36-I40 WeakPolarHBondContact O-CB 3.14Å; W36-I40 WeakPolarHBondContact O-CG1 3.48Å; W36-I40 PolarHBondContact O-N 3.06Å |
| 37 | C | 90.5 | Very high | 84.9 | Confident | 65 Ų | 65 | 104.5 Ų | 104.5 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 174.9 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | I33 C34 F35 L41 | I33-C37 WeakPolarHBondContact O-CB 3.43Å; I33-C37 PolarHBondContact O-N 3.22Å; I33-C37 PolarHBondContact O-SG 3.11Å; C34-C37 PolarHBondContact O-N 3.23Å; F35-C37 PolarHBondContact O-N 2.8Å; C37-L41 WeakPolarHBondContact O-CB 3.28Å; C37-L41 VanDerWaalsContact O-CG 3.24Å; C37-L41 WeakPolarHBondContact O-CG 3.25Å; C37-L41 PolarHBondContact O-N 2.84Å |
| 38 | I | 90.5 | Very high | 86.4 | Confident | 108 Ų | 108 | 101.7 Ų | 101.7 | 55% | 0.554 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -43.7 | 177.5 | -67 | 164.6 | 0 | 0 | 0 | 110.5 | C34 F35 I40 L41 T42 | C34-I38 VanDerWaalsContact O-CG1 3.26Å; C34-I38 WeakPolarHBondContact O-CG1 3.43Å; C34-I38 PolarHBondContact O-N 3.13Å; F35-I38 PolarHBondContact O-N 2.75Å; I38-I40 PolarHBondContact O-N 3.19Å; I38-L41 PolarHBondContact O-N 3.26Å; I38-T42 VanDerWaalsContact O-CB 3.31Å; I38-T42 WeakPolarHBondContact O-CB 3.3Å; I38-T42 PolarHBondContact O-N 2.96Å; I38-T42 PolarHBondContact O-OG1 2.85Å |
| 39 | A | 91.1 | Very high | 87.3 | Confident | 43 Ų | 43 | 101.4 Ų | 101.4 | 36% | 0.355 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F35 W36 G43 | F35-A39 WeakPolarHBondContact O-CB 3.46Å; F35-A39 PolarHBondContact O-N 3.35Å; W36-A39 PolarHBondContact O-N 2.85Å; A39-G43 PolarHBondContact O-N 3.09Å |
| 40 | I | 91.8 | Very high | 88.2 | Confident | 108 Ų | 108 | 92.6 Ų | 92.6 | 55% | 0.554 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65 | -47.3 | 177.5 | -68 | 166.6 | 0 | 0 | 0 | 110.7 | W36 I38 T42 G43 V44 | W36-I40 WeakPolarHBondContact O-CB 3.14Å; W36-I40 WeakPolarHBondContact O-CG1 3.48Å; W36-I40 PolarHBondContact O-N 3.06Å; I38-I40 PolarHBondContact O-N 3.19Å; I40-T42 VanDerWaalsContact C-N 3.35Å; I40-T42 PolarHBondContact O-N 2.82Å; I40-G43 PolarHBondContact O-N 3.23Å; I40-V44 HydrophobicContact CG2-CG2 4.44Å; I40-V44 WeakPolarHBondContact O-CG2 3.46Å; I40-V44 PolarHBondContact O-N 2.91Å |
| 41 | L | 92.4 | Very high | 88.7 | Confident | 111 Ų | 111 | 89.1 Ų | 89.1 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.2 | -43.9 | 178.8 | -75.5 | 170.4 | 0 | 0 | 0 | 111.8 | C37 I38 G43 V44 I45 | C37-L41 WeakPolarHBondContact O-CB 3.28Å; C37-L41 VanDerWaalsContact O-CG 3.24Å; C37-L41 WeakPolarHBondContact O-CG 3.25Å; C37-L41 PolarHBondContact O-N 2.84Å; I38-L41 PolarHBondContact O-N 3.26Å; L41-G43 VanDerWaalsContact C-N 3.34Å; L41-G43 PolarHBondContact O-N 3.19Å; L41-V44 PolarHBondContact O-N 3.39Å; L41-I45 WeakPolarHBondContact O-CD1 3.35Å; L41-I45 VanDerWaalsContact O-CG1 3.24Å; L41-I45 WeakPolarHBondContact O-CG1 3.27Å; L41-I45 PolarHBondContact O-N 3.31Å |
| 42 | T | 92.4 | Very high | 89 | Confident | 74 Ų | 74 | 88.5 Ų | 88.5 | 45% | 0.454 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 177.2 | -49.8 | 0 | 0 | 0 | 0 | 110.7 | I38 I40 V44 I45 V46 | I38-T42 VanDerWaalsContact O-CB 3.31Å; I38-T42 WeakPolarHBondContact O-CB 3.3Å; I38-T42 PolarHBondContact O-N 2.96Å; I38-T42 PolarHBondContact O-OG1 2.85Å; I40-T42 VanDerWaalsContact C-N 3.35Å; I40-T42 PolarHBondContact O-N 2.82Å; T42-V44 PolarHBondContact O-N 2.83Å; T42-I45 PolarHBondContact O-N 3.47Å; T42-V46 HydrophobicContact CG2-CG2 4.48Å; T42-V46 VanDerWaalsContact O-CG2 3.28Å; T42-V46 WeakPolarHBondContact O-CG2 2.9Å; T42-V46 PolarHBondContact O-N 3.45Å |
| 43 | G | 91.2 | Very high | 89.2 | Confident | 32 Ų | 32 | 90 Ų | 90 | 33% | 0.33 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A39 I40 L41 V46 I47 | A39-G43 PolarHBondContact O-N 3.09Å; I40-G43 PolarHBondContact O-N 3.23Å; L41-G43 VanDerWaalsContact C-N 3.34Å; L41-G43 PolarHBondContact O-N 3.19Å; G43-V46 PolarHBondContact O-N 3.24Å; G43-I47 VanDerWaalsContact O-CG1 3.24Å; G43-I47 WeakPolarHBondContact O-CG1 3.4Å; G43-I47 PolarHBondContact O-N 3.13Å |
| 44 | V | 92.6 | Very high | 89.1 | Confident | 86 Ų | 86 | 91.1 Ų | 91.1 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | I40 L41 T42 V46 I47 F48 | I40-V44 HydrophobicContact CG2-CG2 4.44Å; I40-V44 WeakPolarHBondContact O-CG2 3.46Å; I40-V44 PolarHBondContact O-N 2.91Å; L41-V44 PolarHBondContact O-N 3.39Å; T42-V44 PolarHBondContact O-N 2.83Å; V44-V46 PolarHBondContact O-N 3.29Å; V44-I47 PolarHBondContact O-N 3.43Å; V44-F48 VanDerWaalsContact O-CB 3.31Å; V44-F48 WeakPolarHBondContact O-CB 3.44Å; V44-F48 PolarHBondContact O-N 3.47Å |
| 45 | I | 93 | Very high | 88.9 | Confident | 113 Ų | 113 | 94 Ų | 94 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | 177.7 | -68.9 | 164.9 | 0 | 0 | 0 | 110.9 | L41 T42 F48 A49 | L41-I45 WeakPolarHBondContact O-CD1 3.35Å; L41-I45 VanDerWaalsContact O-CG1 3.24Å; L41-I45 WeakPolarHBondContact O-CG1 3.27Å; L41-I45 PolarHBondContact O-N 3.31Å; T42-I45 PolarHBondContact O-N 3.47Å; I45-F48 PolarHBondContact O-N 3.49Å; I45-A49 VanDerWaalsContact O-CB 3.26Å; I45-A49 WeakPolarHBondContact O-CB 3.26Å; I45-A49 PolarHBondContact O-N 3.44Å |
| 46 | V | 93.3 | Very high | 88.6 | Confident | 95 Ų | 95 | 93.6 Ų | 93.6 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65 | -42.6 | 177.3 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | T42 G43 V44 A49 G50 | T42-V46 HydrophobicContact CG2-CG2 4.48Å; T42-V46 VanDerWaalsContact O-CG2 3.28Å; T42-V46 WeakPolarHBondContact O-CG2 2.9Å; T42-V46 PolarHBondContact O-N 3.45Å; G43-V46 PolarHBondContact O-N 3.24Å; V44-V46 PolarHBondContact O-N 3.29Å; V46-A49 PolarHBondContact O-N 3.04Å; V46-G50 PolarHBondContact O-N 2.87Å |
| 47 | I | 90.8 | Very high | 88.1 | Confident | 116 Ų | 116 | 91.1 Ų | 91.1 | 60% | 0.595 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -46.1 | 175.5 | -68.6 | 165.7 | 0 | 0 | 0 | 110.1 | G43 V44 G50 V51 | G43-I47 VanDerWaalsContact O-CG1 3.24Å; G43-I47 WeakPolarHBondContact O-CG1 3.4Å; G43-I47 PolarHBondContact O-N 3.13Å; V44-I47 PolarHBondContact O-N 3.43Å; I47-G50 PolarHBondContact O-N 3.49Å; I47-V51 WeakPolarHBondContact O-CG2 3.08Å; I47-V51 PolarHBondContact O-N 2.87Å |
| 48 | F | 90.2 | Very high | 87 | Confident | 134 Ų | 134 | 88.6 Ų | 88.6 | 59% | 0.588 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.7 | -41.4 | -179.3 | -155.3 | -103.4 | 0 | 0 | 0 | 111.8 | V44 I45 V51 I52 | V44-F48 VanDerWaalsContact O-CB 3.31Å; V44-F48 WeakPolarHBondContact O-CB 3.44Å; V44-F48 PolarHBondContact O-N 3.47Å; I45-F48 PolarHBondContact O-N 3.49Å; F48-V51 PolarHBondContact O-N 3.3Å; F48-I52 HydrophobicContact CD1-CD1 3.52Å; F48-I52 HydrophobicContact CD1-CG1 4.21Å; F48-I52 HydrophobicContact CE1-CD1 3.59Å; F48-I52 HydrophobicContact CE1-CG1 4.22Å; F48-I52 WeakPolarHBondContact O-CG1 3.36Å; F48-I52 PolarHBondContact O-N 2.84Å |
