| 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 | 33.8 | Very low | 31.3 | Very low | 240 Ų | 240 | 146.8 Ų | 146.8 | 100% | 1.182 | 82% | 0.816 | S | S | * | * | 0 | 88.4 | 0 | -159.2 | 168.1 | 178.3 | 0 | 0 | 105 | |||||
| 2 | V | 33.7 | Very low | 31.3 | Very low | 137 Ų | 137 | 148.4 Ų | 148.4 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | trans | -113.1 | 110.9 | -179.9 | 179.3 | 0 | 0 | 0 | 0 | 104.5 | V4 | V2-V4 PolarHBondContact O-N 2.91Š| ||
| 3 | E | 30.3 | Very low | 31.2 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -62 | 127.2 | 176.3 | -73.4 | 171.6 | 148.8 | 0 | 0 | 108.8 | ||||
| 4 | V | 33.7 | Very low | 31.1 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | trans | -90.8 | 115.1 | 169.3 | 179.3 | 0 | 0 | 0 | 0 | 105.1 | V2 D6 | V2-V4 PolarHBondContact O-N 2.91Å; V4-D6 PolarHBondContact O-N 2.95Å | ||
| 5 | D | 31.1 | Very low | 31 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -81 | 110.5 | 175.4 | -166.7 | 13.4 | 0 | 0 | 0 | 108.6 | G7 | D5-G7 VanDerWaalsContact C-N 3.34Å; D5-G7 PolarHBondContact O-N 3.46Å | ||
| 6 | D | 29.4 | Very low | 30.9 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -76.5 | 79.9 | 179.1 | -82.7 | -32.1 | 0 | 0 | 0 | 110.2 | V4 L8 | V4-D6 PolarHBondContact O-N 2.95Å; D6-L8 PolarHBondContact O-N 3.13Å | ||
| 7 | G | 31.2 | Very low | 30.9 | Very low | 74 Ų | 74 | 147.7 Ų | 147.7 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -96.4 | 56.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | D5 S9 | D5-G7 VanDerWaalsContact C-N 3.34Å; D5-G7 PolarHBondContact O-N 3.46Å; G7-S9 PolarHBondContact O-N 2.87Å | ||
| 8 | L | 33.2 | Very low | 31 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -80.4 | 106.3 | 172.1 | -92.7 | 160.9 | 0 | 0 | 0 | 110.9 | D6 | D6-L8 PolarHBondContact O-N 3.13Š| ||
| 9 | S | 29.1 | Very low | 31.3 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | 35.5 | 92.3 | 134.1 | 63.1 | 0 | 0 | 0 | 0 | 118.5 | G7 | G7-S9 PolarHBondContact O-N 2.87Š| ||
| 10 | E | 28.7 | Very low | 31.2 | Very low | 179 Ų | 179 | 140 Ų | 140 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -130.2 | 120.2 | 145.1 | -77.9 | -171.9 | 156.4 | 0 | 0 | 109 | ||||
| 11 | D | 30 | Very low | 31.1 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 62.6 | 74.4 | 148.7 | -55.9 | -22.7 | 0 | 0 | 0 | 119.6 | I13 | D11-I13 VanDerWaalsContact C-N 3.32Š| ||
| 12 | I | 31.7 | Very low | 30.9 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | trans | -98.2 | 67.8 | 143.3 | -49.7 | 177.5 | 0 | 0 | 0 | 107.6 | P14 | I12-P14 VanDerWaalsContact O-CD 3.28Å; I12-P14 WeakPolarHBondContact O-CD 3.48Å | ||
| 13 | I | 30.3 | Very low | 30.8 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | trans | -76.8 | 111 | 157.7 | -58.7 | 178.1 | 0 | 0 | 0 | 104.8 | D11 N15 | D11-I13 VanDerWaalsContact C-N 3.32Å; I13-N15 PolarHBondContact O-N 2.88Å; I13-N15 VanDerWaalsContact O-N 3.11Å | ||
| 14 | P | 29.1 | Very low | 30.6 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 69% | 0.688 | 72% | 0.718 | S | S | * | * | trans | -56.7 | 124.6 | -179.2 | 20.9 | -31.3 | 0 | 0 | 0 | 109.3 | I12 Y16 | I12-P14 VanDerWaalsContact O-CD 3.28Å; I12-P14 WeakPolarHBondContact O-CD 3.48Å; P14-Y16 PolarHBondContact O-N 3.29Å | ||
| 15 | N | 29.2 | Very low | 30.4 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | trans | -52.2 | 96.5 | 175.4 | -176.1 | 3.3 | 0 | 0 | 0 | 109.1 | I13 K17 | I13-N15 PolarHBondContact O-N 2.88Å; I13-N15 VanDerWaalsContact O-N 3.11Å; N15-K17 PolarHBondContact O-N 3.43Å | ||
| 16 | Y | 29.5 | Very low | 30.2 | Very low | 193 Ų | 193 | 124.1 Ų | 124.1 | 76% | 0.757 | 71% | 0.706 | S | S | * | * | trans | -66.7 | 88.1 | 165.5 | -169.8 | -94.1 | 0 | 0 | 0 | 105.4 | P14 S18 A19 | P14-Y16 PolarHBondContact O-N 3.29Å; Y16-S18 PolarHBondContact O-N 2.92Å; Y16-A19 HydrophobicContact CE1-CB 4.42Å | ||
| 17 | K | 31 | Very low | 30.6 | Very low | 157 Ų | 157 | 122.7 Ų | 122.7 | 68% | 0.683 | 71% | 0.707 | S | S | * | * | trans | -45.9 | 119.5 | 163.8 | -81.1 | -175.7 | 176.2 | 179.3 | 0 | 105.4 | N15 A19 | N15-K17 PolarHBondContact O-N 3.43Å; K17-A19 PolarHBondContact O-N 3.29Å | ||
| 18 | S | 33.8 | Very low | 30.6 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 52% | 0.524 | 70% | 0.696 | S | S | . | * | trans | -36.8 | 137.7 | 176 | 44.2 | 0 | 0 | 0 | 0 | 109.9 | Y16 D20 A21 | Y16-S18 PolarHBondContact O-N 2.92Å; S18-D20 PolarHBondContact O-N 3.45Å; S18-A21 PolarHBondContact O-N 3.02Å; S18-A21 VanDerWaalsContact O-N 3.11Å | ||
| 19 | A | 35 | Very low | 30.5 | Very low | 71 Ų | 71 | 122.3 Ų | 122.3 | 59% | 0.587 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -57.3 | 3.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y16 K17 | Y16-A19 HydrophobicContact CE1-CB 4.42Å; K17-A19 PolarHBondContact O-N 3.29Å |
| 20 | D | 31.1 | Very low | 30.7 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -84.1 | -7.9 | 174 | -58.1 | -36.5 | 0 | 0 | 0 | 113.9 | S18 | S18-D20 PolarHBondContact O-N 3.45Š|
| 21 | A | 28.5 | Very low | 30.7 | Very low | 61 Ų | 61 | 127.3 Ų | 127.3 | 50% | 0.504 | 70% | 0.697 | S | S | . | * | G | 310 helix | trans | -93.4 | -0.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S18 | S18-A21 PolarHBondContact O-N 3.02Å; S18-A21 VanDerWaalsContact O-N 3.11Å |
| 22 | V | 29.9 | Very low | 30.5 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 68% | 0.679 | 70% | 0.704 | S | S | * | * | trans | -105.7 | 35.8 | 177.8 | -161.3 | 0 | 0 | 0 | 0 | 111.6 | Y25 | V22-Y25 HydrophobicContact CG1-CD2 4.27Š| ||
| 23 | S | 30.4 | Very low | 30.3 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -96 | 5.6 | 162 | 82.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 24 | A | 27.8 | Very low | 30.3 | Very low | 84 Ų | 84 | 128.6 Ų | 128.6 | 69% | 0.694 | 71% | 0.707 | S | S | * | * | trans | -111.3 | 9.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S26 | A24-S26 PolarHBondContact O-N 3.13Š| ||
| 25 | Y | 27.9 | Very low | 30.3 | Very low | 199 Ų | 199 | 132.1 Ų | 132.1 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | trans | -77.8 | 87.1 | 164.3 | -86.6 | -82.7 | 0 | 0 | 0 | 108.9 | V22 | V22-Y25 HydrophobicContact CG1-CD2 4.27Š| ||
| 26 | S | 28.6 | Very low | 30.4 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 54% | 0.538 | 71% | 0.709 | S | S | . | * | trans | -44.6 | 133.5 | 165.1 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | A24 T28 | A24-S26 PolarHBondContact O-N 3.13Å; S26-T28 PolarHBondContact O-N 3.5Å; S26-T28 PolarHBondContact OG-OG1 3.18Å | ||
| 27 | S | 37.7 | Very low | 30.3 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 78% | 0.783 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 16.7 | -177.9 | -33 | 0 | 0 | 0 | 0 | 115.6 | ||
| 28 | T | 30.5 | Very low | 30.2 | Very low | 89 Ų | 89 | 124.1 Ų | 124.1 | 55% | 0.546 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.6 | -9.7 | -169.2 | 37.5 | 0 | 0 | 0 | 0 | 115.2 | S26 | S26-T28 PolarHBondContact O-N 3.5Å; S26-T28 PolarHBondContact OG-OG1 3.18Å |
| 29 | D | 30.6 | Very low | 30.1 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 67% | 0.674 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -102.6 | 8.2 | -173.7 | -69.9 | -20.9 | 0 | 0 | 0 | 115.8 | ||
| 30 | Y | 33.1 | Very low | 29.9 | Very low | 218 Ų | 218 | 132 Ų | 132 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -130.7 | 16.1 | 175.6 | -86.5 | -85.1 | 0 | 0 | 0 | 115.1 | N32 | Y30-N32 VanDerWaalsContact C-N 3.35Š|
| 31 | E | 28.6 | Very low | 29.9 | Very low | 162 Ų | 162 | 132.8 Ų | 132.8 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | -85.4 | 1.9 | 172.8 | -81.8 | -172.7 | 153.3 | 0 | 0 | 114.3 | ||||
| 32 | N | 26.9 | Very low | 30.3 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -97.3 | 20.3 | -178.1 | -78.5 | -28.7 | 0 | 0 | 0 | 115.5 | Y30 | Y30-N32 VanDerWaalsContact C-N 3.35Š|
| 33 | M | 28.1 | Very low | 30.6 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -130.2 | 123.4 | 169.1 | -66.4 | -170.9 | -179.9 | 0 | 0 | 110 | ||
| 34 | V | 29.8 | Very low | 31.2 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | trans | 90.2 | 71 | 178.8 | -160.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 35 | D | 29.5 | Very low | 32.1 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 97% | 0.968 | 74% | 0.744 | S | S | * | * | trans | -72.2 | 108.1 | 142.3 | -158.8 | 7.4 | 0 | 0 | 0 | 107.1 | ||||
| 36 | G | 30.4 | Very low | 33.3 | Very low | 50 Ų | 50 | 130.2 Ų | 130.2 | 52% | 0.515 | 72% | 0.722 | S | S | . | * | trans | 168.3 | 79.1 | -172 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 37 | S | 28.3 | Very low | 34.3 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 4.3 | 127.3 | 164.4 | 59.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 38 | D | 27.5 | Very low | 34.6 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | trans | 64.8 | 90.7 | 150.4 | -77.8 | -23.7 | 0 | 0 | 0 | 119.5 | ||||
| 39 | S | 32.8 | Very low | 35.5 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | 170.2 | 134.5 | 105.6 | 47.6 | 0 | 0 | 0 | 0 | 109.1 | L41 | S39-L41 PolarHBondContact O-N 3.42Š| |||
| 40 | Q | 29.4 | Very low | 35.7 | Very low | 203 Ų | 203 | 139.8 Ų | 139.8 | 95% | 0.949 | 74% | 0.741 | S | S | * | * | trans | -68.2 | 65.5 | -178.4 | -64.5 | 176.4 | -0.3 | 0 | 0 | 112 | S42 | Q40-S42 VanDerWaalsContact C-N 3.3Å; Q40-S42 PolarHBondContact O-N 3Å; Q40-S42 VanDerWaalsContact O-N 3.08Å | ||
| 41 | L | 31.4 | Very low | 35.7 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -75.5 | 93.4 | 160.8 | -147.9 | 87.9 | 0 | 0 | 0 | 106 | S39 F43 | S39-L41 PolarHBondContact O-N 3.42Å; L41-F43 PolarHBondContact O-N 3.05Å | ||
| 42 | S | 36.7 | Very low | 36.4 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | trans | -50.7 | 109.5 | 170.8 | 46.8 | 0 | 0 | 0 | 0 | 108.3 | Q40 I44 | Q40-S42 VanDerWaalsContact C-N 3.3Å; Q40-S42 PolarHBondContact O-N 3Å; Q40-S42 VanDerWaalsContact O-N 3.08Å; S42-I44 PolarHBondContact O-N 3.06Å | ||
| 43 | F | 37.8 | Very low | 36.7 | Very low | 175 Ų | 175 | 128.2 Ų | 128.2 | 77% | 0.768 | 73% | 0.734 | S | S | * | * | trans | -65.1 | 90.4 | 173.3 | -168.8 | -95.9 | 0 | 0 | 0 | 106.3 | L41 S45 | L41-F43 PolarHBondContact O-N 3.05Å; F43-S45 VanDerWaalsContact C-N 3.33Å; F43-S45 PolarHBondContact O-N 3.42Å | ||
| 44 | I | 41.7 | Very low | 37.3 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 68% | 0.677 | 73% | 0.726 | S | S | * | * | trans | -58.2 | 106.2 | 168.8 | -70.2 | 172.5 | 0 | 0 | 0 | 104.6 | S42 V46 | S42-I44 PolarHBondContact O-N 3.06Å; I44-V46 PolarHBondContact O-N 2.99Å | ||
| 45 | S | 46.3 | Very low | 38.3 | Very low | 61 Ų | 61 | 126.6 Ų | 126.6 | 43% | 0.427 | 72% | 0.724 | S | S | . | * | trans | -49.3 | 111.6 | 168.4 | 175 | 0 | 0 | 0 | 0 | 107.4 | F43 H47 C48 | F43-S45 VanDerWaalsContact C-N 3.33Å; F43-S45 PolarHBondContact O-N 3.42Å; S45-H47 PolarHBondContact O-N 3.14Å; S45-C48 PolarHBondContact O-N 2.87Å; S45-C48 VanDerWaalsContact O-N 3.07Å | ||
| 46 | V | 54.2 | Low | 39.1 | Very low | 55 Ų | 55 | 127.1 Ų | 127.1 | 33% | 0.333 | 72% | 0.718 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.3 | -16.1 | -173.7 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | I44 L332 R339 | I44-V46 PolarHBondContact O-N 2.99Å; V46-L332 HydrophobicContact CG2-CD1 4.3Å; V46-R339 PolarHBondContact O-NH1 3.48Å |
| 47 | H | 48.5 | Very low | 40 | Very low | 171 Ų | 171 | 127.7 Ų | 127.7 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -10.3 | 179.4 | -91.6 | -40 | 0 | 0 | 0 | 116.9 | S45 | S45-H47 PolarHBondContact O-N 3.14Š|
| 48 | C | 45.5 | Very low | 41.6 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 62% | 0.615 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 124.1 | -175.2 | -85.2 | 0 | 0 | 0 | 0 | 113.5 | S45 | S45-C48 PolarHBondContact O-N 2.87Å; S45-C48 VanDerWaalsContact O-N 3.07Å |
| 49 | H | 47.6 | Very low | 43.5 | Very low | 162 Ų | 162 | 125 Ų | 125 | 75% | 0.75 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 127.8 | 169.8 | -62 | -77.9 | 0 | 0 | 0 | 110.4 | ||
| 50 | K | 36.3 | Very low | 45.3 | Very low | 180 Ų | 180 | 121.3 Ų | 121.3 | 78% | 0.783 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 128.5 | -178.1 | -165.5 | 169.7 | -175.9 | 169.8 | 0 | 110.6 | ||
| 51 | T | 32.8 | Very low | 47.1 | Very low | 137 Ų | 137 | 112.7 Ų | 112.7 | 84% | 0.84 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 132.2 | 172.8 | 45 | 0 | 0 | 0 | 0 | 110.5 | ||
| 52 | A | 42.6 | Very low | 49.1 | Very low | 94 Ų | 94 | 112.2 Ų | 112.2 | 78% | 0.777 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 127 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 53 | G | 32.6 | Very low | 51 | Low | 69 Ų | 69 | 113.7 Ų | 113.7 | 71% | 0.711 | 61% | 0.607 | S | S | * | * | trans | -120.4 | 135.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 54 | D | 42.7 | Very low | 52.9 | Low | 121 Ų | 121 | 105.7 Ų | 105.7 | 65% | 0.647 | 57% | 0.573 | S | S | * | * | trans | 178 | 100.1 | 134 | -158.9 | 4 | 0 | 0 | 0 | 109.4 | ||||
| 55 | D | 49 | Very low | 54.5 | Low | 140 Ų | 140 | 103.6 Ų | 103.6 | 75% | 0.749 | 56% | 0.563 | S | S | * | * | trans | -87.8 | -15.4 | -170.8 | -66.6 | -39.2 | 0 | 0 | 0 | 114.4 | D58 | D55-D58 WeakPolarHBondContact O-CB 3.26Š| ||
| 56 | K | 46.1 | Very low | 56.3 | Low | 192 Ų | 192 | 106 Ų | 106 | 84% | 0.835 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -31.9 | -168.5 | -70.5 | -175.6 | -179.5 | 174.7 | 0 | 114.4 | D58 | K56-D58 PolarHBondContact O-N 3.36Š|
| 57 | A | 50.8 | Low | 57.6 | Low | 61 Ų | 61 | 107.9 Ų | 107.9 | 50% | 0.504 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.5 | -11.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 58 | D | 61.5 | Low | 59.2 | Low | 46 Ų | 46 | 100.3 Ų | 100.3 | 25% | 0.246 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -83.8 | -32.6 | -169.7 | -156 | -1 | 0 | 0 | 0 | 113.1 | D55 K56 G60 A61 R62 | D55-D58 WeakPolarHBondContact O-CB 3.26Å; K56-D58 PolarHBondContact O-N 3.36Å; D58-G60 PolarHBondContact O-N 3.26Å; D58-A61 PolarHBondContact O-N 3.05Å; D58-R62 VanDerWaalsContact O-CB 3.31Å; D58-R62 WeakPolarHBondContact O-CB 3.4Å; D58-R62 WeakPolarHBondContact O-CG 3.31Å; D58-R62 PolarHBondContact O-N 3.27Å; D58-R62 WeakPolarHBondContact OD1-CD 3.39Å; D58-R62 WeakPolarHBondContact OD1-CG 3.47Å; D58-R62 IonicContact OD1-CZ 2.91Å; D58-R62 IonicContact OD1-NE 2.61Å; D58-R62 PolarHBondContact OD1-NE 2.91Å; D58-R62 IonicContact OD1-NH2 3.01Å; D58-R62 IonicContact OD2-CZ 2.68Å; D58-R62 IonicContact OD2-NE 3.81Å; D58-R62 PolarHBondContact OD2-NE 3.29Å; D58-R62 IonicContact OD2-NH2 3.32Å; D58-R62 PolarHBondContact OD2-NH2 3.3Å |
| 59 | Y | 68.4 | Low | 60.9 | Low | 170 Ų | 170 | 99.6 Ų | 99.6 | 67% | 0.667 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.9 | -43.3 | -174.4 | -175.1 | -96.8 | 0 | 0 | 0 | 113.2 | K63 | Y59-K63 HydrophobicContact CE1-CD 4.3Å; Y59-K63 WeakPolarHBondContact O-CB 3.2Å; Y59-K63 PolarHBondContact O-N 3.2Å |
| 60 | G | 69 | Low | 62.8 | Low | 31 Ų | 31 | 96.8 Ų | 96.8 | 32% | 0.32 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D58 K63 A64 | D58-G60 PolarHBondContact O-N 3.26Å; G60-K63 PolarHBondContact O-N 3.36Å; G60-A64 WeakPolarHBondContact O-CB 3.28Å; G60-A64 PolarHBondContact O-N 3.46Å |
| 61 | A | 66.9 | Low | 65.3 | Low | 22 Ų | 22 | 90.6 Ų | 90.6 | 18% | 0.182 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | D58 K63 A64 L65 | D58-A61 PolarHBondContact O-N 3.05Å; A61-K63 PolarHBondContact O-N 3.47Å; A61-A64 PolarHBondContact O-N 2.86Å; A61-L65 VanDerWaalsContact O-CG 3.29Å; A61-L65 WeakPolarHBondContact O-CG 3.3Å; A61-L65 PolarHBondContact O-N 3.28Å |
| 62 | R | 73.8 | Confident | 67.8 | Low | 149 Ų | 149 | 85.3 Ų | 85.3 | 56% | 0.562 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.2 | -44.8 | 175.6 | -73.9 | 176 | -176.8 | -159.9 | 4.2 | 112.3 | D58 L65 L66 | D58-R62 VanDerWaalsContact O-CB 3.31Å; D58-R62 WeakPolarHBondContact O-CB 3.4Å; D58-R62 WeakPolarHBondContact O-CG 3.31Å; D58-R62 PolarHBondContact O-N 3.27Å; D58-R62 WeakPolarHBondContact OD1-CD 3.39Å; D58-R62 WeakPolarHBondContact OD1-CG 3.47Å; D58-R62 IonicContact OD1-CZ 2.91Å; D58-R62 IonicContact OD1-NE 2.61Å; D58-R62 PolarHBondContact OD1-NE 2.91Å; D58-R62 IonicContact OD1-NH2 3.01Å; D58-R62 IonicContact OD2-CZ 2.68Å; D58-R62 IonicContact OD2-NE 3.81Å; D58-R62 PolarHBondContact OD2-NE 3.29Å; D58-R62 IonicContact OD2-NH2 3.32Å; D58-R62 PolarHBondContact OD2-NH2 3.3Å; R62-L65 PolarHBondContact O-N 3.01Å; R62-L66 WeakPolarHBondContact O-CB 3.5Å; R62-L66 WeakPolarHBondContact O-CG 3.32Å; R62-L66 PolarHBondContact O-N 3.31Å |
| 63 | K | 77.6 | Confident | 70.1 | Confident | 129 Ų | 129 | 83.3 Ų | 83.3 | 56% | 0.561 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.1 | -41.8 | 179.2 | -172.7 | 177.5 | 179.2 | -179.1 | 0 | 111.8 | Y59 G60 A61 L66 L67 | Y59-K63 HydrophobicContact CE1-CD 4.3Å; Y59-K63 WeakPolarHBondContact O-CB 3.2Å; Y59-K63 PolarHBondContact O-N 3.2Å; G60-K63 PolarHBondContact O-N 3.36Å; A61-K63 PolarHBondContact O-N 3.47Å; K63-L66 PolarHBondContact O-N 2.9Å; K63-L67 WeakPolarHBondContact O-CB 3.5Å; K63-L67 PolarHBondContact O-N 3.32Å |
| 64 | A | 76.6 | Confident | 73 | Confident | 7 Ų | 7 | 85.2 Ų | 85.2 | 6% | 0.058 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G60 A61 L67 S68 V186 F190 | G60-A64 WeakPolarHBondContact O-CB 3.28Å; G60-A64 PolarHBondContact O-N 3.46Å; A61-A64 PolarHBondContact O-N 2.86Å; A64-L67 PolarHBondContact O-N 2.97Å; A64-S68 WeakPolarHBondContact O-CB 3.21Å; A64-S68 PolarHBondContact O-N 3.26Å; A64-S68 PolarHBondContact O-OG 3.46Å; A64-V186 HydrophobicContact CB-CG1 4.03Å; A64-F190 HydrophobicContact CB-CB 3.28Å; A64-F190 HydrophobicContact CB-CD1 4.48Å; A64-F190 HydrophobicContact CB-CD2 3.91Å; A64-F190 HydrophobicContact CB-CG 3.66Å |
| 65 | L | 76.7 | Confident | 75.3 | Confident | 88 Ų | 88 | 79.8 Ų | 79.8 | 46% | 0.461 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 174.3 | -70.6 | 173 | 0 | 0 | 0 | 111.5 | A61 R62 L67 S68 M69 | A61-L65 VanDerWaalsContact O-CG 3.29Å; A61-L65 WeakPolarHBondContact O-CG 3.3Å; A61-L65 PolarHBondContact O-N 3.28Å; R62-L65 PolarHBondContact O-N 3.01Å; L65-L67 PolarHBondContact O-N 3.15Å; L65-S68 PolarHBondContact O-N 2.95Å; L65-M69 WeakPolarHBondContact O-CB 3.44Å; L65-M69 PolarHBondContact O-N 3.5Å |
| 66 | L | 82.5 | Confident | 77.4 | Confident | 111 Ų | 111 | 73.7 Ų | 73.7 | 58% | 0.581 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.1 | -42.1 | 177.1 | -73.2 | 171.2 | 0 | 0 | 0 | 112.4 | R62 K63 M69 L70 | R62-L66 WeakPolarHBondContact O-CB 3.5Å; R62-L66 WeakPolarHBondContact O-CG 3.32Å; R62-L66 PolarHBondContact O-N 3.31Å; K63-L66 PolarHBondContact O-N 2.9Å; L66-M69 HydrophobicContact CD2-CE 4.24Å; L66-M69 PolarHBondContact O-N 3.45Å; L66-L70 WeakPolarHBondContact O-CB 3.39Å; L66-L70 PolarHBondContact O-N 3.01Å |
| 67 | L | 82.4 | Confident | 79.7 | Confident | 94 Ų | 94 | 68 Ų | 68 | 49% | 0.492 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 176.8 | -177.5 | 64.8 | 0 | 0 | 0 | 111.6 | K63 A64 L65 L70 L71 | K63-L67 WeakPolarHBondContact O-CB 3.5Å; K63-L67 PolarHBondContact O-N 3.32Å; A64-L67 PolarHBondContact O-N 2.97Å; L65-L67 PolarHBondContact O-N 3.15Å; L67-L70 PolarHBondContact O-N 3.34Å; L67-L71 WeakPolarHBondContact O-CB 3.37Å; L67-L71 PolarHBondContact O-N 3.23Å |
| 68 | S | 81.1 | Confident | 81.8 | Confident | 12 Ų | 12 | 67.2 Ų | 67.2 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 178.6 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | A64 L65 L70 L71 C72 L187 | A64-S68 WeakPolarHBondContact O-CB 3.21Å; A64-S68 PolarHBondContact O-N 3.26Å; A64-S68 PolarHBondContact O-OG 3.46Å; L65-S68 PolarHBondContact O-N 2.95Å; S68-L70 PolarHBondContact O-N 2.95Å; S68-L71 PolarHBondContact O-N 2.98Å; S68-C72 VanDerWaalsContact O-CB 3.28Å; S68-C72 WeakPolarHBondContact O-CB 3.44Å; S68-C72 PolarHBondContact O-N 3.36Å; S68-L187 WeakPolarHBondContact OG-CD1 3.47Å |
| 69 | M | 82.4 | Confident | 83.3 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 38% | 0.379 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 175.2 | -168.7 | 174.8 | 76.7 | 0 | 0 | 111.7 | L65 L66 C72 V73 F105 | L65-M69 WeakPolarHBondContact O-CB 3.44Å; L65-M69 PolarHBondContact O-N 3.5Å; L66-M69 HydrophobicContact CD2-CE 4.24Å; L66-M69 PolarHBondContact O-N 3.45Å; M69-C72 PolarHBondContact O-N 2.99Å; M69-V73 WeakPolarHBondContact O-CG2 3.22Å; M69-V73 PolarHBondContact O-N 3.3Å; M69-F105 HydrophobicContact SD-CD1 4.23Å; M69-F105 HydrophobicContact SD-CE1 3.73Å |
| 70 | L | 87.7 | Confident | 84.6 | Confident | 102 Ų | 102 | 60.9 Ų | 60.9 | 53% | 0.534 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 175.5 | 178.3 | 64.8 | 0 | 0 | 0 | 111.6 | L66 L67 S68 V73 I74 | L66-L70 WeakPolarHBondContact O-CB 3.39Å; L66-L70 PolarHBondContact O-N 3.01Å; L67-L70 PolarHBondContact O-N 3.34Å; S68-L70 PolarHBondContact O-N 2.95Å; L70-V73 PolarHBondContact O-N 3.01Å; L70-I74 HydrophobicContact CD1-CD1 4.16Å; L70-I74 HydrophobicContact CG-CD1 4.02Å; L70-I74 WeakPolarHBondContact O-CG1 3.32Å; L70-I74 PolarHBondContact O-N 2.81Å; L70-I74 VanDerWaalsContact O-N 3.07Å |
| 71 | L | 87.5 | Confident | 85.9 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | -179.7 | -171 | 151.5 | 0 | 0 | 0 | 111.5 | L67 S68 I74 F75 V179 V182 M183 | L67-L71 WeakPolarHBondContact O-CB 3.37Å; L67-L71 PolarHBondContact O-N 3.23Å; S68-L71 PolarHBondContact O-N 2.98Å; L71-I74 PolarHBondContact O-N 3.19Å; L71-F75 WeakPolarHBondContact O-CB 3.42Å; L71-F75 PolarHBondContact O-N 3.44Å; L71-V179 HydrophobicContact CD2-CB 4.16Å; L71-V179 HydrophobicContact CD2-CG1 3.24Å; L71-V179 HydrophobicContact CD2-CG2 4.29Å; L71-V182 HydrophobicContact CD1-CG1 4.49Å; L71-M183 HydrophobicContact CD2-CE 4.5Å; L71-M183 HydrophobicContact CD2-CG 3.63Å; L71-M183 HydrophobicContact CD2-SD 3.78Å |
| 72 | C | 87.1 | Confident | 87.2 | Confident | 26 Ų | 26 | 62.6 Ų | 62.6 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 173.1 | 177 | 0 | 0 | 0 | 0 | 111.6 | S68 M69 I74 F75 M76 M183 | S68-C72 VanDerWaalsContact O-CB 3.28Å; S68-C72 WeakPolarHBondContact O-CB 3.44Å; S68-C72 PolarHBondContact O-N 3.36Å; M69-C72 PolarHBondContact O-N 2.99Å; C72-I74 PolarHBondContact O-N 3.19Å; C72-F75 PolarHBondContact O-N 3.46Å; C72-M76 WeakPolarHBondContact O-CB 3.47Å; C72-M76 PolarHBondContact O-N 3.19Å; C72-M183 HydrophobicContact CB-SD 4.02Å |
| 73 | V | 90.7 | Very high | 88.1 | Confident | 52 Ų | 52 | 55.5 Ų | 55.5 | 32% | 0.315 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 179.1 | 171.6 | 0 | 0 | 0 | 0 | 112.4 | M69 L70 M76 T77 L102 | M69-V73 WeakPolarHBondContact O-CG2 3.22Å; M69-V73 PolarHBondContact O-N 3.3Å; L70-V73 PolarHBondContact O-N 3.01Å; V73-M76 HydrophobicContact CG1-CE 4.41Å; V73-T77 PolarHBondContact O-N 3.25Å; V73-T77 VanDerWaalsContact O-N 3.09Å; V73-T77 PolarHBondContact O-OG1 3.32Å; V73-L102 HydrophobicContact CG2-CD2 4.05Å |
| 74 | I | 92.1 | Very high | 88.9 | Confident | 109 Ų | 109 | 58.5 Ų | 58.5 | 56% | 0.559 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.9 | -47.4 | 176.9 | -69 | 167.3 | 0 | 0 | 0 | 110.2 | L70 L71 C72 T77 A78 | L70-I74 HydrophobicContact CD1-CD1 4.16Å; L70-I74 HydrophobicContact CG-CD1 4.02Å; L70-I74 WeakPolarHBondContact O-CG1 3.32Å; L70-I74 PolarHBondContact O-N 2.81Å; L70-I74 VanDerWaalsContact O-N 3.07Å; L71-I74 PolarHBondContact O-N 3.19Å; C72-I74 PolarHBondContact O-N 3.19Å; I74-T77 PolarHBondContact O-N 3.36Å; I74-A78 PolarHBondContact O-N 3.41Å; I74-A78 VanDerWaalsContact O-N 3.11Å |
| 75 | F | 91.4 | Very high | 89.7 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.9 | -46.1 | -178.3 | -177 | -111.7 | 0 | 0 | 0 | 112.1 | L71 C72 T77 A78 E79 L98 V175 V179 | L71-F75 WeakPolarHBondContact O-CB 3.42Å; L71-F75 PolarHBondContact O-N 3.44Å; C72-F75 PolarHBondContact O-N 3.46Å; F75-T77 PolarHBondContact O-N 3.22Å; F75-A78 CarbonylContact O-C 3.57Å; F75-A78 WeakPolarHBondContact O-CA 3.5Å; F75-A78 WeakPolarHBondContact O-CB 3.49Å; F75-A78 PolarHBondContact O-N 2.72Å; F75-E79 HydrophobicContact CD1-CG 4.19Å; F75-E79 HydrophobicContact CD2-CG 4.46Å; F75-E79 HydrophobicContact CE1-CG 3.63Å; F75-E79 WeakPolarHBondContact CE1-OE1 3.5Å; F75-E79 HydrophobicContact CE2-CG 3.92Å; F75-E79 HydrophobicContact CZ-CG 3.43Å; F75-E79 VanDerWaalsContact CZ-CG 3.43Å; F75-E79 WeakPolarHBondContact CZ-OE1 3.46Å; F75-E79 PolarHBondContact O-N 2.84Å; F75-L98 HydrophobicContact CD1-CD1 4.1Å; F75-L98 HydrophobicContact CE1-CD1 4.37Å; F75-V175 HydrophobicContact CD2-CG1 4.09Å; F75-V175 HydrophobicContact CE2-CB 4.33Å; F75-V175 HydrophobicContact CE2-CG1 3.81Å; F75-V179 HydrophobicContact CB-CG1 3.82Å; F75-V179 HydrophobicContact CD1-CB 4.45Å; F75-V179 HydrophobicContact CD1-CG1 3.77Å; F75-V179 HydrophobicContact CD2-CB 4.28Å; F75-V179 HydrophobicContact CD2-CG1 4.19Å; F75-V179 HydrophobicContact CD2-CG2 3.95Å; F75-V179 HydrophobicContact CE1-CG1 4.47Å; F75-V179 HydrophobicContact CE2-CG2 4.5Å; F75-V179 HydrophobicContact CG-CB 4.2Å; F75-V179 HydrophobicContact CG-CG1 3.62Å; F75-V179 HydrophobicContact CG-CG2 4.22Å |