| 49 | A | 87.4 | Confident | 86.2 | Confident | 44 Ų | 44 | 90 Ų | 90 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I45 V46 V51 I52 L53 | I45-A49 VanDerWaalsContact O-CB 3.26Å; I45-A49 WeakPolarHBondContact O-CB 3.26Å; I45-A49 PolarHBondContact O-N 3.44Å; V46-A49 PolarHBondContact O-N 3.04Å; A49-V51 VanDerWaalsContact C-N 3.35Å; A49-V51 PolarHBondContact O-N 3.24Å; A49-I52 PolarHBondContact O-N 3.4Å; A49-L53 WeakPolarHBondContact O-CB 3.33Å; A49-L53 VanDerWaalsContact O-CG 3.27Å; A49-L53 WeakPolarHBondContact O-CG 3.24Å; A49-L53 PolarHBondContact O-N 2.87Å |
| 50 | G | 87.7 | Confident | 85.3 | Confident | 38 Ų | 38 | 94.2 Ų | 94.2 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V46 I47 L54 | V46-G50 PolarHBondContact O-N 2.87Å; I47-G50 PolarHBondContact O-N 3.49Å; G50-L54 VanDerWaalsContact O-CB 3.26Å; G50-L54 WeakPolarHBondContact O-CB 3.47Å; G50-L54 PolarHBondContact O-N 2.99Å |
| 51 | V | 84.4 | Confident | 84 | Confident | 72 Ų | 72 | 92.8 Ų | 92.8 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | I47 F48 A49 L54 L55 | I47-V51 WeakPolarHBondContact O-CG2 3.08Å; I47-V51 PolarHBondContact O-N 2.87Å; F48-V51 PolarHBondContact O-N 3.3Å; A49-V51 VanDerWaalsContact C-N 3.35Å; A49-V51 PolarHBondContact O-N 3.24Å; V51-L54 CarbonylContact O-C 3.55Å; V51-L54 PolarHBondContact O-N 3.04Å; V51-L55 HydrophobicContact CG1-CD1 4.05Å; V51-L55 HydrophobicContact CG1-CG 4.43Å; V51-L55 WeakPolarHBondContact O-CG 3.26Å; V51-L55 PolarHBondContact O-N 2.89Å |
| 52 | I | 83.4 | Confident | 82.5 | Confident | 82 Ų | 82 | 92.5 Ų | 92.5 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 176.6 | -70.5 | 167.9 | 0 | 0 | 0 | 110.4 | F48 A49 L54 L55 E56 | F48-I52 HydrophobicContact CD1-CD1 3.52Å; F48-I52 HydrophobicContact CD1-CG1 4.21Å; F48-I52 HydrophobicContact CE1-CD1 3.59Å; F48-I52 HydrophobicContact CE1-CG1 4.22Å; F48-I52 WeakPolarHBondContact O-CG1 3.36Å; F48-I52 PolarHBondContact O-N 2.84Å; A49-I52 PolarHBondContact O-N 3.4Å; I52-L54 PolarHBondContact O-N 3.38Å; I52-L55 PolarHBondContact O-N 3.21Å; I52-E56 WeakPolarHBondContact O-CB 3.23Å; I52-E56 PolarHBondContact O-N 2.92Å |
| 53 | L | 84.8 | Confident | 81.1 | Confident | 96 Ų | 96 | 91.8 Ų | 91.8 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 176.4 | -75 | 171.5 | 0 | 0 | 0 | 111.1 | A49 L55 Y57 | A49-L53 WeakPolarHBondContact O-CB 3.33Å; A49-L53 VanDerWaalsContact O-CG 3.27Å; A49-L53 WeakPolarHBondContact O-CG 3.24Å; A49-L53 PolarHBondContact O-N 2.87Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 2.84Å; L53-Y57 HydrophobicContact CB-CD2 4.5Å; L53-Y57 HydrophobicContact CD2-CD2 3.78Å; L53-Y57 HydrophobicContact CD2-CE2 3.64Å; L53-Y57 WeakPolarHBondContact O-CA 3.28Å; L53-Y57 VanDerWaalsContact O-CB 3.28Å; L53-Y57 WeakPolarHBondContact O-CB 3.34Å; L53-Y57 WeakPolarHBondContact O-CD2 3.24Å; L53-Y57 PolarHBondContact O-N 2.97Å |
| 54 | L | 82.1 | Confident | 79.8 | Confident | 130 Ų | 130 | 92.7 Ų | 92.7 | 68% | 0.681 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.2 | -23.3 | 177.3 | -160.6 | 132.6 | 0 | 0 | 0 | 112.8 | G50 V51 I52 G58 | G50-L54 VanDerWaalsContact O-CB 3.26Å; G50-L54 WeakPolarHBondContact O-CB 3.47Å; G50-L54 PolarHBondContact O-N 2.99Å; V51-L54 CarbonylContact O-C 3.55Å; V51-L54 PolarHBondContact O-N 3.04Å; I52-L54 PolarHBondContact O-N 3.38Å; L54-G58 WeakPolarHBondContact O-CA 3.26Å; L54-G58 PolarHBondContact O-N 2.98Å |
| 55 | L | 81.8 | Confident | 78.3 | Confident | 128 Ų | 128 | 92.2 Ų | 92.2 | 67% | 0.67 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -80.4 | -42.1 | 172 | -72.9 | 170.5 | 0 | 0 | 0 | 111.9 | V51 I52 L53 | V51-L55 HydrophobicContact CG1-CD1 4.05Å; V51-L55 HydrophobicContact CG1-CG 4.43Å; V51-L55 WeakPolarHBondContact O-CG 3.26Å; V51-L55 PolarHBondContact O-N 2.89Å; I52-L55 PolarHBondContact O-N 3.21Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 2.84Å |
| 56 | E | 79.8 | Confident | 76.7 | Confident | 132 Ų | 132 | 90.8 Ų | 90.8 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -75.9 | -42.2 | -177.6 | -172.2 | 173.3 | -161.2 | 0 | 0 | 111.9 | I52 | I52-E56 WeakPolarHBondContact O-CB 3.23Å; I52-E56 PolarHBondContact O-N 2.92Å |
| 57 | Y | 78.4 | Confident | 75.2 | Confident | 107 Ų | 107 | 90.6 Ų | 90.6 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -3.5 | -179.3 | -59.1 | -88.1 | 0 | 0 | 0 | 112.9 | L53 D59 Q60 V61 | L53-Y57 HydrophobicContact CB-CD2 4.5Å; L53-Y57 HydrophobicContact CD2-CD2 3.78Å; L53-Y57 HydrophobicContact CD2-CE2 3.64Å; L53-Y57 WeakPolarHBondContact O-CA 3.28Å; L53-Y57 VanDerWaalsContact O-CB 3.28Å; L53-Y57 WeakPolarHBondContact O-CB 3.34Å; L53-Y57 WeakPolarHBondContact O-CD2 3.24Å; L53-Y57 PolarHBondContact O-N 2.97Å; Y57-D59 VanDerWaalsContact C-N 3.32Å; Y57-D59 PolarHBondContact O-N 3.34Å; Y57-Q60 WeakPolarHBondContact O-CB 3.31Å; Y57-Q60 PolarHBondContact O-N 2.77Å; Y57-Q60 VanDerWaalsContact O-N 3.09Å; Y57-V61 WeakPolarHBondContact O-CG2 3.5Å; Y57-V61 PolarHBondContact O-N 3.05Å |
| 58 | G | 68.9 | Low | 73.7 | Confident | 12 Ų | 12 | 95.2 Ų | 95.2 | 12% | 0.124 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -58 | -44.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L54 Q60 V61 M62 | L54-G58 WeakPolarHBondContact O-CA 3.26Å; L54-G58 PolarHBondContact O-N 2.98Å; G58-Q60 VanDerWaalsContact C-N 3.27Å; G58-Q60 PolarHBondContact O-N 3.04Å; G58-V61 PolarHBondContact O-N 3.03Å; G58-M62 VanDerWaalsContact O-CB 3.3Å; G58-M62 WeakPolarHBondContact O-CB 3.29Å; G58-M62 VanDerWaalsContact O-CG 3.25Å; G58-M62 WeakPolarHBondContact O-CG 3.27Å; G58-M62 PolarHBondContact O-N 2.83Å |
| 59 | D | 72.5 | Confident | 72.2 | Confident | 137 Ų | 137 | 90.7 Ų | 90.7 | 73% | 0.733 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.8 | -39.8 | 176.3 | -75.2 | -11 | 0 | 0 | 0 | 111.3 | Y57 A63 | Y57-D59 VanDerWaalsContact C-N 3.32Å; Y57-D59 PolarHBondContact O-N 3.34Å; D59-A63 WeakPolarHBondContact O-CB 3.19Å; D59-A63 PolarHBondContact O-N 2.81Å |
| 60 | Q | 72.9 | Confident | 70.8 | Confident | 132 Ų | 132 | 91.4 Ų | 91.4 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.5 | -41.1 | 177.4 | -169.1 | 176.7 | 9.8 | 0 | 0 | 111.9 | Y57 G58 S64 | Y57-Q60 WeakPolarHBondContact O-CB 3.31Å; Y57-Q60 PolarHBondContact O-N 2.77Å; Y57-Q60 VanDerWaalsContact O-N 3.09Å; G58-Q60 VanDerWaalsContact C-N 3.27Å; G58-Q60 PolarHBondContact O-N 3.04Å; Q60-S64 WeakPolarHBondContact O-CB 3.29Å; Q60-S64 PolarHBondContact O-N 2.98Å |
| 61 | V | 63.9 | Low | 69.5 | Low | 77 Ų | 77 | 97.3 Ų | 97.3 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -48.6 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 110 | Y57 G58 A63 S64 I65 | Y57-V61 WeakPolarHBondContact O-CG2 3.5Å; Y57-V61 PolarHBondContact O-N 3.05Å; G58-V61 PolarHBondContact O-N 3.03Å; V61-A63 PolarHBondContact O-N 2.98Å; V61-S64 PolarHBondContact O-N 3.35Å; V61-S64 VanDerWaalsContact O-N 3.15Å; V61-S64 PolarHBondContact O-OG 2.82Å; V61-I65 HydrophobicContact CG1-CD1 3.8Å; V61-I65 HydrophobicContact CG1-CG1 4.46Å; V61-I65 VanDerWaalsContact O-CG1 3.31Å; V61-I65 WeakPolarHBondContact O-CG1 3.46Å; V61-I65 PolarHBondContact O-N 3.36Å |