| 76 | M | 93.2 | Very high | 90.5 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.059 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -51.4 | -43.8 | 172.2 | 178.8 | -171.9 | 63.9 | 0 | 0 | 111.6 | C72 V73 A78 E79 I80 L98 L99 L102 | C72-M76 WeakPolarHBondContact O-CB 3.47Å; C72-M76 PolarHBondContact O-N 3.19Å; V73-M76 HydrophobicContact CG1-CE 4.41Å; M76-A78 PolarHBondContact O-N 3.38Å; M76-E79 PolarHBondContact O-N 3.02Å; M76-I80 HydrophobicContact CG-CD1 4.22Å; M76-I80 VanDerWaalsContact O-CG1 3.32Å; M76-I80 WeakPolarHBondContact O-CG1 3.46Å; M76-I80 PolarHBondContact O-N 3.28Å; M76-L98 HydrophobicContact CB-CB 4.3Å; M76-L98 HydrophobicContact CB-CD1 4.29Å; M76-L98 HydrophobicContact CG-CB 4.13Å; M76-L98 HydrophobicContact SD-CB 4.44Å; M76-L99 HydrophobicContact CE-CD1 4.27Å; M76-L99 WeakPolarHBondContact SD-CA 3.5Å; M76-L99 HydrophobicContact SD-CB 3.69Å; M76-L99 HydrophobicContact SD-CD1 3.86Å; M76-L99 HydrophobicContact SD-CG 4.4Å; M76-L102 HydrophobicContact CE-CD2 3.97Å |
| 77 | T | 93.9 | Very high | 90.9 | Very high | 73 Ų | 73 | 55.5 Ų | 55.5 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 177.4 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | V73 I74 F75 E79 I80 V81 | V73-T77 PolarHBondContact O-N 3.25Å; V73-T77 VanDerWaalsContact O-N 3.09Å; V73-T77 PolarHBondContact O-OG1 3.32Å; I74-T77 PolarHBondContact O-N 3.36Å; F75-T77 PolarHBondContact O-N 3.22Å; T77-E79 VanDerWaalsContact C-N 3.31Å; T77-E79 PolarHBondContact O-N 3.27Å; T77-I80 PolarHBondContact O-N 3.48Å; T77-V81 WeakPolarHBondContact O-CG2 3.39Å; T77-V81 PolarHBondContact O-N 3.1Å; T77-V81 VanDerWaalsContact O-N 3.17Å |
| 78 | A | 94.9 | Very high | 91.4 | Very high | 44 Ų | 44 | 51 Ų | 51 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | I74 F75 M76 G82 | I74-A78 PolarHBondContact O-N 3.41Å; I74-A78 VanDerWaalsContact O-N 3.11Å; F75-A78 CarbonylContact O-C 3.57Å; F75-A78 WeakPolarHBondContact O-CA 3.5Å; F75-A78 WeakPolarHBondContact O-CB 3.49Å; F75-A78 PolarHBondContact O-N 2.72Å; M76-A78 PolarHBondContact O-N 3.38Å; A78-G82 VanDerWaalsContact O-CA 3.31Å; A78-G82 WeakPolarHBondContact O-CA 3.3Å; A78-G82 PolarHBondContact O-N 3.23Å |
| 79 | E | 94 | Very high | 91.9 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.1 | -37.8 | 176 | -66.3 | -166.3 | 131 | 0 | 0 | 113.4 | F75 M76 T77 G82 G83 I91 A95 L98 | F75-E79 HydrophobicContact CD1-CG 4.19Å; F75-E79 HydrophobicContact CD2-CG 4.46Å; F75-E79 HydrophobicContact CE1-CG 3.63Å; F75-E79 WeakPolarHBondContact CE1-OE1 3.5Å; F75-E79 HydrophobicContact CE2-CG 3.92Å; F75-E79 HydrophobicContact CZ-CG 3.43Å; F75-E79 VanDerWaalsContact CZ-CG 3.43Å; F75-E79 WeakPolarHBondContact CZ-OE1 3.46Å; F75-E79 PolarHBondContact O-N 2.84Å; M76-E79 PolarHBondContact O-N 3.02Å; T77-E79 VanDerWaalsContact C-N 3.31Å; T77-E79 PolarHBondContact O-N 3.27Å; E79-G82 PolarHBondContact O-N 3.39Å; E79-G83 WeakPolarHBondContact O-CA 3.35Å; E79-G83 PolarHBondContact O-N 2.96Å; E79-I91 HydrophobicContact CB-CG2 3.92Å; E79-I91 HydrophobicContact CG-CG2 4.32Å; E79-I91 WeakPolarHBondContact O-CG2 3.49Å; E79-A95 HydrophobicContact CB-CB 3.68Å; E79-A95 PolarHBondContact OE2-N 2.98Å; E79-L98 VanDerWaalsContact OE2-CD1 3.24Å; E79-L98 WeakPolarHBondContact OE2-CD1 3.22Å |
| 80 | I | 95.2 | Very high | 92.3 | Very high | 81 Ų | 81 | 47.2 Ų | 47.2 | 42% | 0.415 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.4 | -51.3 | 174.3 | -68.7 | 169.7 | 0 | 0 | 0 | 109.9 | M76 T77 Y84 A95 | M76-I80 HydrophobicContact CG-CD1 4.22Å; M76-I80 VanDerWaalsContact O-CG1 3.32Å; M76-I80 WeakPolarHBondContact O-CG1 3.46Å; M76-I80 PolarHBondContact O-N 3.28Å; T77-I80 PolarHBondContact O-N 3.48Å; I80-Y84 PolarHBondContact O-N 2.83Å; I80-A95 HydrophobicContact CG1-CB 3.83Å |
| 81 | V | 95.6 | Very high | 92.6 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.7 | -46.3 | -180 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | T77 Y84 L85 | T77-V81 WeakPolarHBondContact O-CG2 3.39Å; T77-V81 PolarHBondContact O-N 3.1Å; T77-V81 VanDerWaalsContact O-N 3.17Å; V81-Y84 PolarHBondContact O-N 2.68Å; V81-L85 HydrophobicContact CG1-CD1 3.94Å; V81-L85 HydrophobicContact CG1-CG 4.44Å; V81-L85 VanDerWaalsContact O-CG 3.29Å; V81-L85 WeakPolarHBondContact O-CG 3.27Å; V81-L85 PolarHBondContact O-N 3.29Å |
| 82 | G | 94.5 | Very high | 92.8 | Very high | 6 Ų | 6 | 43 Ų | 43 | 6% | 0.062 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.5 | -37.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A78 E79 L85 A86 L172 | A78-G82 VanDerWaalsContact O-CA 3.31Å; A78-G82 WeakPolarHBondContact O-CA 3.3Å; A78-G82 PolarHBondContact O-N 3.23Å; E79-G82 PolarHBondContact O-N 3.39Å; G82-L85 PolarHBondContact O-N 2.63Å; G82-A86 WeakPolarHBondContact O-CB 3.46Å; G82-A86 PolarHBondContact O-N 3.25Å; G82-L172 VanDerWaalsContact C-CD1 3.43Å |
| 83 | G | 93.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.7 | -40.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E79 A86 G87 S88 | E79-G83 WeakPolarHBondContact O-CA 3.35Å; E79-G83 PolarHBondContact O-N 2.96Å; G83-A86 PolarHBondContact O-N 2.82Å; G83-G87 PolarHBondContact O-N 3.26Å; G83-S88 PolarHBondContact O-N 3.34Å; G83-S88 VanDerWaalsContact O-N 3.16Å |
| 84 | Y | 93.4 | Very high | 93.1 | Very high | 191 Ų | 191 | 39.5 Ų | 39.5 | 75% | 0.749 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.5 | -46.4 | 172 | -177.7 | -95 | 0 | 0 | 0 | 111.9 | I80 V81 A86 G87 | I80-Y84 PolarHBondContact O-N 2.83Å; V81-Y84 PolarHBondContact O-N 2.68Å; Y84-A86 VanDerWaalsContact C-N 3.34Å; Y84-A86 PolarHBondContact O-N 2.99Å; Y84-G87 PolarHBondContact O-N 3.16Å |
| 85 | L | 94.8 | Very high | 93.2 | Very high | 112 Ų | 112 | 34.4 Ų | 34.4 | 59% | 0.586 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -67 | -33.8 | 178 | -68.7 | 175.4 | 0 | 0 | 0 | 112.9 | V81 G82 I168 | V81-L85 HydrophobicContact CG1-CD1 3.94Å; V81-L85 HydrophobicContact CG1-CG 4.44Å; V81-L85 VanDerWaalsContact O-CG 3.29Å; V81-L85 WeakPolarHBondContact O-CG 3.27Å; V81-L85 PolarHBondContact O-N 3.29Å; G82-L85 PolarHBondContact O-N 2.63Å; L85-I168 HydrophobicContact CB-CD1 4.3Å |
| 86 | A | 92.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -80.1 | -16.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G82 G83 Y84 S88 I91 I164 D165 I168 | G82-A86 WeakPolarHBondContact O-CB 3.46Å; G82-A86 PolarHBondContact O-N 3.25Å; G83-A86 PolarHBondContact O-N 2.82Å; Y84-A86 VanDerWaalsContact C-N 3.34Å; Y84-A86 PolarHBondContact O-N 2.99Å; A86-S88 PolarHBondContact O-N 3.41Å; A86-I91 HydrophobicContact CB-CD1 4.13Å; A86-I164 CarbonylContact O-C 3.56Å; A86-I164 VanDerWaalsContact O-CA 3.32Å; A86-I164 WeakPolarHBondContact O-CA 3.17Å; A86-D165 PolarHBondContact O-N 3.4Å; A86-I168 HydrophobicContact CB-CB 3.97Å; A86-I168 HydrophobicContact CB-CG2 3.8Å |
| 87 | G | 91.1 | Very high | 93.1 | Very high | 29 Ų | 29 | 34.8 Ų | 34.8 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 26.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113 | G83 Y84 R156 | G83-G87 PolarHBondContact O-N 3.26Å; Y84-G87 PolarHBondContact O-N 3.16Å; G87-R156 PolarHBondContact O-NH1 3.46Å; G87-R156 PolarHBondContact O-NH2 2.87Å |
| 88 | S | 92.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -99.6 | 118.1 | -177.1 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | G83 A86 A90 I91 I92 D248 | G83-S88 PolarHBondContact O-N 3.34Å; G83-S88 VanDerWaalsContact O-N 3.16Å; A86-S88 PolarHBondContact O-N 3.41Å; S88-A90 VanDerWaalsContact C-N 3.29Å; S88-A90 PolarHBondContact OG-N 3.47Å; S88-I91 PolarHBondContact OG-N 3.2Å; S88-I92 WeakPolarHBondContact O-CG1 3.28Å; S88-I92 PolarHBondContact O-N 3Å; S88-D248 PolarHBondContact OG-OD1 2.94Å | ||
| 89 | L | 91.9 | Very high | 92.8 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.1 | -30.1 | 174.9 | -175 | 63.4 | 0 | 0 | 0 | 110.8 | I92 T93 L149 I152 A153 D248 T252 | L89-I92 PolarHBondContact O-N 3.49Å; L89-T93 VanDerWaalsContact O-CB 3.29Å; L89-T93 WeakPolarHBondContact O-CB 3.39Å; L89-T93 PolarHBondContact O-N 3.36Å; L89-T93 PolarHBondContact O-OG1 3.32Å; L89-L149 HydrophobicContact CD1-CD2 4.29Å; L89-I152 HydrophobicContact CD1-CB 4.27Å; L89-I152 HydrophobicContact CD1-CG2 3.64Å; L89-I152 HydrophobicContact CD2-CB 4.36Å; L89-I152 HydrophobicContact CD2-CG2 3.93Å; L89-I152 HydrophobicContact CG-CG2 4.44Å; L89-A153 VanDerWaalsContact CD2-CA 3.41Å; L89-A153 HydrophobicContact CD2-CB 3.59Å; L89-D248 VanDerWaalsContact CB-OD2 3.22Å; L89-D248 WeakPolarHBondContact CB-OD2 3.36Å; L89-D248 PolarHBondContact N-OD1 3.28Å; L89-D248 PolarHBondContact N-OD2 3.34Å; L89-T252 HydrophobicContact CD2-CG2 4.19Å; L89-T252 HydrophobicContact CG-CG2 4.37Å |
| 90 | A | 91.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S88 T93 D94 M169 D248 C251 | S88-A90 VanDerWaalsContact C-N 3.29Å; S88-A90 PolarHBondContact OG-N 3.47Å; A90-T93 WeakPolarHBondContact O-CB 3.49Å; A90-T93 PolarHBondContact O-N 2.9Å; A90-D94 PolarHBondContact O-N 2.96Å; A90-M169 HydrophobicContact CB-CE 4.24Å; A90-D248 WeakPolarHBondContact CB-OD1 3.49Å; A90-D248 PolarHBondContact N-OD1 3.5Å; A90-C251 HydrophobicContact CB-CB 4.43Å |
| 91 | I | 92.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.6 | -42.1 | 174.9 | -60.3 | 171.1 | 0 | 0 | 0 | 110.8 | E79 A86 S88 T93 D94 A95 M169 L172 V233 | E79-I91 HydrophobicContact CB-CG2 3.92Å; E79-I91 HydrophobicContact CG-CG2 4.32Å; E79-I91 WeakPolarHBondContact O-CG2 3.49Å; A86-I91 HydrophobicContact CB-CD1 4.13Å; S88-I91 PolarHBondContact OG-N 3.2Å; I91-T93 PolarHBondContact O-N 2.96Å; I91-D94 PolarHBondContact O-N 3.03Å; I91-A95 WeakPolarHBondContact O-CB 3.31Å; I91-A95 PolarHBondContact O-N 2.71Å; I91-M169 HydrophobicContact CD1-CB 3.96Å; I91-M169 HydrophobicContact CD1-CG 3.8Å; I91-M169 HydrophobicContact CG1-CG 4.25Å; I91-L172 HydrophobicContact CD1-CB 4.18Å; I91-L172 HydrophobicContact CD1-CD1 3.8Å; I91-L172 HydrophobicContact CG2-CD1 4.39Å; I91-V233 HydrophobicContact CG1-CG1 4.21Å |
| 92 | I | 93.2 | Very high | 91.9 | Very high | 63 Ų | 63 | 29.6 Ų | 29.6 | 32% | 0.323 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.3 | -34.8 | 175.7 | -66.1 | 169.3 | 0 | 0 | 0 | 110.7 | S88 L89 A96 | S88-I92 WeakPolarHBondContact O-CG1 3.28Å; S88-I92 PolarHBondContact O-N 3Å; L89-I92 PolarHBondContact O-N 3.49Å; I92-A96 WeakPolarHBondContact O-CB 3.4Å; I92-A96 PolarHBondContact O-N 3.06Å |
| 93 | T | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.8 | -48.5 | 175.1 | -61.9 | 0 | 0 | 0 | 0 | 110.8 | L89 A90 I91 A95 A96 H97 L149 T252 | L89-T93 VanDerWaalsContact O-CB 3.29Å; L89-T93 WeakPolarHBondContact O-CB 3.39Å; L89-T93 PolarHBondContact O-N 3.36Å; L89-T93 PolarHBondContact O-OG1 3.32Å; A90-T93 WeakPolarHBondContact O-CB 3.49Å; A90-T93 PolarHBondContact O-N 2.9Å; I91-T93 PolarHBondContact O-N 2.96Å; T93-A95 PolarHBondContact O-N 3.4Å; T93-A96 PolarHBondContact O-N 3.43Å; T93-H97 PolarHBondContact O-CD2 3.4Å; T93-H97 PolarHBondContact O-N 3.23Å; T93-L149 HydrophobicContact CG2-CD1 4.01Å; T93-T252 HydrophobicContact CG2-CG2 4.29Å; T93-T252 WeakPolarHBondContact OG1-CG2 3.32Å; T93-T252 PolarHBondContact OG1-OG1 3.3Å |
| 94 | D | 90.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.5 | -49.4 | 176.5 | -149.9 | 8.3 | 0 | 0 | 0 | 110.1 | A90 I91 A96 H97 L98 S230 | A90-D94 PolarHBondContact O-N 2.96Å; I91-D94 PolarHBondContact O-N 3.03Å; D94-A96 PolarHBondContact O-N 2.85Å; D94-H97 PolarHBondContact O-N 3.49Å; D94-L98 WeakPolarHBondContact O-CG 3.18Å; D94-L98 PolarHBondContact O-N 2.81Å; D94-S230 PolarHBondContact OD2-OG 3.4Å |
| 95 | A | 93.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 2% | 0.017 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.9 | -42.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E79 I80 I91 T93 L99 | E79-A95 HydrophobicContact CB-CB 3.68Å; E79-A95 PolarHBondContact OE2-N 2.98Å; I80-A95 HydrophobicContact CG1-CB 3.83Å; I91-A95 WeakPolarHBondContact O-CB 3.31Å; I91-A95 PolarHBondContact O-N 2.71Å; T93-A95 PolarHBondContact O-N 3.4Å; A95-L99 WeakPolarHBondContact O-CB 3.36Å; A95-L99 PolarHBondContact O-N 3.1Å |
| 96 | A | 93.1 | Very high | 90.8 | Very high | 21 Ų | 21 | 26.2 Ų | 26.2 | 17% | 0.174 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I92 T93 D94 L99 T100 I145 L149 | I92-A96 WeakPolarHBondContact O-CB 3.4Å; I92-A96 PolarHBondContact O-N 3.06Å; T93-A96 PolarHBondContact O-N 3.43Å; D94-A96 PolarHBondContact O-N 2.85Å; A96-L99 PolarHBondContact O-N 3.15Å; A96-T100 PolarHBondContact O-N 2.77Å; A96-T100 PolarHBondContact O-OG1 2.83Å; A96-I145 HydrophobicContact CB-CG2 4Å; A96-L149 HydrophobicContact CB-CD1 4.04Å |
| 97 | H | 89.5 | Confident | 90.7 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.028 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.4 | -51.4 | 174.4 | -76.2 | -57 | 0 | 0 | 0 | 111.2 | T93 D94 L99 T100 D101 | T93-H97 PolarHBondContact O-CD2 3.4Å; T93-H97 PolarHBondContact O-N 3.23Å; D94-H97 PolarHBondContact O-N 3.49Å; H97-L99 VanDerWaalsContact C-N 3.25Å; H97-L99 PolarHBondContact O-N 3.36Å; H97-T100 CarbonylContact O-C 3.58Å; H97-T100 WeakPolarHBondContact O-CA 3.31Å; H97-T100 WeakPolarHBondContact O-CB 3.29Å; H97-T100 PolarHBondContact O-N 2.77Å; H97-D101 VanDerWaalsContact O-CG 3.3Å; H97-D101 PolarHBondContact O-N 3.41Å |
| 98 | L | 90.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.5 | -40.2 | 175.9 | -67.2 | 176.8 | 0 | 0 | 0 | 113 | F75 M76 E79 D94 D101 L102 | F75-L98 HydrophobicContact CD1-CD1 4.1Å; F75-L98 HydrophobicContact CE1-CD1 4.37Å; M76-L98 HydrophobicContact CB-CB 4.3Å; M76-L98 HydrophobicContact CB-CD1 4.29Å; M76-L98 HydrophobicContact CG-CB 4.13Å; M76-L98 HydrophobicContact SD-CB 4.44Å; E79-L98 VanDerWaalsContact OE2-CD1 3.24Å; E79-L98 WeakPolarHBondContact OE2-CD1 3.22Å; D94-L98 WeakPolarHBondContact O-CG 3.18Å; D94-L98 PolarHBondContact O-N 2.81Å; L98-D101 PolarHBondContact O-N 2.99Å; L98-L102 PolarHBondContact O-N 2.9Å |
| 99 | L | 92.4 | Very high | 90 | Very high | 88 Ų | 88 | 32.7 Ų | 32.7 | 46% | 0.461 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.6 | -41.9 | 174.8 | 179.4 | 65.3 | 0 | 0 | 0 | 111.9 | M76 A95 A96 H97 D101 L102 A103 | M76-L99 HydrophobicContact CE-CD1 4.27Å; M76-L99 WeakPolarHBondContact SD-CA 3.5Å; M76-L99 HydrophobicContact SD-CB 3.69Å; M76-L99 HydrophobicContact SD-CD1 3.86Å; M76-L99 HydrophobicContact SD-CG 4.4Å; A95-L99 WeakPolarHBondContact O-CB 3.36Å; A95-L99 PolarHBondContact O-N 3.1Å; A96-L99 PolarHBondContact O-N 3.15Å; H97-L99 VanDerWaalsContact C-N 3.25Å; H97-L99 PolarHBondContact O-N 3.36Å; L99-D101 VanDerWaalsContact C-N 3.27Å; L99-D101 PolarHBondContact O-N 2.81Å; L99-L102 PolarHBondContact O-N 2.94Å; L99-A103 WeakPolarHBondContact O-CB 3.31Å; L99-A103 PolarHBondContact O-N 3.34Å |
| 100 | T | 91.3 | Very high | 89.8 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.3 | -33.7 | 178.8 | -29.8 | 0 | 0 | 0 | 0 | 111.3 | A96 H97 A103 S104 L141 I142 I145 | A96-T100 PolarHBondContact O-N 2.77Å; A96-T100 PolarHBondContact O-OG1 2.83Å; H97-T100 CarbonylContact O-C 3.58Å; H97-T100 WeakPolarHBondContact O-CA 3.31Å; H97-T100 WeakPolarHBondContact O-CB 3.29Å; H97-T100 PolarHBondContact O-N 2.77Å; T100-A103 PolarHBondContact O-N 3.44Å; T100-S104 WeakPolarHBondContact O-CB 3.25Å; T100-S104 PolarHBondContact O-N 2.85Å; T100-S104 PolarHBondContact O-OG 3.18Å; T100-L141 HydrophobicContact CG2-CB 4.25Å; T100-L141 HydrophobicContact CG2-CD2 3.68Å; T100-L141 HydrophobicContact CG2-CG 3.57Å; T100-I142 HydrophobicContact CG2-CB 4.47Å; T100-I142 HydrophobicContact CG2-CG1 3.77Å; T100-I145 HydrophobicContact CG2-CG1 4.2Å |
| 101 | D | 86.5 | Confident | 89.6 | Confident | 35 Ų | 35 | 38.7 Ų | 38.7 | 19% | 0.187 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.7 | -42 | 176.2 | -63.5 | -42.6 | 0 | 0 | 0 | 111.9 | H97 L98 L99 A103 S104 F105 H222 | H97-D101 VanDerWaalsContact O-CG 3.3Å; H97-D101 PolarHBondContact O-N 3.41Å; L98-D101 PolarHBondContact O-N 2.99Å; L99-D101 VanDerWaalsContact C-N 3.27Å; L99-D101 PolarHBondContact O-N 2.81Å; D101-A103 VanDerWaalsContact C-N 3.31Å; D101-A103 PolarHBondContact O-N 2.89Å; D101-S104 PolarHBondContact O-N 2.8Å; D101-F105 WeakPolarHBondContact O-CB 3.16Å; D101-F105 PolarHBondContact O-N 3.26Å; D101-H222 WeakPolarHBondContact CB-NE2 3.44Å; D101-H222 VanDerWaalsContact CG-NE2 3.3Å; D101-H222 IonicContact OD1-CE1 3.82Å; D101-H222 PolarHBondContact OD1-CE1 3.38Å; D101-H222 VanDerWaalsContact OD1-CE1 3.31Å; D101-H222 IonicContact OD1-NE2 3.1Å; D101-H222 IonicContact OD2-CE1 3.31Å; D101-H222 PolarHBondContact OD2-CE1 3.32Å; D101-H222 IonicContact OD2-NE2 3.71Å; D101-H222 PolarHBondContact OD2-NE2 3.36Å |
| 102 | L | 88.8 | Confident | 89.1 | Confident | 42 Ų | 42 | 43.1 Ų | 43.1 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.8 | -46 | 170.6 | 177.7 | 62.3 | 0 | 0 | 0 | 111.1 | V73 M76 L98 L99 F105 L106 | V73-L102 HydrophobicContact CG2-CD2 4.05Å; M76-L102 HydrophobicContact CE-CD2 3.97Å; L98-L102 PolarHBondContact O-N 2.9Å; L99-L102 PolarHBondContact O-N 2.94Å; L102-F105 PolarHBondContact O-N 3.15Å; L102-L106 WeakPolarHBondContact O-CG 3.44Å; L102-L106 PolarHBondContact O-N 2.96Å |
| 103 | A | 91 | Very high | 88.7 | Confident | 28 Ų | 28 | 48 Ų | 48 | 23% | 0.231 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L99 T100 D101 F105 L106 I107 L141 | L99-A103 WeakPolarHBondContact O-CB 3.31Å; L99-A103 PolarHBondContact O-N 3.34Å; T100-A103 PolarHBondContact O-N 3.44Å; D101-A103 VanDerWaalsContact C-N 3.31Å; D101-A103 PolarHBondContact O-N 2.89Å; A103-F105 VanDerWaalsContact C-N 3.3Å; A103-F105 PolarHBondContact O-N 3.04Å; A103-L106 PolarHBondContact O-N 2.85Å; A103-I107 WeakPolarHBondContact O-CD1 3.21Å; A103-I107 VanDerWaalsContact O-CG1 3.25Å; A103-I107 WeakPolarHBondContact O-CG1 3.38Å; A103-I107 PolarHBondContact O-N 3.49Å; A103-L141 HydrophobicContact CB-CD2 3.87Å |
| 104 | S | 89 | Confident | 88.4 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 177.6 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | T100 D101 I107 S108 S138 | T100-S104 WeakPolarHBondContact O-CB 3.25Å; T100-S104 PolarHBondContact O-N 2.85Å; T100-S104 PolarHBondContact O-OG 3.18Å; D101-S104 PolarHBondContact O-N 2.8Å; S104-I107 PolarHBondContact O-N 3.43Å; S104-S108 WeakPolarHBondContact O-CB 3.35Å; S104-S108 PolarHBondContact O-N 2.98Å; S104-S108 PolarHBondContact O-OG 2.93Å; S104-S138 WeakPolarHBondContact OG-CB 3.43Å |
| 105 | F | 85 | Confident | 88.1 | Confident | 98 Ų | 98 | 50.4 Ų | 50.4 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 174.1 | 176.8 | -106.2 | 0 | 0 | 0 | 111.9 | M69 D101 L102 A103 I107 S108 L109 | M69-F105 HydrophobicContact SD-CD1 4.23Å; M69-F105 HydrophobicContact SD-CE1 3.73Å; D101-F105 WeakPolarHBondContact O-CB 3.16Å; D101-F105 PolarHBondContact O-N 3.26Å; L102-F105 PolarHBondContact O-N 3.15Å; A103-F105 VanDerWaalsContact C-N 3.3Å; A103-F105 PolarHBondContact O-N 3.04Å; F105-I107 VanDerWaalsContact C-N 3.35Å; F105-I107 PolarHBondContact O-N 3.35Å; F105-S108 WeakPolarHBondContact O-CB 3.45Å; F105-S108 PolarHBondContact O-N 3.44Å; F105-L109 HydrophobicContact CD1-CD1 4.06Å; F105-L109 HydrophobicContact CD1-CG 4.49Å; F105-L109 HydrophobicContact CE1-CD1 3.45Å; F105-L109 VanDerWaalsContact CE1-CD1 3.45Å; F105-L109 HydrophobicContact CE1-CG 4.06Å; F105-L109 HydrophobicContact CE2-CD2 4.39Å; F105-L109 HydrophobicContact CE2-CG 4.29Å; F105-L109 HydrophobicContact CZ-CD1 3.71Å; F105-L109 HydrophobicContact CZ-CD2 4.1Å; F105-L109 HydrophobicContact CZ-CG 3.95Å; F105-L109 WeakPolarHBondContact O-CG 3.28Å; F105-L109 PolarHBondContact O-N 3.23Å |
| 106 | L | 88.9 | Confident | 87.6 | Confident | 98 Ų | 98 | 54.6 Ų | 54.6 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 176.4 | -67.7 | 174.8 | 0 | 0 | 0 | 111.9 | L102 A103 S108 L109 F110 | L102-L106 WeakPolarHBondContact O-CG 3.44Å; L102-L106 PolarHBondContact O-N 2.96Å; A103-L106 PolarHBondContact O-N 2.85Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-L109 PolarHBondContact O-N 3.34Å; L106-F110 PolarHBondContact O-N 3.39Å |
| 107 | I | 90.6 | Very high | 87.3 | Confident | 44 Ų | 44 | 59.9 Ų | 59.9 | 23% | 0.226 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 174.1 | -68.8 | 163.2 | 0 | 0 | 0 | 110.1 | A103 S104 F105 L109 F110 S111 G134 V137 | A103-I107 WeakPolarHBondContact O-CD1 3.21Å; A103-I107 VanDerWaalsContact O-CG1 3.25Å; A103-I107 WeakPolarHBondContact O-CG1 3.38Å; A103-I107 PolarHBondContact O-N 3.49Å; S104-I107 PolarHBondContact O-N 3.43Å; F105-I107 VanDerWaalsContact C-N 3.35Å; F105-I107 PolarHBondContact O-N 3.35Å; I107-L109 PolarHBondContact O-N 2.95Å; I107-F110 PolarHBondContact O-N 2.85Å; I107-S111 WeakPolarHBondContact O-CB 3.46Å; I107-S111 PolarHBondContact O-N 3.22Å; I107-S111 PolarHBondContact O-OG 3.4Å; I107-G134 WeakPolarHBondContact CG2-O 3.23Å; I107-V137 HydrophobicContact CD1-CG1 4.14Å |
| 108 | S | 83.4 | Confident | 86.8 | Confident | 48 Ų | 48 | 67.8 Ų | 67.8 | 34% | 0.336 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 178.5 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | S104 F105 L106 S111 M112 | S104-S108 WeakPolarHBondContact O-CB 3.35Å; S104-S108 PolarHBondContact O-N 2.98Å; S104-S108 PolarHBondContact O-OG 2.93Å; F105-S108 WeakPolarHBondContact O-CB 3.45Å; F105-S108 PolarHBondContact O-N 3.44Å; L106-S108 VanDerWaalsContact C-N 3.33Å; S108-S111 PolarHBondContact O-N 3.49Å; S108-M112 WeakPolarHBondContact O-CB 3.45Å; S108-M112 WeakPolarHBondContact O-CG 3.34Å; S108-M112 PolarHBondContact O-N 3.43Å |
| 109 | L | 84.1 | Confident | 86.6 | Confident | 77 Ų | 77 | 70.6 Ų | 70.6 | 40% | 0.403 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.2 | -74.1 | 179.6 | 0 | 0 | 0 | 111.8 | F105 L106 I107 M112 Y113 | F105-L109 HydrophobicContact CD1-CD1 4.06Å; F105-L109 HydrophobicContact CD1-CG 4.49Å; F105-L109 HydrophobicContact CE1-CD1 3.45Å; F105-L109 VanDerWaalsContact CE1-CD1 3.45Å; F105-L109 HydrophobicContact CE1-CG 4.06Å; F105-L109 HydrophobicContact CE2-CD2 4.39Å; F105-L109 HydrophobicContact CE2-CG 4.29Å; F105-L109 HydrophobicContact CZ-CD1 3.71Å; F105-L109 HydrophobicContact CZ-CD2 4.1Å; F105-L109 HydrophobicContact CZ-CG 3.95Å; F105-L109 WeakPolarHBondContact O-CG 3.28Å; F105-L109 PolarHBondContact O-N 3.23Å; L106-L109 PolarHBondContact O-N 3.34Å; I107-L109 PolarHBondContact O-N 2.95Å; L109-M112 HydrophobicContact CD2-CE 3.68Å; L109-M112 PolarHBondContact O-N 2.9Å; L109-Y113 WeakPolarHBondContact O-CB 3.37Å; L109-Y113 PolarHBondContact O-N 3.42Å |
| 110 | F | 87.7 | Confident | 86.3 | Confident | 125 Ų | 125 | 69.3 Ų | 69.3 | 55% | 0.548 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 177.9 | 177.6 | -106.7 | 0 | 0 | 0 | 111.9 | L106 I107 M112 Y113 M114 | L106-F110 PolarHBondContact O-N 3.39Å; I107-F110 PolarHBondContact O-N 2.85Å; F110-M112 PolarHBondContact O-N 3.48Å; F110-Y113 WeakPolarHBondContact O-CB 3.15Å; F110-Y113 PolarHBondContact O-N 3.02Å; F110-M114 HydrophobicContact CD1-CG 4.47Å; F110-M114 HydrophobicContact CD1-SD 4.02Å; F110-M114 HydrophobicContact CE1-CG 4.06Å; F110-M114 HydrophobicContact CE1-SD 3.24Å; F110-M114 WeakPolarHBondContact CE1-SD 3.31Å; F110-M114 HydrophobicContact CE2-CG 4.27Å; F110-M114 HydrophobicContact CE2-SD 4.3Å; F110-M114 HydrophobicContact CZ-CG 3.95Å; F110-M114 HydrophobicContact CZ-SD 3.41Å; F110-M114 WeakPolarHBondContact CZ-SD 3.29Å; F110-M114 WeakPolarHBondContact O-CG 3.08Å; F110-M114 PolarHBondContact O-N 2.95Å |
| 111 | S | 88.2 | Confident | 86.1 | Confident | 10 Ų | 10 | 81.5 Ų | 81.5 | 7% | 0.07 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 176 | -80.3 | 0 | 0 | 0 | 0 | 112.7 | I107 S108 M114 A115 A130 G134 | I107-S111 WeakPolarHBondContact O-CB 3.46Å; I107-S111 PolarHBondContact O-N 3.22Å; I107-S111 PolarHBondContact O-OG 3.4Å; S108-S111 PolarHBondContact O-N 3.49Å; S111-M114 PolarHBondContact O-N 3.27Å; S111-A115 VanDerWaalsContact O-CB 3.24Å; S111-A115 WeakPolarHBondContact O-CB 3.39Å; S111-A115 PolarHBondContact O-N 2.96Å; S111-A130 VanDerWaalsContact CB-O 3.26Å; S111-A130 WeakPolarHBondContact CB-O 3.41Å; S111-A130 PolarHBondContact OG-O 2.83Å; S111-G134 VanDerWaalsContact OG-CA 3.26Å; S111-G134 WeakPolarHBondContact OG-CA 3.45Å |
| 112 | M | 82.4 | Confident | 86.2 | Confident | 94 Ų | 94 | 89.3 Ų | 89.3 | 46% | 0.463 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 172.9 | -76 | -171.3 | -63.4 | 0 | 0 | 111.5 | S108 L109 F110 M114 A115 S116 | S108-M112 WeakPolarHBondContact O-CB 3.45Å; S108-M112 WeakPolarHBondContact O-CG 3.34Å; S108-M112 PolarHBondContact O-N 3.43Å; L109-M112 HydrophobicContact CD2-CE 3.68Å; L109-M112 PolarHBondContact O-N 2.9Å; F110-M112 PolarHBondContact O-N 3.48Å; M112-M114 VanDerWaalsContact C-N 3.33Å; M112-M114 PolarHBondContact O-N 3.17Å; M112-A115 PolarHBondContact O-N 2.72Å; M112-S116 PolarHBondContact O-N 3.15Å |
| 113 | Y | 84.6 | Confident | 86.2 | Confident | 165 Ų | 165 | 90.8 Ų | 90.8 | 65% | 0.647 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58 | -46.9 | 174.6 | 172.8 | -102 | 0 | 0 | 0 | 111 | L109 F110 S116 | L109-Y113 WeakPolarHBondContact O-CB 3.37Å; L109-Y113 PolarHBondContact O-N 3.42Å; F110-Y113 WeakPolarHBondContact O-CB 3.15Å; F110-Y113 PolarHBondContact O-N 3.02Å; Y113-S116 PolarHBondContact O-N 3.21Å; Y113-S116 PolarHBondContact O-OG 2.69Å |
| 114 | M | 84.9 | Confident | 86 | Confident | 44 Ų | 44 | 94 Ų | 94 | 22% | 0.217 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.6 | -70.2 | -169.3 | 72.9 | 0 | 0 | 112.5 | F110 S111 M112 S116 R117 W127 A130 | F110-M114 HydrophobicContact CD1-CG 4.47Å; F110-M114 HydrophobicContact CD1-SD 4.02Å; F110-M114 HydrophobicContact CE1-CG 4.06Å; F110-M114 HydrophobicContact CE1-SD 3.24Å; F110-M114 WeakPolarHBondContact CE1-SD 3.31Å; F110-M114 HydrophobicContact CE2-CG 4.27Å; F110-M114 HydrophobicContact CE2-SD 4.3Å; F110-M114 HydrophobicContact CZ-CG 3.95Å; F110-M114 HydrophobicContact CZ-SD 3.41Å; F110-M114 WeakPolarHBondContact CZ-SD 3.29Å; F110-M114 WeakPolarHBondContact O-CG 3.08Å; F110-M114 PolarHBondContact O-N 2.95Å; S111-M114 PolarHBondContact O-N 3.27Å; M112-M114 VanDerWaalsContact C-N 3.33Å; M112-M114 PolarHBondContact O-N 3.17Å; M114-S116 PolarHBondContact O-N 3Å; M114-R117 WeakPolarHBondContact O-CB 3.39Å; M114-R117 WeakPolarHBondContact O-CG 3.03Å; M114-R117 PolarHBondContact O-N 3.38Å; M114-R117 VanDerWaalsContact O-N 3.13Å; M114-W127 HydrophobicContact CE-CE3 3.56Å; M114-W127 HydrophobicContact CE-CH2 4.17Å; M114-W127 HydrophobicContact CE-CZ3 3.28Å; M114-W127 WeakPolarHBondContact O-CB 3.47Å; M114-A130 HydrophobicContact CB-CB 3.95Å |
| 115 | A | 85.4 | Confident | 85.8 | Confident | 10 Ų | 10 | 98.3 Ų | 98.3 | 8% | 0.083 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -67 | -19.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S111 M112 R117 W127 H128 E131 | S111-A115 VanDerWaalsContact O-CB 3.24Å; S111-A115 WeakPolarHBondContact O-CB 3.39Å; S111-A115 PolarHBondContact O-N 2.96Å; M112-A115 PolarHBondContact O-N 2.72Å; A115-R117 VanDerWaalsContact C-N 3.28Å; A115-W127 WeakPolarHBondContact CA-O 3.18Å; A115-H128 PolarHBondContact O-ND1 3.18Å; A115-E131 HydrophobicContact CB-CB 4.48Å |
| 116 | S | 83.1 | Confident | 85.9 | Confident | 90 Ų | 90 | 94.2 Ų | 94.2 | 63% | 0.629 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -11.2 | 175.9 | 77.9 | 0 | 0 | 0 | 0 | 113.7 | M112 Y113 M114 | M112-S116 PolarHBondContact O-N 3.15Å; Y113-S116 PolarHBondContact O-N 3.21Å; Y113-S116 PolarHBondContact O-OG 2.69Å; M114-S116 PolarHBondContact O-N 3Å |
| 117 | R | 85.6 | Confident | 85.9 | Confident | 133 Ų | 133 | 92.7 Ų | 92.7 | 50% | 0.502 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -69.7 | 143.6 | 177.3 | -63.6 | -175.1 | 71.3 | -168.1 | 3.8 | 111.7 | M114 A115 W127 | M114-R117 WeakPolarHBondContact O-CB 3.39Å; M114-R117 WeakPolarHBondContact O-CG 3.03Å; M114-R117 PolarHBondContact O-N 3.38Å; M114-R117 VanDerWaalsContact O-N 3.13Å; A115-R117 VanDerWaalsContact C-N 3.28Å; R117-W127 HydrophobicContact CB-CG 4.16Å |
| 118 | E | 79.9 | Confident | 85.7 | Confident | 172 Ų | 172 | 92.3 Ų | 92.3 | 80% | 0.804 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 157.2 | 177 | -64.1 | -177.4 | 179 | 0 | 0 | 113.1 | ||
| 119 | A | 85.5 | Confident | 86 | Confident | 62 Ų | 62 | 93.4 Ų | 93.4 | 51% | 0.512 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -63 | 148.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 120 | T | 86.3 | Confident | 86.2 | Confident | 61 Ų | 61 | 90.2 Ų | 90.2 | 37% | 0.374 | 43% | 0.434 | S | S | . | . | B | Isolated β-bridge | trans | -124.4 | 162 | 177.3 | 65.4 | 0 | 0 | 0 | 0 | 109.4 | K122 L123 S124 | T120-K122 PolarHBondContact O-N 3.3Å; T120-L123 PolarHBondContact N-O 3.02Å; T120-L123 VanDerWaalsContact N-O 3.11Å; T120-L123 CarbonylContact O-C 3.02Å; T120-L123 PolarHBondContact O-N 2.77Å; T120-L123 PolarHBondContact OG1-N 3.35Å; T120-S124 PolarHBondContact O-N 3.35Å |
| 121 | R | 86.8 | Confident | 86.2 | Confident | 262 Ų | 262 | 87.7 Ų | 87.7 | 99% | 0.989 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26 | 177.1 | -64.7 | -176.3 | -176.7 | -179.3 | 0.5 | 113.7 | ||
| 122 | K | 88.8 | Confident | 86.3 | Confident | 199 Ų | 199 | 87.5 Ų | 87.5 | 87% | 0.865 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -26.8 | 175.9 | -65.9 | -173.5 | 178.6 | -176.4 | 0 | 113.2 | T120 | T120-K122 PolarHBondContact O-N 3.3Š|
| 123 | L | 88.3 | Confident | 86.8 | Confident | 72 Ų | 72 | 87.2 Ų | 87.2 | 38% | 0.377 | 42% | 0.422 | S | S | . | . | B | Isolated β-bridge | trans | -127.8 | 85 | -178.7 | -62.4 | 175.4 | 0 | 0 | 0 | 108 | T120 F125 G126 W127 | T120-L123 PolarHBondContact N-O 3.02Å; T120-L123 VanDerWaalsContact N-O 3.11Å; T120-L123 CarbonylContact O-C 3.02Å; T120-L123 PolarHBondContact O-N 2.77Å; T120-L123 PolarHBondContact OG1-N 3.35Å; L123-F125 VanDerWaalsContact C-N 3.29Å; L123-F125 PolarHBondContact O-N 3.35Å; L123-G126 WeakPolarHBondContact O-CA 3.26Å; L123-G126 PolarHBondContact O-N 3.06Å; L123-W127 HydrophobicContact CD1-CD2 3.91Å; L123-W127 HydrophobicContact CD1-CE3 4.28Å; L123-W127 HydrophobicContact CD1-CG 4.41Å; L123-W127 HydrophobicContact CD1-CH2 4.24Å; L123-W127 HydrophobicContact CD1-CZ2 3.86Å; L123-W127 HydrophobicContact CD1-CZ3 4.43Å |
| 124 | S | 86.8 | Confident | 87.1 | Confident | 95 Ų | 95 | 79.6 Ų | 79.6 | 66% | 0.664 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -34.6 | -174.2 | 51.1 | 0 | 0 | 0 | 0 | 113.2 | T120 G126 | T120-S124 PolarHBondContact O-N 3.35Å; S124-G126 VanDerWaalsContact C-N 3.28Å |
| 125 | F | 84.5 | Confident | 87.3 | Confident | 105 Ų | 105 | 78.9 Ų | 78.9 | 46% | 0.461 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 6.1 | 172.7 | -65.8 | -71.7 | 0 | 0 | 0 | 113.6 | L123 H128 L308 | L123-F125 VanDerWaalsContact C-N 3.29Å; L123-F125 PolarHBondContact O-N 3.35Å; F125-H128 PolarHBondContact O-CD2 2.97Å; F125-L308 HydrophobicContact CB-CD2 4.06Å; F125-L308 HydrophobicContact CD1-CD1 4.27Å; F125-L308 HydrophobicContact CD1-CD2 4.01Å; F125-L308 HydrophobicContact CD2-CD2 4.27Å; F125-L308 HydrophobicContact CG-CD2 3.86Å |
| 126 | G | 88.2 | Confident | 87.7 | Confident | 12 Ų | 12 | 80.2 Ų | 80.2 | 12% | 0.124 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | -152.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L123 S124 H128 | L123-G126 WeakPolarHBondContact O-CA 3.26Å; L123-G126 PolarHBondContact O-N 3.06Å; S124-G126 VanDerWaalsContact C-N 3.28Å; G126-H128 VanDerWaalsContact C-N 3.35Å; G126-H128 PolarHBondContact O-N 2.94Å |
| 127 | W | 88.4 | Confident | 88.3 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 25% | 0.254 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 16.1 | -168.1 | -69.6 | 83.4 | 0 | 0 | 0 | 113.6 | M114 A115 R117 L123 R129 A130 | M114-W127 HydrophobicContact CE-CE3 3.56Å; M114-W127 HydrophobicContact CE-CH2 4.17Å; M114-W127 HydrophobicContact CE-CZ3 3.28Å; M114-W127 WeakPolarHBondContact O-CB 3.47Å; A115-W127 WeakPolarHBondContact CA-O 3.18Å; R117-W127 HydrophobicContact CB-CG 4.16Å; L123-W127 HydrophobicContact CD1-CD2 3.91Å; L123-W127 HydrophobicContact CD1-CE3 4.28Å; L123-W127 HydrophobicContact CD1-CG 4.41Å; L123-W127 HydrophobicContact CD1-CH2 4.24Å; L123-W127 HydrophobicContact CD1-CZ2 3.86Å; L123-W127 HydrophobicContact CD1-CZ3 4.43Å; W127-R129 PolarHBondContact O-N 3.34Å; W127-R129 VanDerWaalsContact O-N 3.16Å; W127-A130 WeakPolarHBondContact O-CB 3.37Å; W127-A130 PolarHBondContact O-N 3.25Å |
| 128 | H | 86.4 | Confident | 88.6 | Confident | 36 Ų | 36 | 73.7 Ų | 73.7 | 17% | 0.167 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33.4 | -173.1 | -63.2 | -23.7 | 0 | 0 | 0 | 113.7 | A115 F125 G126 A130 E131 T309 K312 | A115-H128 PolarHBondContact O-ND1 3.18Å; F125-H128 PolarHBondContact O-CD2 2.97Å; G126-H128 VanDerWaalsContact C-N 3.35Å; G126-H128 PolarHBondContact O-N 2.94Å; H128-A130 PolarHBondContact O-N 3.5Å; H128-E131 WeakPolarHBondContact O-CB 3.3Å; H128-E131 PolarHBondContact O-N 3.47Å; H128-T309 HydrophobicContact CB-CG2 3.7Å; H128-T309 VanDerWaalsContact O-CG2 3.23Å; H128-T309 WeakPolarHBondContact O-CG2 3.08Å; H128-K312 PolarHBondContact CD2-NZ 3.15Å; H128-K312 VanDerWaalsContact CD2-NZ 3.29Å; H128-K312 PolarHBondContact CE1-NZ 2.87Å; H128-K312 VanDerWaalsContact CG-NZ 3.32Å; H128-K312 PolarHBondContact ND1-NZ 2.94Å; H128-K312 PolarHBondContact NE2-NZ 2.88Å |
| 129 | R | 89.9 | Confident | 89.2 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.2 | -15.9 | 175.7 | -68.2 | -169.9 | 177.3 | -80.6 | 10 | 114.1 | W127 E131 V132 L133 V273 E276 | W127-R129 PolarHBondContact O-N 3.34Å; W127-R129 VanDerWaalsContact O-N 3.16Å; R129-E131 PolarHBondContact O-N 3.48Å; R129-V132 PolarHBondContact O-N 2.94Å; R129-V132 VanDerWaalsContact O-N 3.17Å; R129-L133 WeakPolarHBondContact O-CG 3.27Å; R129-L133 PolarHBondContact O-N 3.1Å; R129-V273 PolarHBondContact NH1-O 3.49Å; R129-V273 VanDerWaalsContact NH1-O 3.14Å; R129-E276 IonicContact NH2-OE1 2.89Å; R129-E276 PolarHBondContact NH2-OE1 3.01Å |
| 130 | A | 89.3 | Confident | 89.7 | Confident | 11 Ų | 11 | 67 Ų | 67 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.4 | -30.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S111 M114 W127 H128 G134 | S111-A130 VanDerWaalsContact CB-O 3.26Å; S111-A130 WeakPolarHBondContact CB-O 3.41Å; S111-A130 PolarHBondContact OG-O 2.83Å; M114-A130 HydrophobicContact CB-CB 3.95Å; W127-A130 WeakPolarHBondContact O-CB 3.37Å; W127-A130 PolarHBondContact O-N 3.25Å; H128-A130 PolarHBondContact O-N 3.5Å; A130-G134 PolarHBondContact O-N 3.16Å |
| 131 | E | 86.5 | Confident | 90.1 | Very high | 71 Ų | 71 | 66.6 Ų | 66.6 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 173.4 | -169.7 | -175.8 | 150.7 | 0 | 0 | 111.4 | A115 H128 R129 L133 G134 A135 | A115-E131 HydrophobicContact CB-CB 4.48Å; H128-E131 WeakPolarHBondContact O-CB 3.3Å; H128-E131 PolarHBondContact O-N 3.47Å; R129-E131 PolarHBondContact O-N 3.48Å; E131-L133 PolarHBondContact O-N 2.82Å; E131-G134 PolarHBondContact O-N 3.22Å; E131-A135 PolarHBondContact O-N 3.15Å |
| 132 | V | 91 | Very high | 90.4 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -39.9 | -179.4 | -173.9 | 0 | 0 | 0 | 0 | 111 | R129 A135 L136 V270 V273 L274 | R129-V132 PolarHBondContact O-N 2.94Å; R129-V132 VanDerWaalsContact O-N 3.17Å; V132-A135 PolarHBondContact O-N 3.5Å; V132-L136 PolarHBondContact O-N 3.19Å; V132-V270 HydrophobicContact CG1-CG1 3.91Å; V132-V273 HydrophobicContact CB-CG1 4.44Å; V132-V273 HydrophobicContact CG1-CB 4.1Å; V132-V273 HydrophobicContact CG1-CG1 4.02Å; V132-V273 HydrophobicContact CG2-CB 4.43Å; V132-V273 HydrophobicContact CG2-CG1 3.59Å; V132-L274 HydrophobicContact CB-CD2 4.46Å; V132-L274 HydrophobicContact CG1-CD1 4.49Å; V132-L274 HydrophobicContact CG1-CD2 3.8Å; V132-L274 HydrophobicContact CG1-CG 3.8Å |
| 133 | L | 92.4 | Very high | 90.7 | Very high | 89 Ų | 89 | 49.7 Ų | 49.7 | 47% | 0.466 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 175.3 | -68.6 | 175.7 | 0 | 0 | 0 | 112.2 | R129 E131 L136 V137 L274 | R129-L133 WeakPolarHBondContact O-CG 3.27Å; R129-L133 PolarHBondContact O-N 3.1Å; E131-L133 PolarHBondContact O-N 2.82Å; L133-L136 WeakPolarHBondContact O-CB 3.33Å; L133-L136 PolarHBondContact O-N 2.94Å; L133-V137 WeakPolarHBondContact O-CG2 3.39Å; L133-V137 PolarHBondContact O-N 3.29Å; L133-L274 HydrophobicContact CD2-CD2 4.27Å |
| 134 | G | 91.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I107 S111 A130 E131 L136 V137 S138 | I107-G134 WeakPolarHBondContact CG2-O 3.23Å; S111-G134 VanDerWaalsContact OG-CA 3.26Å; S111-G134 WeakPolarHBondContact OG-CA 3.45Å; A130-G134 PolarHBondContact O-N 3.16Å; E131-G134 PolarHBondContact O-N 3.22Å; G134-L136 PolarHBondContact O-N 3.45Å; G134-V137 PolarHBondContact O-N 2.89Å; G134-S138 WeakPolarHBondContact O-CB 3.09Å; G134-S138 PolarHBondContact O-N 3.49Å; G134-S138 PolarHBondContact O-OG 2.95Å |
| 135 | A | 90.2 | Very high | 91.5 | Very high | 30 Ų | 30 | 49 Ų | 49 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E131 V132 S138 V139 V270 | E131-A135 PolarHBondContact O-N 3.15Å; V132-A135 PolarHBondContact O-N 3.5Å; A135-S138 PolarHBondContact O-N 2.93Å; A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 3.11Å; A135-V270 HydrophobicContact CB-CG2 3.82Å |
| 136 | L | 93.8 | Very high | 92 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 19% | 0.194 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58 | -51.8 | 175.6 | -178.2 | 63.3 | 0 | 0 | 0 | 111.8 | V132 L133 G134 S138 V139 I140 M267 V270 L274 | V132-L136 PolarHBondContact O-N 3.19Å; L133-L136 WeakPolarHBondContact O-CB 3.33Å; L133-L136 PolarHBondContact O-N 2.94Å; G134-L136 PolarHBondContact O-N 3.45Å; L136-S138 VanDerWaalsContact C-N 3.28Å; L136-S138 PolarHBondContact O-N 3.49Å; L136-V139 PolarHBondContact O-N 3.22Å; L136-I140 HydrophobicContact CD1-CD1 3.97Å; L136-I140 HydrophobicContact CD1-CG1 4.38Å; L136-I140 HydrophobicContact CD2-CD1 4.47Å; L136-I140 HydrophobicContact CG-CD1 3.83Å; L136-I140 VanDerWaalsContact O-CG1 3.32Å; L136-I140 WeakPolarHBondContact O-CG1 3.28Å; L136-I140 PolarHBondContact O-N 3.09Å; L136-M267 HydrophobicContact CD1-CE 4.21Å; L136-M267 HydrophobicContact CD1-SD 3.64Å; L136-V270 HydrophobicContact CB-CG1 3.67Å; L136-V270 HydrophobicContact CD1-CG1 3.96Å; L136-V270 HydrophobicContact CG-CG1 4.35Å; L136-L274 HydrophobicContact CD2-CD1 3.89Å |
| 137 | V | 94.4 | Very high | 92.3 | Very high | 78 Ų | 78 | 45.9 Ų | 45.9 | 47% | 0.473 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.4 | -41.1 | -179.7 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | I107 L133 G134 I140 L141 | I107-V137 HydrophobicContact CD1-CG1 4.14Å; L133-V137 WeakPolarHBondContact O-CG2 3.39Å; L133-V137 PolarHBondContact O-N 3.29Å; G134-V137 PolarHBondContact O-N 2.89Å; V137-I140 PolarHBondContact O-N 3.35Å; V137-L141 WeakPolarHBondContact O-CB 3.29Å; V137-L141 PolarHBondContact O-N 3.46Å |
| 138 | S | 92.5 | Very high | 92.7 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.3 | -48.6 | 177.5 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | S104 G134 A135 L136 I140 L141 I142 | S104-S138 WeakPolarHBondContact OG-CB 3.43Å; G134-S138 WeakPolarHBondContact O-CB 3.09Å; G134-S138 PolarHBondContact O-N 3.49Å; G134-S138 PolarHBondContact O-OG 2.95Å; A135-S138 PolarHBondContact O-N 2.93Å; L136-S138 VanDerWaalsContact C-N 3.28Å; L136-S138 PolarHBondContact O-N 3.49Å; S138-I140 PolarHBondContact O-N 3.17Å; S138-L141 WeakPolarHBondContact O-CB 3.34Å; S138-L141 PolarHBondContact O-N 2.85Å; S138-I142 WeakPolarHBondContact O-CG1 3.39Å; S138-I142 PolarHBondContact O-N 3.41Å |
| 139 | V | 93.2 | Very high | 93.1 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -41 | 178.1 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | A135 L136 L141 I142 W143 I266 M267 | A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 3.11Å; L136-V139 PolarHBondContact O-N 3.22Å; V139-L141 VanDerWaalsContact C-N 3.31Å; V139-L141 PolarHBondContact O-N 2.96Å; V139-I142 PolarHBondContact O-N 2.81Å; V139-W143 HydrophobicContact CG1-CD2 4.49Å; V139-W143 HydrophobicContact CG1-CZ2 4.39Å; V139-W143 PolarHBondContact O-N 3.31Å; V139-I266 HydrophobicContact CG2-CB 4.42Å; V139-I266 HydrophobicContact CG2-CG2 3.94Å; V139-M267 HydrophobicContact CB-CE 4.29Å; V139-M267 HydrophobicContact CG1-CB 4.16Å; V139-M267 HydrophobicContact CG1-CE 3.66Å; V139-M267 HydrophobicContact CG1-SD 4.33Å |
| 140 | I | 95.3 | Very high | 93.4 | Very high | 87 Ų | 87 | 44.1 Ų | 44.1 | 45% | 0.446 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 176.6 | -70 | 171.7 | 0 | 0 | 0 | 110.9 | L136 V137 S138 W143 L144 M267 | L136-I140 HydrophobicContact CD1-CD1 3.97Å; L136-I140 HydrophobicContact CD1-CG1 4.38Å; L136-I140 HydrophobicContact CD2-CD1 4.47Å; L136-I140 HydrophobicContact CG-CD1 3.83Å; L136-I140 VanDerWaalsContact O-CG1 3.32Å; L136-I140 WeakPolarHBondContact O-CG1 3.28Å; L136-I140 PolarHBondContact O-N 3.09Å; V137-I140 PolarHBondContact O-N 3.35Å; S138-I140 PolarHBondContact O-N 3.17Å; I140-W143 PolarHBondContact O-N 2.96Å; I140-L144 WeakPolarHBondContact O-CB 3.4Å; I140-L144 PolarHBondContact O-N 2.78Å; I140-M267 HydrophobicContact CG1-CE 4.08Å |
| 141 | L | 94 | Very high | 93.8 | Very high | 53 Ų | 53 | 51 Ų | 51 | 28% | 0.277 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 176.9 | -176.2 | 68 | 0 | 0 | 0 | 111.2 | T100 A103 V137 S138 V139 W143 L144 I145 | T100-L141 HydrophobicContact CG2-CB 4.25Å; T100-L141 HydrophobicContact CG2-CD2 3.68Å; T100-L141 HydrophobicContact CG2-CG 3.57Å; A103-L141 HydrophobicContact CB-CD2 3.87Å; V137-L141 WeakPolarHBondContact O-CB 3.29Å; V137-L141 PolarHBondContact O-N 3.46Å; S138-L141 WeakPolarHBondContact O-CB 3.34Å; S138-L141 PolarHBondContact O-N 2.85Å; V139-L141 VanDerWaalsContact C-N 3.31Å; V139-L141 PolarHBondContact O-N 2.96Å; L141-W143 VanDerWaalsContact C-N 3.34Å; L141-W143 PolarHBondContact O-N 3.41Å; L141-L144 PolarHBondContact O-N 3.49Å; L141-I145 WeakPolarHBondContact O-CG1 3.43Å; L141-I145 PolarHBondContact O-N 2.89Å |
| 142 | I | 93.2 | Very high | 94.1 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 9% | 0.087 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 175.4 | -65.4 | 165.8 | 0 | 0 | 0 | 110.8 | T100 S138 V139 L144 I145 T146 V259 T263 | T100-I142 HydrophobicContact CG2-CB 4.47Å; T100-I142 HydrophobicContact CG2-CG1 3.77Å; S138-I142 WeakPolarHBondContact O-CG1 3.39Å; S138-I142 PolarHBondContact O-N 3.41Å; V139-I142 PolarHBondContact O-N 2.81Å; I142-L144 VanDerWaalsContact C-N 3.35Å; I142-L144 PolarHBondContact O-N 3.3Å; I142-I145 PolarHBondContact O-N 3.42Å; I142-T146 VanDerWaalsContact O-CB 3.25Å; I142-T146 WeakPolarHBondContact O-CB 3.35Å; I142-T146 PolarHBondContact O-N 3.07Å; I142-T146 PolarHBondContact O-OG1 2.99Å; I142-V259 HydrophobicContact CG2-CG1 3.45Å; I142-V259 VanDerWaalsContact CG2-CG1 3.45Å; I142-T263 HydrophobicContact CD1-CG2 4.27Å; I142-T263 HydrophobicContact CG2-CG2 4.2Å |
| 143 | W | 95.1 | Very high | 94.3 | Very high | 90 Ų | 90 | 50.6 Ų | 50.6 | 34% | 0.341 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 178.6 | -73.6 | 12.7 | 0 | 0 | 0 | 112.7 | V139 I140 L141 G147 L260 T263 V264 M267 | V139-W143 HydrophobicContact CG1-CD2 4.49Å; V139-W143 HydrophobicContact CG1-CZ2 4.39Å; V139-W143 PolarHBondContact O-N 3.31Å; I140-W143 PolarHBondContact O-N 2.96Å; L141-W143 VanDerWaalsContact C-N 3.34Å; L141-W143 PolarHBondContact O-N 3.41Å; W143-G147 PolarHBondContact O-N 3.27Å; W143-L260 HydrophobicContact CD2-CD1 4.17Å; W143-L260 HydrophobicContact CG-CD1 4.34Å; W143-L260 HydrophobicContact CZ2-CD1 4.1Å; W143-T263 PolarHBondContact NE1-OG1 3.2Å; W143-V264 HydrophobicContact CH2-CG2 4.27Å; W143-V264 HydrophobicContact CZ2-CG2 3.62Å; W143-M267 HydrophobicContact CD2-CE 4.42Å; W143-M267 HydrophobicContact CE3-CE 4.13Å; W143-M267 HydrophobicContact CH2-CB 4.32Å; W143-M267 HydrophobicContact CH2-CE 3.86Å; W143-M267 HydrophobicContact CH2-CG 3.94Å; W143-M267 HydrophobicContact CZ2-CB 4.08Å; W143-M267 HydrophobicContact CZ2-CE 4.14Å; W143-M267 HydrophobicContact CZ2-CG 4.19Å; W143-M267 HydrophobicContact CZ3-CE 3.85Å |
| 144 | L | 96.1 | Very high | 94.5 | Very high | 105 Ų | 105 | 48 Ų | 48 | 55% | 0.55 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.3 | -51.4 | 176.4 | 179.4 | 65.5 | 0 | 0 | 0 | 111.1 | I140 L141 I142 G147 I148 | I140-L144 WeakPolarHBondContact O-CB 3.4Å; I140-L144 PolarHBondContact O-N 2.78Å; L141-L144 PolarHBondContact O-N 3.49Å; I142-L144 VanDerWaalsContact C-N 3.35Å; I142-L144 PolarHBondContact O-N 3.3Å; L144-G147 PolarHBondContact O-N 3.32Å; L144-I148 HydrophobicContact CD1-CD1 4.45Å; L144-I148 HydrophobicContact CG-CD1 4.25Å; L144-I148 WeakPolarHBondContact O-CG1 3.36Å; L144-I148 PolarHBondContact O-N 2.99Å |
| 145 | I | 95.4 | Very high | 94.6 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62 | -45 | 178.3 | -66.6 | -60.6 | 0 | 0 | 0 | 110.8 | A96 T100 L141 I142 G147 I148 L149 | A96-I145 HydrophobicContact CB-CG2 4Å; T100-I145 HydrophobicContact CG2-CG1 4.2Å; L141-I145 WeakPolarHBondContact O-CG1 3.43Å; L141-I145 PolarHBondContact O-N 2.89Å; I142-I145 PolarHBondContact O-N 3.42Å; I145-G147 VanDerWaalsContact C-N 3.32Å; I145-G147 PolarHBondContact O-N 2.98Å; I145-I148 WeakPolarHBondContact O-CB 3.29Å; I145-I148 PolarHBondContact O-N 3.39Å; I145-I148 VanDerWaalsContact O-N 3.16Å; I145-L149 HydrophobicContact CG2-CD1 3.91Å; I145-L149 HydrophobicContact CG2-CG 4.4Å; I145-L149 WeakPolarHBondContact O-CG 3.48Å; I145-L149 PolarHBondContact O-N 2.92Å |
| 146 | T | 94.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 176.7 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | I142 I148 L149 V150 | I142-T146 VanDerWaalsContact O-CB 3.25Å; I142-T146 WeakPolarHBondContact O-CB 3.35Å; I142-T146 PolarHBondContact O-N 3.07Å; I142-T146 PolarHBondContact O-OG1 2.99Å; T146-I148 VanDerWaalsContact C-N 3.33Å; T146-I148 PolarHBondContact O-N 3.25Å; T146-L149 PolarHBondContact O-N 3.08Å; T146-V150 HydrophobicContact CG2-CG2 4.39Å; T146-V150 WeakPolarHBondContact O-CB 3.44Å; T146-V150 VanDerWaalsContact O-CG2 3.26Å; T146-V150 WeakPolarHBondContact O-CG2 3.41Å; T146-V150 PolarHBondContact O-N 2.82Å |
| 147 | G | 96.2 | Very high | 94.6 | Very high | 40 Ų | 40 | 52.3 Ų | 52.3 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | W143 L144 I145 Y151 | W143-G147 PolarHBondContact O-N 3.27Å; L144-G147 PolarHBondContact O-N 3.32Å; I145-G147 VanDerWaalsContact C-N 3.32Å; I145-G147 PolarHBondContact O-N 2.98Å; G147-Y151 WeakPolarHBondContact O-CB 3.16Å; G147-Y151 PolarHBondContact O-N 3.02Å |
| 148 | I | 96.3 | Very high | 94.6 | Very high | 82 Ų | 82 | 54.3 Ų | 54.3 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 174.9 | -67.3 | 164.7 | 0 | 0 | 0 | 110.6 | L144 I145 T146 Y151 I152 | L144-I148 HydrophobicContact CD1-CD1 4.45Å; L144-I148 HydrophobicContact CG-CD1 4.25Å; L144-I148 WeakPolarHBondContact O-CG1 3.36Å; L144-I148 PolarHBondContact O-N 2.99Å; I145-I148 WeakPolarHBondContact O-CB 3.29Å; I145-I148 PolarHBondContact O-N 3.39Å; I145-I148 VanDerWaalsContact O-N 3.16Å; T146-I148 VanDerWaalsContact C-N 3.33Å; T146-I148 PolarHBondContact O-N 3.25Å; I148-Y151 WeakPolarHBondContact O-CB 3.3Å; I148-Y151 PolarHBondContact O-N 3.5Å; I148-I152 HydrophobicContact CG2-CD1 3.86Å; I148-I152 WeakPolarHBondContact O-CG1 3.3Å; I148-I152 PolarHBondContact O-N 2.98Å |
| 149 | L | 94.5 | Very high | 94.5 | Very high | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65 | -40.6 | 179.7 | -66.9 | 169.1 | 0 | 0 | 0 | 112.2 | L89 T93 A96 I145 T146 Y151 I152 A153 T252 | L89-L149 HydrophobicContact CD1-CD2 4.29Å; T93-L149 HydrophobicContact CG2-CD1 4.01Å; A96-L149 HydrophobicContact CB-CD1 4.04Å; I145-L149 HydrophobicContact CG2-CD1 3.91Å; I145-L149 HydrophobicContact CG2-CG 4.4Å; I145-L149 WeakPolarHBondContact O-CG 3.48Å; I145-L149 PolarHBondContact O-N 2.92Å; T146-L149 PolarHBondContact O-N 3.08Å; L149-Y151 VanDerWaalsContact C-N 3.34Å; L149-Y151 PolarHBondContact O-N 3.25Å; L149-I152 PolarHBondContact O-N 3.34Å; L149-A153 WeakPolarHBondContact O-CB 3.24Å; L149-A153 PolarHBondContact O-N 3.11Å; L149-T252 HydrophobicContact CB-CG2 4.24Å |