| 62 | M | 60.5 | Low | 68.3 | Low | 105 Ų | 105 | 100.4 Ų | 100.4 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 177.3 | -71.2 | -59.6 | -68.8 | 0 | 0 | 111.9 | G58 S64 I65 N66 | G58-M62 VanDerWaalsContact O-CB 3.3Å; G58-M62 WeakPolarHBondContact O-CB 3.29Å; G58-M62 VanDerWaalsContact O-CG 3.25Å; G58-M62 WeakPolarHBondContact O-CG 3.27Å; G58-M62 PolarHBondContact O-N 2.83Å; M62-S64 VanDerWaalsContact C-N 3.34Å; M62-S64 PolarHBondContact O-N 2.91Å; M62-I65 PolarHBondContact O-N 3.47Å; M62-I65 HydrophobicContact SD-CD1 4.47Å; M62-N66 WeakPolarHBondContact O-CB 3.29Å; M62-N66 PolarHBondContact O-N 2.83Å; M62-N66 PolarHBondContact O-ND2 2.93Å |
| 63 | A | 63.6 | Low | 67 | Low | 60 Ų | 60 | 97.3 Ų | 97.3 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D59 V61 N66 S67 | D59-A63 WeakPolarHBondContact O-CB 3.19Å; D59-A63 PolarHBondContact O-N 2.81Å; V61-A63 PolarHBondContact O-N 2.98Å; A63-N66 PolarHBondContact O-N 3.35Å; A63-S67 WeakPolarHBondContact O-CB 3.4Å; A63-S67 PolarHBondContact O-N 3.18Å |
| 64 | S | 64.8 | Low | 65.5 | Low | 51 Ų | 51 | 99 Ų | 99 | 36% | 0.357 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 176.5 | 80.7 | 0 | 0 | 0 | 0 | 112.4 | Q60 V61 M62 S67 R68 | Q60-S64 WeakPolarHBondContact O-CB 3.29Å; Q60-S64 PolarHBondContact O-N 2.98Å; V61-S64 PolarHBondContact O-N 3.35Å; V61-S64 VanDerWaalsContact O-N 3.15Å; V61-S64 PolarHBondContact O-OG 2.82Å; M62-S64 VanDerWaalsContact C-N 3.34Å; M62-S64 PolarHBondContact O-N 2.91Å; S64-S67 PolarHBondContact O-N 3.5Å; S64-S67 PolarHBondContact O-OG 2.73Å; S64-R68 WeakPolarHBondContact O-CG 3.28Å; S64-R68 PolarHBondContact O-N 3.09Å |
| 65 | I | 61.1 | Low | 64.1 | Low | 76 Ų | 76 | 99.4 Ų | 99.4 | 39% | 0.39 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -50.3 | 175.1 | -67.5 | 166.4 | 0 | 0 | 0 | 109.4 | V61 M62 S67 R68 L69 | V61-I65 HydrophobicContact CG1-CD1 3.8Å; V61-I65 HydrophobicContact CG1-CG1 4.46Å; V61-I65 VanDerWaalsContact O-CG1 3.31Å; V61-I65 WeakPolarHBondContact O-CG1 3.46Å; V61-I65 PolarHBondContact O-N 3.36Å; M62-I65 PolarHBondContact O-N 3.47Å; M62-I65 HydrophobicContact SD-CD1 4.47Å; I65-S67 PolarHBondContact O-N 2.88Å; I65-S67 VanDerWaalsContact O-N 3.17Å; I65-R68 PolarHBondContact O-N 3.28Å; I65-L69 HydrophobicContact CG2-CD1 3.89Å; I65-L69 HydrophobicContact CG2-CG 4.11Å; I65-L69 WeakPolarHBondContact O-CG 3.31Å; I65-L69 PolarHBondContact O-N 3.02Å |
| 66 | N | 59.3 | Low | 62.8 | Low | 83 Ų | 83 | 96.7 Ų | 96.7 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.5 | -27.7 | 176.8 | -76.1 | -22.4 | 0 | 0 | 0 | 113.7 | M62 A63 | M62-N66 WeakPolarHBondContact O-CB 3.29Å; M62-N66 PolarHBondContact O-N 2.83Å; M62-N66 PolarHBondContact O-ND2 2.93Å; A63-N66 PolarHBondContact O-N 3.35Å |
| 67 | S | 61.3 | Low | 61.2 | Low | 90 Ų | 90 | 98 Ų | 98 | 63% | 0.629 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -76.4 | -29 | 175 | 76.3 | 0 | 0 | 0 | 0 | 113.6 | A63 S64 I65 | A63-S67 WeakPolarHBondContact O-CB 3.4Å; A63-S67 PolarHBondContact O-N 3.18Å; S64-S67 PolarHBondContact O-N 3.5Å; S64-S67 PolarHBondContact O-OG 2.73Å; I65-S67 PolarHBondContact O-N 2.88Å; I65-S67 VanDerWaalsContact O-N 3.17Å |
| 68 | R | 58.1 | Low | 59.9 | Low | 213 Ų | 213 | 98.5 Ų | 98.5 | 80% | 0.804 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -92.8 | -16.9 | 179.7 | -67.4 | 178.8 | -176.8 | -157.4 | 1.3 | 113 | S64 I65 | S64-R68 WeakPolarHBondContact O-CG 3.28Å; S64-R68 PolarHBondContact O-N 3.09Å; I65-R68 PolarHBondContact O-N 3.28Å |
| 69 | L | 58.9 | Low | 58.8 | Low | 40 Ų | 40 | 102 Ų | 102 | 21% | 0.209 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -66 | 123.9 | 177.4 | -85 | 173.5 | 0 | 0 | 0 | 109.8 | I65 T73 I92 | I65-L69 HydrophobicContact CG2-CD1 3.89Å; I65-L69 HydrophobicContact CG2-CG 4.11Å; I65-L69 WeakPolarHBondContact O-CG 3.31Å; I65-L69 PolarHBondContact O-N 3.02Å; L69-T73 WeakPolarHBondContact CB-OG1 3.24Å; L69-T73 HydrophobicContact CD2-CG2 4.22Å; L69-I92 HydrophobicContact CD2-CG2 3.34Å |
| 70 | P | 58.4 | Low | 57.5 | Low | 59 Ų | 59 | 100.4 Ų | 100.4 | 38% | 0.383 | 54% | 0.538 | S | S | . | . | trans | -62.8 | 144.6 | 178.7 | 27.3 | -35.4 | 0 | 0 | 0 | 110.4 | W72 T73 | P70-W72 HydrophobicContact CG-CD2 4.47Å; P70-W72 HydrophobicContact CG-CG 4.47Å; P70-W72 HydrophobicContact CG-CZ2 4.11Å; P70-W72 PolarHBondContact O-N 3.17Å; P70-T73 HydrophobicContact CG-CG2 4.17Å; P70-T73 PolarHBondContact O-N 3.31Å; P70-T73 PolarHBondContact O-OG1 2.87Å | ||
| 71 | E | 60.3 | Low | 56 | Low | 161 Ų | 161 | 98.4 Ų | 98.4 | 75% | 0.752 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -52 | -29 | -169.5 | -69.9 | -170.5 | 155.5 | 0 | 0 | 114.5 | T73 K74 | E71-T73 VanDerWaalsContact C-N 3.25Å; E71-T73 PolarHBondContact O-N 3.32Å; E71-K74 PolarHBondContact O-N 3.06Å |
| 72 | W | 59.8 | Low | 54.9 | Low | 137 Ų | 137 | 102.8 Ų | 102.8 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -61.9 | -29.1 | 177.6 | 66.4 | -98.6 | 0 | 0 | 0 | 113.9 | P70 I76 I92 | P70-W72 HydrophobicContact CG-CD2 4.47Å; P70-W72 HydrophobicContact CG-CG 4.47Å; P70-W72 HydrophobicContact CG-CZ2 4.11Å; P70-W72 PolarHBondContact O-N 3.17Å; W72-I76 HydrophobicContact CE3-CD1 4.02Å; W72-I76 HydrophobicContact CZ3-CD1 3.79Å; W72-I92 HydrophobicContact CH2-CD1 3.7Å; W72-I92 HydrophobicContact CH2-CG1 3.96Å; W72-I92 HydrophobicContact CZ2-CD1 4.47Å; W72-I92 HydrophobicContact CZ2-CG1 4.4Å; W72-I92 HydrophobicContact CZ3-CD1 4.28Å |
| 73 | T | 56.5 | Low | 54.3 | Low | 17 Ų | 17 | 105.8 Ų | 105.8 | 10% | 0.104 | 56% | 0.556 | C | S | . | * | G | 310 helix | trans | -75.3 | -23.2 | 179.6 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | L69 P70 E71 N75 I76 I92 | L69-T73 WeakPolarHBondContact CB-OG1 3.24Å; L69-T73 HydrophobicContact CD2-CG2 4.22Å; P70-T73 HydrophobicContact CG-CG2 4.17Å; P70-T73 PolarHBondContact O-N 3.31Å; P70-T73 PolarHBondContact O-OG1 2.87Å; E71-T73 VanDerWaalsContact C-N 3.25Å; E71-T73 PolarHBondContact O-N 3.32Å; T73-N75 PolarHBondContact O-N 3.35Å; T73-I76 PolarHBondContact O-N 3.21Å; T73-I92 HydrophobicContact CG2-CD1 3.77Å |
| 74 | K | 52.9 | Low | 53.4 | Low | 131 Ų | 131 | 105.9 Ų | 105.9 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -70.5 | -20.3 | 179 | -64.9 | 179.5 | -177.8 | 172.3 | 0 | 112.8 | E71 I76 | E71-K74 PolarHBondContact O-N 3.06Å; K74-I76 VanDerWaalsContact C-N 3.3Å |
| 75 | N | 52.7 | Low | 52.5 | Low | 140 Ų | 140 | 108 Ų | 108 | 75% | 0.749 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -85.2 | -4.4 | 176.7 | -62.4 | -34.8 | 0 | 0 | 0 | 112.9 | T73 E77 | T73-N75 PolarHBondContact O-N 3.35Å; N75-E77 PolarHBondContact O-N 2.73Å |
| 76 | I | 54.8 | Low | 51.3 | Low | 71 Ų | 71 | 110 Ų | 110 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -88.6 | 95.4 | 178 | -51.9 | 176.2 | 0 | 0 | 0 | 107.4 | W72 T73 K74 P78 M81 | W72-I76 HydrophobicContact CE3-CD1 4.02Å; W72-I76 HydrophobicContact CZ3-CD1 3.79Å; T73-I76 PolarHBondContact O-N 3.21Å; K74-I76 VanDerWaalsContact C-N 3.3Å; I76-P78 WeakPolarHBondContact O-CD 3.33Å; I76-M81 HydrophobicContact CG2-CE 3.43Å; I76-M81 VanDerWaalsContact CG2-CE 3.43Å |
| 77 | E | 45.5 | Very low | 50.7 | Low | 160 Ų | 160 | 108.9 Ų | 108.9 | 75% | 0.748 | 58% | 0.576 | S | S | * | * | trans | -57.8 | 121.5 | 174.3 | -163.2 | 171 | -163 | 0 | 0 | 109.4 | N75 A79 | N75-E77 PolarHBondContact O-N 2.73Å; E77-A79 HydrophobicContact CG-CB 4.29Å; E77-A79 PolarHBondContact O-N 3.47Å | ||
| 78 | P | 51.6 | Low | 49.9 | Very low | 117 Ų | 117 | 109.5 Ų | 109.5 | 76% | 0.76 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -72.3 | 1.8 | -174 | 27.4 | -34.3 | 0 | 0 | 0 | 113.9 | I76 S80 | I76-P78 WeakPolarHBondContact O-CD 3.33Å; P78-S80 PolarHBondContact O-N 3.49Å |
| 79 | A | 45.2 | Very low | 49.1 | Very low | 85 Ų | 85 | 101.8 Ų | 101.8 | 70% | 0.702 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -84.1 | -0.9 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | E77 | E77-A79 HydrophobicContact CG-CB 4.29Å; E77-A79 PolarHBondContact O-N 3.47Å |
| 80 | S | 45.6 | Very low | 48.3 | Very low | 103 Ų | 103 | 104.4 Ų | 104.4 | 72% | 0.72 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -149.1 | 28.3 | 178.4 | 85.6 | 0 | 0 | 0 | 0 | 116.4 | P78 K82 | P78-S80 PolarHBondContact O-N 3.49Å; S80-K82 PolarHBondContact O-N 2.81Å |
| 81 | M | 41.5 | Very low | 47.6 | Very low | 91 Ų | 91 | 108.4 Ų | 108.4 | 45% | 0.448 | 58% | 0.575 | S | S | . | * | trans | -67.4 | 105 | 171.5 | -73.8 | -174 | 176.7 | 0 | 0 | 109 | I76 V89 | I76-M81 HydrophobicContact CG2-CE 3.43Å; I76-M81 VanDerWaalsContact CG2-CE 3.43Å; M81-V89 HydrophobicContact CE-CG2 3.9Å; M81-V89 HydrophobicContact SD-CG2 3.8Å | ||
| 82 | K | 41.6 | Very low | 46.7 | Very low | 168 Ų | 168 | 103.4 Ų | 103.4 | 73% | 0.73 | 55% | 0.553 | S | S | * | * | trans | -60.8 | 146.6 | 166.2 | -68.9 | -178.9 | 178.8 | 177.8 | 0 | 106.9 | S80 G84 D85 | S80-K82 PolarHBondContact O-N 2.81Å; K82-G84 PolarHBondContact O-N 3.41Å; K82-D85 PolarHBondContact O-N 2.87Å | ||
| 83 | Q | 47.7 | Very low | 45.8 | Very low | 169 Ų | 169 | 102.8 Ų | 102.8 | 79% | 0.79 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | -17.3 | -179.8 | -164.9 | 169 | -14 | 0 | 0 | 113.9 | ||
| 84 | G | 44.7 | Very low | 45.2 | Very low | 61 Ų | 61 | 103.6 Ų | 103.6 | 63% | 0.629 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -13.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | K82 M86 P87 | K82-G84 PolarHBondContact O-N 3.41Å; G84-M86 VanDerWaalsContact C-N 3.31Å; G84-P87 VanDerWaalsContact O-CD 3.23Å; G84-P87 WeakPolarHBondContact O-CD 3.35Å |
| 85 | D | 44 | Very low | 44.7 | Very low | 95 Ų | 95 | 100.2 Ų | 100.2 | 51% | 0.508 | 56% | 0.559 | S | S | . | * | trans | -91.1 | 6.2 | 178 | -69.5 | -29.7 | 0 | 0 | 0 | 113.1 | K82 P87 | K82-D85 PolarHBondContact O-N 2.87Å; D85-P87 VanDerWaalsContact C-N 3.31Å; D85-P87 VanDerWaalsContact O-CD 3.26Å; D85-P87 WeakPolarHBondContact O-CD 3.47Å | ||
| 86 | M | 36.7 | Very low | 44.5 | Very low | 118 Ų | 118 | 98.1 Ų | 98.1 | 58% | 0.581 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.6 | 0.5 | 176.1 | -147.2 | 161 | 137.7 | 0 | 0 | 116.8 | G84 L90 | G84-M86 VanDerWaalsContact C-N 3.31Å; M86-L90 HydrophobicContact CE-CD1 4.41Å |
| 87 | P | 47.4 | Very low | 44.2 | Very low | 61 Ų | 61 | 102.5 Ų | 102.5 | 40% | 0.396 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.8 | -31.3 | 168.6 | -14.2 | 27.8 | 0 | 0 | 0 | 113.9 | G84 D85 | G84-P87 VanDerWaalsContact O-CD 3.23Å; G84-P87 WeakPolarHBondContact O-CD 3.35Å; D85-P87 VanDerWaalsContact C-N 3.31Å; D85-P87 VanDerWaalsContact O-CD 3.26Å; D85-P87 WeakPolarHBondContact O-CD 3.47Å |
| 88 | L | 45 | Very low | 44.1 | Very low | 102 Ų | 102 | 99.3 Ų | 99.3 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -77.8 | -36.3 | -174.2 | -108.5 | 85.8 | 0 | 0 | 0 | 112.8 | L90 Q91 I92 | L88-L90 PolarHBondContact O-N 3.38Å; L88-Q91 WeakPolarHBondContact O-CB 3.44Å; L88-Q91 PolarHBondContact O-N 3.18Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 3.43Å |
| 89 | V | 40.6 | Very low | 43.9 | Very low | 52 Ų | 52 | 96.8 Ų | 96.8 | 32% | 0.315 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71 | -33.1 | -176.2 | -176.5 | 0 | 0 | 0 | 0 | 112 | M81 Q91 I92 I93 | M81-V89 HydrophobicContact CE-CG2 3.9Å; M81-V89 HydrophobicContact SD-CG2 3.8Å; V89-Q91 VanDerWaalsContact C-N 3.29Å; V89-Q91 PolarHBondContact O-N 2.84Å; V89-I92 WeakPolarHBondContact O-CB 3.5Å; V89-I92 PolarHBondContact O-N 3.32Å; V89-I92 VanDerWaalsContact O-N 3.13Å; V89-I93 PolarHBondContact O-N 3.38Å |
| 90 | L | 41.9 | Very low | 44 | Very low | 94 Ų | 94 | 100.3 Ų | 100.3 | 49% | 0.492 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.5 | -26.3 | 175.1 | -98.2 | 144.5 | 0 | 0 | 0 | 112.8 | M86 L88 I92 I93 A94 | M86-L90 HydrophobicContact CE-CD1 4.41Å; L88-L90 PolarHBondContact O-N 3.38Å; L90-I92 PolarHBondContact O-N 2.8Å; L90-I93 PolarHBondContact O-N 3.28Å; L90-A94 PolarHBondContact O-N 2.79Å |
| 91 | Q | 43 | Very low | 44.2 | Very low | 144 Ų | 144 | 98.3 Ų | 98.3 | 67% | 0.673 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.2 | -24.8 | 171.6 | -146.7 | 173.1 | 14.5 | 0 | 0 | 112.1 | L88 V89 | L88-Q91 WeakPolarHBondContact O-CB 3.44Å; L88-Q91 PolarHBondContact O-N 3.18Å; V89-Q91 VanDerWaalsContact C-N 3.29Å; V89-Q91 PolarHBondContact O-N 2.84Å |
| 92 | I | 42.8 | Very low | 44.5 | Very low | 56 Ų | 56 | 97 Ų | 97 | 29% | 0.287 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -82.3 | -30.7 | 178.9 | -59 | 165.4 | 0 | 0 | 0 | 111.8 | L69 W72 T73 L88 V89 L90 | L69-I92 HydrophobicContact CD2-CG2 3.34Å; W72-I92 HydrophobicContact CH2-CD1 3.7Å; W72-I92 HydrophobicContact CH2-CG1 3.96Å; W72-I92 HydrophobicContact CZ2-CD1 4.47Å; W72-I92 HydrophobicContact CZ2-CG1 4.4Å; W72-I92 HydrophobicContact CZ3-CD1 4.28Å; T73-I92 HydrophobicContact CG2-CD1 3.77Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 3.43Å; V89-I92 WeakPolarHBondContact O-CB 3.5Å; V89-I92 PolarHBondContact O-N 3.32Å; V89-I92 VanDerWaalsContact O-N 3.13Å; L90-I92 PolarHBondContact O-N 2.8Å |
| 93 | I | 41 | Very low | 45.2 | Very low | 123 Ų | 123 | 94 Ų | 94 | 63% | 0.631 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -83.3 | -22.7 | -179.9 | -59.3 | 172.1 | 0 | 0 | 0 | 111.8 | V89 L90 P95 | V89-I93 PolarHBondContact O-N 3.38Å; L90-I93 PolarHBondContact O-N 3.28Å; I93-P95 WeakPolarHBondContact O-CD 3.31Å |
| 94 | A | 43.5 | Very low | 45.4 | Very low | 35 Ų | 35 | 92.9 Ų | 92.9 | 29% | 0.289 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -58.8 | 114.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | L90 | L90-A94 PolarHBondContact O-N 2.79Š|
| 95 | P | 41.7 | Very low | 45.5 | Very low | 59 Ų | 59 | 93 Ų | 93 | 38% | 0.383 | 51% | 0.513 | S | S | . | . | trans | -51.1 | 140.6 | 173.5 | -23.4 | 31.2 | 0 | 0 | 0 | 108.8 | I93 Q97 F98 | I93-P95 WeakPolarHBondContact O-CD 3.31Å; P95-Q97 PolarHBondContact O-N 2.86Å; P95-F98 HydrophobicContact CB-CD2 4.06Å; P95-F98 HydrophobicContact CB-CE2 4.37Å; P95-F98 HydrophobicContact CG-CD2 3.97Å; P95-F98 HydrophobicContact CG-CE2 3.95Å; P95-F98 PolarHBondContact O-N 3.45Å | ||