| 150 | V | 96.1 | Very high | 94.2 | Very high | 46 Ų | 46 | 66.9 Ų | 66.9 | 28% | 0.279 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 173.5 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | T146 A153 A154 F253 S256 | T146-V150 HydrophobicContact CG2-CG2 4.39Å; T146-V150 WeakPolarHBondContact O-CB 3.44Å; T146-V150 VanDerWaalsContact O-CG2 3.26Å; T146-V150 WeakPolarHBondContact O-CG2 3.41Å; T146-V150 PolarHBondContact O-N 2.82Å; V150-A153 PolarHBondContact O-N 3.48Å; V150-A154 WeakPolarHBondContact O-CB 3.43Å; V150-A154 PolarHBondContact O-N 2.96Å; V150-F253 HydrophobicContact CG1-CD1 4.19Å; V150-F253 HydrophobicContact CG1-CE1 3.75Å; V150-S256 VanDerWaalsContact CG2-CB 3.43Å; V150-S256 VanDerWaalsContact CG2-OG 3.3Å; V150-S256 WeakPolarHBondContact CG2-OG 3.34Å |
| 151 | Y | 96.8 | Very high | 93.6 | Very high | 156 Ų | 156 | 67.5 Ų | 67.5 | 61% | 0.612 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.7 | -48 | 175.8 | 175 | -90.5 | 0 | 0 | 0 | 111.4 | G147 I148 L149 A153 A154 E155 | G147-Y151 WeakPolarHBondContact O-CB 3.16Å; G147-Y151 PolarHBondContact O-N 3.02Å; I148-Y151 WeakPolarHBondContact O-CB 3.3Å; I148-Y151 PolarHBondContact O-N 3.5Å; L149-Y151 VanDerWaalsContact C-N 3.34Å; L149-Y151 PolarHBondContact O-N 3.25Å; Y151-A153 VanDerWaalsContact C-N 3.31Å; Y151-A153 PolarHBondContact O-N 2.92Å; Y151-A154 PolarHBondContact O-N 2.92Å; Y151-E155 PolarHBondContact O-N 3.45Å |
| 152 | I | 94.6 | Very high | 93 | Very high | 68 Ų | 68 | 66.6 Ų | 66.6 | 35% | 0.349 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 177.6 | -63.9 | 166.6 | 0 | 0 | 0 | 110.8 | L89 I148 L149 A154 E155 R156 | L89-I152 HydrophobicContact CD1-CB 4.27Å; L89-I152 HydrophobicContact CD1-CG2 3.64Å; L89-I152 HydrophobicContact CD2-CB 4.36Å; L89-I152 HydrophobicContact CD2-CG2 3.93Å; L89-I152 HydrophobicContact CG-CG2 4.44Å; I148-I152 HydrophobicContact CG2-CD1 3.86Å; I148-I152 WeakPolarHBondContact O-CG1 3.3Å; I148-I152 PolarHBondContact O-N 2.98Å; L149-I152 PolarHBondContact O-N 3.34Å; I152-A154 PolarHBondContact O-N 3.25Å; I152-E155 PolarHBondContact O-N 3.06Å; I152-R156 WeakPolarHBondContact O-CB 3.36Å; I152-R156 PolarHBondContact O-N 3.26Å |
| 153 | A | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L89 L149 V150 Y151 R156 I157 P249 T252 F253 | L89-A153 VanDerWaalsContact CD2-CA 3.41Å; L89-A153 HydrophobicContact CD2-CB 3.59Å; L149-A153 WeakPolarHBondContact O-CB 3.24Å; L149-A153 PolarHBondContact O-N 3.11Å; V150-A153 PolarHBondContact O-N 3.48Å; Y151-A153 VanDerWaalsContact C-N 3.31Å; Y151-A153 PolarHBondContact O-N 2.92Å; A153-R156 PolarHBondContact O-N 3.33Å; A153-I157 WeakPolarHBondContact O-CG1 2.85Å; A153-I157 PolarHBondContact O-N 3.07Å; A153-P249 HydrophobicContact CB-CB 4.23Å; A153-T252 HydrophobicContact CB-CG2 3.93Å; A153-F253 HydrophobicContact CB-CD2 4.25Å; A153-F253 HydrophobicContact CB-CE1 4.49Å; A153-F253 HydrophobicContact CB-CE2 3.75Å; A153-F253 HydrophobicContact CB-CZ 3.91Å |
| 154 | A | 95.4 | Very high | 92.2 | Very high | 35 Ų | 35 | 68.1 Ų | 68.1 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V150 Y151 I152 R156 I157 I158 F253 | V150-A154 WeakPolarHBondContact O-CB 3.43Å; V150-A154 PolarHBondContact O-N 2.96Å; Y151-A154 PolarHBondContact O-N 2.92Å; I152-A154 PolarHBondContact O-N 3.25Å; A154-R156 VanDerWaalsContact C-N 3.32Å; A154-R156 PolarHBondContact O-N 2.96Å; A154-I157 PolarHBondContact O-N 3.42Å; A154-I158 WeakPolarHBondContact O-CG1 3.37Å; A154-I158 PolarHBondContact O-N 2.88Å; A154-F253 HydrophobicContact CB-CZ 4.02Å |
| 155 | E | 94.6 | Very high | 92 | Very high | 76 Ų | 76 | 66.2 Ų | 66.2 | 36% | 0.355 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 176.4 | -174.1 | 167.1 | -164.9 | 0 | 0 | 111.6 | Y151 I152 I157 I158 Y159 | Y151-E155 PolarHBondContact O-N 3.45Å; I152-E155 PolarHBondContact O-N 3.06Å; E155-I157 VanDerWaalsContact C-N 3.31Å; E155-I157 PolarHBondContact O-N 3.25Å; E155-I158 PolarHBondContact O-N 3.19Å; E155-I158 VanDerWaalsContact O-N 3.15Å; E155-Y159 HydrophobicContact CG-CD2 3.44Å; E155-Y159 VanDerWaalsContact CG-CD2 3.44Å; E155-Y159 HydrophobicContact CG-CE2 3.5Å; E155-Y159 WeakPolarHBondContact O-CD2 3.32Å; E155-Y159 PolarHBondContact O-N 2.88Å; E155-Y159 WeakPolarHBondContact OE1-CE2 3.39Å |
| 156 | R | 90.9 | Very high | 91.7 | Very high | 26 Ų | 26 | 64.9 Ų | 64.9 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 177.2 | -165.3 | 167.3 | -164.9 | -175.4 | 15.7 | 112.9 | G87 I152 A153 A154 N160 D161 F162 D163 I164 D248 P249 | G87-R156 PolarHBondContact O-NH1 3.46Å; G87-R156 PolarHBondContact O-NH2 2.87Å; I152-R156 WeakPolarHBondContact O-CB 3.36Å; I152-R156 PolarHBondContact O-N 3.26Å; A153-R156 PolarHBondContact O-N 3.33Å; A154-R156 VanDerWaalsContact C-N 3.32Å; A154-R156 PolarHBondContact O-N 2.96Å; R156-N160 PolarHBondContact O-N 2.6Å; R156-D161 WeakPolarHBondContact CG-O 3.41Å; R156-D161 PolarHBondContact NE-O 3.33Å; R156-D161 PolarHBondContact NH2-O 3.32Å; R156-D161 PolarHBondContact O-N 3.03Å; R156-F162 HydrophobicContact CG-CD1 4.28Å; R156-F162 HydrophobicContact CG-CE1 4.13Å; R156-D163 PolarHBondContact NH2-O 3.02Å; R156-I164 VanDerWaalsContact NH2-CG1 3.35Å; R156-D248 IonicContact CZ-OD2 3.72Å; R156-D248 IonicContact NH1-OD2 3.73Å; R156-D248 PolarHBondContact NH1-OD2 3.37Å; R156-P249 HydrophobicContact CB-CG 4.11Å; R156-P249 HydrophobicContact CG-CG 3.98Å |
| 157 | I | 92.6 | Very high | 91.5 | Very high | 59 Ų | 59 | 73.6 Ų | 73.6 | 30% | 0.303 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 175.3 | -67.3 | 178.7 | 0 | 0 | 0 | 111.4 | A153 A154 E155 N160 P249 F253 | A153-I157 WeakPolarHBondContact O-CG1 2.85Å; A153-I157 PolarHBondContact O-N 3.07Å; A154-I157 PolarHBondContact O-N 3.42Å; E155-I157 VanDerWaalsContact C-N 3.31Å; E155-I157 PolarHBondContact O-N 3.25Å; I157-N160 PolarHBondContact O-N 2.94Å; I157-P249 HydrophobicContact CD1-CB 3.93Å; I157-P249 HydrophobicContact CG1-CB 3.72Å; I157-P249 HydrophobicContact CG1-CG 4.05Å; I157-F253 HydrophobicContact CD1-CD2 4.4Å; I157-F253 HydrophobicContact CD1-CE2 3.66Å |
| 158 | I | 93.8 | Very high | 91.4 | Very high | 120 Ų | 120 | 74.2 Ų | 74.2 | 62% | 0.615 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66 | -43.8 | -176.2 | -68.6 | 165.6 | 0 | 0 | 0 | 111.1 | A154 E155 | A154-I158 WeakPolarHBondContact O-CG1 3.37Å; A154-I158 PolarHBondContact O-N 2.88Å; E155-I158 PolarHBondContact O-N 3.19Å; E155-I158 VanDerWaalsContact O-N 3.15Å |
| 159 | Y | 92.1 | Very high | 91.3 | Very high | 166 Ų | 166 | 70.3 Ų | 70.3 | 65% | 0.651 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -88 | -0.6 | -178 | -65 | -61.9 | 0 | 0 | 0 | 114.4 | E155 D161 | E155-Y159 HydrophobicContact CG-CD2 3.44Å; E155-Y159 VanDerWaalsContact CG-CD2 3.44Å; E155-Y159 HydrophobicContact CG-CE2 3.5Å; E155-Y159 WeakPolarHBondContact O-CD2 3.32Å; E155-Y159 PolarHBondContact O-N 2.88Å; E155-Y159 WeakPolarHBondContact OE1-CE2 3.39Å; Y159-D161 PolarHBondContact O-N 2.96Å |
| 160 | N | 85.5 | Confident | 91.2 | Very high | 113 Ų | 113 | 72.6 Ų | 72.6 | 60% | 0.604 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 36.7 | -176.9 | -65.6 | -80 | 0 | 0 | 0 | 113.6 | R156 I157 F162 | R156-N160 PolarHBondContact O-N 2.6Å; I157-N160 PolarHBondContact O-N 2.94Å; N160-F162 VanDerWaalsContact CA-CE2 3.48Å; N160-F162 HydrophobicContact CB-CD2 4.25Å; N160-F162 HydrophobicContact CB-CE2 3.88Å; N160-F162 WeakPolarHBondContact O-CD2 3.12Å; N160-F162 PolarHBondContact O-N 3Å |
| 161 | D | 83 | Confident | 91.2 | Very high | 100 Ų | 100 | 75.4 Ų | 75.4 | 54% | 0.535 | 36% | 0.364 | S | S | . | . | trans | -84.8 | 91.9 | 179.8 | 179.7 | 25.7 | 0 | 0 | 0 | 110.3 | R156 Y159 | R156-D161 WeakPolarHBondContact CG-O 3.41Å; R156-D161 PolarHBondContact NE-O 3.33Å; R156-D161 PolarHBondContact NH2-O 3.32Å; R156-D161 PolarHBondContact O-N 3.03Å; Y159-D161 PolarHBondContact O-N 2.96Å | ||
| 162 | F | 82.1 | Confident | 91.1 | Very high | 34 Ų | 34 | 69 Ų | 69 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | trans | -122.8 | 51.6 | -173.2 | -57.3 | -56.8 | 0 | 0 | 0 | 112.2 | R156 N160 I164 Q245 I246 P249 | R156-F162 HydrophobicContact CG-CD1 4.28Å; R156-F162 HydrophobicContact CG-CE1 4.13Å; N160-F162 VanDerWaalsContact CA-CE2 3.48Å; N160-F162 HydrophobicContact CB-CD2 4.25Å; N160-F162 HydrophobicContact CB-CE2 3.88Å; N160-F162 WeakPolarHBondContact O-CD2 3.12Å; N160-F162 PolarHBondContact O-N 3Å; F162-I164 PolarHBondContact O-N 3.35Å; F162-Q245 HydrophobicContact CB-CB 3.67Å; F162-Q245 HydrophobicContact CG-CB 4.24Å; F162-Q245 PolarHBondContact O-NE2 3.44Å; F162-Q245 PolarHBondContact O-OE1 3.33Å; F162-I246 HydrophobicContact CE1-CB 4.48Å; F162-I246 HydrophobicContact CE1-CG1 4.4Å; F162-I246 HydrophobicContact CZ-CB 4.28Å; F162-I246 HydrophobicContact CZ-CD1 4.48Å; F162-I246 HydrophobicContact CZ-CG1 4.03Å; F162-P249 HydrophobicContact CE1-CG 4.02Å | ||
| 163 | D | 82.9 | Confident | 91.1 | Very high | 129 Ų | 129 | 66 Ų | 66 | 69% | 0.69 | 33% | 0.325 | S | S | * | . | trans | -87.9 | 105.1 | 166.3 | -159.2 | 6.7 | 0 | 0 | 0 | 109.9 | R156 | R156-D163 PolarHBondContact NH2-O 3.02Š| ||
| 164 | I | 88.2 | Confident | 91.1 | Very high | 9 Ų | 9 | 67.6 Ų | 67.6 | 5% | 0.046 | 34% | 0.338 | C | S | . | . | trans | -131 | 120.7 | -178.6 | -53.5 | 176 | 0 | 0 | 0 | 109.2 | A86 R156 F162 A166 M169 I240 Q245 D248 | A86-I164 CarbonylContact O-C 3.56Å; A86-I164 VanDerWaalsContact O-CA 3.32Å; A86-I164 WeakPolarHBondContact O-CA 3.17Å; R156-I164 VanDerWaalsContact NH2-CG1 3.35Å; F162-I164 PolarHBondContact O-N 3.35Å; I164-A166 PolarHBondContact O-N 3.42Å; I164-M169 HydrophobicContact CG2-SD 4.07Å; I164-I240 HydrophobicContact CD1-CD1 4.39Å; I164-I240 HydrophobicContact CG2-CG2 4.49Å; I164-Q245 HydrophobicContact CD1-CB 4.21Å; I164-D248 HydrophobicContact CD1-CB 3.45Å; I164-D248 VanDerWaalsContact CD1-CB 3.45Å | ||
| 165 | D | 90.9 | Very high | 91 | Very high | 66 Ų | 66 | 69 Ų | 69 | 35% | 0.353 | 34% | 0.343 | S | S | . | . | trans | -75.9 | 94.2 | 168.1 | -169.3 | -35 | 0 | 0 | 0 | 109.6 | A86 R167 I168 M169 | A86-D165 PolarHBondContact O-N 3.4Å; D165-R167 PolarHBondContact O-N 2.98Å; D165-R167 VanDerWaalsContact O-N 3.15Å; D165-R167 WeakPolarHBondContact OD1-CA 3.4Å; D165-R167 VanDerWaalsContact OD1-CB 3.3Å; D165-R167 WeakPolarHBondContact OD1-CB 3.27Å; D165-R167 PolarHBondContact OD1-N 3.38Å; D165-I168 HydrophobicContact CB-CB 4.29Å; D165-I168 HydrophobicContact CB-CD1 4.11Å; D165-I168 HydrophobicContact CB-CG1 4.22Å; D165-I168 PolarHBondContact O-N 3.43Å; D165-I168 PolarHBondContact OD1-N 3.1Å; D165-I168 VanDerWaalsContact OD1-N 3.14Å; D165-I168 WeakPolarHBondContact OD2-CD1 3.33Å; D165-M169 WeakPolarHBondContact O-CB 3.39Å; D165-M169 PolarHBondContact O-N 3.31Å | ||
| 166 | A | 88.7 | Confident | 91 | Very high | 19 Ų | 19 | 65.3 Ų | 65.3 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.3 | -25.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I164 L170 I240 | I164-A166 PolarHBondContact O-N 3.42Å; A166-L170 WeakPolarHBondContact O-CB 3.45Å; A166-L170 PolarHBondContact O-N 2.97Å; A166-I240 HydrophobicContact CB-CG2 4.1Å |
| 167 | R | 92.5 | Very high | 91.1 | Very high | 193 Ų | 193 | 65.4 Ų | 65.4 | 73% | 0.728 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -75.6 | -47.6 | -179.2 | -59.3 | -179.5 | 178.6 | -162.8 | 0.3 | 110.6 | D165 M169 L170 I171 | D165-R167 PolarHBondContact O-N 2.98Å; D165-R167 VanDerWaalsContact O-N 3.15Å; D165-R167 WeakPolarHBondContact OD1-CA 3.4Å; D165-R167 VanDerWaalsContact OD1-CB 3.3Å; D165-R167 WeakPolarHBondContact OD1-CB 3.27Å; D165-R167 PolarHBondContact OD1-N 3.38Å; R167-M169 VanDerWaalsContact C-N 3.3Å; R167-L170 PolarHBondContact O-N 3.35Å; R167-I171 VanDerWaalsContact O-CG1 3.28Å; R167-I171 WeakPolarHBondContact O-CG1 3.48Å; R167-I171 PolarHBondContact O-N 2.9Å |
| 168 | I | 93.5 | Very high | 91.2 | Very high | 53 Ų | 53 | 67.6 Ų | 67.6 | 27% | 0.272 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 176 | -61 | 176.6 | 0 | 0 | 0 | 109.2 | L85 A86 D165 L170 I171 L172 | L85-I168 HydrophobicContact CB-CD1 4.3Å; A86-I168 HydrophobicContact CB-CB 3.97Å; A86-I168 HydrophobicContact CB-CG2 3.8Å; D165-I168 HydrophobicContact CB-CB 4.29Å; D165-I168 HydrophobicContact CB-CD1 4.11Å; D165-I168 HydrophobicContact CB-CG1 4.22Å; D165-I168 PolarHBondContact O-N 3.43Å; D165-I168 PolarHBondContact OD1-N 3.1Å; D165-I168 VanDerWaalsContact OD1-N 3.14Å; D165-I168 WeakPolarHBondContact OD2-CD1 3.33Å; I168-L170 PolarHBondContact O-N 3.03Å; I168-I171 PolarHBondContact O-N 3.4Å; I168-L172 HydrophobicContact CG2-CD1 3.66Å; I168-L172 HydrophobicContact CG2-CG 4.35Å; I168-L172 WeakPolarHBondContact O-CG 3.49Å; I168-L172 PolarHBondContact O-N 3.35Å |
| 169 | M | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.1 | -48 | 177.5 | -176 | -175.7 | -177.5 | 0 | 0 | 112.6 | A90 I91 I164 D165 R167 I171 L172 A173 V233 A236 A237 I240 | A90-M169 HydrophobicContact CB-CE 4.24Å; I91-M169 HydrophobicContact CD1-CB 3.96Å; I91-M169 HydrophobicContact CD1-CG 3.8Å; I91-M169 HydrophobicContact CG1-CG 4.25Å; I164-M169 HydrophobicContact CG2-SD 4.07Å; D165-M169 WeakPolarHBondContact O-CB 3.39Å; D165-M169 PolarHBondContact O-N 3.31Å; R167-M169 VanDerWaalsContact C-N 3.3Å; M169-I171 PolarHBondContact O-N 2.86Å; M169-L172 PolarHBondContact O-N 3.39Å; M169-A173 VanDerWaalsContact O-CB 3.27Å; M169-A173 WeakPolarHBondContact O-CB 3.45Å; M169-A173 PolarHBondContact O-N 3.34Å; M169-V233 HydrophobicContact CE-CG1 4.17Å; M169-A236 HydrophobicContact CE-CB 4.03Å; M169-A237 HydrophobicContact CB-CB 4.49Å; M169-A237 HydrophobicContact CE-CB 4.09Å; M169-A237 HydrophobicContact CG-CB 3.77Å; M169-A237 HydrophobicContact SD-CB 4.01Å; M169-I240 HydrophobicContact CE-CD1 3.7Å; M169-I240 HydrophobicContact SD-CD1 3.52Å; M169-I240 VanDerWaalsContact SD-CD1 3.52Å |
| 170 | L | 94 | Very high | 91.1 | Very high | 56 Ų | 56 | 55.1 Ų | 55.1 | 29% | 0.293 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 180 | -174.7 | 153.5 | 0 | 0 | 0 | 112.2 | A166 R167 I168 A174 A237 L238 | A166-L170 WeakPolarHBondContact O-CB 3.45Å; A166-L170 PolarHBondContact O-N 2.97Å; R167-L170 PolarHBondContact O-N 3.35Å; I168-L170 PolarHBondContact O-N 3.03Å; L170-A174 VanDerWaalsContact O-CB 3.32Å; L170-A174 WeakPolarHBondContact O-CB 3.33Å; L170-A174 PolarHBondContact O-N 2.72Å; L170-A237 HydrophobicContact CB-CB 4.16Å; L170-L238 HydrophobicContact CD1-CD2 3.84Å |
| 171 | I | 95.1 | Very high | 91.4 | Very high | 105 Ų | 105 | 55.7 Ų | 55.7 | 54% | 0.538 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -49.4 | 178.3 | -69.1 | 166.6 | 0 | 0 | 0 | 110.4 | R167 I168 M169 A174 V175 | R167-I171 VanDerWaalsContact O-CG1 3.28Å; R167-I171 WeakPolarHBondContact O-CG1 3.48Å; R167-I171 PolarHBondContact O-N 2.9Å; I168-I171 PolarHBondContact O-N 3.4Å; M169-I171 PolarHBondContact O-N 2.86Å; I171-A174 PolarHBondContact O-N 3.49Å; I171-V175 VanDerWaalsContact O-CG2 3.31Å; I171-V175 WeakPolarHBondContact O-CG2 3.46Å; I171-V175 PolarHBondContact O-N 3.49Å |
| 172 | L | 94.8 | Very high | 91.8 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 12% | 0.12 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -43.5 | -178.9 | -70.7 | 166.6 | 0 | 0 | 0 | 111.8 | G82 I91 I168 M169 A174 V175 G176 | G82-L172 VanDerWaalsContact C-CD1 3.43Å; I91-L172 HydrophobicContact CD1-CB 4.18Å; I91-L172 HydrophobicContact CD1-CD1 3.8Å; I91-L172 HydrophobicContact CG2-CD1 4.39Å; I168-L172 HydrophobicContact CG2-CD1 3.66Å; I168-L172 HydrophobicContact CG2-CG 4.35Å; I168-L172 WeakPolarHBondContact O-CG 3.49Å; I168-L172 PolarHBondContact O-N 3.35Å; M169-L172 PolarHBondContact O-N 3.39Å; L172-A174 VanDerWaalsContact C-N 3.34Å; L172-A174 PolarHBondContact O-N 3.33Å; L172-V175 PolarHBondContact O-N 3.41Å; L172-G176 PolarHBondContact O-N 2.78Å |
| 173 | A | 93.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M169 G176 V177 V233 L234 A237 | M169-A173 VanDerWaalsContact O-CB 3.27Å; M169-A173 WeakPolarHBondContact O-CB 3.45Å; M169-A173 PolarHBondContact O-N 3.34Å; A173-G176 PolarHBondContact O-N 2.89Å; A173-V177 WeakPolarHBondContact O-CG2 3.33Å; A173-V177 PolarHBondContact O-N 3.46Å; A173-V233 HydrophobicContact CB-CB 4.41Å; A173-V233 HydrophobicContact CB-CG1 3.89Å; A173-L234 HydrophobicContact CB-CB 3.97Å; A173-L234 HydrophobicContact CB-CD1 4.08Å; A173-A237 HydrophobicContact CB-CB 4.48Å |
| 174 | A | 94.9 | Very high | 92.3 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 28% | 0.281 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L170 I171 L172 G176 I178 L234 | L170-A174 VanDerWaalsContact O-CB 3.32Å; L170-A174 WeakPolarHBondContact O-CB 3.33Å; L170-A174 PolarHBondContact O-N 2.72Å; I171-A174 PolarHBondContact O-N 3.49Å; L172-A174 VanDerWaalsContact C-N 3.34Å; L172-A174 PolarHBondContact O-N 3.33Å; A174-G176 VanDerWaalsContact C-N 3.34Å; A174-I178 WeakPolarHBondContact O-CD1 3.3Å; A174-I178 VanDerWaalsContact O-CG1 3.28Å; A174-I178 WeakPolarHBondContact O-CG1 3.26Å; A174-I178 PolarHBondContact O-N 2.93Å; A174-L234 HydrophobicContact CB-CD1 4.26Å |
| 175 | V | 94.8 | Very high | 92.2 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 174.5 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | F75 I171 L172 I178 V179 | F75-V175 HydrophobicContact CD2-CG1 4.09Å; F75-V175 HydrophobicContact CE2-CB 4.33Å; F75-V175 HydrophobicContact CE2-CG1 3.81Å; I171-V175 VanDerWaalsContact O-CG2 3.31Å; I171-V175 WeakPolarHBondContact O-CG2 3.46Å; I171-V175 PolarHBondContact O-N 3.49Å; L172-V175 PolarHBondContact O-N 3.41Å; V175-I178 WeakPolarHBondContact O-CB 3.42Å; V175-I178 PolarHBondContact O-N 3.44Å; V175-V179 HydrophobicContact CG1-CG2 4.04Å; V175-V179 WeakPolarHBondContact O-CB 3.38Å; V175-V179 VanDerWaalsContact O-CG2 3.3Å; V175-V179 WeakPolarHBondContact O-CG2 3.46Å; V175-V179 PolarHBondContact O-N 3.38Å |
| 176 | G | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L172 A173 A174 I178 V179 N180 | L172-G176 PolarHBondContact O-N 2.78Å; A173-G176 PolarHBondContact O-N 2.89Å; A174-G176 VanDerWaalsContact C-N 3.34Å; G176-I178 VanDerWaalsContact C-N 3.29Å; G176-I178 PolarHBondContact O-N 2.98Å; G176-V179 PolarHBondContact O-N 3.44Å; G176-N180 WeakPolarHBondContact O-CB 3.26Å; G176-N180 PolarHBondContact O-N 2.92Å |
| 177 | V | 94.1 | Very high | 91.6 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.5 | -43.5 | 173.4 | 173 | 0 | 0 | 0 | 0 | 111.1 | A173 F181 F227 S230 V231 L234 | A173-V177 WeakPolarHBondContact O-CG2 3.33Å; A173-V177 PolarHBondContact O-N 3.46Å; V177-F181 WeakPolarHBondContact O-CB 3.27Å; V177-F181 PolarHBondContact O-N 3.39Å; V177-F227 HydrophobicContact CG1-CE2 3.99Å; V177-S230 WeakPolarHBondContact CG2-O 3.45Å; V177-V231 HydrophobicContact CG1-CG2 4.24Å; V177-V231 HydrophobicContact CG2-CG2 4.02Å; V177-L234 HydrophobicContact CG2-CB 4.14Å; V177-L234 HydrophobicContact CG2-CD2 4.03Å |
| 178 | I | 94.3 | Very high | 91 | Very high | 106 Ų | 106 | 41.8 Ų | 41.8 | 54% | 0.544 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65 | -45.8 | 177.8 | -66.5 | 165.3 | 0 | 0 | 0 | 110.7 | A174 V175 G176 F181 V182 | A174-I178 WeakPolarHBondContact O-CD1 3.3Å; A174-I178 VanDerWaalsContact O-CG1 3.28Å; A174-I178 WeakPolarHBondContact O-CG1 3.26Å; A174-I178 PolarHBondContact O-N 2.93Å; V175-I178 WeakPolarHBondContact O-CB 3.42Å; V175-I178 PolarHBondContact O-N 3.44Å; G176-I178 VanDerWaalsContact C-N 3.29Å; G176-I178 PolarHBondContact O-N 2.98Å; I178-F181 PolarHBondContact O-N 3.07Å; I178-V182 HydrophobicContact CG2-CG2 4.43Å; I178-V182 WeakPolarHBondContact O-CB 3.46Å; I178-V182 VanDerWaalsContact O-CG2 3.26Å; I178-V182 WeakPolarHBondContact O-CG2 3.35Å; I178-V182 PolarHBondContact O-N 2.94Å |
| 179 | V | 92.6 | Very high | 90.2 | Very high | 22 Ų | 22 | 45 Ų | 45 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.6 | -51.2 | 180 | 158.5 | 0 | 0 | 0 | 0 | 110.8 | L71 F75 V175 G176 F181 V182 M183 | L71-V179 HydrophobicContact CD2-CB 4.16Å; L71-V179 HydrophobicContact CD2-CG1 3.24Å; L71-V179 HydrophobicContact CD2-CG2 4.29Å; F75-V179 HydrophobicContact CB-CG1 3.82Å; F75-V179 HydrophobicContact CD1-CB 4.45Å; F75-V179 HydrophobicContact CD1-CG1 3.77Å; F75-V179 HydrophobicContact CD2-CB 4.28Å; F75-V179 HydrophobicContact CD2-CG1 4.19Å; F75-V179 HydrophobicContact CD2-CG2 3.95Å; F75-V179 HydrophobicContact CE1-CG1 4.47Å; F75-V179 HydrophobicContact CE2-CG2 4.5Å; F75-V179 HydrophobicContact CG-CB 4.2Å; F75-V179 HydrophobicContact CG-CG1 3.62Å; F75-V179 HydrophobicContact CG-CG2 4.22Å; V175-V179 HydrophobicContact CG1-CG2 4.04Å; V175-V179 WeakPolarHBondContact O-CB 3.38Å; V175-V179 VanDerWaalsContact O-CG2 3.3Å; V175-V179 WeakPolarHBondContact O-CG2 3.46Å; V175-V179 PolarHBondContact O-N 3.38Å; G176-V179 PolarHBondContact O-N 3.44Å; V179-F181 VanDerWaalsContact C-N 3.32Å; V179-F181 PolarHBondContact O-N 2.88Å; V179-V182 PolarHBondContact O-N 2.94Å; V179-M183 HydrophobicContact CG1-CE 3.9Å; V179-M183 WeakPolarHBondContact O-CG 3.39Å; V179-M183 PolarHBondContact O-N 3.29Å |
| 180 | N | 91.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -37.5 | 178.7 | -75 | -15.3 | 0 | 0 | 0 | 112 | G176 M183 G184 D226 F227 S230 | G176-N180 WeakPolarHBondContact O-CB 3.26Å; G176-N180 PolarHBondContact O-N 2.92Å; N180-M183 PolarHBondContact O-N 3.02Å; N180-M183 WeakPolarHBondContact OD1-CE 3.45Å; N180-G184 PolarHBondContact O-N 3.46Å; N180-D226 PolarHBondContact ND2-O 2.92Å; N180-F227 HydrophobicContact CB-CB 4.15Å; N180-F227 HydrophobicContact CB-CD2 4.2Å; N180-S230 PolarHBondContact ND2-OG 3.29Å |
| 181 | F | 91.5 | Very high | 87.4 | Confident | 126 Ų | 126 | 49 Ų | 49 | 55% | 0.553 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64 | -43.4 | 173 | -177.8 | -98 | 0 | 0 | 0 | 112.7 | V177 I178 V179 G184 T185 F227 | V177-F181 WeakPolarHBondContact O-CB 3.27Å; V177-F181 PolarHBondContact O-N 3.39Å; I178-F181 PolarHBondContact O-N 3.07Å; V179-F181 VanDerWaalsContact C-N 3.32Å; V179-F181 PolarHBondContact O-N 2.88Å; F181-G184 PolarHBondContact O-N 3.05Å; F181-T185 WeakPolarHBondContact O-CB 3.19Å; F181-T185 PolarHBondContact O-N 3.3Å; F181-T185 PolarHBondContact O-OG1 3.02Å; F181-F227 HydrophobicContact CB-CD2 4.41Å; F181-F227 HydrophobicContact CB-CE2 4.12Å; F181-F227 HydrophobicContact CD2-CE2 4.37Å |
| 182 | V | 90.8 | Very high | 85.5 | Confident | 61 Ų | 61 | 46.1 Ų | 46.1 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 175.8 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | L71 I178 V179 G184 T185 V186 | L71-V182 HydrophobicContact CD1-CG1 4.49Å; I178-V182 HydrophobicContact CG2-CG2 4.43Å; I178-V182 WeakPolarHBondContact O-CB 3.46Å; I178-V182 VanDerWaalsContact O-CG2 3.26Å; I178-V182 WeakPolarHBondContact O-CG2 3.35Å; I178-V182 PolarHBondContact O-N 2.94Å; V179-V182 PolarHBondContact O-N 2.94Å; V182-G184 PolarHBondContact O-N 3.16Å; V182-T185 PolarHBondContact O-N 2.92Å; V182-V186 HydrophobicContact CG1-CG2 4.24Å; V182-V186 WeakPolarHBondContact O-CB 3.5Å; V182-V186 VanDerWaalsContact O-CG2 3.27Å; V182-V186 WeakPolarHBondContact O-CG2 3.43Å; V182-V186 PolarHBondContact O-N 3.28Å |
| 183 | M | 87.7 | Confident | 83 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.6 | -48.7 | 175.5 | -70.8 | -165.3 | -67.2 | 0 | 0 | 111.3 | L71 C72 V179 N180 T185 V186 L187 V223 | L71-M183 HydrophobicContact CD2-CE 4.5Å; L71-M183 HydrophobicContact CD2-CG 3.63Å; L71-M183 HydrophobicContact CD2-SD 3.78Å; C72-M183 HydrophobicContact CB-SD 4.02Å; V179-M183 HydrophobicContact CG1-CE 3.9Å; V179-M183 WeakPolarHBondContact O-CG 3.39Å; V179-M183 PolarHBondContact O-N 3.29Å; N180-M183 PolarHBondContact O-N 3.02Å; N180-M183 WeakPolarHBondContact OD1-CE 3.45Å; M183-T185 VanDerWaalsContact C-N 3.29Å; M183-T185 PolarHBondContact O-N 3.41Å; M183-V186 PolarHBondContact O-N 3.31Å; M183-L187 WeakPolarHBondContact O-CD1 3.45Å; M183-L187 PolarHBondContact O-N 2.7Å; M183-V223 HydrophobicContact CB-CG1 4.14Å |
| 184 | G | 87.5 | Confident | 80.3 | Confident | 14 Ų | 14 | 54 Ų | 54 | 14% | 0.144 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.1 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N180 F181 V182 L187 Q188 | N180-G184 PolarHBondContact O-N 3.46Å; F181-G184 PolarHBondContact O-N 3.05Å; V182-G184 PolarHBondContact O-N 3.16Å; G184-L187 PolarHBondContact O-N 3.39Å; G184-Q188 WeakPolarHBondContact O-CB 3.35Å; G184-Q188 PolarHBondContact O-N 2.67Å |