| 96 | P | 48.7 | Very low | 45.9 | Very low | 96 Ų | 96 | 91.9 Ų | 91.9 | 62% | 0.623 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -52 | -23.5 | -177 | 15.1 | -28.7 | 0 | 0 | 0 | 113.5 | F98 A99 E100 | P96-F98 PolarHBondContact O-N 3.24Å; P96-F98 VanDerWaalsContact O-N 3.11Å; P96-A99 PolarHBondContact O-N 2.67Å; P96-A99 VanDerWaalsContact O-N 3.13Å; P96-E100 PolarHBondContact O-N 3.5Å |
| 97 | Q | 48.5 | Very low | 46.9 | Very low | 164 Ų | 164 | 92 Ų | 92 | 77% | 0.766 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -55.2 | -23.1 | 171.9 | -50.2 | -174 | 28.7 | 0 | 0 | 114.8 | P95 | P95-Q97 PolarHBondContact O-N 2.86Š|
| 98 | F | 43.6 | Very low | 47.2 | Very low | 92 Ų | 92 | 93.7 Ų | 93.7 | 40% | 0.404 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -93.4 | -22.7 | 178.6 | -71.6 | -83.3 | 0 | 0 | 0 | 113.8 | P95 P96 I105 | P95-F98 HydrophobicContact CB-CD2 4.06Å; P95-F98 HydrophobicContact CB-CE2 4.37Å; P95-F98 HydrophobicContact CG-CD2 3.97Å; P95-F98 HydrophobicContact CG-CE2 3.95Å; P95-F98 PolarHBondContact O-N 3.45Å; P96-F98 PolarHBondContact O-N 3.24Å; P96-F98 VanDerWaalsContact O-N 3.11Å; F98-I105 HydrophobicContact CD1-CD1 4.31Å; F98-I105 HydrophobicContact CD1-CG2 4Å |
| 99 | A | 47.4 | Very low | 47.6 | Very low | 65 Ų | 65 | 93 Ų | 93 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -37.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P96 | P96-A99 PolarHBondContact O-N 2.67Å; P96-A99 VanDerWaalsContact O-N 3.13Å |
| 100 | E | 48.1 | Very low | 48.5 | Very low | 159 Ų | 159 | 95.6 Ų | 95.6 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -89.4 | -14.8 | -172 | -70.7 | 176.6 | 175.6 | 0 | 0 | 114.4 | P96 | P96-E100 PolarHBondContact O-N 3.5Š|
| 101 | G | 49.6 | Very low | 49.2 | Very low | 60 Ų | 60 | 95 Ų | 95 | 62% | 0.619 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -104.2 | -26.1 | -163.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 102 | N | 47.4 | Very low | 49.8 | Very low | 64 Ų | 64 | 90.8 Ų | 90.8 | 34% | 0.342 | 51% | 0.509 | S | S | . | . | trans | -162.1 | 106.5 | -172.3 | -161.6 | -22.6 | 0 | 0 | 0 | 113.1 | K104 I105 | N102-K104 PolarHBondContact O-N 3.34Å; N102-K104 VanDerWaalsContact OD1-CB 3.24Å; N102-K104 WeakPolarHBondContact OD1-CB 3.36Å; N102-K104 PolarHBondContact OD1-N 2.9Å; N102-I105 HydrophobicContact CB-CB 4.49Å; N102-I105 HydrophobicContact CB-CD1 3.86Å; N102-I105 HydrophobicContact CB-CG1 3.92Å; N102-I105 PolarHBondContact O-N 3.32Å | ||
| 103 | P | 55 | Low | 50.4 | Low | 104 Ų | 104 | 91.1 Ų | 91.1 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.9 | -22.4 | 177.2 | 23.6 | -33 | 0 | 0 | 0 | 112.6 | Q107 | P103-Q107 WeakPolarHBondContact O-CB 3.34Å; P103-Q107 PolarHBondContact O-N 2.89Å |
| 104 | K | 52.2 | Low | 51 | Low | 146 Ų | 146 | 90.4 Ų | 90.4 | 64% | 0.635 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.2 | -31.5 | 175.8 | -61.5 | -177.3 | 177.4 | 178 | 0 | 113 | N102 Q107 V108 | N102-K104 PolarHBondContact O-N 3.34Å; N102-K104 VanDerWaalsContact OD1-CB 3.24Å; N102-K104 WeakPolarHBondContact OD1-CB 3.36Å; N102-K104 PolarHBondContact OD1-N 2.9Å; K104-Q107 PolarHBondContact O-N 3.25Å; K104-V108 VanDerWaalsContact O-CG2 3.29Å; K104-V108 WeakPolarHBondContact O-CG2 3.12Å; K104-V108 PolarHBondContact O-N 3.5Å |
| 105 | I | 48 | Very low | 51.5 | Low | 65 Ų | 65 | 96.3 Ų | 96.3 | 33% | 0.333 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.8 | -41.3 | 178.5 | -61.1 | 173.3 | 0 | 0 | 0 | 109.8 | F98 N102 Q107 V108 L109 | F98-I105 HydrophobicContact CD1-CD1 4.31Å; F98-I105 HydrophobicContact CD1-CG2 4Å; N102-I105 HydrophobicContact CB-CB 4.49Å; N102-I105 HydrophobicContact CB-CD1 3.86Å; N102-I105 HydrophobicContact CB-CG1 3.92Å; N102-I105 PolarHBondContact O-N 3.32Å; I105-Q107 VanDerWaalsContact C-N 3.28Å; I105-Q107 PolarHBondContact O-N 2.93Å; I105-V108 PolarHBondContact O-N 3.15Å; I105-L109 HydrophobicContact CG2-CD1 4.04Å; I105-L109 WeakPolarHBondContact O-CB 3.24Å; I105-L109 PolarHBondContact O-N 3.06Å |
| 106 | L | 52.3 | Low | 51.9 | Low | 71 Ų | 71 | 96.6 Ų | 96.6 | 37% | 0.372 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.3 | -41.6 | 171 | -69.2 | 172.8 | 0 | 0 | 0 | 111.1 | L109 L110 | L106-L109 PolarHBondContact O-N 3.18Å; L106-L110 VanDerWaalsContact O-CB 3.29Å; L106-L110 WeakPolarHBondContact O-CB 3.16Å; L106-L110 VanDerWaalsContact O-CG 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.43Å; L106-L110 PolarHBondContact O-N 3.39Å |
| 107 | Q | 57.2 | Low | 52 | Low | 119 Ų | 119 | 96.4 Ų | 96.4 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.4 | -39.5 | 177.3 | -161.8 | 178.7 | 25.1 | 0 | 0 | 112.8 | P103 K104 I105 N111 | P103-Q107 WeakPolarHBondContact O-CB 3.34Å; P103-Q107 PolarHBondContact O-N 2.89Å; K104-Q107 PolarHBondContact O-N 3.25Å; I105-Q107 VanDerWaalsContact C-N 3.28Å; I105-Q107 PolarHBondContact O-N 2.93Å; Q107-N111 WeakPolarHBondContact O-CB 3.42Å; Q107-N111 PolarHBondContact O-N 3.42Å; Q107-N111 PolarHBondContact O-ND2 3.44Å |
| 108 | V | 53.9 | Low | 51.9 | Low | 97 Ų | 97 | 93.3 Ų | 93.3 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.5 | -41.3 | 174.9 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | K104 I105 N111 A112 | K104-V108 VanDerWaalsContact O-CG2 3.29Å; K104-V108 WeakPolarHBondContact O-CG2 3.12Å; K104-V108 PolarHBondContact O-N 3.5Å; I105-V108 PolarHBondContact O-N 3.15Å; V108-N111 PolarHBondContact O-N 3.2Å; V108-A112 VanDerWaalsContact O-CB 3.27Å; V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 3.46Å |
| 109 | L | 53.3 | Low | 52.2 | Low | 87 Ų | 87 | 92.8 Ų | 92.8 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 174.6 | -86.5 | 161.7 | 0 | 0 | 0 | 111.7 | I105 L106 N111 A112 Q113 | I105-L109 HydrophobicContact CG2-CD1 4.04Å; I105-L109 WeakPolarHBondContact O-CB 3.24Å; I105-L109 PolarHBondContact O-N 3.06Å; L106-L109 PolarHBondContact O-N 3.18Å; L109-N111 VanDerWaalsContact C-N 3.31Å; L109-N111 PolarHBondContact O-N 3.41Å; L109-A112 PolarHBondContact O-N 3.22Å; L109-Q113 VanDerWaalsContact O-CB 3.28Å; L109-Q113 WeakPolarHBondContact O-CB 3.44Å; L109-Q113 PolarHBondContact O-N 3.41Å |
| 110 | L | 59.9 | Low | 52 | Low | 107 Ų | 107 | 96 Ų | 96 | 56% | 0.56 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.2 | -40.1 | 174.8 | -78.5 | 165.5 | 0 | 0 | 0 | 111.5 | L106 K114 | L106-L110 VanDerWaalsContact O-CB 3.29Å; L106-L110 WeakPolarHBondContact O-CB 3.16Å; L106-L110 VanDerWaalsContact O-CG 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.43Å; L106-L110 PolarHBondContact O-N 3.39Å; L110-K114 WeakPolarHBondContact O-CB 3.43Å; L110-K114 PolarHBondContact O-N 2.87Å |
| 111 | N | 55.2 | Low | 51.3 | Low | 82 Ų | 82 | 96.3 Ų | 96.3 | 44% | 0.439 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 176 | -76.1 | -24.7 | 0 | 0 | 0 | 112.3 | Q107 V108 L109 K115 | Q107-N111 WeakPolarHBondContact O-CB 3.42Å; Q107-N111 PolarHBondContact O-N 3.42Å; Q107-N111 PolarHBondContact O-ND2 3.44Å; V108-N111 PolarHBondContact O-N 3.2Å; L109-N111 VanDerWaalsContact C-N 3.31Å; L109-N111 PolarHBondContact O-N 3.41Å; N111-K115 WeakPolarHBondContact O-CB 3.38Å; N111-K115 VanDerWaalsContact O-CG 3.31Å; N111-K115 WeakPolarHBondContact O-CG 3.22Å; N111-K115 PolarHBondContact O-N 3.24Å |