| 185 | T | 86.7 | Confident | 77.2 | Confident | 55 Ų | 55 | 60.6 Ų | 60.6 | 34% | 0.337 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.5 | -43 | 178 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | F181 V182 M183 Q188 L189 | F181-T185 WeakPolarHBondContact O-CB 3.19Å; F181-T185 PolarHBondContact O-N 3.3Å; F181-T185 PolarHBondContact O-OG1 3.02Å; V182-T185 PolarHBondContact O-N 2.92Å; M183-T185 VanDerWaalsContact C-N 3.29Å; M183-T185 PolarHBondContact O-N 3.41Å; T185-Q188 PolarHBondContact O-N 3.29Å; T185-L189 HydrophobicContact CG2-CD1 3.84Å; T185-L189 HydrophobicContact CG2-CG 4.24Å; T185-L189 WeakPolarHBondContact O-CB 3.28Å; T185-L189 VanDerWaalsContact O-CG 3.23Å; T185-L189 WeakPolarHBondContact O-CG 3.19Å; T185-L189 PolarHBondContact O-N 3.45Å |
| 186 | V | 84.9 | Confident | 74.2 | Confident | 25 Ų | 25 | 62.6 Ų | 62.6 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61 | -46 | 175.5 | 168.8 | 0 | 0 | 0 | 0 | 110.3 | A64 V182 M183 Q188 L189 F190 | A64-V186 HydrophobicContact CB-CG1 4.03Å; V182-V186 HydrophobicContact CG1-CG2 4.24Å; V182-V186 WeakPolarHBondContact O-CB 3.5Å; V182-V186 VanDerWaalsContact O-CG2 3.27Å; V182-V186 WeakPolarHBondContact O-CG2 3.43Å; V182-V186 PolarHBondContact O-N 3.28Å; M183-V186 PolarHBondContact O-N 3.31Å; V186-Q188 VanDerWaalsContact C-N 3.32Å; V186-Q188 PolarHBondContact O-N 2.99Å; V186-L189 PolarHBondContact O-N 3.47Å; V186-F190 HydrophobicContact CG1-CD2 3.9Å; V186-F190 HydrophobicContact CG1-CE2 4.35Å; V186-F190 WeakPolarHBondContact O-CB 3.37Å; V186-F190 VanDerWaalsContact O-CD2 3.27Å; V186-F190 WeakPolarHBondContact O-CD2 3.38Å; V186-F190 PolarHBondContact O-N 2.87Å |
| 187 | L | 81.1 | Confident | 71.2 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 6% | 0.063 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 176.6 | -92 | 75 | 0 | 0 | 0 | 111.9 | S68 M183 G184 G191 A219 V223 | S68-L187 WeakPolarHBondContact OG-CD1 3.47Å; M183-L187 WeakPolarHBondContact O-CD1 3.45Å; M183-L187 PolarHBondContact O-N 2.7Å; G184-L187 PolarHBondContact O-N 3.39Å; L187-G191 WeakPolarHBondContact O-CA 3.38Å; L187-G191 PolarHBondContact O-N 2.95Å; L187-A219 HydrophobicContact CD2-CB 3.75Å; L187-V223 HydrophobicContact CD2-CG2 4.11Å |
| 188 | Q | 79.7 | Confident | 68.3 | Low | 80 Ų | 80 | 73.4 Ų | 73.4 | 37% | 0.374 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 178.8 | -175.1 | 67.7 | -6.7 | 0 | 0 | 112.2 | G184 T185 V186 H193 | G184-Q188 WeakPolarHBondContact O-CB 3.35Å; G184-Q188 PolarHBondContact O-N 2.67Å; T185-Q188 PolarHBondContact O-N 3.29Å; V186-Q188 VanDerWaalsContact C-N 3.32Å; V186-Q188 PolarHBondContact O-N 2.99Å; Q188-H193 PolarHBondContact NE2-ND1 2.98Å |
| 189 | L | 77.7 | Confident | 65.2 | Low | 122 Ų | 122 | 78 Ų | 78 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.3 | -39.8 | -178.6 | -70.6 | 174.3 | 0 | 0 | 0 | 112.5 | T185 V186 | T185-L189 HydrophobicContact CG2-CD1 3.84Å; T185-L189 HydrophobicContact CG2-CG 4.24Å; T185-L189 WeakPolarHBondContact O-CB 3.28Å; T185-L189 VanDerWaalsContact O-CG 3.23Å; T185-L189 WeakPolarHBondContact O-CG 3.19Å; T185-L189 PolarHBondContact O-N 3.45Å; V186-L189 PolarHBondContact O-N 3.47Å |
| 190 | F | 69.3 | Low | 62.5 | Low | 117 Ų | 117 | 81.1 Ų | 81.1 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -101.3 | -18 | -175.2 | -68.3 | -79.9 | 0 | 0 | 0 | 114.3 | A64 V186 | A64-F190 HydrophobicContact CB-CB 3.28Å; A64-F190 HydrophobicContact CB-CD1 4.48Å; A64-F190 HydrophobicContact CB-CD2 3.91Å; A64-F190 HydrophobicContact CB-CG 3.66Å; V186-F190 HydrophobicContact CG1-CD2 3.9Å; V186-F190 HydrophobicContact CG1-CE2 4.35Å; V186-F190 WeakPolarHBondContact O-CB 3.37Å; V186-F190 VanDerWaalsContact O-CD2 3.27Å; V186-F190 WeakPolarHBondContact O-CD2 3.38Å; V186-F190 PolarHBondContact O-N 2.87Å |
| 191 | G | 59.8 | Low | 59.8 | Low | 23 Ų | 23 | 87.2 Ų | 87.2 | 24% | 0.237 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -93.3 | -27 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L187 | L187-G191 WeakPolarHBondContact O-CA 3.38Å; L187-G191 PolarHBondContact O-N 2.95Å |
| 192 | G | 54 | Low | 57.2 | Low | 43 Ų | 43 | 87.4 Ų | 87.4 | 44% | 0.443 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -166 | -4.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||
| 193 | H | 43.1 | Very low | 54.5 | Low | 116 Ų | 116 | 95.4 Ų | 95.4 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | trans | -124.8 | 64.4 | 178 | -70.5 | 81.5 | 0 | 0 | 0 | 111.7 | Q188 H195 | Q188-H193 PolarHBondContact NE2-ND1 2.98Å; H193-H195 VanDerWaalsContact C-N 3.3Å; H193-H195 PolarHBondContact O-N 3.46Å | ||
| 194 | G | 36.7 | Very low | 52.2 | Low | 75 Ų | 75 | 99.4 Ų | 99.4 | 77% | 0.773 | 57% | 0.565 | S | S | * | * | trans | -65.6 | 96.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | S196 | G194-S196 PolarHBondContact O-N 2.79Š| ||
| 195 | H | 29.6 | Very low | 49.8 | Very low | 173 Ų | 173 | 107.6 Ų | 107.6 | 80% | 0.801 | 59% | 0.592 | S | S | * | * | trans | -62.4 | 80.6 | 158.9 | -72.5 | -77.5 | 0 | 0 | 0 | 108.2 | H193 | H193-H195 VanDerWaalsContact C-N 3.3Å; H193-H195 PolarHBondContact O-N 3.46Å | ||
| 196 | S | 31.4 | Very low | 47.9 | Very low | 107 Ų | 107 | 109.3 Ų | 109.3 | 75% | 0.748 | 61% | 0.606 | S | S | * | * | trans | -108.8 | 107.1 | 160.7 | 78.1 | 0 | 0 | 0 | 0 | 108.7 | G194 G198 | G194-S196 PolarHBondContact O-N 2.79Å; S196-G198 PolarHBondContact O-N 2.89Å; S196-G198 VanDerWaalsContact O-N 3.08Å | ||
| 197 | H | 31.4 | Very low | 46.1 | Very low | 192 Ų | 192 | 111.7 Ų | 111.7 | 89% | 0.889 | 62% | 0.624 | S | S | * | * | trans | -61.5 | 103.9 | 161.7 | -71.6 | -86.3 | 0 | 0 | 0 | 107.8 | ||||
| 198 | G | 31.8 | Very low | 44.2 | Very low | 61 Ų | 61 | 113.9 Ų | 113.9 | 63% | 0.629 | 64% | 0.64 | S | S | * | * | trans | -160 | 94 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S196 S200 | S196-G198 PolarHBondContact O-N 2.89Å; S196-G198 VanDerWaalsContact O-N 3.08Å; G198-S200 PolarHBondContact O-N 2.83Å; G198-S200 VanDerWaalsContact O-N 3.07Å | ||
| 199 | Q | 30.4 | Very low | 42.5 | Very low | 203 Ų | 203 | 113 Ų | 113 | 95% | 0.949 | 64% | 0.636 | S | S | * | * | trans | -57.2 | 108.6 | 161.8 | -78.1 | -173.5 | -0.8 | 0 | 0 | 108.3 | ||||
| 200 | S | 36.7 | Very low | 41 | Very low | 88 Ų | 88 | 110.4 Ų | 110.4 | 62% | 0.615 | 63% | 0.626 | S | S | * | * | trans | -136.7 | 116.7 | 152.5 | 76.4 | 0 | 0 | 0 | 0 | 109 | G198 N202 | G198-S200 PolarHBondContact O-N 2.83Å; G198-S200 VanDerWaalsContact O-N 3.07Å; S200-N202 PolarHBondContact O-N 3.23Å; S200-N202 VanDerWaalsContact O-N 3.13Å | ||
| 201 | V | 34.8 | Very low | 39.9 | Very low | 129 Ų | 129 | 111.1 Ų | 111.1 | 78% | 0.782 | 63% | 0.625 | S | S | * | * | trans | -78.9 | 90 | 179.1 | -143.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 202 | N | 35.4 | Very low | 39.4 | Very low | 129 Ų | 129 | 114.8 Ų | 114.8 | 69% | 0.69 | 63% | 0.631 | S | S | * | * | trans | -128.7 | 108.1 | 171.5 | -85.5 | -37.2 | 0 | 0 | 0 | 109.1 | S200 S204 | S200-N202 PolarHBondContact O-N 3.23Å; S200-N202 VanDerWaalsContact O-N 3.13Å; N202-S204 PolarHBondContact O-N 3.43Å | ||
| 203 | Y | 34.8 | Very low | 39.3 | Very low | 230 Ų | 230 | 116.7 Ų | 116.7 | 90% | 0.902 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -69.4 | 68.1 | 170.4 | -82 | -92.4 | 0 | 0 | 0 | 110.2 | ||
| 204 | S | 39.2 | Very low | 39.9 | Very low | 93 Ų | 93 | 115.1 Ų | 115.1 | 65% | 0.65 | 63% | 0.626 | S | S | * | * | trans | -152.7 | 60.5 | 166.9 | -83.7 | 0 | 0 | 0 | 0 | 108.8 | N202 | N202-S204 PolarHBondContact O-N 3.43Š| ||
| 205 | R | 37.7 | Very low | 40.9 | Very low | 186 Ų | 186 | 116.6 Ų | 116.6 | 70% | 0.702 | 62% | 0.616 | S | S | * | * | trans | -130.9 | 77.6 | -175.6 | -158.5 | 177.8 | -147.2 | 157.6 | 6.2 | 107.9 | ||||
| 206 | S | 45.6 | Very low | 42.5 | Very low | 92 Ų | 92 | 109.9 Ų | 109.9 | 64% | 0.643 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -161.3 | 141.1 | 169.7 | -153.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 207 | S | 47.2 | Very low | 44 | Very low | 74 Ų | 74 | 113.2 Ų | 113.2 | 52% | 0.517 | 58% | 0.584 | S | S | . | * | S | Bend | trans | 87.6 | -72.2 | -171.6 | 80.3 | 0 | 0 | 0 | 0 | 117.5 | Q209 T210 R211 | S207-Q209 PolarHBondContact O-N 3.46Å; S207-T210 PolarHBondContact O-N 2.73Å; S207-R211 PolarHBondContact O-N 2.85Å |
| 208 | S | 41.8 | Very low | 45.6 | Very low | 59 Ų | 59 | 106.8 Ų | 106.8 | 41% | 0.413 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.3 | -41.8 | -171 | 68.1 | 0 | 0 | 0 | 0 | 113.9 | R212 | S208-R212 PolarHBondContact O-N 3.44Å; S208-R212 VanDerWaalsContact O-N 3.15Å |
| 209 | Q | 43.1 | Very low | 47.5 | Very low | 61 Ų | 61 | 105.2 Ų | 105.2 | 29% | 0.285 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68 | -37.3 | 174.9 | -167.7 | 176.1 | -8.3 | 0 | 0 | 111.4 | S207 N213 | S207-Q209 PolarHBondContact O-N 3.46Å; Q209-N213 WeakPolarHBondContact O-CB 3.38Å; Q209-N213 PolarHBondContact O-N 3.4Å; Q209-N213 PolarHBondContact O-ND2 2.77Å; Q209-N213 PolarHBondContact O-OD1 3.26Å |
| 210 | T | 47.4 | Very low | 49.6 | Very low | 68 Ų | 68 | 99.2 Ų | 99.2 | 42% | 0.417 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 177.8 | -45.6 | 0 | 0 | 0 | 0 | 111.7 | S207 R212 N213 I214 | S207-T210 PolarHBondContact O-N 2.73Å; T210-R212 PolarHBondContact O-N 2.94Å; T210-N213 WeakPolarHBondContact O-CB 3.47Å; T210-N213 PolarHBondContact O-N 2.95Å; T210-I214 HydrophobicContact CG2-CD1 4.13Å; T210-I214 VanDerWaalsContact O-CG1 3.31Å; T210-I214 WeakPolarHBondContact O-CG1 3.48Å; T210-I214 PolarHBondContact O-N 2.94Å |
| 211 | R | 46.4 | Very low | 51.5 | Low | 131 Ų | 131 | 99.7 Ų | 99.7 | 49% | 0.494 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 176.6 | -78.3 | -169.2 | 175.2 | 149.9 | 5.3 | 112.8 | S207 N213 I214 N215 D311 | S207-R211 PolarHBondContact O-N 2.85Å; R211-N213 VanDerWaalsContact C-N 3.34Å; R211-N213 PolarHBondContact O-N 3.36Å; R211-I214 PolarHBondContact O-N 3.49Å; R211-N215 PolarHBondContact O-N 2.93Å; R211-D311 IonicContact NE-OD2 3.93Å; R211-D311 PolarHBondContact NE-OD2 2.78Å; R211-D311 IonicContact NH2-OD2 3.05Å |
| 212 | R | 48.4 | Very low | 53.6 | Low | 101 Ų | 101 | 97 Ų | 97 | 38% | 0.381 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 172.2 | -88.9 | -171.6 | -75.6 | 99.4 | -5.8 | 111.7 | S208 T210 I214 N215 V216 | S208-R212 PolarHBondContact O-N 3.44Å; S208-R212 VanDerWaalsContact O-N 3.15Å; T210-R212 PolarHBondContact O-N 2.94Å; R212-I214 VanDerWaalsContact C-N 3.26Å; R212-I214 PolarHBondContact O-N 3.34Å; R212-N215 PolarHBondContact O-N 3.37Å; R212-V216 WeakPolarHBondContact O-CB 3.36Å; R212-V216 WeakPolarHBondContact O-CG2 3.34Å; R212-V216 PolarHBondContact O-N 3.49Å |
| 213 | N | 51.5 | Low | 55.9 | Low | 82 Ų | 82 | 91.6 Ų | 91.6 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.1 | -37.5 | 177.7 | -67.4 | -12.2 | 0 | 0 | 0 | 111.4 | Q209 T210 R211 R217 | Q209-N213 WeakPolarHBondContact O-CB 3.38Å; Q209-N213 PolarHBondContact O-N 3.4Å; Q209-N213 PolarHBondContact O-ND2 2.77Å; Q209-N213 PolarHBondContact O-OD1 3.26Å; T210-N213 WeakPolarHBondContact O-CB 3.47Å; T210-N213 PolarHBondContact O-N 2.95Å; R211-N213 VanDerWaalsContact C-N 3.34Å; R211-N213 PolarHBondContact O-N 3.36Å; N213-R217 WeakPolarHBondContact O-CB 3.12Å; N213-R217 PolarHBondContact O-N 2.99Å |
| 214 | I | 56.5 | Low | 58.2 | Low | 83 Ų | 83 | 84.5 Ų | 84.5 | 43% | 0.426 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.5 | -49.1 | 178 | -67.9 | 163.7 | 0 | 0 | 0 | 111.1 | T210 R211 R212 V216 R217 A218 | T210-I214 HydrophobicContact CG2-CD1 4.13Å; T210-I214 VanDerWaalsContact O-CG1 3.31Å; T210-I214 WeakPolarHBondContact O-CG1 3.48Å; T210-I214 PolarHBondContact O-N 2.94Å; R211-I214 PolarHBondContact O-N 3.49Å; R212-I214 VanDerWaalsContact C-N 3.26Å; R212-I214 PolarHBondContact O-N 3.34Å; I214-V216 PolarHBondContact O-N 3.22Å; I214-R217 PolarHBondContact O-N 3.01Å; I214-A218 WeakPolarHBondContact O-CB 3.37Å; I214-A218 PolarHBondContact O-N 3.4Å |
| 215 | N | 58.3 | Low | 60.3 | Low | 107 Ų | 107 | 81.3 Ų | 81.3 | 57% | 0.572 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | -178.7 | -70.7 | -1.4 | 0 | 0 | 0 | 111.9 | R211 R212 A218 A219 | R211-N215 PolarHBondContact O-N 2.93Å; R212-N215 PolarHBondContact O-N 3.37Å; N215-A218 PolarHBondContact O-N 2.95Å; N215-A219 WeakPolarHBondContact O-CB 3.36Å; N215-A219 PolarHBondContact O-N 3.28Å |
| 216 | V | 61.9 | Low | 62.6 | Low | 32 Ų | 32 | 72.8 Ų | 72.8 | 19% | 0.194 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 176.2 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | R212 I214 A219 F220 | R212-V216 WeakPolarHBondContact O-CB 3.36Å; R212-V216 WeakPolarHBondContact O-CG2 3.34Å; R212-V216 PolarHBondContact O-N 3.49Å; I214-V216 PolarHBondContact O-N 3.22Å; V216-A219 PolarHBondContact O-N 3.21Å; V216-F220 WeakPolarHBondContact O-CB 3.49Å; V216-F220 PolarHBondContact O-N 2.92Å |
| 217 | R | 63.9 | Low | 64.7 | Low | 177 Ų | 177 | 71.3 Ų | 71.3 | 67% | 0.668 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.7 | -40.6 | 175.6 | 179.3 | 179 | 178.2 | -175 | -0.6 | 111.9 | N213 I214 F220 I221 | N213-R217 WeakPolarHBondContact O-CB 3.12Å; N213-R217 PolarHBondContact O-N 2.99Å; I214-R217 PolarHBondContact O-N 3.01Å; R217-F220 PolarHBondContact O-N 3.41Å; R217-I221 HydrophobicContact CG-CD1 3.89Å; R217-I221 HydrophobicContact CG-CG1 4.44Å; R217-I221 VanDerWaalsContact O-CG1 3.27Å; R217-I221 WeakPolarHBondContact O-CG1 3.28Å; R217-I221 PolarHBondContact O-N 3.41Å |
| 218 | A | 64.9 | Low | 66.7 | Low | 56 Ų | 56 | 72.4 Ų | 72.4 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I214 N215 F220 I221 H222 | I214-A218 WeakPolarHBondContact O-CB 3.37Å; I214-A218 PolarHBondContact O-N 3.4Å; N215-A218 PolarHBondContact O-N 2.95Å; A218-F220 VanDerWaalsContact C-N 3.32Å; A218-F220 PolarHBondContact O-N 3.27Å; A218-I221 PolarHBondContact O-N 2.95Å; A218-H222 WeakPolarHBondContact O-CB 3.36Å; A218-H222 PolarHBondContact O-N 3.13Å |
| 219 | A | 71.1 | Confident | 68.9 | Low | 29 Ų | 29 | 70.4 Ų | 70.4 | 24% | 0.24 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.7 | -39 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L187 N215 V216 H222 V223 | L187-A219 HydrophobicContact CD2-CB 3.75Å; N215-A219 WeakPolarHBondContact O-CB 3.36Å; N215-A219 PolarHBondContact O-N 3.28Å; V216-A219 PolarHBondContact O-N 3.21Å; A219-H222 WeakPolarHBondContact O-CB 3.25Å; A219-H222 PolarHBondContact O-N 3.18Å; A219-V223 WeakPolarHBondContact O-CG2 3.4Å; A219-V223 PolarHBondContact O-N 3.05Å |
| 220 | F | 75.2 | Confident | 71.2 | Confident | 76 Ų | 76 | 67.5 Ų | 67.5 | 33% | 0.333 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.6 | -44.6 | 176.7 | 178.2 | -97.3 | 0 | 0 | 0 | 112.9 | V216 R217 A218 H222 V223 L224 | V216-F220 WeakPolarHBondContact O-CB 3.49Å; V216-F220 PolarHBondContact O-N 2.92Å; R217-F220 PolarHBondContact O-N 3.41Å; A218-F220 VanDerWaalsContact C-N 3.32Å; A218-F220 PolarHBondContact O-N 3.27Å; F220-H222 PolarHBondContact O-N 2.65Å; F220-V223 PolarHBondContact O-N 3.34Å; F220-L224 HydrophobicContact CE1-CD2 4.48Å; F220-L224 VanDerWaalsContact O-CB 3.3Å; F220-L224 WeakPolarHBondContact O-CB 3.41Å; F220-L224 PolarHBondContact O-N 3.45Å |
| 221 | I | 76.6 | Confident | 73.3 | Confident | 98 Ų | 98 | 66.8 Ų | 66.8 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.1 | -37 | 175.8 | -70.8 | 167 | 0 | 0 | 0 | 110.2 | R217 A218 G225 | R217-I221 HydrophobicContact CG-CD1 3.89Å; R217-I221 HydrophobicContact CG-CG1 4.44Å; R217-I221 VanDerWaalsContact O-CG1 3.27Å; R217-I221 WeakPolarHBondContact O-CG1 3.28Å; R217-I221 PolarHBondContact O-N 3.41Å; A218-I221 PolarHBondContact O-N 2.95Å; I221-G225 PolarHBondContact O-N 3.12Å; I221-G225 VanDerWaalsContact O-N 3.16Å |
| 222 | H | 79.3 | Confident | 75.5 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 34% | 0.343 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.7 | -54.7 | 177 | -175.9 | 54.1 | 0 | 0 | 0 | 112.4 | D101 A218 A219 F220 L224 G225 D226 | D101-H222 WeakPolarHBondContact CB-NE2 3.44Å; D101-H222 VanDerWaalsContact CG-NE2 3.3Å; D101-H222 IonicContact OD1-CE1 3.82Å; D101-H222 PolarHBondContact OD1-CE1 3.38Å; D101-H222 VanDerWaalsContact OD1-CE1 3.31Å; D101-H222 IonicContact OD1-NE2 3.1Å; D101-H222 IonicContact OD2-CE1 3.31Å; D101-H222 PolarHBondContact OD2-CE1 3.32Å; D101-H222 IonicContact OD2-NE2 3.71Å; D101-H222 PolarHBondContact OD2-NE2 3.36Å; A218-H222 WeakPolarHBondContact O-CB 3.36Å; A218-H222 PolarHBondContact O-N 3.13Å; A219-H222 WeakPolarHBondContact O-CB 3.25Å; A219-H222 PolarHBondContact O-N 3.18Å; F220-H222 PolarHBondContact O-N 2.65Å; H222-L224 PolarHBondContact O-N 2.85Å; H222-L224 VanDerWaalsContact O-N 3.15Å; H222-G225 VanDerWaalsContact O-CA 3.3Å; H222-G225 WeakPolarHBondContact O-CA 3.32Å; H222-G225 PolarHBondContact O-N 2.9Å; H222-D226 IonicContact CE1-OD1 2.68Å; H222-D226 IonicContact NE2-OD2 2.68Å; H222-D226 PolarHBondContact O-N 3.07Å; H222-D226 VanDerWaalsContact O-N 3.1Å |
| 223 | V | 82.3 | Confident | 77.5 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.6 | -31.7 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 112.1 | M183 L187 A219 F220 G225 D226 F227 | M183-V223 HydrophobicContact CB-CG1 4.14Å; L187-V223 HydrophobicContact CD2-CG2 4.11Å; A219-V223 WeakPolarHBondContact O-CG2 3.4Å; A219-V223 PolarHBondContact O-N 3.05Å; F220-V223 PolarHBondContact O-N 3.34Å; V223-G225 VanDerWaalsContact C-N 3.34Å; V223-D226 PolarHBondContact O-N 3.45Å; V223-F227 WeakPolarHBondContact O-CB 3.47Å; V223-F227 PolarHBondContact O-N 3.26Å |
| 224 | L | 83.9 | Confident | 79.6 | Confident | 80 Ų | 80 | 55 Ų | 55 | 42% | 0.419 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.3 | -36.3 | 172.9 | -177.3 | 63.4 | 0 | 0 | 0 | 112.2 | F220 H222 I228 | F220-L224 HydrophobicContact CE1-CD2 4.48Å; F220-L224 VanDerWaalsContact O-CB 3.3Å; F220-L224 WeakPolarHBondContact O-CB 3.41Å; F220-L224 PolarHBondContact O-N 3.45Å; H222-L224 PolarHBondContact O-N 2.85Å; H222-L224 VanDerWaalsContact O-N 3.15Å; L224-I228 HydrophobicContact CG-CD1 4.4Å; L224-I228 WeakPolarHBondContact O-CD1 3.47Å; L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.33Å; L224-I228 PolarHBondContact O-N 3.37Å; L224-I228 VanDerWaalsContact O-N 3.1Å |
| 225 | G | 83.5 | Confident | 81.3 | Confident | 26 Ų | 26 | 54.7 Ų | 54.7 | 27% | 0.268 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -51.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I221 H222 V223 F227 I228 Q229 | I221-G225 PolarHBondContact O-N 3.12Å; I221-G225 VanDerWaalsContact O-N 3.16Å; H222-G225 VanDerWaalsContact O-CA 3.3Å; H222-G225 WeakPolarHBondContact O-CA 3.32Å; H222-G225 PolarHBondContact O-N 2.9Å; V223-G225 VanDerWaalsContact C-N 3.34Å; G225-F227 VanDerWaalsContact C-N 3.28Å; G225-F227 PolarHBondContact O-N 3.27Å; G225-I228 WeakPolarHBondContact O-CB 2.98Å; G225-I228 PolarHBondContact O-N 3.28Å; G225-Q229 PolarHBondContact O-N 2.83Å |
| 226 | D | 86.8 | Confident | 82.8 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.043 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 178.8 | -54.6 | -13.2 | 0 | 0 | 0 | 111.1 | N180 H222 V223 I228 Q229 S230 | N180-D226 PolarHBondContact ND2-O 2.92Å; H222-D226 IonicContact CE1-OD1 2.68Å; H222-D226 IonicContact NE2-OD2 2.68Å; H222-D226 PolarHBondContact O-N 3.07Å; H222-D226 VanDerWaalsContact O-N 3.1Å; V223-D226 PolarHBondContact O-N 3.45Å; D226-I228 VanDerWaalsContact C-N 3.34Å; D226-I228 PolarHBondContact O-N 2.97Å; D226-Q229 PolarHBondContact O-N 2.91Å; D226-S230 PolarHBondContact O-N 3.32Å; D226-S230 PolarHBondContact O-OG 3.02Å |
| 227 | F | 89 | Confident | 84.2 | Confident | 61 Ų | 61 | 48.2 Ų | 48.2 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 174.2 | 177.8 | -103.2 | 0 | 0 | 0 | 112.1 | V177 N180 F181 V223 G225 Q229 S230 V231 | V177-F227 HydrophobicContact CG1-CE2 3.99Å; N180-F227 HydrophobicContact CB-CB 4.15Å; N180-F227 HydrophobicContact CB-CD2 4.2Å; F181-F227 HydrophobicContact CB-CD2 4.41Å; F181-F227 HydrophobicContact CB-CE2 4.12Å; F181-F227 HydrophobicContact CD2-CE2 4.37Å; V223-F227 WeakPolarHBondContact O-CB 3.47Å; V223-F227 PolarHBondContact O-N 3.26Å; G225-F227 VanDerWaalsContact C-N 3.28Å; G225-F227 PolarHBondContact O-N 3.27Å; F227-Q229 VanDerWaalsContact C-N 3.33Å; F227-S230 PolarHBondContact O-N 2.97Å; F227-V231 HydrophobicContact CD1-CG2 4.5Å; F227-V231 HydrophobicContact CE1-CG2 4.07Å; F227-V231 HydrophobicContact CE2-CG2 4.1Å; F227-V231 HydrophobicContact CZ-CG2 3.85Å; F227-V231 VanDerWaalsContact O-CG2 3.3Å; F227-V231 WeakPolarHBondContact O-CG2 3.33Å; F227-V231 PolarHBondContact O-N 2.77Å |
| 228 | I | 88.7 | Confident | 85.4 | Confident | 96 Ų | 96 | 44 Ų | 44 | 49% | 0.492 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 176.4 | -68.9 | 163.7 | 0 | 0 | 0 | 110.6 | L224 G225 D226 G232 | L224-I228 HydrophobicContact CG-CD1 4.4Å; L224-I228 WeakPolarHBondContact O-CD1 3.47Å; L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.33Å; L224-I228 PolarHBondContact O-N 3.37Å; L224-I228 VanDerWaalsContact O-N 3.1Å; G225-I228 WeakPolarHBondContact O-CB 2.98Å; G225-I228 PolarHBondContact O-N 3.28Å; D226-I228 VanDerWaalsContact C-N 3.34Å; D226-I228 PolarHBondContact O-N 2.97Å; I228-G232 PolarHBondContact O-N 3.47Å |
| 229 | Q | 88.5 | Confident | 86.6 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -51 | 176.7 | -72.8 | 177.2 | -100.2 | 0 | 0 | 111.4 | G225 D226 F227 V231 G232 V233 F255 | G225-Q229 PolarHBondContact O-N 2.83Å; D226-Q229 PolarHBondContact O-N 2.91Å; F227-Q229 VanDerWaalsContact C-N 3.33Å; Q229-V231 VanDerWaalsContact C-N 3.32Å; Q229-V231 PolarHBondContact O-N 2.74Å; Q229-G232 CarbonylContact O-C 3.56Å; Q229-G232 WeakPolarHBondContact O-CA 3.45Å; Q229-G232 PolarHBondContact O-N 3.34Å; Q229-V233 WeakPolarHBondContact O-CG2 3.29Å; Q229-V233 PolarHBondContact O-N 3.5Å; Q229-F255 HydrophobicContact CB-CE1 4.44Å; Q229-F255 HydrophobicContact CG-CD1 4.03Å; Q229-F255 HydrophobicContact CG-CE1 4.38Å; Q229-F255 HydrophobicContact CG-CG 4.41Å; Q229-F255 VanDerWaalsContact O-CZ 3.25Å; Q229-F255 WeakPolarHBondContact O-CZ 2.96Å |
| 230 | S | 91.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.7 | -33.2 | -179.7 | -53.6 | 0 | 0 | 0 | 0 | 113.2 | D94 V177 N180 D226 F227 G232 V233 L234 | D94-S230 PolarHBondContact OD2-OG 3.4Å; V177-S230 WeakPolarHBondContact CG2-O 3.45Å; N180-S230 PolarHBondContact ND2-OG 3.29Å; D226-S230 PolarHBondContact O-N 3.32Å; D226-S230 PolarHBondContact O-OG 3.02Å; F227-S230 PolarHBondContact O-N 2.97Å; S230-G232 VanDerWaalsContact C-N 3.33Å; S230-V233 PolarHBondContact O-N 2.9Å; S230-L234 WeakPolarHBondContact O-CB 3.33Å; S230-L234 PolarHBondContact O-N 3.22Å |
| 231 | V | 92.5 | Very high | 87.5 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.1 | -42 | 170.3 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | V177 F227 Q229 L234 V235 | V177-V231 HydrophobicContact CG1-CG2 4.24Å; V177-V231 HydrophobicContact CG2-CG2 4.02Å; F227-V231 HydrophobicContact CD1-CG2 4.5Å; F227-V231 HydrophobicContact CE1-CG2 4.07Å; F227-V231 HydrophobicContact CE2-CG2 4.1Å; F227-V231 HydrophobicContact CZ-CG2 3.85Å; F227-V231 VanDerWaalsContact O-CG2 3.3Å; F227-V231 WeakPolarHBondContact O-CG2 3.33Å; F227-V231 PolarHBondContact O-N 2.77Å; Q229-V231 VanDerWaalsContact C-N 3.32Å; Q229-V231 PolarHBondContact O-N 2.74Å; V231-L234 WeakPolarHBondContact O-CB 3.48Å; V231-L234 PolarHBondContact O-N 3.03Å; V231-V235 WeakPolarHBondContact O-CG2 3.39Å; V231-V235 PolarHBondContact O-N 2.9Å |
| 232 | G | 90.9 | Very high | 87.9 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I228 Q229 S230 L234 V235 A236 | I228-G232 PolarHBondContact O-N 3.47Å; Q229-G232 CarbonylContact O-C 3.56Å; Q229-G232 WeakPolarHBondContact O-CA 3.45Å; Q229-G232 PolarHBondContact O-N 3.34Å; S230-G232 VanDerWaalsContact C-N 3.33Å; G232-L234 VanDerWaalsContact C-N 3.32Å; G232-L234 PolarHBondContact O-N 3.41Å; G232-V235 PolarHBondContact O-N 2.88Å; G232-A236 WeakPolarHBondContact O-CB 3.31Å; G232-A236 PolarHBondContact O-N 3.15Å |
| 233 | V | 92 | Very high | 87.8 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | I91 M169 A173 Q229 S230 A236 A237 F255 | I91-V233 HydrophobicContact CG1-CG1 4.21Å; M169-V233 HydrophobicContact CE-CG1 4.17Å; A173-V233 HydrophobicContact CB-CB 4.41Å; A173-V233 HydrophobicContact CB-CG1 3.89Å; Q229-V233 WeakPolarHBondContact O-CG2 3.29Å; Q229-V233 PolarHBondContact O-N 3.5Å; S230-V233 PolarHBondContact O-N 2.9Å; V233-A236 WeakPolarHBondContact O-CB 3.4Å; V233-A236 PolarHBondContact O-N 2.89Å; V233-A237 WeakPolarHBondContact O-CB 3.49Å; V233-A237 PolarHBondContact O-N 3.27Å; V233-F255 HydrophobicContact CG2-CE2 3.57Å; V233-F255 HydrophobicContact CG2-CZ 3.99Å |
| 234 | L | 94 | Very high | 87.7 | Confident | 43 Ų | 43 | 56.7 Ų | 56.7 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 176.3 | 179.1 | 62.9 | 0 | 0 | 0 | 112 | A173 A174 V177 S230 V231 G232 A236 A237 L238 | A173-L234 HydrophobicContact CB-CB 3.97Å; A173-L234 HydrophobicContact CB-CD1 4.08Å; A174-L234 HydrophobicContact CB-CD1 4.26Å; V177-L234 HydrophobicContact CG2-CB 4.14Å; V177-L234 HydrophobicContact CG2-CD2 4.03Å; S230-L234 WeakPolarHBondContact O-CB 3.33Å; S230-L234 PolarHBondContact O-N 3.22Å; V231-L234 WeakPolarHBondContact O-CB 3.48Å; V231-L234 PolarHBondContact O-N 3.03Å; G232-L234 VanDerWaalsContact C-N 3.32Å; G232-L234 PolarHBondContact O-N 3.41Å; L234-A236 VanDerWaalsContact C-N 3.34Å; L234-A237 WeakPolarHBondContact O-CB 3.21Å; L234-A237 PolarHBondContact O-N 3.49Å; L234-L238 WeakPolarHBondContact O-CG 3.43Å; L234-L238 PolarHBondContact O-N 2.85Å |
| 235 | V | 92.2 | Very high | 87.6 | Confident | 76 Ų | 76 | 56.2 Ų | 56.2 | 46% | 0.461 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | V231 G232 A237 L238 I239 | V231-V235 WeakPolarHBondContact O-CG2 3.39Å; V231-V235 PolarHBondContact O-N 2.9Å; G232-V235 PolarHBondContact O-N 2.88Å; V235-A237 VanDerWaalsContact C-N 3.34Å; V235-A237 PolarHBondContact O-N 3.2Å; V235-L238 PolarHBondContact O-N 3.47Å; V235-I239 HydrophobicContact CG1-CD1 3.84Å; V235-I239 HydrophobicContact CG1-CG1 4.49Å; V235-I239 VanDerWaalsContact O-CG1 3.31Å; V235-I239 WeakPolarHBondContact O-CG1 3.42Å; V235-I239 PolarHBondContact O-N 3.5Å |
| 236 | A | 90.2 | Very high | 87.9 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M169 G232 V233 L234 L238 I239 I240 I247 C251 | M169-A236 HydrophobicContact CE-CB 4.03Å; G232-A236 WeakPolarHBondContact O-CB 3.31Å; G232-A236 PolarHBondContact O-N 3.15Å; V233-A236 WeakPolarHBondContact O-CB 3.4Å; V233-A236 PolarHBondContact O-N 2.89Å; L234-A236 VanDerWaalsContact C-N 3.34Å; A236-L238 VanDerWaalsContact C-N 3.34Å; A236-L238 PolarHBondContact O-N 2.61Å; A236-I239 PolarHBondContact O-N 2.91Å; A236-I240 WeakPolarHBondContact O-CB 3.41Å; A236-I240 WeakPolarHBondContact O-CD1 3.4Å; A236-I240 WeakPolarHBondContact O-CG1 3.48Å; A236-I240 PolarHBondContact O-N 3.4Å; A236-I247 HydrophobicContact CB-CG2 3.88Å; A236-C251 HydrophobicContact CB-CB 4.18Å |
| 237 | A | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M169 L170 A173 V233 L234 V235 I239 I240 F241 | M169-A237 HydrophobicContact CB-CB 4.49Å; M169-A237 HydrophobicContact CE-CB 4.09Å; M169-A237 HydrophobicContact CG-CB 3.77Å; M169-A237 HydrophobicContact SD-CB 4.01Å; L170-A237 HydrophobicContact CB-CB 4.16Å; A173-A237 HydrophobicContact CB-CB 4.48Å; V233-A237 WeakPolarHBondContact O-CB 3.49Å; V233-A237 PolarHBondContact O-N 3.27Å; L234-A237 WeakPolarHBondContact O-CB 3.21Å; L234-A237 PolarHBondContact O-N 3.49Å; V235-A237 VanDerWaalsContact C-N 3.34Å; V235-A237 PolarHBondContact O-N 3.2Å; A237-I239 VanDerWaalsContact C-N 3.35Å; A237-I239 PolarHBondContact O-N 2.89Å; A237-I240 PolarHBondContact O-N 2.9Å; A237-F241 PolarHBondContact O-N 3.19Å; A237-F241 VanDerWaalsContact O-N 3.13Å |
| 238 | L | 90.9 | Very high | 88.1 | Confident | 89 Ų | 89 | 57 Ų | 57 | 47% | 0.466 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 176 | -71.3 | 172.4 | 0 | 0 | 0 | 112.2 | L170 L234 V235 A236 F241 F242 | L170-L238 HydrophobicContact CD1-CD2 3.84Å; L234-L238 WeakPolarHBondContact O-CG 3.43Å; L234-L238 PolarHBondContact O-N 2.85Å; V235-L238 PolarHBondContact O-N 3.47Å; A236-L238 VanDerWaalsContact C-N 3.34Å; A236-L238 PolarHBondContact O-N 2.61Å; L238-F241 WeakPolarHBondContact O-CB 3.45Å; L238-F242 VanDerWaalsContact O-CD2 3.26Å; L238-F242 WeakPolarHBondContact O-CD2 3.34Å |
| 239 | I | 88.2 | Confident | 88.3 | Confident | 64 Ų | 64 | 52.4 Ų | 52.4 | 33% | 0.328 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.7 | -40.8 | 177.8 | -63.7 | 166.3 | 0 | 0 | 0 | 110.9 | V235 A236 A237 F241 F242 L244 I247 | V235-I239 HydrophobicContact CG1-CD1 3.84Å; V235-I239 HydrophobicContact CG1-CG1 4.49Å; V235-I239 VanDerWaalsContact O-CG1 3.31Å; V235-I239 WeakPolarHBondContact O-CG1 3.42Å; V235-I239 PolarHBondContact O-N 3.5Å; A236-I239 PolarHBondContact O-N 2.91Å; A237-I239 VanDerWaalsContact C-N 3.35Å; A237-I239 PolarHBondContact O-N 2.89Å; I239-F241 PolarHBondContact O-N 2.83Å; I239-F242 WeakPolarHBondContact O-CB 3.42Å; I239-F242 PolarHBondContact O-N 3.48Å; I239-L244 HydrophobicContact CG2-CB 4.15Å; I239-L244 HydrophobicContact CG2-CD1 4.02Å; I239-I247 HydrophobicContact CG2-CD1 4.32Å; I239-I247 HydrophobicContact CG2-CG1 3.8Å |
| 240 | I | 85.3 | Confident | 88.4 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -31 | 178.3 | -69.9 | 163.3 | 0 | 0 | 0 | 111.1 | I164 A166 M169 A236 A237 F242 H243 L244 Q245 I247 D248 | I164-I240 HydrophobicContact CD1-CD1 4.39Å; I164-I240 HydrophobicContact CG2-CG2 4.49Å; A166-I240 HydrophobicContact CB-CG2 4.1Å; M169-I240 HydrophobicContact CE-CD1 3.7Å; M169-I240 HydrophobicContact SD-CD1 3.52Å; M169-I240 VanDerWaalsContact SD-CD1 3.52Å; A236-I240 WeakPolarHBondContact O-CB 3.41Å; A236-I240 WeakPolarHBondContact O-CD1 3.4Å; A236-I240 WeakPolarHBondContact O-CG1 3.48Å; A236-I240 PolarHBondContact O-N 3.4Å; A237-I240 PolarHBondContact O-N 2.9Å; I240-F242 PolarHBondContact O-N 3.08Å; I240-F242 VanDerWaalsContact O-N 3.13Å; I240-H243 PolarHBondContact O-N 3.36Å; I240-L244 WeakPolarHBondContact CG1-O 3.5Å; I240-Q245 HydrophobicContact CG2-CG 4.13Å; I240-I247 HydrophobicContact CG1-CB 4.11Å; I240-D248 HydrophobicContact CD1-CB 3.94Å |
| 241 | F | 81.9 | Confident | 88.4 | Confident | 120 Ų | 120 | 55.3 Ų | 55.3 | 53% | 0.526 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.6 | 172.1 | -167.2 | -93.8 | 0 | 0 | 0 | 113.1 | A237 L238 I239 H243 | A237-F241 PolarHBondContact O-N 3.19Å; A237-F241 VanDerWaalsContact O-N 3.13Å; L238-F241 WeakPolarHBondContact O-CB 3.45Å; I239-F241 PolarHBondContact O-N 2.83Å; F241-H243 VanDerWaalsContact C-N 3.3Å; F241-H243 PolarHBondContact O-N 2.87Å |
| 242 | F | 84 | Confident | 88.4 | Confident | 158 Ų | 158 | 52.8 Ų | 52.8 | 69% | 0.693 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 24.9 | 173.1 | -64.8 | -82.1 | 0 | 0 | 0 | 113.8 | L238 I239 I240 | L238-F242 VanDerWaalsContact O-CD2 3.26Å; L238-F242 WeakPolarHBondContact O-CD2 3.34Å; I239-F242 WeakPolarHBondContact O-CB 3.42Å; I239-F242 PolarHBondContact O-N 3.48Å; I240-F242 PolarHBondContact O-N 3.08Å; I240-F242 VanDerWaalsContact O-N 3.13Å |
| 243 | H | 76.2 | Confident | 88.6 | Confident | 173 Ų | 173 | 55.2 Ų | 55.2 | 80% | 0.801 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 24.9 | 175.7 | -56.1 | -73.6 | 0 | 0 | 0 | 116.6 | I240 F241 | I240-H243 PolarHBondContact O-N 3.36Å; F241-H243 VanDerWaalsContact C-N 3.3Å; F241-H243 PolarHBondContact O-N 2.87Å |
| 244 | L | 80.8 | Confident | 88.6 | Confident | 93 Ų | 93 | 59.6 Ų | 59.6 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | trans | -105.4 | 74.4 | 173.9 | -63.9 | 179.8 | 0 | 0 | 0 | 111.8 | I239 I240 I246 I247 | I239-L244 HydrophobicContact CG2-CB 4.15Å; I239-L244 HydrophobicContact CG2-CD1 4.02Å; I240-L244 WeakPolarHBondContact CG1-O 3.5Å; L244-I246 VanDerWaalsContact C-N 3.3Å; L244-I246 PolarHBondContact O-N 2.79Å; L244-I247 HydrophobicContact CB-CG1 3.91Å; L244-I247 WeakPolarHBondContact O-CB 3.31Å; L244-I247 WeakPolarHBondContact O-CG1 3.47Å; L244-I247 PolarHBondContact O-N 3.5Å | ||
| 245 | Q | 82.8 | Confident | 88.4 | Confident | 69 Ų | 69 | 58 Ų | 58 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -20.3 | -175.1 | -64.6 | 168.7 | -46.8 | 0 | 0 | 114.2 | F162 I164 I240 I247 D248 | F162-Q245 HydrophobicContact CB-CB 3.67Å; F162-Q245 HydrophobicContact CG-CB 4.24Å; F162-Q245 PolarHBondContact O-NE2 3.44Å; F162-Q245 PolarHBondContact O-OE1 3.33Å; I164-Q245 HydrophobicContact CD1-CB 4.21Å; I240-Q245 HydrophobicContact CG2-CG 4.13Å; Q245-I247 PolarHBondContact O-N 3.44Å; Q245-D248 PolarHBondContact O-N 3.41Å |
| 246 | I | 88.8 | Confident | 88.5 | Confident | 73 Ų | 73 | 54.6 Ų | 54.6 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.7 | 174.7 | -163.5 | 165.7 | 0 | 0 | 0 | 113.3 | F162 L244 D248 P249 I250 | F162-I246 HydrophobicContact CE1-CB 4.48Å; F162-I246 HydrophobicContact CE1-CG1 4.4Å; F162-I246 HydrophobicContact CZ-CB 4.28Å; F162-I246 HydrophobicContact CZ-CD1 4.48Å; F162-I246 HydrophobicContact CZ-CG1 4.03Å; L244-I246 VanDerWaalsContact C-N 3.3Å; L244-I246 PolarHBondContact O-N 2.79Å; I246-D248 VanDerWaalsContact C-N 3.25Å; I246-D248 PolarHBondContact O-N 3.35Å; I246-P249 WeakPolarHBondContact O-CD 3.25Å; I246-I250 HydrophobicContact CG1-CD1 4.3Å; I246-I250 HydrophobicContact CG2-CD1 4.39Å; I246-I250 WeakPolarHBondContact O-CG1 3.43Å |
| 247 | I | 90.6 | Very high | 88.6 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 20% | 0.195 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -29.3 | -179.8 | -63.9 | -66.8 | 0 | 0 | 0 | 111.9 | A236 I239 I240 L244 Q245 I250 C251 | A236-I247 HydrophobicContact CB-CG2 3.88Å; I239-I247 HydrophobicContact CG2-CD1 4.32Å; I239-I247 HydrophobicContact CG2-CG1 3.8Å; I240-I247 HydrophobicContact CG1-CB 4.11Å; L244-I247 HydrophobicContact CB-CG1 3.91Å; L244-I247 WeakPolarHBondContact O-CB 3.31Å; L244-I247 WeakPolarHBondContact O-CG1 3.47Å; L244-I247 PolarHBondContact O-N 3.5Å; Q245-I247 PolarHBondContact O-N 3.44Å; I247-I250 HydrophobicContact CD1-CD1 4.46Å; I247-I250 PolarHBondContact O-N 3.39Å; I247-C251 VanDerWaalsContact O-CB 3.29Å; I247-C251 WeakPolarHBondContact O-CB 3.47Å; I247-C251 PolarHBondContact O-N 3.39Å |
| 248 | D | 89.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.4 | -54 | -178.3 | 176.3 | 89.8 | 0 | 0 | 0 | 112.5 | S88 L89 A90 R156 I164 I240 Q245 I246 I250 C251 T252 | S88-D248 PolarHBondContact OG-OD1 2.94Å; L89-D248 VanDerWaalsContact CB-OD2 3.22Å; L89-D248 WeakPolarHBondContact CB-OD2 3.36Å; L89-D248 PolarHBondContact N-OD1 3.28Å; L89-D248 PolarHBondContact N-OD2 3.34Å; A90-D248 WeakPolarHBondContact CB-OD1 3.49Å; A90-D248 PolarHBondContact N-OD1 3.5Å; R156-D248 IonicContact CZ-OD2 3.72Å; R156-D248 IonicContact NH1-OD2 3.73Å; R156-D248 PolarHBondContact NH1-OD2 3.37Å; I164-D248 HydrophobicContact CD1-CB 3.45Å; I164-D248 VanDerWaalsContact CD1-CB 3.45Å; I240-D248 HydrophobicContact CD1-CB 3.94Å; Q245-D248 PolarHBondContact O-N 3.41Å; I246-D248 VanDerWaalsContact C-N 3.25Å; I246-D248 PolarHBondContact O-N 3.35Å; D248-I250 VanDerWaalsContact C-N 3.35Å; D248-I250 PolarHBondContact O-N 2.97Å; D248-C251 VanDerWaalsContact O-CB 3.31Å; D248-C251 WeakPolarHBondContact O-CB 3.39Å; D248-C251 PolarHBondContact O-N 2.71Å; D248-T252 PolarHBondContact O-N 2.96Å; D248-T252 VanDerWaalsContact O-N 3.1Å; D248-T252 PolarHBondContact O-OG1 3.01Å |
| 249 | P | 92.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58 | -41 | 170.8 | -25 | 28.9 | 0 | 0 | 0 | 114.5 | A153 R156 I157 F162 I246 C251 T252 F253 | A153-P249 HydrophobicContact CB-CB 4.23Å; R156-P249 HydrophobicContact CB-CG 4.11Å; R156-P249 HydrophobicContact CG-CG 3.98Å; I157-P249 HydrophobicContact CD1-CB 3.93Å; I157-P249 HydrophobicContact CG1-CB 3.72Å; I157-P249 HydrophobicContact CG1-CG 4.05Å; F162-P249 HydrophobicContact CE1-CG 4.02Å; I246-P249 WeakPolarHBondContact O-CD 3.25Å; P249-C251 VanDerWaalsContact C-N 3.25Å; P249-C251 PolarHBondContact O-N 3.07Å; P249-T252 WeakPolarHBondContact O-CB 3.29Å; P249-T252 PolarHBondContact O-N 3.26Å; P249-T252 VanDerWaalsContact O-N 3.15Å; P249-F253 WeakPolarHBondContact O-CD2 3.46Å; P249-F253 PolarHBondContact O-N 3.25Å |
| 250 | I | 92.2 | Very high | 88.6 | Confident | 68 Ų | 68 | 61 Ų | 61 | 35% | 0.349 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 179.7 | -65.9 | 170.3 | 0 | 0 | 0 | 109.9 | I246 I247 D248 F253 I254 | I246-I250 HydrophobicContact CG1-CD1 4.3Å; I246-I250 HydrophobicContact CG2-CD1 4.39Å; I246-I250 WeakPolarHBondContact O-CG1 3.43Å; I247-I250 HydrophobicContact CD1-CD1 4.46Å; I247-I250 PolarHBondContact O-N 3.39Å; D248-I250 VanDerWaalsContact C-N 3.35Å; D248-I250 PolarHBondContact O-N 2.97Å; I250-F253 PolarHBondContact O-N 2.96Å; I250-I254 HydrophobicContact CG2-CD1 4Å; I250-I254 WeakPolarHBondContact O-CG1 3.45Å; I250-I254 PolarHBondContact O-N 3.4Å |
| 251 | C | 91 | Very high | 88.9 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 8% | 0.081 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60 | -46.8 | 175.2 | -155 | 0 | 0 | 0 | 0 | 111 | A90 A236 I247 D248 P249 F253 I254 F255 | A90-C251 HydrophobicContact CB-CB 4.43Å; A236-C251 HydrophobicContact CB-CB 4.18Å; I247-C251 VanDerWaalsContact O-CB 3.29Å; I247-C251 WeakPolarHBondContact O-CB 3.47Å; I247-C251 PolarHBondContact O-N 3.39Å; D248-C251 VanDerWaalsContact O-CB 3.31Å; D248-C251 WeakPolarHBondContact O-CB 3.39Å; D248-C251 PolarHBondContact O-N 2.71Å; P249-C251 VanDerWaalsContact C-N 3.25Å; P249-C251 PolarHBondContact O-N 3.07Å; C251-F253 VanDerWaalsContact C-N 3.35Å; C251-F253 PolarHBondContact O-N 3.01Å; C251-I254 PolarHBondContact O-N 3.37Å; C251-I254 VanDerWaalsContact O-N 3.17Å; C251-F255 HydrophobicContact CB-CE2 4.33Å; C251-F255 VanDerWaalsContact O-CD2 3.29Å; C251-F255 WeakPolarHBondContact O-CD2 3.48Å; C251-F255 WeakPolarHBondContact O-CG 3.32Å; C251-F255 PolarHBondContact O-N 2.82Å; C251-F255 WeakPolarHBondContact SG-CE2 3.34Å; C251-F255 WeakPolarHBondContact SG-CZ 3.48Å |
| 252 | T | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.8 | -42.1 | 174.5 | -63.8 | 0 | 0 | 0 | 0 | 112.6 | L89 T93 L149 A153 D248 P249 F255 S256 | L89-T252 HydrophobicContact CD2-CG2 4.19Å; L89-T252 HydrophobicContact CG-CG2 4.37Å; T93-T252 HydrophobicContact CG2-CG2 4.29Å; T93-T252 WeakPolarHBondContact OG1-CG2 3.32Å; T93-T252 PolarHBondContact OG1-OG1 3.3Å; L149-T252 HydrophobicContact CB-CG2 4.24Å; A153-T252 HydrophobicContact CB-CG2 3.93Å; D248-T252 PolarHBondContact O-N 2.96Å; D248-T252 VanDerWaalsContact O-N 3.1Å; D248-T252 PolarHBondContact O-OG1 3.01Å; P249-T252 WeakPolarHBondContact O-CB 3.29Å; P249-T252 PolarHBondContact O-N 3.26Å; P249-T252 VanDerWaalsContact O-N 3.15Å; T252-F255 PolarHBondContact O-N 2.94Å; T252-S256 VanDerWaalsContact O-CB 3.28Å; T252-S256 WeakPolarHBondContact O-CB 3.43Å; T252-S256 PolarHBondContact O-N 3.36Å; T252-S256 PolarHBondContact O-OG 3.36Å |
| 253 | F | 94.5 | Very high | 89.3 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 32% | 0.32 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.4 | -76.6 | -69.9 | 0 | 0 | 0 | 112.5 | V150 A153 A154 I157 P249 I250 C251 S256 L257 | V150-F253 HydrophobicContact CG1-CD1 4.19Å; V150-F253 HydrophobicContact CG1-CE1 3.75Å; A153-F253 HydrophobicContact CB-CD2 4.25Å; A153-F253 HydrophobicContact CB-CE1 4.49Å; A153-F253 HydrophobicContact CB-CE2 3.75Å; A153-F253 HydrophobicContact CB-CZ 3.91Å; A154-F253 HydrophobicContact CB-CZ 4.02Å; I157-F253 HydrophobicContact CD1-CD2 4.4Å; I157-F253 HydrophobicContact CD1-CE2 3.66Å; P249-F253 WeakPolarHBondContact O-CD2 3.46Å; P249-F253 PolarHBondContact O-N 3.25Å; I250-F253 PolarHBondContact O-N 2.96Å; C251-F253 VanDerWaalsContact C-N 3.35Å; C251-F253 PolarHBondContact O-N 3.01Å; F253-S256 PolarHBondContact O-N 2.82Å; F253-L257 PolarHBondContact O-N 3.47Å |
| 254 | I | 92.8 | Very high | 90.1 | Very high | 93 Ų | 93 | 49.5 Ų | 49.5 | 48% | 0.477 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 178.7 | -69 | 168.2 | 0 | 0 | 0 | 110 | I250 C251 L257 L258 | I250-I254 HydrophobicContact CG2-CD1 4Å; I250-I254 WeakPolarHBondContact O-CG1 3.45Å; I250-I254 PolarHBondContact O-N 3.4Å; C251-I254 PolarHBondContact O-N 3.37Å; C251-I254 VanDerWaalsContact O-N 3.17Å; I254-L257 PolarHBondContact O-N 3.39Å; I254-L258 HydrophobicContact CG2-CD1 4.25Å; I254-L258 WeakPolarHBondContact O-CG 3.37Å; I254-L258 PolarHBondContact O-N 2.87Å |
| 255 | F | 89.7 | Confident | 90.5 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 4% | 0.044 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 178 | -61.6 | -36.5 | 0 | 0 | 0 | 112.8 | Q229 V233 C251 T252 L257 L258 V259 | Q229-F255 HydrophobicContact CB-CE1 4.44Å; Q229-F255 HydrophobicContact CG-CD1 4.03Å; Q229-F255 HydrophobicContact CG-CE1 4.38Å; Q229-F255 HydrophobicContact CG-CG 4.41Å; Q229-F255 VanDerWaalsContact O-CZ 3.25Å; Q229-F255 WeakPolarHBondContact O-CZ 2.96Å; V233-F255 HydrophobicContact CG2-CE2 3.57Å; V233-F255 HydrophobicContact CG2-CZ 3.99Å; C251-F255 HydrophobicContact CB-CE2 4.33Å; C251-F255 VanDerWaalsContact O-CD2 3.29Å; C251-F255 WeakPolarHBondContact O-CD2 3.48Å; C251-F255 WeakPolarHBondContact O-CG 3.32Å; C251-F255 PolarHBondContact O-N 2.82Å; C251-F255 WeakPolarHBondContact SG-CE2 3.34Å; C251-F255 WeakPolarHBondContact SG-CZ 3.48Å; T252-F255 PolarHBondContact O-N 2.94Å; F255-L257 VanDerWaalsContact C-N 3.26Å; F255-L257 PolarHBondContact O-N 3.43Å; F255-L258 HydrophobicContact CD1-CD1 4.31Å; F255-L258 PolarHBondContact O-N 3.2Å; F255-L258 VanDerWaalsContact O-N 3.11Å; F255-V259 WeakPolarHBondContact O-CG2 3.38Å; F255-V259 PolarHBondContact O-N 3.38Å |
| 256 | S | 92.5 | Very high | 90.7 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 175.3 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | V150 T252 F253 L260 | V150-S256 VanDerWaalsContact CG2-CB 3.43Å; V150-S256 VanDerWaalsContact CG2-OG 3.3Å; V150-S256 WeakPolarHBondContact CG2-OG 3.34Å; T252-S256 VanDerWaalsContact O-CB 3.28Å; T252-S256 WeakPolarHBondContact O-CB 3.43Å; T252-S256 PolarHBondContact O-N 3.36Å; T252-S256 PolarHBondContact O-OG 3.36Å; F253-S256 PolarHBondContact O-N 2.82Å; S256-L260 VanDerWaalsContact O-CB 3.26Å; S256-L260 WeakPolarHBondContact O-CB 3.26Å; S256-L260 PolarHBondContact O-N 3.26Å |
| 257 | L | 92.7 | Very high | 90.9 | Very high | 120 Ų | 120 | 47.9 Ų | 47.9 | 63% | 0.628 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.2 | -40.2 | 176.3 | -176.2 | 62.7 | 0 | 0 | 0 | 112.1 | F253 I254 F255 L260 A261 | F253-L257 PolarHBondContact O-N 3.47Å; I254-L257 PolarHBondContact O-N 3.39Å; F255-L257 VanDerWaalsContact C-N 3.26Å; F255-L257 PolarHBondContact O-N 3.43Å; L257-L260 PolarHBondContact O-N 2.84Å; L257-A261 WeakPolarHBondContact O-CB 3.48Å; L257-A261 PolarHBondContact O-N 3.35Å |
| 258 | L | 89.5 | Confident | 91 | Very high | 85 Ų | 85 | 52.6 Ų | 52.6 | 45% | 0.445 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 176.8 | -71.1 | 174.7 | 0 | 0 | 0 | 111.6 | I254 F255 L260 A261 T262 | I254-L258 HydrophobicContact CG2-CD1 4.25Å; I254-L258 WeakPolarHBondContact O-CG 3.37Å; I254-L258 PolarHBondContact O-N 2.87Å; F255-L258 HydrophobicContact CD1-CD1 4.31Å; F255-L258 PolarHBondContact O-N 3.2Å; F255-L258 VanDerWaalsContact O-N 3.11Å; L258-L260 VanDerWaalsContact C-N 3.33Å; L258-L260 PolarHBondContact O-N 3.38Å; L258-A261 PolarHBondContact O-N 3.2Å; L258-T262 WeakPolarHBondContact O-CG2 3.45Å; L258-T262 PolarHBondContact O-N 2.94Å; L258-T262 PolarHBondContact O-OG1 3.37Å |
| 259 | V | 89 | Confident | 91 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 9% | 0.085 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 177.6 | 172.4 | 0 | 0 | 0 | 0 | 111 | I142 F255 T262 T263 | I142-V259 HydrophobicContact CG2-CG1 3.45Å; I142-V259 VanDerWaalsContact CG2-CG1 3.45Å; F255-V259 WeakPolarHBondContact O-CG2 3.38Å; F255-V259 PolarHBondContact O-N 3.38Å; V259-T262 PolarHBondContact O-OG1 3.07Å; V259-T263 HydrophobicContact CG1-CG2 4.31Å; V259-T263 WeakPolarHBondContact O-CB 3.44Å; V259-T263 VanDerWaalsContact O-CG2 3.28Å; V259-T263 WeakPolarHBondContact O-CG2 3.32Å; V259-T263 PolarHBondContact O-N 3.11Å; V259-T263 PolarHBondContact O-OG1 3.14Å |
| 260 | L | 92 | Very high | 90.9 | Very high | 71 Ų | 71 | 53.9 Ų | 53.9 | 37% | 0.372 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 175.7 | -173.8 | 62.4 | 0 | 0 | 0 | 111.4 | W143 S256 L257 L258 T262 T263 V264 | W143-L260 HydrophobicContact CD2-CD1 4.17Å; W143-L260 HydrophobicContact CG-CD1 4.34Å; W143-L260 HydrophobicContact CZ2-CD1 4.1Å; S256-L260 VanDerWaalsContact O-CB 3.26Å; S256-L260 WeakPolarHBondContact O-CB 3.26Å; S256-L260 PolarHBondContact O-N 3.26Å; L257-L260 PolarHBondContact O-N 2.84Å; L258-L260 VanDerWaalsContact C-N 3.33Å; L258-L260 PolarHBondContact O-N 3.38Å; L260-T262 PolarHBondContact O-N 3.37Å; L260-T263 PolarHBondContact O-N 3.27Å; L260-T263 PolarHBondContact O-OG1 2.97Å; L260-V264 HydrophobicContact CD1-CG2 3.98Å; L260-V264 HydrophobicContact CG-CG2 4.16Å; L260-V264 WeakPolarHBondContact O-CB 3.39Å; L260-V264 WeakPolarHBondContact O-CG2 3.45Å; L260-V264 PolarHBondContact O-N 3.29Å |
| 261 | A | 91.3 | Very high | 91 | Very high | 67 Ų | 67 | 53.8 Ų | 53.8 | 55% | 0.554 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L257 L258 | L257-A261 WeakPolarHBondContact O-CB 3.48Å; L257-A261 PolarHBondContact O-N 3.35Å; L258-A261 PolarHBondContact O-N 3.2Å |
| 262 | T | 85.2 | Confident | 91.1 | Very high | 91 Ų | 91 | 55.8 Ų | 55.8 | 56% | 0.558 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -70.8 | -41.1 | 178.5 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | L258 V259 L260 | L258-T262 WeakPolarHBondContact O-CG2 3.45Å; L258-T262 PolarHBondContact O-N 2.94Å; L258-T262 PolarHBondContact O-OG1 3.37Å; V259-T262 PolarHBondContact O-OG1 3.07Å; L260-T262 PolarHBondContact O-N 3.37Å |
| 263 | T | 89.3 | Confident | 91.1 | Very high | 10 Ų | 10 | 56 Ų | 56 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -78.5 | -26.3 | -177.1 | 57.2 | 0 | 0 | 0 | 0 | 114.2 | I142 W143 V259 L260 H265 I266 M267 | I142-T263 HydrophobicContact CD1-CG2 4.27Å; I142-T263 HydrophobicContact CG2-CG2 4.2Å; W143-T263 PolarHBondContact NE1-OG1 3.2Å; V259-T263 HydrophobicContact CG1-CG2 4.31Å; V259-T263 WeakPolarHBondContact O-CB 3.44Å; V259-T263 VanDerWaalsContact O-CG2 3.28Å; V259-T263 WeakPolarHBondContact O-CG2 3.32Å; V259-T263 PolarHBondContact O-N 3.11Å; V259-T263 PolarHBondContact O-OG1 3.14Å; L260-T263 PolarHBondContact O-N 3.27Å; L260-T263 PolarHBondContact O-OG1 2.97Å; T263-H265 PolarHBondContact O-N 3Å; T263-I266 WeakPolarHBondContact O-CB 3.21Å; T263-I266 PolarHBondContact O-N 2.8Å; T263-I266 VanDerWaalsContact O-N 3.12Å; T263-M267 PolarHBondContact O-N 3.2Å |
| 264 | V | 93 | Very high | 91 | Very high | 48 Ų | 48 | 55.2 Ų | 55.2 | 29% | 0.291 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.5 | -35.2 | 173.6 | 163.3 | 0 | 0 | 0 | 0 | 111.7 | W143 L260 M267 K268 | W143-V264 HydrophobicContact CH2-CG2 4.27Å; W143-V264 HydrophobicContact CZ2-CG2 3.62Å; L260-V264 HydrophobicContact CD1-CG2 3.98Å; L260-V264 HydrophobicContact CG-CG2 4.16Å; L260-V264 WeakPolarHBondContact O-CB 3.39Å; L260-V264 WeakPolarHBondContact O-CG2 3.45Å; L260-V264 PolarHBondContact O-N 3.29Å; V264-M267 PolarHBondContact O-N 3.35Å; V264-K268 WeakPolarHBondContact O-CG 3.46Å; V264-K268 PolarHBondContact O-N 3.17Å |
| 265 | H | 88.9 | Confident | 91 | Very high | 100 Ų | 100 | 57.8 Ų | 57.8 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 175.7 | -176.1 | 82.6 | 0 | 0 | 0 | 111.9 | T263 K268 D269 R280 | T263-H265 PolarHBondContact O-N 3Å; H265-K268 PolarHBondContact O-N 3.03Å; H265-D269 IonicContact CD2-OD2 3.42Å; H265-D269 IonicContact NE2-OD2 3.79Å; H265-D269 PolarHBondContact O-N 3.49Å; H265-R280 VanDerWaalsContact CE1-CZ 3.49Å; H265-R280 PolarHBondContact CE1-NH1 2.68Å; H265-R280 PolarHBondContact CE1-NH2 3.32Å; H265-R280 PolarHBondContact NE2-NH1 3.42Å |
| 266 | I | 88.2 | Confident | 91.2 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65 | -43.8 | 176.5 | -57.6 | 174 | 0 | 0 | 0 | 110.1 | V139 T263 K268 D269 V270 | V139-I266 HydrophobicContact CG2-CB 4.42Å; V139-I266 HydrophobicContact CG2-CG2 3.94Å; T263-I266 WeakPolarHBondContact O-CB 3.21Å; T263-I266 PolarHBondContact O-N 2.8Å; T263-I266 VanDerWaalsContact O-N 3.12Å; I266-K268 VanDerWaalsContact C-N 3.3Å; I266-K268 PolarHBondContact O-N 3.29Å; I266-D269 PolarHBondContact O-N 2.86Å; I266-D269 VanDerWaalsContact O-N 3.08Å; I266-V270 HydrophobicContact CG2-CG2 4.38Å; I266-V270 WeakPolarHBondContact O-CG2 3.46Å; I266-V270 PolarHBondContact O-N 3.21Å |