| 112 | A | 56.1 | Low | 50.6 | Low | 55 Ų | 55 | 102 Ų | 102 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V108 L109 K115 A116 | V108-A112 VanDerWaalsContact O-CB 3.27Å; V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 3.46Å; L109-A112 PolarHBondContact O-N 3.22Å; A112-K115 PolarHBondContact O-N 3.37Å; A112-A116 WeakPolarHBondContact O-CB 3.26Å; A112-A116 PolarHBondContact O-N 3.43Å |
| 113 | Q | 55.5 | Low | 50.1 | Low | 63 Ų | 63 | 104.2 Ų | 104.2 | 29% | 0.294 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.8 | -47.7 | 174.2 | -171.9 | -175.1 | 8.4 | 0 | 0 | 110.6 | L109 K115 A116 T117 | L109-Q113 VanDerWaalsContact O-CB 3.28Å; L109-Q113 WeakPolarHBondContact O-CB 3.44Å; L109-Q113 PolarHBondContact O-N 3.41Å; Q113-K115 VanDerWaalsContact C-N 3.29Å; Q113-K115 PolarHBondContact O-N 3.39Å; Q113-A116 CarbonylContact O-C 3.54Å; Q113-A116 WeakPolarHBondContact O-CA 3.24Å; Q113-A116 WeakPolarHBondContact O-CB 3.47Å; Q113-A116 PolarHBondContact O-N 3.11Å; Q113-T117 PolarHBondContact O-N 2.85Å; Q113-T117 PolarHBondContact O-OG1 3.3Å |
| 114 | K | 53.4 | Low | 49.1 | Very low | 108 Ų | 108 | 107.7 Ų | 107.7 | 47% | 0.47 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.4 | -39.4 | 175.6 | -171.5 | 176.8 | -177.3 | 176.2 | 0 | 111.7 | L110 T117 L118 | L110-K114 WeakPolarHBondContact O-CB 3.43Å; L110-K114 PolarHBondContact O-N 2.87Å; K114-T117 WeakPolarHBondContact CA-OG1 3.41Å; K114-T117 PolarHBondContact O-OG1 3.36Å; K114-L118 HydrophobicContact CG-CD1 3.99Å; K114-L118 HydrophobicContact CG-CG 4.46Å; K114-L118 VanDerWaalsContact O-CB 3.24Å; K114-L118 WeakPolarHBondContact O-CB 3.46Å; K114-L118 WeakPolarHBondContact O-CD1 3.4Å; K114-L118 WeakPolarHBondContact O-CG 3.4Å; K114-L118 PolarHBondContact O-N 2.89Å |
| 115 | K | 54 | Low | 48.4 | Very low | 159 Ų | 159 | 106.1 Ų | 106.1 | 69% | 0.691 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.6 | -36.2 | 173.2 | -79.7 | -178.4 | 178.4 | -174.6 | 0 | 112.4 | N111 A112 Q113 A119 | N111-K115 WeakPolarHBondContact O-CB 3.38Å; N111-K115 VanDerWaalsContact O-CG 3.31Å; N111-K115 WeakPolarHBondContact O-CG 3.22Å; N111-K115 PolarHBondContact O-N 3.24Å; A112-K115 PolarHBondContact O-N 3.37Å; Q113-K115 VanDerWaalsContact C-N 3.29Å; Q113-K115 PolarHBondContact O-N 3.39Å; K115-A119 PolarHBondContact O-N 3.02Å |
| 116 | A | 51.5 | Low | 48 | Very low | 65 Ų | 65 | 110.2 Ų | 110.2 | 54% | 0.537 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.9 | -39.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A112 Q113 A119 | A112-A116 WeakPolarHBondContact O-CB 3.26Å; A112-A116 PolarHBondContact O-N 3.43Å; Q113-A116 CarbonylContact O-C 3.54Å; Q113-A116 WeakPolarHBondContact O-CA 3.24Å; Q113-A116 WeakPolarHBondContact O-CB 3.47Å; Q113-A116 PolarHBondContact O-N 3.11Å; A116-A119 WeakPolarHBondContact O-CB 3.46Å; A116-A119 PolarHBondContact O-N 2.79Å |
| 117 | T | 49.7 | Very low | 47.6 | Very low | 92 Ų | 92 | 114.8 Ų | 114.8 | 56% | 0.564 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.7 | -33 | 174 | 24.4 | 0 | 0 | 0 | 0 | 113.2 | Q113 K114 A119 D120 E121 | Q113-T117 PolarHBondContact O-N 2.85Å; Q113-T117 PolarHBondContact O-OG1 3.3Å; K114-T117 WeakPolarHBondContact CA-OG1 3.41Å; K114-T117 PolarHBondContact O-OG1 3.36Å; T117-A119 PolarHBondContact O-N 3.37Å; T117-D120 PolarHBondContact O-N 2.85Å; T117-D120 VanDerWaalsContact O-N 3.17Å; T117-E121 PolarHBondContact O-N 2.83Å |
| 118 | L | 47.3 | Very low | 46.7 | Very low | 99 Ų | 99 | 117.6 Ų | 117.6 | 52% | 0.518 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.1 | -17.7 | 173.2 | -78.5 | 165.3 | 0 | 0 | 0 | 113.3 | K114 D120 | K114-L118 HydrophobicContact CG-CD1 3.99Å; K114-L118 HydrophobicContact CG-CG 4.46Å; K114-L118 VanDerWaalsContact O-CB 3.24Å; K114-L118 WeakPolarHBondContact O-CB 3.46Å; K114-L118 WeakPolarHBondContact O-CD1 3.4Å; K114-L118 WeakPolarHBondContact O-CG 3.4Å; K114-L118 PolarHBondContact O-N 2.89Å; L118-D120 VanDerWaalsContact C-N 3.31Å |
| 119 | A | 49.7 | Very low | 46.2 | Very low | 81 Ų | 81 | 117.9 Ų | 117.9 | 67% | 0.669 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -25.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K115 A116 T117 | K115-A119 PolarHBondContact O-N 3.02Å; A116-A119 WeakPolarHBondContact O-CB 3.46Å; A116-A119 PolarHBondContact O-N 2.79Å; T117-A119 PolarHBondContact O-N 3.37Å |
| 120 | D | 43 | Very low | 45.6 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -19.5 | -173.7 | -89 | -22.3 | 0 | 0 | 0 | 115.2 | T117 L118 | T117-D120 PolarHBondContact O-N 2.85Å; T117-D120 VanDerWaalsContact O-N 3.17Å; L118-D120 VanDerWaalsContact C-N 3.31Å |
| 121 | E | 32.4 | Very low | 44.4 | Very low | 166 Ų | 166 | 122.7 Ų | 122.7 | 78% | 0.776 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -138.7 | 139.7 | 176.6 | -80.2 | -171.8 | 147.7 | 0 | 0 | 115.6 | T117 | T117-E121 PolarHBondContact O-N 2.83Š|
| 122 | Q | 35 | Very low | 43.9 | Very low | 181 Ų | 181 | 124.8 Ų | 124.8 | 85% | 0.846 | 68% | 0.677 | S | S | * | * | trans | -47.7 | 139.7 | -178 | -162.7 | 174.4 | 9.6 | 0 | 0 | 112.6 | Q124 | Q122-Q124 PolarHBondContact O-N 2.89Å; Q122-Q124 VanDerWaalsContact O-N 3.09Å | ||
| 123 | P | 36.7 | Very low | 43 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 71% | 0.714 | 70% | 0.696 | S | S | * | * | trans | -66 | 111.2 | -163.3 | 25.1 | -35.1 | 0 | 0 | 0 | 112.5 | ||||
| 124 | Q | 35.4 | Very low | 42.6 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | trans | -82.1 | 139.7 | 162.6 | -76 | -174.4 | 2.1 | 0 | 0 | 110.4 | Q122 | Q122-Q124 PolarHBondContact O-N 2.89Å; Q122-Q124 VanDerWaalsContact O-N 3.09Å | ||
| 125 | P | 36.7 | Very low | 41.8 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | trans | -68.9 | 138.1 | -173.6 | 27.5 | -32.5 | 0 | 0 | 0 | 111.4 | L127 | P125-L127 PolarHBondContact O-N 3.36Å; P125-L127 VanDerWaalsContact O-N 3.11Å | ||
| 126 | L | 39.9 | Very low | 41.6 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | trans | -27.1 | 104.7 | 172.6 | -64.4 | 147.6 | 0 | 0 | 0 | 112.9 | E128 | L126-E128 PolarHBondContact O-N 3.41Š| ||
| 127 | L | 44.2 | Very low | 41.4 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 132.9 | 164.3 | -90.2 | 96.2 | 0 | 0 | 0 | 109 | P125 | P125-L127 PolarHBondContact O-N 3.36Å; P125-L127 VanDerWaalsContact O-N 3.11Å |
| 128 | E | 37.8 | Very low | 41.4 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 153.3 | -174.4 | -70.7 | 166.8 | 142.5 | 0 | 0 | 113.4 | L126 I130 | L126-E128 PolarHBondContact O-N 3.41Å; E128-I130 PolarHBondContact O-N 3.5Å; E128-I130 VanDerWaalsContact O-N 3.17Å |
| 129 | S | 43.9 | Very low | 41.5 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 118.6 | 172.8 | 45.1 | 0 | 0 | 0 | 0 | 110 | D131 | S129-D131 PolarHBondContact O-N 3.49Š|