| 267 | M | 92.5 | Very high | 91.1 | Very high | 25 Ų | 25 | 63.4 Ų | 63.4 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.8 | -44.6 | 176.1 | -176.2 | 62.8 | 95.2 | 0 | 0 | 111.6 | L136 V139 I140 W143 T263 V264 D269 V270 V271 | L136-M267 HydrophobicContact CD1-CE 4.21Å; L136-M267 HydrophobicContact CD1-SD 3.64Å; V139-M267 HydrophobicContact CB-CE 4.29Å; V139-M267 HydrophobicContact CG1-CB 4.16Å; V139-M267 HydrophobicContact CG1-CE 3.66Å; V139-M267 HydrophobicContact CG1-SD 4.33Å; I140-M267 HydrophobicContact CG1-CE 4.08Å; W143-M267 HydrophobicContact CD2-CE 4.42Å; W143-M267 HydrophobicContact CE3-CE 4.13Å; W143-M267 HydrophobicContact CH2-CB 4.32Å; W143-M267 HydrophobicContact CH2-CE 3.86Å; W143-M267 HydrophobicContact CH2-CG 3.94Å; W143-M267 HydrophobicContact CZ2-CB 4.08Å; W143-M267 HydrophobicContact CZ2-CE 4.14Å; W143-M267 HydrophobicContact CZ2-CG 4.19Å; W143-M267 HydrophobicContact CZ3-CE 3.85Å; T263-M267 PolarHBondContact O-N 3.2Å; V264-M267 PolarHBondContact O-N 3.35Å; M267-D269 VanDerWaalsContact C-N 3.27Å; M267-D269 PolarHBondContact O-N 3.36Å; M267-V270 PolarHBondContact O-N 2.97Å; M267-V271 HydrophobicContact CG-CG2 4.32Å; M267-V271 WeakPolarHBondContact O-CB 3.44Å; M267-V271 VanDerWaalsContact O-CG2 3.29Å; M267-V271 WeakPolarHBondContact O-CG2 3.43Å; M267-V271 PolarHBondContact O-N 3.07Å; M267-V271 HydrophobicContact SD-CG2 4.2Å |
| 268 | K | 92.5 | Very high | 91.1 | Very high | 136 Ų | 136 | 59.7 Ų | 59.7 | 59% | 0.591 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.3 | -37.8 | 177.7 | -75.3 | 176.4 | 178.1 | -179.6 | 0 | 112.3 | V264 H265 I266 N272 | V264-K268 WeakPolarHBondContact O-CG 3.46Å; V264-K268 PolarHBondContact O-N 3.17Å; H265-K268 PolarHBondContact O-N 3.03Å; I266-K268 VanDerWaalsContact C-N 3.3Å; I266-K268 PolarHBondContact O-N 3.29Å; K268-N272 VanDerWaalsContact O-CB 3.32Å; K268-N272 WeakPolarHBondContact O-CB 3.32Å; K268-N272 PolarHBondContact O-N 3.18Å |
| 269 | D | 89.5 | Confident | 91 | Very high | 28 Ų | 28 | 56.5 Ų | 56.5 | 15% | 0.15 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.2 | -44.9 | 177.5 | -71.5 | -29.5 | 0 | 0 | 0 | 112.4 | H265 I266 M267 V271 N272 V273 R280 M310 | H265-D269 IonicContact CD2-OD2 3.42Å; H265-D269 IonicContact NE2-OD2 3.79Å; H265-D269 PolarHBondContact O-N 3.49Å; I266-D269 PolarHBondContact O-N 2.86Å; I266-D269 VanDerWaalsContact O-N 3.08Å; M267-D269 VanDerWaalsContact C-N 3.27Å; M267-D269 PolarHBondContact O-N 3.36Å; D269-V271 VanDerWaalsContact C-N 3.32Å; D269-V271 PolarHBondContact O-N 3.16Å; D269-N272 WeakPolarHBondContact O-CB 3.23Å; D269-N272 PolarHBondContact O-N 3.29Å; D269-V273 WeakPolarHBondContact O-CG2 3.34Å; D269-V273 PolarHBondContact O-N 3.24Å; D269-R280 IonicContact OD1-CZ 3.91Å; D269-R280 IonicContact OD1-NE 3.18Å; D269-R280 PolarHBondContact OD1-NE 3.38Å; D269-R280 IonicContact OD1-NH1 3.14Å; D269-R280 PolarHBondContact OD1-NH1 3.08Å; D269-R280 IonicContact OD1-NH2 3.86Å; D269-R280 PolarHBondContact OD1-NH2 3.33Å; D269-R280 IonicContact OD2-CZ 2.65Å; D269-R280 IonicContact OD2-NE 3.94Å; D269-R280 IonicContact OD2-NH1 2.83Å; D269-R280 PolarHBondContact OD2-NH1 3.47Å; D269-R280 IonicContact OD2-NH2 3.81Å; D269-R280 PolarHBondContact OD2-NH2 3.43Å; D269-M310 HydrophobicContact CB-CE 3.62Å; D269-M310 HydrophobicContact CB-SD 4.35Å |
| 270 | V | 90.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | V132 A135 L136 I266 M267 N272 V273 L274 M310 | V132-V270 HydrophobicContact CG1-CG1 3.91Å; A135-V270 HydrophobicContact CB-CG2 3.82Å; L136-V270 HydrophobicContact CB-CG1 3.67Å; L136-V270 HydrophobicContact CD1-CG1 3.96Å; L136-V270 HydrophobicContact CG-CG1 4.35Å; I266-V270 HydrophobicContact CG2-CG2 4.38Å; I266-V270 WeakPolarHBondContact O-CG2 3.46Å; I266-V270 PolarHBondContact O-N 3.21Å; M267-V270 PolarHBondContact O-N 2.97Å; V270-N272 PolarHBondContact O-N 3.27Å; V270-V273 PolarHBondContact O-N 3.41Å; V270-L274 HydrophobicContact CG1-CD1 4.1Å; V270-L274 WeakPolarHBondContact O-CG 3.5Å; V270-L274 PolarHBondContact O-N 3.34Å; V270-M310 HydrophobicContact CG2-CE 4.38Å |
| 271 | V | 93.9 | Very high | 90.3 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 39% | 0.394 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 176.8 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | M267 D269 V273 L274 M275 | M267-V271 HydrophobicContact CG-CG2 4.32Å; M267-V271 WeakPolarHBondContact O-CB 3.44Å; M267-V271 VanDerWaalsContact O-CG2 3.29Å; M267-V271 WeakPolarHBondContact O-CG2 3.43Å; M267-V271 PolarHBondContact O-N 3.07Å; M267-V271 HydrophobicContact SD-CG2 4.2Å; D269-V271 VanDerWaalsContact C-N 3.32Å; D269-V271 PolarHBondContact O-N 3.16Å; V271-V273 VanDerWaalsContact C-N 3.32Å; V271-V273 PolarHBondContact O-N 3.32Å; V271-L274 PolarHBondContact O-N 3.38Å; V271-M275 HydrophobicContact CG1-CG 3.93Å; V271-M275 VanDerWaalsContact O-CB 3.32Å; V271-M275 WeakPolarHBondContact O-CB 3.26Å; V271-M275 WeakPolarHBondContact O-CG 3.16Å; V271-M275 PolarHBondContact O-N 2.89Å |
| 272 | N | 92.4 | Very high | 90.3 | Very high | 54 Ų | 54 | 61.2 Ų | 61.2 | 29% | 0.289 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.5 | -42.7 | 176.7 | -174.6 | 71.2 | 0 | 0 | 0 | 111.9 | K268 D269 V270 M275 E276 G277 S278 | K268-N272 VanDerWaalsContact O-CB 3.32Å; K268-N272 WeakPolarHBondContact O-CB 3.32Å; K268-N272 PolarHBondContact O-N 3.18Å; D269-N272 WeakPolarHBondContact O-CB 3.23Å; D269-N272 PolarHBondContact O-N 3.29Å; V270-N272 PolarHBondContact O-N 3.27Å; N272-M275 PolarHBondContact O-N 3.45Å; N272-E276 PolarHBondContact O-N 2.81Å; N272-G277 WeakPolarHBondContact O-CA 3.25Å; N272-G277 PolarHBondContact O-N 2.71Å; N272-S278 PolarHBondContact ND2-O 3.27Å |
| 273 | V | 91.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.024 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.3 | -38 | 177.1 | 179.1 | 0 | 0 | 0 | 0 | 112 | R129 V132 D269 V270 V271 E276 M310 | R129-V273 PolarHBondContact NH1-O 3.49Å; R129-V273 VanDerWaalsContact NH1-O 3.14Å; V132-V273 HydrophobicContact CB-CG1 4.44Å; V132-V273 HydrophobicContact CG1-CB 4.1Å; V132-V273 HydrophobicContact CG1-CG1 4.02Å; V132-V273 HydrophobicContact CG2-CB 4.43Å; V132-V273 HydrophobicContact CG2-CG1 3.59Å; D269-V273 WeakPolarHBondContact O-CG2 3.34Å; D269-V273 PolarHBondContact O-N 3.24Å; V270-V273 PolarHBondContact O-N 3.41Å; V271-V273 VanDerWaalsContact C-N 3.32Å; V271-V273 PolarHBondContact O-N 3.32Å; V273-E276 PolarHBondContact O-N 3.22Å; V273-M310 HydrophobicContact CG2-SD 3.91Å |
| 274 | L | 92.5 | Very high | 90.7 | Very high | 58 Ų | 58 | 63.1 Ų | 63.1 | 30% | 0.304 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.3 | -34.1 | 176.4 | -68.9 | 175.9 | 0 | 0 | 0 | 112.7 | V132 L133 L136 V270 V271 E276 | V132-L274 HydrophobicContact CB-CD2 4.46Å; V132-L274 HydrophobicContact CG1-CD1 4.49Å; V132-L274 HydrophobicContact CG1-CD2 3.8Å; V132-L274 HydrophobicContact CG1-CG 3.8Å; L133-L274 HydrophobicContact CD2-CD2 4.27Å; L136-L274 HydrophobicContact CD2-CD1 3.89Å; V270-L274 HydrophobicContact CG1-CD1 4.1Å; V270-L274 WeakPolarHBondContact O-CG 3.5Å; V270-L274 PolarHBondContact O-N 3.34Å; V271-L274 PolarHBondContact O-N 3.38Å; L274-E276 PolarHBondContact O-N 2.85Å |
| 275 | M | 93.7 | Very high | 90.7 | Very high | 146 Ų | 146 | 65.5 Ų | 65.5 | 72% | 0.719 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 7 | 176.2 | -67.3 | -61.7 | -62.3 | 0 | 0 | 113.3 | V271 N272 G277 | V271-M275 HydrophobicContact CG1-CG 3.93Å; V271-M275 VanDerWaalsContact O-CB 3.32Å; V271-M275 WeakPolarHBondContact O-CB 3.26Å; V271-M275 WeakPolarHBondContact O-CG 3.16Å; V271-M275 PolarHBondContact O-N 2.89Å; N272-M275 PolarHBondContact O-N 3.45Å; M275-G277 PolarHBondContact O-N 3.03Å |
| 276 | E | 92.9 | Very high | 90.9 | Very high | 116 Ų | 116 | 63.7 Ų | 63.7 | 54% | 0.542 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 32.6 | -177.9 | -51.1 | -168.6 | 151.7 | 0 | 0 | 112.8 | R129 N272 V273 L274 W306 | R129-E276 IonicContact NH2-OE1 2.89Å; R129-E276 PolarHBondContact NH2-OE1 3.01Å; N272-E276 PolarHBondContact O-N 2.81Å; V273-E276 PolarHBondContact O-N 3.22Å; L274-E276 PolarHBondContact O-N 2.85Å; E276-W306 HydrophobicContact CB-CB 4.08Å; E276-W306 WeakPolarHBondContact O-CB 3.35Å |
| 277 | G | 91.7 | Very high | 91.2 | Very high | 17 Ų | 17 | 60.1 Ų | 60.1 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 156 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N272 M275 S307 | N272-G277 WeakPolarHBondContact O-CA 3.25Å; N272-G277 PolarHBondContact O-N 2.71Å; M275-G277 PolarHBondContact O-N 3.03Å; G277-S307 PolarHBondContact O-N 2.94Å; G277-S307 PolarHBondContact O-OG 3.01Å |
| 278 | S | 91.5 | Very high | 91.4 | Very high | 43 Ų | 43 | 61 Ų | 61 | 30% | 0.301 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -61 | 138.6 | 173.2 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | N272 | N272-S278 PolarHBondContact ND2-O 3.27Š|
| 279 | P | 87.7 | Confident | 91.5 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 151.8 | 176.6 | 28.5 | -37.6 | 0 | 0 | 0 | 111.5 | G281 I282 I305 S307 I313 | P279-G281 PolarHBondContact O-N 2.88Å; P279-I282 HydrophobicContact CG-CB 4.06Å; P279-I282 HydrophobicContact CG-CD1 3.64Å; P279-I282 HydrophobicContact CG-CG1 3.84Å; P279-I282 PolarHBondContact O-N 3.36Å; P279-I305 HydrophobicContact CG-CG2 4.36Å; P279-S307 WeakPolarHBondContact CA-OG 3.39Å; P279-S307 WeakPolarHBondContact CB-OG 3.33Å; P279-I313 HydrophobicContact CB-CD1 4.35Å; P279-I313 HydrophobicContact CB-CG1 4.17Å; P279-I313 HydrophobicContact CG-CD1 4Å; P279-I313 HydrophobicContact CG-CG1 3.88Å; P279-I313 HydrophobicContact CG-CG2 4.09Å |
| 280 | R | 82.5 | Confident | 91.8 | Very high | 139 Ų | 139 | 60.7 Ų | 60.7 | 53% | 0.525 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 131.7 | 174.7 | -71.1 | -175 | 174.4 | 167.4 | 6.2 | 110.5 | H265 D269 | H265-R280 VanDerWaalsContact CE1-CZ 3.49Å; H265-R280 PolarHBondContact CE1-NH1 2.68Å; H265-R280 PolarHBondContact CE1-NH2 3.32Å; H265-R280 PolarHBondContact NE2-NH1 3.42Å; D269-R280 IonicContact OD1-CZ 3.91Å; D269-R280 IonicContact OD1-NE 3.18Å; D269-R280 PolarHBondContact OD1-NE 3.38Å; D269-R280 IonicContact OD1-NH1 3.14Å; D269-R280 PolarHBondContact OD1-NH1 3.08Å; D269-R280 IonicContact OD1-NH2 3.86Å; D269-R280 PolarHBondContact OD1-NH2 3.33Å; D269-R280 IonicContact OD2-CZ 2.65Å; D269-R280 IonicContact OD2-NE 3.94Å; D269-R280 IonicContact OD2-NH1 2.83Å; D269-R280 PolarHBondContact OD2-NH1 3.47Å; D269-R280 IonicContact OD2-NH2 3.81Å; D269-R280 PolarHBondContact OD2-NH2 3.43Å |
| 281 | G | 85.3 | Confident | 92.1 | Very high | 85 Ų | 85 | 60.7 Ų | 60.7 | 88% | 0.876 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95 | -9.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | P279 | P279-G281 PolarHBondContact O-N 2.88Š|
| 282 | I | 89.2 | Confident | 92.2 | Very high | 27 Ų | 27 | 59.2 Ų | 59.2 | 14% | 0.138 | 32% | 0.324 | C | S | . | . | trans | -92.6 | 113.4 | 168.4 | -61 | -166.5 | 0 | 0 | 0 | 109 | P279 F284 V287 I305 I313 Y342 | P279-I282 HydrophobicContact CG-CB 4.06Å; P279-I282 HydrophobicContact CG-CD1 3.64Å; P279-I282 HydrophobicContact CG-CG1 3.84Å; P279-I282 PolarHBondContact O-N 3.36Å; I282-F284 PolarHBondContact O-N 3.49Å; I282-V287 HydrophobicContact CG2-CG2 3.67Å; I282-I305 HydrophobicContact CG2-CD1 3.97Å; I282-I305 HydrophobicContact CG2-CG2 4.42Å; I282-I313 HydrophobicContact CD1-CD1 3.64Å; I282-I313 HydrophobicContact CD1-CG2 4.19Å; I282-Y342 HydrophobicContact CD1-CD1 4.12Å; I282-Y342 HydrophobicContact CG1-CD1 4.23Å; I282-Y342 HydrophobicContact CG2-CD1 4.13Å; I282-Y342 HydrophobicContact CG2-CE1 4.38Å | ||
| 283 | D | 91.2 | Very high | 92.4 | Very high | 95 Ų | 95 | 61.5 Ų | 61.5 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | trans | -81.5 | 115 | 170.3 | -173 | -25.8 | 0 | 0 | 0 | 109.4 | T285 E286 V287 | D283-T285 VanDerWaalsContact C-N 3.27Å; D283-T285 PolarHBondContact O-N 3.3Å; D283-T285 WeakPolarHBondContact OD1-CB 3.48Å; D283-T285 PolarHBondContact OD1-N 2.89Å; D283-E286 HydrophobicContact CB-CB 3.79Å; D283-E286 PolarHBondContact O-N 2.94Å; D283-E286 PolarHBondContact OD1-N 2.95Å; D283-V287 WeakPolarHBondContact O-CG2 3.35Å; D283-V287 PolarHBondContact O-N 3.16Å; D283-V287 VanDerWaalsContact O-N 3.07Å | ||
| 284 | F | 92.4 | Very high | 92.6 | Very high | 46 Ų | 46 | 62 Ų | 62 | 20% | 0.202 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.2 | -41.8 | 177.6 | -177.8 | -90.6 | 0 | 0 | 0 | 112.4 | I282 V287 I288 L303 I305 P366 P367 | I282-F284 PolarHBondContact O-N 3.49Å; F284-V287 PolarHBondContact O-N 2.93Å; F284-I288 HydrophobicContact CD1-CD1 3.93Å; F284-I288 HydrophobicContact CD1-CG1 4.47Å; F284-I288 HydrophobicContact CE1-CD1 3.29Å; F284-I288 HydrophobicContact CE1-CG1 4.14Å; F284-I288 HydrophobicContact CZ-CD1 3.89Å; F284-I288 PolarHBondContact O-N 2.88Å; F284-I288 VanDerWaalsContact O-N 3.11Å; F284-L303 HydrophobicContact CD2-CD2 4.01Å; F284-L303 HydrophobicContact CD2-CG 4.32Å; F284-L303 HydrophobicContact CE1-CD2 4.45Å; F284-L303 HydrophobicContact CE2-CB 4.01Å; F284-L303 HydrophobicContact CE2-CD2 3.71Å; F284-L303 HydrophobicContact CE2-CG 3.68Å; F284-L303 VanDerWaalsContact CE2-O 3.27Å; F284-L303 WeakPolarHBondContact CE2-O 3.24Å; F284-L303 HydrophobicContact CG-CD2 4.49Å; F284-L303 HydrophobicContact CZ-CB 3.95Å; F284-L303 HydrophobicContact CZ-CD2 3.95Å; F284-L303 HydrophobicContact CZ-CG 4.08Å; F284-I305 HydrophobicContact CD2-CD1 4.12Å; F284-I305 HydrophobicContact CD2-CG1 4.45Å; F284-P366 HydrophobicContact CE1-CB 3.99Å; F284-P367 HydrophobicContact CE1-CG 3.93Å; F284-P367 HydrophobicContact CE2-CG 4.48Å; F284-P367 HydrophobicContact CZ-CG 3.84Å |
| 285 | T | 92.3 | Very high | 92.7 | Very high | 98 Ų | 98 | 65.1 Ų | 65.1 | 60% | 0.601 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.2 | -37.5 | -179.7 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | D283 V287 I288 R289 | D283-T285 VanDerWaalsContact C-N 3.27Å; D283-T285 PolarHBondContact O-N 3.3Å; D283-T285 WeakPolarHBondContact OD1-CB 3.48Å; D283-T285 PolarHBondContact OD1-N 2.89Å; T285-V287 VanDerWaalsContact C-N 3.34Å; T285-I288 PolarHBondContact O-N 3.34Å; T285-R289 WeakPolarHBondContact O-CB 3.4Å; T285-R289 PolarHBondContact O-N 3.31Å |
| 286 | E | 94.2 | Very high | 92.6 | Very high | 62 Ų | 62 | 58.7 Ų | 58.7 | 29% | 0.29 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 176.1 | -177.5 | 61 | -174.3 | 0 | 0 | 111.8 | D283 R289 K290 | D283-E286 HydrophobicContact CB-CB 3.79Å; D283-E286 PolarHBondContact O-N 2.94Å; D283-E286 PolarHBondContact OD1-N 2.95Å; E286-R289 PolarHBondContact O-N 3.16Å; E286-R289 IonicContact OE1-CZ 2.62Å; E286-R289 IonicContact OE1-NE 2.91Å; E286-R289 IonicContact OE1-NH2 3.61Å; E286-R289 PolarHBondContact OE1-NH2 2.98Å; E286-R289 IonicContact OE2-CZ 3.87Å; E286-R289 IonicContact OE2-NE 2.88Å; E286-R289 PolarHBondContact OE2-NE 2.91Å; E286-R289 IonicContact OE2-NH2 2.94Å; E286-R289 PolarHBondContact OE2-NH2 2.84Å; E286-K290 WeakPolarHBondContact O-CG 3.4Å; E286-K290 PolarHBondContact O-N 3.44Å; E286-K290 WeakPolarHBondContact OE1-CE 3.44Å; E286-K290 IonicContact OE1-NZ 3.95Å |
| 287 | V | 95.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 174.9 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | I282 D283 F284 T285 R289 K290 L291 L303 I305 L338 Y342 | I282-V287 HydrophobicContact CG2-CG2 3.67Å; D283-V287 WeakPolarHBondContact O-CG2 3.35Å; D283-V287 PolarHBondContact O-N 3.16Å; D283-V287 VanDerWaalsContact O-N 3.07Å; F284-V287 PolarHBondContact O-N 2.93Å; T285-V287 VanDerWaalsContact C-N 3.34Å; V287-R289 VanDerWaalsContact C-N 3.32Å; V287-R289 PolarHBondContact O-N 2.99Å; V287-K290 PolarHBondContact O-N 3.36Å; V287-L291 HydrophobicContact CG1-CD1 3.85Å; V287-L291 HydrophobicContact CG1-CG 4.38Å; V287-L291 WeakPolarHBondContact O-CB 3.24Å; V287-L291 WeakPolarHBondContact O-CG 3.19Å; V287-L291 PolarHBondContact O-N 2.78Å; V287-L303 HydrophobicContact CB-CD2 4.12Å; V287-L303 HydrophobicContact CG1-CD1 4.18Å; V287-L303 HydrophobicContact CG1-CD2 3.82Å; V287-I305 HydrophobicContact CB-CD1 4.06Å; V287-I305 HydrophobicContact CG1-CD1 4.1Å; V287-I305 HydrophobicContact CG2-CD1 3.87Å; V287-L338 HydrophobicContact CG1-CD2 4.03Å; V287-Y342 HydrophobicContact CG2-CD1 4.01Å; V287-Y342 HydrophobicContact CG2-CD2 4.49Å; V287-Y342 HydrophobicContact CG2-CE1 3.54Å; V287-Y342 HydrophobicContact CG2-CE2 4.09Å; V287-Y342 HydrophobicContact CG2-CG 4.45Å |
| 288 | I | 94.8 | Very high | 92.8 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 22% | 0.221 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.8 | -48.3 | 174.5 | -72.7 | -174.7 | 0 | 0 | 0 | 110.7 | F284 T285 K290 L291 G292 V300 L303 P366 | F284-I288 HydrophobicContact CD1-CD1 3.93Å; F284-I288 HydrophobicContact CD1-CG1 4.47Å; F284-I288 HydrophobicContact CE1-CD1 3.29Å; F284-I288 HydrophobicContact CE1-CG1 4.14Å; F284-I288 HydrophobicContact CZ-CD1 3.89Å; F284-I288 PolarHBondContact O-N 2.88Å; F284-I288 VanDerWaalsContact O-N 3.11Å; T285-I288 PolarHBondContact O-N 3.34Å; I288-K290 PolarHBondContact O-N 2.95Å; I288-L291 PolarHBondContact O-N 3.34Å; I288-G292 PolarHBondContact O-N 2.96Å; I288-V300 HydrophobicContact CG1-CG1 4.48Å; I288-V300 HydrophobicContact CG2-CB 4.41Å; I288-L303 HydrophobicContact CD1-CD2 4.17Å; I288-L303 HydrophobicContact CG1-CB 4.47Å; I288-L303 HydrophobicContact CG1-CD2 3.38Å; I288-P366 HydrophobicContact CD1-CB 3.84Å |
| 289 | R | 95.2 | Very high | 92.9 | Very high | 112 Ų | 112 | 54.8 Ų | 54.8 | 42% | 0.423 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -50.7 | -178.1 | -168.4 | -168.2 | 66.6 | 66.3 | 5.5 | 110.8 | T285 E286 V287 L291 G292 D293 | T285-R289 WeakPolarHBondContact O-CB 3.4Å; T285-R289 PolarHBondContact O-N 3.31Å; E286-R289 PolarHBondContact O-N 3.16Å; E286-R289 IonicContact OE1-CZ 2.62Å; E286-R289 IonicContact OE1-NE 2.91Å; E286-R289 IonicContact OE1-NH2 3.61Å; E286-R289 PolarHBondContact OE1-NH2 2.98Å; E286-R289 IonicContact OE2-CZ 3.87Å; E286-R289 IonicContact OE2-NE 2.88Å; E286-R289 PolarHBondContact OE2-NE 2.91Å; E286-R289 IonicContact OE2-NH2 2.94Å; E286-R289 PolarHBondContact OE2-NH2 2.84Å; V287-R289 VanDerWaalsContact C-N 3.32Å; V287-R289 PolarHBondContact O-N 2.99Å; R289-L291 PolarHBondContact O-N 3.47Å; R289-G292 PolarHBondContact O-N 3.39Å; R289-G292 VanDerWaalsContact O-N 3.16Å; R289-D293 IonicContact CZ-OD2 3.46Å; R289-D293 IonicContact NH1-OD2 3.16Å; R289-D293 PolarHBondContact NH1-OD2 3.05Å; R289-D293 VanDerWaalsContact O-CG 3.23Å; R289-D293 PolarHBondContact O-N 2.95Å |
| 290 | K | 96.8 | Very high | 93.2 | Very high | 47 Ų | 47 | 54.7 Ų | 54.7 | 20% | 0.204 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.7 | -35.4 | -179.7 | -73.8 | -162.2 | -165.4 | 166.7 | 0 | 114 | E286 V287 I288 L337 Q341 Y342 | E286-K290 WeakPolarHBondContact O-CG 3.4Å; E286-K290 PolarHBondContact O-N 3.44Å; E286-K290 WeakPolarHBondContact OE1-CE 3.44Å; E286-K290 IonicContact OE1-NZ 3.95Å; V287-K290 PolarHBondContact O-N 3.36Å; I288-K290 PolarHBondContact O-N 2.95Å; K290-L337 HydrophobicContact CB-CD1 4.1Å; K290-L337 HydrophobicContact CB-CD2 4.24Å; K290-Q341 VanDerWaalsContact CD-OE1 3.25Å; K290-Y342 HydrophobicContact CD-CE2 4.25Å; K290-Y342 VanDerWaalsContact CD-OH 3.32Å; K290-Y342 WeakPolarHBondContact CD-OH 3.41Å; K290-Y342 WeakPolarHBondContact CE-OH 3.24Å; K290-Y342 PolarHBondContact NZ-OH 3.3Å |
| 291 | L | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.1 | -36.1 | 173.2 | -72.5 | 173.3 | 0 | 0 | 0 | 111.6 | V287 I288 R289 D293 I294 V300 L303 V317 L319 A334 L337 L338 | V287-L291 HydrophobicContact CG1-CD1 3.85Å; V287-L291 HydrophobicContact CG1-CG 4.38Å; V287-L291 WeakPolarHBondContact O-CB 3.24Å; V287-L291 WeakPolarHBondContact O-CG 3.19Å; V287-L291 PolarHBondContact O-N 2.78Å; I288-L291 PolarHBondContact O-N 3.34Å; R289-L291 PolarHBondContact O-N 3.47Å; L291-D293 VanDerWaalsContact C-N 3.34Å; L291-I294 HydrophobicContact CD2-CD1 3.96Å; L291-I294 WeakPolarHBondContact O-CB 3.29Å; L291-I294 WeakPolarHBondContact O-CG1 3.27Å; L291-I294 PolarHBondContact O-N 3.29Å; L291-V300 HydrophobicContact CB-CG1 4.34Å; L291-V300 HydrophobicContact CB-CG2 3.8Å; L291-V300 HydrophobicContact CD1-CG1 4.24Å; L291-L303 HydrophobicContact CD1-CD1 4.43Å; L291-V317 HydrophobicContact CD1-CG1 4.25Å; L291-V317 HydrophobicContact CD1-CG2 4.01Å; L291-L319 HydrophobicContact CB-CD2 4.26Å; L291-A334 HydrophobicContact CD2-CB 3.99Å; L291-L337 HydrophobicContact CD2-CD2 4.37Å; L291-L338 HydrophobicContact CD2-CG 4.36Å |
| 292 | G | 95.3 | Very high | 94 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 35% | 0.351 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.7 | -28.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | I288 R289 I294 | I288-G292 PolarHBondContact O-N 2.96Å; R289-G292 PolarHBondContact O-N 3.39Å; R289-G292 VanDerWaalsContact O-N 3.16Å; G292-I294 PolarHBondContact O-N 3.28Å |
| 293 | D | 96.6 | Very high | 94.2 | Very high | 101 Ų | 101 | 46.8 Ų | 46.8 | 54% | 0.54 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.9 | 175.3 | -67.3 | -20.6 | 0 | 0 | 0 | 113 | R289 L291 N295 | R289-D293 IonicContact CZ-OD2 3.46Å; R289-D293 IonicContact NH1-OD2 3.16Å; R289-D293 PolarHBondContact NH1-OD2 3.05Å; R289-D293 VanDerWaalsContact O-CG 3.23Å; R289-D293 PolarHBondContact O-N 2.95Å; L291-D293 VanDerWaalsContact C-N 3.34Å; D293-N295 PolarHBondContact O-N 2.9Å |
| 294 | I | 96 | Very high | 94.4 | Very high | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.077 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -69.4 | 122.3 | 176.6 | -62 | 173.8 | 0 | 0 | 0 | 109 | L291 G292 G296 V297 V330 K333 A334 L337 | L291-I294 HydrophobicContact CD2-CD1 3.96Å; L291-I294 WeakPolarHBondContact O-CB 3.29Å; L291-I294 WeakPolarHBondContact O-CG1 3.27Å; L291-I294 PolarHBondContact O-N 3.29Å; G292-I294 PolarHBondContact O-N 3.28Å; I294-G296 PolarHBondContact O-N 3.11Å; I294-G296 VanDerWaalsContact O-N 3.15Å; I294-V297 HydrophobicContact CB-CG2 3.82Å; I294-V297 HydrophobicContact CG2-CG2 4.05Å; I294-V297 WeakPolarHBondContact O-CB 3.28Å; I294-V297 PolarHBondContact O-N 3.49Å; I294-V330 HydrophobicContact CG2-CG1 4.29Å; I294-K333 HydrophobicContact CG2-CB 4.04Å; I294-K333 HydrophobicContact CG2-CD 4.16Å; I294-A334 HydrophobicContact CD1-CB 3.79Å; I294-L337 HydrophobicContact CD1-CD1 4.4Å; I294-L337 HydrophobicContact CG1-CD1 4.46Å |
| 295 | N | 94.2 | Very high | 94.5 | Very high | 124 Ų | 124 | 47.4 Ų | 47.4 | 66% | 0.663 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 123.3 | 176.1 | -71 | -35.5 | 0 | 0 | 0 | 111.4 | D293 | D293-N295 PolarHBondContact O-N 2.9Š|
| 296 | G | 93.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 44.9 Ų | 44.9 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | -13.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I294 I321 Y322 | I294-G296 PolarHBondContact O-N 3.11Å; I294-G296 VanDerWaalsContact O-N 3.15Å; G296-I321 VanDerWaalsContact O-CA 3.24Å; G296-I321 WeakPolarHBondContact O-CA 3.4Å; G296-I321 WeakPolarHBondContact O-CB 3.44Å; G296-Y322 WeakPolarHBondContact O-CD2 3.26Å; G296-Y322 PolarHBondContact O-N 3.02Å |
| 297 | V | 95.7 | Very high | 94.5 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 7% | 0.073 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 121.1 | 172.8 | 179 | 0 | 0 | 0 | 0 | 109.4 | I294 V300 L319 I321 V330 | I294-V297 HydrophobicContact CB-CG2 3.82Å; I294-V297 HydrophobicContact CG2-CG2 4.05Å; I294-V297 WeakPolarHBondContact O-CB 3.28Å; I294-V297 PolarHBondContact O-N 3.49Å; V297-V300 HydrophobicContact CG1-CG2 3.96Å; V297-L319 HydrophobicContact CG1-CD2 4.4Å; V297-L319 HydrophobicContact CG2-CD1 4.4Å; V297-I321 HydrophobicContact CG2-CG2 4.39Å; V297-V330 HydrophobicContact CG2-CG1 3.69Å |
| 298 | A | 93.3 | Very high | 94.1 | Very high | 31 Ų | 31 | 42.3 Ų | 42.3 | 26% | 0.256 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -36.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A320 Y322 F354 | A298-A320 WeakPolarHBondContact CA-O 3.43Å; A298-A320 WeakPolarHBondContact CB-O 3.47Å; A298-A320 PolarHBondContact N-O 2.62Å; A298-Y322 HydrophobicContact CB-CD1 4.04Å; A298-Y322 HydrophobicContact CB-CD2 4.32Å; A298-Y322 HydrophobicContact CB-CE1 3.64Å; A298-Y322 HydrophobicContact CB-CE2 3.95Å; A298-Y322 HydrophobicContact CB-CG 4.37Å; A298-F354 HydrophobicContact CB-CB 3.85Å; A298-F354 HydrophobicContact CB-CD2 3.77Å; A298-F354 HydrophobicContact CB-CG 3.81Å |