| 130 | I | 40.9 | Very low | 41.3 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 74% | 0.744 | 74% | 0.735 | S | S | * | * | trans | -70.1 | 100.9 | 168.9 | -55.6 | 171.2 | 0 | 0 | 0 | 106.1 | E128 I132 | E128-I130 PolarHBondContact O-N 3.5Å; E128-I130 VanDerWaalsContact O-N 3.17Å; I130-I132 VanDerWaalsContact C-N 3.31Å; I130-I132 HydrophobicContact CB-CG1 4.41Å; I130-I132 HydrophobicContact CG2-CD1 4.26Å; I130-I132 HydrophobicContact CG2-CG1 3.51Å; I130-I132 PolarHBondContact O-N 3.32Å | ||
| 131 | D | 34.7 | Very low | 41.4 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | -67.6 | 94.6 | 161.4 | -87 | -31.6 | 0 | 0 | 0 | 106.9 | S129 D133 | S129-D131 PolarHBondContact O-N 3.49Å; D131-D133 PolarHBondContact O-N 2.9Å | ||
| 132 | I | 44.2 | Very low | 42.2 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 64% | 0.641 | 72% | 0.724 | S | S | * | * | trans | -82.2 | 102.3 | 167.2 | -54.7 | 177 | 0 | 0 | 0 | 105.8 | I130 L134 | I130-I132 VanDerWaalsContact C-N 3.31Å; I130-I132 HydrophobicContact CB-CG1 4.41Å; I130-I132 HydrophobicContact CG2-CD1 4.26Å; I130-I132 HydrophobicContact CG2-CG1 3.51Å; I130-I132 PolarHBondContact O-N 3.32Å; I132-L134 HydrophobicContact CG2-CD1 3.93Å; I132-L134 PolarHBondContact O-N 2.92Å | ||
| 133 | D | 37.1 | Very low | 42.7 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | trans | -63.2 | 91.7 | 159.1 | -87.7 | -29.2 | 0 | 0 | 0 | 107.1 | D131 S135 | D131-D133 PolarHBondContact O-N 2.9Å; D133-S135 PolarHBondContact O-N 2.93Å | ||
| 134 | L | 47.1 | Very low | 43.1 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 53% | 0.529 | 73% | 0.727 | S | S | . | * | trans | -65.4 | 115.2 | 172 | -138.8 | 79.6 | 0 | 0 | 0 | 107 | I132 L136 | I132-L134 HydrophobicContact CG2-CD1 3.93Å; I132-L134 PolarHBondContact O-N 2.92Å; L134-L136 PolarHBondContact O-N 3.09Å | ||
| 135 | S | 36.6 | Very low | 43.7 | Very low | 60 Ų | 60 | 136.4 Ų | 136.4 | 42% | 0.42 | 72% | 0.721 | S | S | . | * | trans | -60.8 | 122.8 | 174.2 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | D133 E137 E138 | D133-S135 PolarHBondContact O-N 2.93Å; S135-E137 PolarHBondContact O-N 3.33Å; S135-E138 PolarHBondContact O-N 3.17Å | ||
| 136 | L | 50.8 | Low | 44 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -52.5 | -17.4 | 179.6 | -78.8 | 151.1 | 0 | 0 | 0 | 113.7 | L134 E138 | L134-L136 PolarHBondContact O-N 3.09Å; L136-E138 VanDerWaalsContact C-N 3.31Å; L136-E138 PolarHBondContact O-N 3.27Å |
| 137 | E | 45.5 | Very low | 44.4 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -70.7 | -23.6 | 178 | -64.2 | 166.4 | 169.9 | 0 | 0 | 113 | S135 | S135-E137 PolarHBondContact O-N 3.33Š|
| 138 | E | 51.1 | Low | 44.6 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 65% | 0.645 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -91.2 | -8.8 | 178.7 | -73 | -177.5 | 162 | 0 | 0 | 113.7 | S135 L136 | S135-E138 PolarHBondContact O-N 3.17Å; L136-E138 VanDerWaalsContact C-N 3.31Å; L136-E138 PolarHBondContact O-N 3.27Å |
| 139 | E | 49.5 | Very low | 45.1 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 54% | 0.542 | 72% | 0.72 | S | S | . | * | G | 310 helix | trans | -73.3 | -29 | -178.2 | -122.8 | 175.7 | -177.2 | 0 | 0 | 113 | A141 | E139-A141 VanDerWaalsContact C-N 3.34Å; E139-A141 PolarHBondContact O-N 3.23Å |
| 140 | E | 45.4 | Very low | 45.5 | Very low | 194 Ų | 194 | 134.4 Ų | 134.4 | 91% | 0.907 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -75.1 | -19.6 | 179.9 | -77.9 | -172 | 161.6 | 0 | 0 | 113.9 | ||
| 141 | A | 45.4 | Very low | 45.8 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 72% | 0.719 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -90.3 | -4.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E139 E143 | E139-A141 VanDerWaalsContact C-N 3.34Å; E139-A141 PolarHBondContact O-N 3.23Å; A141-E143 PolarHBondContact O-N 2.88Å |
| 142 | I | 49.2 | Very low | 46.1 | Very low | 101 Ų | 101 | 131 Ų | 131 | 52% | 0.518 | 71% | 0.705 | S | S | . | * | trans | -76.9 | 83.9 | 172.2 | -49.7 | 174.7 | 0 | 0 | 0 | 106.6 | L144 | I142-L144 PolarHBondContact O-N 3.41Š| ||
| 143 | E | 44.8 | Very low | 46.2 | Very low | 184 Ų | 184 | 131 Ų | 131 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | trans | -54.6 | 94.7 | 163.5 | -163.5 | 171.3 | -156.3 | 0 | 0 | 106.4 | A141 L145 | A141-E143 PolarHBondContact O-N 2.88Å; E143-L145 PolarHBondContact O-N 3.27Å | ||
| 144 | L | 45.5 | Very low | 46.7 | Very low | 145 Ų | 145 | 131 Ų | 131 | 76% | 0.759 | 70% | 0.702 | S | S | * | * | trans | -57 | 102.8 | -174.5 | -83 | 109.4 | 0 | 0 | 0 | 107.6 | I142 | I142-L144 PolarHBondContact O-N 3.41Š| ||
| 145 | L | 46.6 | Very low | 46.8 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 135.4 | 173.2 | -78.7 | 163.3 | 0 | 0 | 0 | 108.3 | E143 Q147 | E143-L145 PolarHBondContact O-N 3.27Å; L145-Q147 PolarHBondContact O-N 3.34Å |
| 146 | P | 44.4 | Very low | 47.2 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 116.6 | -176.5 | 21 | -31.3 | 0 | 0 | 0 | 108.7 | ||
| 147 | Q | 48.1 | Very low | 47.2 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 131.9 | 179.6 | -75.6 | -175.2 | 11.9 | 0 | 0 | 108.8 | L145 L149 | L145-Q147 PolarHBondContact O-N 3.34Å; Q147-L149 PolarHBondContact O-N 3.33Å; Q147-L149 VanDerWaalsContact O-N 3.09Å |
| 148 | P | 48.1 | Very low | 47.5 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 81% | 0.805 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 122.3 | 175.3 | 22.8 | -30.7 | 0 | 0 | 0 | 108.1 | A150 | P148-A150 PolarHBondContact O-N 3.09Š|
| 149 | L | 48.4 | Very low | 47.8 | Very low | 164 Ų | 164 | 127.8 Ų | 127.8 | 86% | 0.859 | 70% | 0.695 | S | S | * | * | trans | -44.9 | 127.8 | 177.1 | -76.3 | 158.2 | 0 | 0 | 0 | 108.8 | Q147 I151 | Q147-L149 PolarHBondContact O-N 3.33Å; Q147-L149 VanDerWaalsContact O-N 3.09Å; L149-I151 PolarHBondContact O-N 3.47Å | ||
| 150 | A | 51.9 | Low | 48.2 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 80% | 0.802 | 69% | 0.686 | S | S | * | * | trans | -47.6 | 116.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108 | P148 N152 | P148-A150 PolarHBondContact O-N 3.09Å; A150-N152 PolarHBondContact O-N 3.24Å | ||
| 151 | I | 47.2 | Very low | 48.7 | Very low | 133 Ų | 133 | 120.5 Ų | 120.5 | 68% | 0.682 | 67% | 0.668 | S | S | * | * | trans | -59.4 | 103.6 | 179 | -62.9 | 171.6 | 0 | 0 | 0 | 106 | L149 N153 I156 | L149-I151 PolarHBondContact O-N 3.47Å; I151-N153 PolarHBondContact O-N 2.96Å; I151-I156 HydrophobicContact CG2-CD1 4.47Å; I151-I156 HydrophobicContact CG2-CG1 4.45Å | ||
| 152 | N | 40.2 | Very low | 49.2 | Very low | 90 Ų | 90 | 121.1 Ų | 121.1 | 48% | 0.481 | 66% | 0.663 | S | S | . | * | trans | -66.5 | 116.2 | 170.5 | -172.9 | 8 | 0 | 0 | 0 | 106.2 | A150 E154 I155 | A150-N152 PolarHBondContact O-N 3.24Å; N152-E154 PolarHBondContact ND2-OE2 3.25Å; N152-E154 PolarHBondContact O-N 3.33Å; N152-I155 PolarHBondContact O-N 2.89Å | ||
| 153 | N | 46.9 | Very low | 49.7 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 67% | 0.674 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -4.8 | -176.6 | -72 | -23.1 | 0 | 0 | 0 | 113.7 | I151 I155 | I151-N153 PolarHBondContact O-N 2.96Å; N153-I155 VanDerWaalsContact C-N 3.35Å |
| 154 | E | 47.4 | Very low | 50.5 | Low | 161 Ų | 161 | 118 Ų | 118 | 75% | 0.752 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -24.3 | 169.3 | -82.4 | 179.8 | 139.7 | 0 | 0 | 114.4 | N152 | N152-E154 PolarHBondContact ND2-OE2 3.25Å; N152-E154 PolarHBondContact O-N 3.33Å |
| 155 | I | 50.2 | Low | 50.9 | Low | 146 Ų | 146 | 120.6 Ų | 120.6 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -88 | -14.5 | -178.7 | -60.6 | 160.6 | 0 | 0 | 0 | 111.8 | N152 N153 G157 | N152-I155 PolarHBondContact O-N 2.89Å; N153-I155 VanDerWaalsContact C-N 3.35Å; I155-G157 PolarHBondContact O-N 3.29Å |
| 156 | I | 45.4 | Very low | 51.9 | Low | 110 Ų | 110 | 119.8 Ų | 119.8 | 56% | 0.564 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -70.5 | 90.3 | 167.4 | -55.1 | 176.7 | 0 | 0 | 0 | 105.2 | I151 D158 | I151-I156 HydrophobicContact CG2-CD1 4.47Å; I151-I156 HydrophobicContact CG2-CG1 4.45Å; I156-D158 PolarHBondContact O-N 2.89Å; I156-D158 VanDerWaalsContact O-N 3.09Å |
| 157 | G | 49 | Very low | 53.2 | Low | 36 Ų | 36 | 121.5 Ų | 121.5 | 37% | 0.371 | 64% | 0.643 | S | S | . | * | trans | -40.7 | 121.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I155 I159 | I155-G157 PolarHBondContact O-N 3.29Å; G157-I159 PolarHBondContact O-N 2.93Å | ||
| 158 | D | 53 | Low | 54.3 | Low | 105 Ų | 105 | 117.6 Ų | 117.6 | 56% | 0.561 | 64% | 0.635 | S | S | * | * | trans | -25.1 | 123.8 | 174.5 | 177.9 | 1.3 | 0 | 0 | 0 | 110.7 | I156 A160 Q161 | I156-D158 PolarHBondContact O-N 2.89Å; I156-D158 VanDerWaalsContact O-N 3.09Å; D158-A160 PolarHBondContact O-N 2.88Å; D158-A160 WeakPolarHBondContact OD1-CB 3.26Å; D158-A160 PolarHBondContact OD1-N 3.49Å; D158-A160 VanDerWaalsContact OD1-N 3.15Å; D158-Q161 WeakPolarHBondContact O-CB 3.38Å; D158-Q161 PolarHBondContact O-N 3.27Å | ||
| 159 | I | 57 | Low | 55 | Low | 145 Ų | 145 | 118.1 Ų | 118.1 | 74% | 0.744 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -49.8 | -25.8 | -177.3 | -63.6 | 166.7 | 0 | 0 | 0 | 111 | G157 Q161 V162 A163 | G157-I159 PolarHBondContact O-N 2.93Å; I159-Q161 VanDerWaalsContact C-N 3.35Å; I159-Q161 PolarHBondContact O-N 3.47Å; I159-V162 PolarHBondContact O-N 3.11Å; I159-A163 PolarHBondContact O-N 3.3Å |
| 160 | A | 58.8 | Low | 55.1 | Low | 43 Ų | 43 | 123.8 Ų | 123.8 | 36% | 0.355 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.7 | -27.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D158 R164 | D158-A160 PolarHBondContact O-N 2.88Å; D158-A160 WeakPolarHBondContact OD1-CB 3.26Å; D158-A160 PolarHBondContact OD1-N 3.49Å; D158-A160 VanDerWaalsContact OD1-N 3.15Å; A160-R164 WeakPolarHBondContact O-CG 3.11Å; A160-R164 PolarHBondContact O-N 2.73Å; A160-R164 PolarHBondContact O-NE 3.14Å |
| 161 | Q | 55.5 | Low | 55.3 | Low | 114 Ų | 114 | 125.2 Ų | 125.2 | 53% | 0.533 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -74.6 | -38.4 | 173.1 | -68.3 | -169.4 | 36.4 | 0 | 0 | 111.7 | D158 I159 A163 R164 W165 | D158-Q161 WeakPolarHBondContact O-CB 3.38Å; D158-Q161 PolarHBondContact O-N 3.27Å; I159-Q161 VanDerWaalsContact C-N 3.35Å; I159-Q161 PolarHBondContact O-N 3.47Å; Q161-A163 VanDerWaalsContact C-N 3.34Å; Q161-R164 PolarHBondContact O-N 3.32Å; Q161-W165 PolarHBondContact O-N 3.45Å |
| 162 | V | 56.4 | Low | 55.7 | Low | 101 Ų | 101 | 124.7 Ų | 124.7 | 61% | 0.612 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.8 | -41.7 | 175.4 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | I159 R164 W165 D166 | I159-V162 PolarHBondContact O-N 3.11Å; V162-R164 PolarHBondContact O-N 2.86Å; V162-W165 WeakPolarHBondContact O-CB 3.1Å; V162-W165 PolarHBondContact O-N 2.7Å; V162-D166 PolarHBondContact O-N 2.79Å |
| 163 | A | 59.6 | Low | 56.5 | Low | 59 Ų | 59 | 126.7 Ų | 126.7 | 49% | 0.488 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.6 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I159 Q161 W165 D166 E167 | I159-A163 PolarHBondContact O-N 3.3Å; Q161-A163 VanDerWaalsContact C-N 3.34Å; A163-W165 VanDerWaalsContact C-N 3.33Å; A163-W165 PolarHBondContact O-N 3.46Å; A163-D166 PolarHBondContact O-N 2.92Å; A163-E167 PolarHBondContact O-N 3.33Å |
| 164 | R | 60 | Low | 57.1 | Low | 161 Ų | 161 | 126.7 Ų | 126.7 | 61% | 0.608 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.8 | -31.4 | 175.1 | -80.6 | -173.6 | -79.8 | 176.3 | -6.6 | 113.3 | A160 Q161 V162 S168 | A160-R164 WeakPolarHBondContact O-CG 3.11Å; A160-R164 PolarHBondContact O-N 2.73Å; A160-R164 PolarHBondContact O-NE 3.14Å; Q161-R164 PolarHBondContact O-N 3.32Å; V162-R164 PolarHBondContact O-N 2.86Å; R164-S168 PolarHBondContact O-N 2.88Å |
| 165 | W | 55.4 | Low | 57.7 | Low | 199 Ų | 199 | 124.6 Ų | 124.6 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.2 | -42.2 | 174.7 | -114.3 | 54.1 | 0 | 0 | 0 | 111.7 | Q161 V162 A163 E167 S168 | Q161-W165 PolarHBondContact O-N 3.45Å; V162-W165 WeakPolarHBondContact O-CB 3.1Å; V162-W165 PolarHBondContact O-N 2.7Å; A163-W165 VanDerWaalsContact C-N 3.33Å; A163-W165 PolarHBondContact O-N 3.46Å; W165-E167 PolarHBondContact O-N 2.96Å; W165-S168 PolarHBondContact O-N 3.16Å; W165-S168 PolarHBondContact O-OG 3.5Å |
| 166 | D | 67.6 | Low | 58.2 | Low | 116 Ų | 116 | 123.1 Ų | 123.1 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.6 | -38.6 | 179.2 | -164.5 | 53.2 | 0 | 0 | 0 | 112.6 | V162 A163 S168 L169 | V162-D166 PolarHBondContact O-N 2.79Å; A163-D166 PolarHBondContact O-N 2.92Å; D166-S168 VanDerWaalsContact C-N 3.31Å; D166-S168 PolarHBondContact O-N 3.3Å; D166-L169 PolarHBondContact O-N 2.9Å |
| 167 | E | 72 | Confident | 59.1 | Low | 153 Ų | 153 | 124.1 Ų | 124.1 | 72% | 0.715 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.9 | -29.9 | 174.3 | -102.1 | 177.7 | 174.9 | 0 | 0 | 113.5 | A163 W165 L169 | A163-E167 PolarHBondContact O-N 3.33Å; W165-E167 PolarHBondContact O-N 2.96Å; E167-L169 PolarHBondContact O-N 3.39Å |
| 168 | S | 70 | Confident | 59.9 | Low | 86 Ų | 86 | 130.8 Ų | 130.8 | 60% | 0.601 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -10.2 | 179.1 | 73.1 | 0 | 0 | 0 | 0 | 114.5 | R164 W165 D166 | R164-S168 PolarHBondContact O-N 2.88Å; W165-S168 PolarHBondContact O-N 3.16Å; W165-S168 PolarHBondContact O-OG 3.5Å; D166-S168 VanDerWaalsContact C-N 3.31Å; D166-S168 PolarHBondContact O-N 3.3Å |
| 169 | L | 62.6 | Low | 60.5 | Low | 135 Ų | 135 | 133 Ų | 133 | 71% | 0.707 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -0.2 | 179.8 | -71.3 | 167.4 | 0 | 0 | 0 | 113.4 | D166 E167 | D166-L169 PolarHBondContact O-N 2.9Å; E167-L169 PolarHBondContact O-N 3.39Å |
| 170 | R | 50.9 | Low | 60.8 | Low | 284 Ų | 284 | 131.9 Ų | 131.9 | 100% | 1.072 | 64% | 0.642 | S | S | * | * | trans | -103.6 | 0 | 171.5 | -83.4 | -174.4 | 173.8 | -176.3 | 1.3 | 111.7 |
Retrieved 170 of 170 residues in 39.2 ms
(Link to these results)