| 299 | K | 92.4 | Very high | 93.7 | Very high | 50 Ų | 50 | 40.3 Ų | 40.3 | 22% | 0.217 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 145.3 | -179.9 | -168.3 | 169.4 | -180 | 171.2 | 0 | 111.7 | A320 F354 M358 | K299-A320 HydrophobicContact CB-CB 4.11Å; K299-A320 PolarHBondContact N-O 3.02Å; K299-A320 PolarHBondContact O-N 3.11Å; K299-F354 HydrophobicContact CB-CD2 4.38Å; K299-F354 HydrophobicContact CB-CE2 4.39Å; K299-M358 HydrophobicContact CD-CB 4.46Å; K299-M358 PolarHBondContact NZ-O 2.94Å |
| 300 | V | 94.2 | Very high | 93 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.8 | 171.4 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | I288 L291 V297 V317 L319 | I288-V300 HydrophobicContact CG1-CG1 4.48Å; I288-V300 HydrophobicContact CG2-CB 4.41Å; L291-V300 HydrophobicContact CB-CG1 4.34Å; L291-V300 HydrophobicContact CB-CG2 3.8Å; L291-V300 HydrophobicContact CD1-CG1 4.24Å; V297-V300 HydrophobicContact CG1-CG2 3.96Å; V300-V317 HydrophobicContact CG1-CG2 3.57Å; V300-L319 HydrophobicContact CB-CD2 4.3Å; V300-L319 HydrophobicContact CG1-CD2 4.01Å; V300-L319 HydrophobicContact CG2-CD2 3.81Å |
| 301 | H | 92 | Very high | 92.3 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 6% | 0.06 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 169.7 | 177.2 | 57 | 88.6 | 0 | 0 | 0 | 112.2 | L303 H318 E352 C364 | H301-L303 PolarHBondContact O-N 3.21Å; H301-H318 WeakPolarHBondContact CE1-CB 3.36Å; H301-H318 AromaticContact CE1-CG 3.98Å; H301-H318 AromaticContact CE1-ND1 3.94Å; H301-H318 PolarHBondContact N-O 3.13Å; H301-H318 WeakPolarHBondContact ND1-CB 3.43Å; H301-H318 WeakPolarHBondContact O-CB 3.34Å; H301-H318 PolarHBondContact O-N 3.24Å; H301-E352 IonicContact CE1-OE1 3.36Å; H301-E352 PolarHBondContact CE1-OE1 3.01Å; H301-E352 IonicContact NE2-OE1 2.71Å; H301-E352 PolarHBondContact NE2-OE1 2.89Å; H301-E352 VanDerWaalsContact NE2-OE1 3.16Å; H301-C364 HydrophobicContact CB-CB 3.85Å |
| 302 | D | 92 | Very high | 91.9 | Very high | 59 Ų | 59 | 42.7 Ų | 42.7 | 32% | 0.316 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 45.3 | 37.1 | -173.3 | -161.3 | 29 | 0 | 0 | 0 | 113.1 | R304 H318 | D302-R304 PolarHBondContact O-N 2.77Å; D302-R304 IonicContact OD1-CZ 3.03Å; D302-R304 IonicContact OD1-NE 3.49Å; D302-R304 PolarHBondContact OD1-NE 2.9Å; D302-R304 IonicContact OD1-NH2 3.62Å; D302-R304 PolarHBondContact OD1-NH2 3.41Å; D302-R304 IonicContact OD2-NE 2.79Å; D302-R304 IonicContact OD2-NH2 3.83Å; D302-H318 IonicContact OD2-NE2 3.83Å |
| 303 | L | 94.4 | Very high | 91.7 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.068 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 122.3 | 172.8 | 175.7 | 64.6 | 0 | 0 | 0 | 108.4 | F284 V287 I288 L291 H301 I305 V315 S316 V317 | F284-L303 HydrophobicContact CD2-CD2 4.01Å; F284-L303 HydrophobicContact CD2-CG 4.32Å; F284-L303 HydrophobicContact CE1-CD2 4.45Å; F284-L303 HydrophobicContact CE2-CB 4.01Å; F284-L303 HydrophobicContact CE2-CD2 3.71Å; F284-L303 HydrophobicContact CE2-CG 3.68Å; F284-L303 VanDerWaalsContact CE2-O 3.27Å; F284-L303 WeakPolarHBondContact CE2-O 3.24Å; F284-L303 HydrophobicContact CG-CD2 4.49Å; F284-L303 HydrophobicContact CZ-CB 3.95Å; F284-L303 HydrophobicContact CZ-CD2 3.95Å; F284-L303 HydrophobicContact CZ-CG 4.08Å; V287-L303 HydrophobicContact CB-CD2 4.12Å; V287-L303 HydrophobicContact CG1-CD1 4.18Å; V287-L303 HydrophobicContact CG1-CD2 3.82Å; I288-L303 HydrophobicContact CD1-CD2 4.17Å; I288-L303 HydrophobicContact CG1-CB 4.47Å; I288-L303 HydrophobicContact CG1-CD2 3.38Å; L291-L303 HydrophobicContact CD1-CD1 4.43Å; H301-L303 PolarHBondContact O-N 3.21Å; L303-I305 HydrophobicContact CD1-CD1 4.31Å; L303-I305 HydrophobicContact CD1-CG1 3.92Å; L303-I305 HydrophobicContact CD2-CD1 4.1Å; L303-I305 HydrophobicContact CD2-CG1 4.42Å; L303-I305 HydrophobicContact CG-CD1 4.29Å; L303-I305 HydrophobicContact CG-CG1 4.05Å; L303-V315 HydrophobicContact CD1-CG1 3.77Å; L303-S316 CarbonylContact C-O 3.57Å; L303-S316 WeakPolarHBondContact CA-O 3.22Å; L303-V317 HydrophobicContact CB-CG2 4.03Å; L303-V317 HydrophobicContact CD1-CB 3.78Å; L303-V317 HydrophobicContact CD1-CG2 3.88Å |
| 304 | R | 94.6 | Very high | 91.6 | Very high | 141 Ų | 141 | 37.5 Ų | 37.5 | 53% | 0.532 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.2 | 173.1 | -58.6 | -175.4 | -170.9 | -161.5 | 4.4 | 108.1 | D302 W306 V315 S316 | D302-R304 PolarHBondContact O-N 2.77Å; D302-R304 IonicContact OD1-CZ 3.03Å; D302-R304 IonicContact OD1-NE 3.49Å; D302-R304 PolarHBondContact OD1-NE 2.9Å; D302-R304 IonicContact OD1-NH2 3.62Å; D302-R304 PolarHBondContact OD1-NH2 3.41Å; D302-R304 IonicContact OD2-NE 2.79Å; D302-R304 IonicContact OD2-NH2 3.83Å; R304-W306 HydrophobicContact CB-CE3 3.93Å; R304-W306 HydrophobicContact CB-CZ3 3.78Å; R304-V315 CarbonylContact O-C 3.57Å; R304-V315 VanDerWaalsContact O-CA 3.28Å; R304-V315 WeakPolarHBondContact O-CA 3.22Å; R304-S316 PolarHBondContact N-O 3.46Å; R304-S316 PolarHBondContact O-N 2.74Å |
| 305 | I | 95.1 | Very high | 91.6 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 121.3 | 177.2 | -52.1 | 177.2 | 0 | 0 | 0 | 105.9 | P279 I282 F284 V287 L303 I313 V315 | P279-I305 HydrophobicContact CG-CG2 4.36Å; I282-I305 HydrophobicContact CG2-CD1 3.97Å; I282-I305 HydrophobicContact CG2-CG2 4.42Å; F284-I305 HydrophobicContact CD2-CD1 4.12Å; F284-I305 HydrophobicContact CD2-CG1 4.45Å; V287-I305 HydrophobicContact CB-CD1 4.06Å; V287-I305 HydrophobicContact CG1-CD1 4.1Å; V287-I305 HydrophobicContact CG2-CD1 3.87Å; L303-I305 HydrophobicContact CD1-CD1 4.31Å; L303-I305 HydrophobicContact CD1-CG1 3.92Å; L303-I305 HydrophobicContact CD2-CD1 4.1Å; L303-I305 HydrophobicContact CD2-CG1 4.42Å; L303-I305 HydrophobicContact CG-CD1 4.29Å; L303-I305 HydrophobicContact CG-CG1 4.05Å; I305-I313 HydrophobicContact CG2-CG2 4.05Å; I305-V315 HydrophobicContact CB-CG2 4.47Å; I305-V315 HydrophobicContact CG1-CG1 4.48Å; I305-V315 HydrophobicContact CG1-CG2 4.17Å; I305-V315 HydrophobicContact CG2-CG2 4.11Å |
| 306 | W | 94.5 | Very high | 91.6 | Very high | 45 Ų | 45 | 32.3 Ų | 32.3 | 17% | 0.17 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 160.5 | 179.7 | 68.1 | 99.3 | 0 | 0 | 0 | 111.5 | E276 R304 A314 | E276-W306 HydrophobicContact CB-CB 4.08Å; E276-W306 WeakPolarHBondContact O-CB 3.35Å; R304-W306 HydrophobicContact CB-CE3 3.93Å; R304-W306 HydrophobicContact CB-CZ3 3.78Å; W306-A314 HydrophobicContact CD2-CB 3.92Å; W306-A314 HydrophobicContact CG-CB 4.39Å; W306-A314 HydrophobicContact CH2-CB 4.13Å; W306-A314 HydrophobicContact CZ2-CB 3.49Å; W306-A314 VanDerWaalsContact CZ2-CB 3.49Å; W306-A314 PolarHBondContact N-O 3.48Å; W306-A314 PolarHBondContact O-N 3.43Å |
| 307 | S | 91 | Very high | 91.8 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125.1 | 178.3 | -50 | 0 | 0 | 0 | 0 | 110 | G277 P279 | G277-S307 PolarHBondContact O-N 2.94Å; G277-S307 PolarHBondContact O-OG 3.01Å; P279-S307 WeakPolarHBondContact CA-OG 3.39Å; P279-S307 WeakPolarHBondContact CB-OG 3.33Å |
| 308 | L | 87.4 | Confident | 91.8 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -81.1 | -39.6 | 169.6 | -76 | 155.4 | 0 | 0 | 0 | 111 | F125 K312 A314 F345 | F125-L308 HydrophobicContact CB-CD2 4.06Å; F125-L308 HydrophobicContact CD1-CD1 4.27Å; F125-L308 HydrophobicContact CD1-CD2 4.01Å; F125-L308 HydrophobicContact CD2-CD2 4.27Å; F125-L308 HydrophobicContact CG-CD2 3.86Å; L308-K312 HydrophobicContact CB-CB 3.98Å; L308-K312 PolarHBondContact N-O 2.99Å; L308-A314 HydrophobicContact CD1-CB 3.8Å; L308-A314 HydrophobicContact CG-CB 4.26Å; L308-F345 HydrophobicContact CD1-CD1 4.34Å |
| 309 | T | 85.9 | Confident | 91.9 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -142.4 | -176.2 | 171.3 | 71.6 | 0 | 0 | 0 | 0 | 108.8 | H128 D311 K312 | H128-T309 HydrophobicContact CB-CG2 3.7Å; H128-T309 VanDerWaalsContact O-CG2 3.23Å; H128-T309 WeakPolarHBondContact O-CG2 3.08Å; T309-D311 PolarHBondContact O-N 3.06Å; T309-D311 PolarHBondContact OG1-N 2.97Å; T309-K312 HydrophobicContact CG2-CD 4.36Å; T309-K312 WeakPolarHBondContact OG1-CB 3.37Å; T309-K312 PolarHBondContact OG1-N 3.3Å |
| 310 | M | 82 | Confident | 92 | Very high | 96 Ų | 96 | 28.9 Ų | 28.9 | 47% | 0.473 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -59.7 | -26.7 | 174.6 | -61.9 | -56.3 | -147.5 | 0 | 0 | 113.4 | D269 V270 V273 | D269-M310 HydrophobicContact CB-CE 3.62Å; D269-M310 HydrophobicContact CB-SD 4.35Å; V270-M310 HydrophobicContact CG2-CE 4.38Å; V273-M310 HydrophobicContact CG2-SD 3.91Å |
| 311 | D | 82.3 | Confident | 92.1 | Very high | 80 Ų | 80 | 28.2 Ų | 28.2 | 43% | 0.428 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -113 | -7.4 | -173.4 | -80.3 | -0.9 | 0 | 0 | 0 | 113.6 | R211 T309 | R211-D311 IonicContact NE-OD2 3.93Å; R211-D311 PolarHBondContact NE-OD2 2.78Å; R211-D311 IonicContact NH2-OD2 3.05Å; T309-D311 PolarHBondContact O-N 3.06Å; T309-D311 PolarHBondContact OG1-N 2.97Å |
| 312 | K | 87.3 | Confident | 92.2 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 15% | 0.148 | 15% | 0.154 | C | C | . | . | trans | -116.8 | 107.6 | -173.5 | -70.7 | 179.3 | 177.6 | 171.3 | 0 | 110.5 | H128 L308 T309 F345 | H128-K312 PolarHBondContact CD2-NZ 3.15Å; H128-K312 VanDerWaalsContact CD2-NZ 3.29Å; H128-K312 PolarHBondContact CE1-NZ 2.87Å; H128-K312 VanDerWaalsContact CG-NZ 3.32Å; H128-K312 PolarHBondContact ND1-NZ 2.94Å; H128-K312 PolarHBondContact NE2-NZ 2.88Å; L308-K312 HydrophobicContact CB-CB 3.98Å; L308-K312 PolarHBondContact N-O 2.99Å; T309-K312 HydrophobicContact CG2-CD 4.36Å; T309-K312 WeakPolarHBondContact OG1-CB 3.37Å; T309-K312 PolarHBondContact OG1-N 3.3Å; K312-F345 HydrophobicContact CB-CB 4.16Å; K312-F345 HydrophobicContact CB-CD1 4.1Å; K312-F345 HydrophobicContact CB-CG 4.13Å; K312-F345 HydrophobicContact CD-CD1 3.95Å; K312-F345 HydrophobicContact CD-CD2 4.49Å; K312-F345 HydrophobicContact CD-CE1 3.94Å; K312-F345 HydrophobicContact CD-CE2 4.46Å; K312-F345 HydrophobicContact CD-CG 4.26Å; K312-F345 HydrophobicContact CD-CZ 4.21Å; K312-F345 HydrophobicContact CG-CB 4.31Å; K312-F345 HydrophobicContact CG-CD1 4.01Å; K312-F345 HydrophobicContact CG-CD2 4.2Å; K312-F345 HydrophobicContact CG-CE1 4.47Å; K312-F345 HydrophobicContact CG-CG 3.9Å | ||
| 313 | I | 92 | Very high | 92.1 | Very high | 24 Ų | 24 | 40 Ų | 40 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 134.4 | 179.9 | -57.4 | 162 | 0 | 0 | 0 | 108.3 | P279 I282 I305 V315 V344 F345 E346 | P279-I313 HydrophobicContact CB-CD1 4.35Å; P279-I313 HydrophobicContact CB-CG1 4.17Å; P279-I313 HydrophobicContact CG-CD1 4Å; P279-I313 HydrophobicContact CG-CG1 3.88Å; P279-I313 HydrophobicContact CG-CG2 4.09Å; I282-I313 HydrophobicContact CD1-CD1 3.64Å; I282-I313 HydrophobicContact CD1-CG2 4.19Å; I305-I313 HydrophobicContact CG2-CG2 4.05Å; I313-V315 HydrophobicContact CG2-CG2 4.32Å; I313-V344 HydrophobicContact CG2-CG2 4.26Å; I313-F345 WeakPolarHBondContact O-CA 3.44Å; I313-F345 WeakPolarHBondContact O-CB 3.03Å; I313-F345 PolarHBondContact O-N 3.11Å; I313-E346 PolarHBondContact O-N 3.14Å |
| 314 | A | 93.3 | Very high | 92 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | W306 L308 E346 | W306-A314 HydrophobicContact CD2-CB 3.92Å; W306-A314 HydrophobicContact CG-CB 4.39Å; W306-A314 HydrophobicContact CH2-CB 4.13Å; W306-A314 HydrophobicContact CZ2-CB 3.49Å; W306-A314 VanDerWaalsContact CZ2-CB 3.49Å; W306-A314 PolarHBondContact N-O 3.48Å; W306-A314 PolarHBondContact O-N 3.43Å; L308-A314 HydrophobicContact CD1-CB 3.8Å; L308-A314 HydrophobicContact CG-CB 4.26Å; A314-E346 CarbonylContact C-O 3.54Å; A314-E346 VanDerWaalsContact CA-O 3.22Å; A314-E346 WeakPolarHBondContact CA-O 3.48Å; A314-E346 HydrophobicContact CB-CB 4.32Å |
| 315 | V | 96 | Very high | 91.8 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 136.2 | -180 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | L303 R304 I305 I313 L338 V344 E346 C347 T348 | L303-V315 HydrophobicContact CD1-CG1 3.77Å; R304-V315 CarbonylContact O-C 3.57Å; R304-V315 VanDerWaalsContact O-CA 3.28Å; R304-V315 WeakPolarHBondContact O-CA 3.22Å; I305-V315 HydrophobicContact CB-CG2 4.47Å; I305-V315 HydrophobicContact CG1-CG1 4.48Å; I305-V315 HydrophobicContact CG1-CG2 4.17Å; I305-V315 HydrophobicContact CG2-CG2 4.11Å; I313-V315 HydrophobicContact CG2-CG2 4.32Å; V315-L338 HydrophobicContact CB-CD1 4.49Å; V315-L338 HydrophobicContact CG1-CD1 4.02Å; V315-L338 HydrophobicContact CG1-CD2 4.3Å; V315-V344 HydrophobicContact CB-CG1 4.07Å; V315-V344 HydrophobicContact CB-CG2 4.43Å; V315-V344 HydrophobicContact CG2-CB 4.4Å; V315-V344 HydrophobicContact CG2-CG1 3.87Å; V315-V344 HydrophobicContact CG2-CG2 3.55Å; V315-E346 PolarHBondContact N-O 3.49Å; V315-C347 CarbonylContact O-C 3.54Å; V315-C347 VanDerWaalsContact O-CA 3.26Å; V315-C347 WeakPolarHBondContact O-CA 3.06Å; V315-T348 PolarHBondContact O-N 3.34Å |
| 316 | S | 95.9 | Very high | 91.7 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 19% | 0.189 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 133.3 | 166.9 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | L303 R304 T348 | L303-S316 CarbonylContact C-O 3.57Å; L303-S316 WeakPolarHBondContact CA-O 3.22Å; R304-S316 PolarHBondContact N-O 3.46Å; R304-S316 PolarHBondContact O-N 2.74Å; S316-T348 CarbonylContact C-O 3.56Å; S316-T348 VanDerWaalsContact CA-O 3.32Å; S316-T348 WeakPolarHBondContact CA-O 3.36Å |
| 317 | V | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 147.9 | -178.6 | 65.2 | 0 | 0 | 0 | 0 | 111.5 | L291 V300 L303 L319 T348 V349 Q350 | L291-V317 HydrophobicContact CD1-CG1 4.25Å; L291-V317 HydrophobicContact CD1-CG2 4.01Å; V300-V317 HydrophobicContact CG1-CG2 3.57Å; L303-V317 HydrophobicContact CB-CG2 4.03Å; L303-V317 HydrophobicContact CD1-CB 3.78Å; L303-V317 HydrophobicContact CD1-CG2 3.88Å; V317-L319 HydrophobicContact CG2-CD2 4.09Å; V317-T348 PolarHBondContact N-O 3.42Å; V317-V349 HydrophobicContact CG1-CB 4.36Å; V317-V349 HydrophobicContact CG1-CG1 4.28Å; V317-V349 HydrophobicContact CG1-CG2 3.92Å; V317-V349 WeakPolarHBondContact O-CA 3.48Å; V317-Q350 PolarHBondContact O-N 3.22Å |
| 318 | H | 95.3 | Very high | 91.8 | Very high | 33 Ų | 33 | 54.1 Ų | 54.1 | 15% | 0.153 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.8 | 170.9 | -67.8 | -146.8 | 0 | 0 | 0 | 109.6 | H301 D302 Q350 E352 | H301-H318 WeakPolarHBondContact CE1-CB 3.36Å; H301-H318 AromaticContact CE1-CG 3.98Å; H301-H318 AromaticContact CE1-ND1 3.94Å; H301-H318 PolarHBondContact N-O 3.13Å; H301-H318 WeakPolarHBondContact ND1-CB 3.43Å; H301-H318 WeakPolarHBondContact O-CB 3.34Å; H301-H318 PolarHBondContact O-N 3.24Å; D302-H318 IonicContact OD2-NE2 3.83Å; H318-Q350 CarbonylContact C-O 3.56Å; H318-Q350 WeakPolarHBondContact CA-O 3.32Å; H318-Q350 PolarHBondContact CE1-NE2 2.94Å; H318-Q350 PolarHBondContact CE1-OE1 3.37Å; H318-Q350 PolarHBondContact ND1-NE2 2.78Å; H318-E352 IonicContact ND1-OE2 3.91Å |
| 319 | L | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 114.4 | 177.5 | -57.5 | -178.1 | 0 | 0 | 0 | 109.3 | L291 V297 V300 V317 V330 A334 V349 Q350 I351 E352 | L291-L319 HydrophobicContact CB-CD2 4.26Å; V297-L319 HydrophobicContact CG1-CD2 4.4Å; V297-L319 HydrophobicContact CG2-CD1 4.4Å; V300-L319 HydrophobicContact CB-CD2 4.3Å; V300-L319 HydrophobicContact CG1-CD2 4.01Å; V300-L319 HydrophobicContact CG2-CD2 3.81Å; V317-L319 HydrophobicContact CG2-CD2 4.09Å; L319-V330 HydrophobicContact CD1-CG1 4.05Å; L319-A334 HydrophobicContact CD1-CB 3.68Å; L319-V349 HydrophobicContact CD1-CG1 3.56Å; L319-V349 HydrophobicContact CG-CG1 3.94Å; L319-Q350 PolarHBondContact N-O 2.88Å; L319-I351 WeakPolarHBondContact O-CA 3.33Å; L319-E352 PolarHBondContact O-N 3.35Å |
| 320 | A | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 119.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | A298 K299 E352 F354 M358 | A298-A320 WeakPolarHBondContact CA-O 3.43Å; A298-A320 WeakPolarHBondContact CB-O 3.47Å; A298-A320 PolarHBondContact N-O 2.62Å; K299-A320 HydrophobicContact CB-CB 4.11Å; K299-A320 PolarHBondContact N-O 3.02Å; K299-A320 PolarHBondContact O-N 3.11Å; A320-E352 CarbonylContact C-O 3.51Å; A320-E352 VanDerWaalsContact CA-O 3.28Å; A320-E352 WeakPolarHBondContact CA-O 3.34Å; A320-E352 HydrophobicContact CB-CG 4.48Å; A320-F354 HydrophobicContact CB-CB 4.3Å; A320-F354 HydrophobicContact CB-CD2 4.18Å; A320-M358 HydrophobicContact CB-CE 4.34Å; A320-M358 HydrophobicContact CB-SD 3.69Å |
| 321 | I | 96.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 155.4 | -178.2 | 64.3 | 165.5 | 0 | 0 | 0 | 111.9 | G296 V297 Q325 A327 V330 I351 E352 F354 | G296-I321 VanDerWaalsContact O-CA 3.24Å; G296-I321 WeakPolarHBondContact O-CA 3.4Å; G296-I321 WeakPolarHBondContact O-CB 3.44Å; V297-I321 HydrophobicContact CG2-CG2 4.39Å; I321-Q325 HydrophobicContact CD1-CB 4.32Å; I321-A327 HydrophobicContact CD1-CB 3.94Å; I321-V330 HydrophobicContact CG2-CB 4.34Å; I321-V330 HydrophobicContact CG2-CG1 3.89Å; I321-V330 HydrophobicContact CG2-CG2 4.14Å; I321-I351 HydrophobicContact CD1-CG2 3.56Å; I321-I351 HydrophobicContact CG1-CG2 3.73Å; I321-I351 HydrophobicContact CG2-CG2 4Å; I321-E352 WeakPolarHBondContact CG1-O 3.39Å; I321-E352 PolarHBondContact N-O 3.47Å; I321-F354 PolarHBondContact O-N 3.43Å |
| 322 | Y | 94.5 | Very high | 93.8 | Very high | 122 Ų | 122 | 56.5 Ų | 56.5 | 48% | 0.478 | 27% | 0.269 | S | S | . | . | trans | -65.7 | 148.2 | 171 | -58.9 | -72.5 | 0 | 0 | 0 | 111 | G296 A298 E324 Q325 | G296-Y322 WeakPolarHBondContact O-CD2 3.26Å; G296-Y322 PolarHBondContact O-N 3.02Å; A298-Y322 HydrophobicContact CB-CD1 4.04Å; A298-Y322 HydrophobicContact CB-CD2 4.32Å; A298-Y322 HydrophobicContact CB-CE1 3.64Å; A298-Y322 HydrophobicContact CB-CE2 3.95Å; A298-Y322 HydrophobicContact CB-CG 4.37Å; Y322-E324 PolarHBondContact O-N 2.93Å; Y322-E324 VanDerWaalsContact O-N 3.14Å; Y322-Q325 WeakPolarHBondContact O-CB 3.32Å; Y322-Q325 PolarHBondContact O-N 2.92Å; Y322-Q325 VanDerWaalsContact O-N 3.11Å | ||
| 323 | R | 90.3 | Very high | 94.2 | Very high | 198 Ų | 198 | 58.8 Ų | 58.8 | 75% | 0.747 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30 | -174.1 | -71.2 | -173.9 | 175.9 | -171.1 | -1.2 | 114.3 | Q325 | R323-Q325 VanDerWaalsContact C-N 3.28Å; R323-Q325 PolarHBondContact O-N 2.89Å |
| 324 | E | 90.6 | Very high | 94.4 | Very high | 172 Ų | 172 | 57.6 Ų | 57.6 | 80% | 0.804 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -5.2 | -176.7 | -32.7 | -56.3 | 150.4 | 0 | 0 | 113.6 | Y322 | Y322-E324 PolarHBondContact O-N 2.93Å; Y322-E324 VanDerWaalsContact O-N 3.14Å |
| 325 | Q | 91.1 | Very high | 94.5 | Very high | 77 Ų | 77 | 59 Ų | 59 | 36% | 0.36 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -94 | 146 | -167.8 | -61.6 | -67.7 | -33.9 | 0 | 0 | 112.3 | I321 Y322 R323 A327 | I321-Q325 HydrophobicContact CD1-CB 4.32Å; Y322-Q325 WeakPolarHBondContact O-CB 3.32Å; Y322-Q325 PolarHBondContact O-N 2.92Å; Y322-Q325 VanDerWaalsContact O-N 3.11Å; R323-Q325 VanDerWaalsContact C-N 3.28Å; R323-Q325 PolarHBondContact O-N 2.89Å; Q325-A327 PolarHBondContact O-N 3.29Å |
| 326 | N | 93.2 | Very high | 94.4 | Very high | 92 Ų | 92 | 61.3 Ų | 61.3 | 49% | 0.492 | 30% | 0.295 | S | S | . | . | trans | -76.6 | 108.1 | 176.1 | -173.9 | -18.9 | 0 | 0 | 0 | 110.6 | Q328 E329 V330 | N326-Q328 VanDerWaalsContact C-N 3.25Å; N326-Q328 PolarHBondContact O-N 3.07Å; N326-Q328 WeakPolarHBondContact OD1-CB 3.33Å; N326-Q328 PolarHBondContact OD1-N 3Å; N326-E329 HydrophobicContact CB-CB 3.97Å; N326-E329 PolarHBondContact O-N 3.28Å; N326-E329 VanDerWaalsContact O-N 3.16Å; N326-E329 PolarHBondContact OD1-N 3.22Å; N326-V330 PolarHBondContact O-N 3.47Å; N326-V330 VanDerWaalsContact O-N 3.17Å | ||
| 327 | A | 94.2 | Very high | 94.3 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 35% | 0.347 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.2 | -38.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I321 Q325 E329 V330 L331 I351 | I321-A327 HydrophobicContact CD1-CB 3.94Å; Q325-A327 PolarHBondContact O-N 3.29Å; A327-E329 VanDerWaalsContact C-N 3.34Å; A327-E329 PolarHBondContact O-N 2.98Å; A327-V330 PolarHBondContact O-N 2.72Å; A327-L331 WeakPolarHBondContact O-CB 3.24Å; A327-L331 PolarHBondContact O-N 2.75Å; A327-I351 HydrophobicContact CB-CD1 4.37Å; A327-I351 HydrophobicContact CB-CG2 3.97Å; A327-I351 WeakPolarHBondContact O-CD1 3.35Å |
| 328 | Q | 94 | Very high | 94.2 | Very high | 131 Ų | 131 | 61.3 Ų | 61.3 | 61% | 0.612 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -69.2 | -34.6 | -178.3 | -168.7 | 66.5 | -3.3 | 0 | 0 | 112.3 | N326 L331 L332 | N326-Q328 VanDerWaalsContact C-N 3.25Å; N326-Q328 PolarHBondContact O-N 3.07Å; N326-Q328 WeakPolarHBondContact OD1-CB 3.33Å; N326-Q328 PolarHBondContact OD1-N 3Å; Q328-L331 PolarHBondContact O-N 2.86Å; Q328-L332 WeakPolarHBondContact O-CB 3.42Å; Q328-L332 PolarHBondContact O-N 3.16Å |
| 329 | E | 93.8 | Very high | 94.1 | Very high | 93 Ų | 93 | 65 Ų | 65 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.9 | -42.9 | 176.6 | -169.3 | -174.1 | 158.2 | 0 | 0 | 111.3 | N326 A327 L332 K333 | N326-E329 HydrophobicContact CB-CB 3.97Å; N326-E329 PolarHBondContact O-N 3.28Å; N326-E329 VanDerWaalsContact O-N 3.16Å; N326-E329 PolarHBondContact OD1-N 3.22Å; A327-E329 VanDerWaalsContact C-N 3.34Å; A327-E329 PolarHBondContact O-N 2.98Å; E329-L332 PolarHBondContact O-N 3.21Å; E329-K333 HydrophobicContact CG-CD 4.34Å; E329-K333 WeakPolarHBondContact O-CB 3.36Å; E329-K333 WeakPolarHBondContact O-CG 3.47Å; E329-K333 PolarHBondContact O-N 3.37Å; E329-K333 WeakPolarHBondContact OE1-CE 3.45Å; E329-K333 IonicContact OE1-NZ 3.35Å; E329-K333 PolarHBondContact OE1-NZ 3.03Å |
| 330 | V | 95 | Very high | 93.8 | Very high | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 174.5 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | I294 V297 L319 I321 N326 A327 L332 K333 A334 I351 | I294-V330 HydrophobicContact CG2-CG1 4.29Å; V297-V330 HydrophobicContact CG2-CG1 3.69Å; L319-V330 HydrophobicContact CD1-CG1 4.05Å; I321-V330 HydrophobicContact CG2-CB 4.34Å; I321-V330 HydrophobicContact CG2-CG1 3.89Å; I321-V330 HydrophobicContact CG2-CG2 4.14Å; N326-V330 PolarHBondContact O-N 3.47Å; N326-V330 VanDerWaalsContact O-N 3.17Å; A327-V330 PolarHBondContact O-N 2.72Å; V330-L332 PolarHBondContact O-N 3.05Å; V330-K333 PolarHBondContact O-N 3.17Å; V330-A334 WeakPolarHBondContact O-CB 3.4Å; V330-A334 PolarHBondContact O-N 3.05Å; V330-I351 HydrophobicContact CB-CD1 4.23Å; V330-I351 HydrophobicContact CG1-CD1 4.25Å |
| 331 | L | 95.5 | Very high | 93.7 | Very high | 52 Ų | 52 | 74.6 Ų | 74.6 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58 | -48.3 | 177.7 | -177.9 | 57.9 | 0 | 0 | 0 | 111.8 | A327 Q328 A334 T335 V349 I351 | A327-L331 WeakPolarHBondContact O-CB 3.24Å; A327-L331 PolarHBondContact O-N 2.75Å; Q328-L331 PolarHBondContact O-N 2.86Å; L331-A334 PolarHBondContact O-N 2.82Å; L331-T335 VanDerWaalsContact O-CB 3.24Å; L331-T335 WeakPolarHBondContact O-CB 3.4Å; L331-T335 PolarHBondContact O-N 2.88Å; L331-T335 PolarHBondContact O-OG1 2.92Å; L331-V349 HydrophobicContact CD1-CB 3.61Å; L331-V349 HydrophobicContact CD1-CG1 3.9Å; L331-V349 HydrophobicContact CD1-CG2 4.45Å; L331-I351 HydrophobicContact CB-CD1 3.63Å; L331-I351 HydrophobicContact CD1-CD1 4.38Å |
| 332 | L | 94.6 | Very high | 93.4 | Very high | 82 Ų | 82 | 75.8 Ų | 75.8 | 43% | 0.429 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.9 | -49 | 178.7 | -176.6 | 64.4 | 0 | 0 | 0 | 110.7 | V46 Q328 E329 V330 A334 T335 T336 | V46-L332 HydrophobicContact CG2-CD1 4.3Å; Q328-L332 WeakPolarHBondContact O-CB 3.42Å; Q328-L332 PolarHBondContact O-N 3.16Å; E329-L332 PolarHBondContact O-N 3.21Å; V330-L332 PolarHBondContact O-N 3.05Å; L332-A334 PolarHBondContact O-N 3.02Å; L332-T335 PolarHBondContact O-N 3.28Å; L332-T336 WeakPolarHBondContact O-CB 3.43Å; L332-T336 PolarHBondContact O-N 3.26Å; L332-T336 PolarHBondContact O-OG1 3.16Å |
| 333 | K | 95.4 | Very high | 93.2 | Very high | 81 Ų | 81 | 76.4 Ų | 76.4 | 35% | 0.352 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 178.6 | -76.1 | 171.8 | 173.1 | 169.3 | 0 | 112.4 | I294 E329 V330 L337 | I294-K333 HydrophobicContact CG2-CB 4.04Å; I294-K333 HydrophobicContact CG2-CD 4.16Å; E329-K333 HydrophobicContact CG-CD 4.34Å; E329-K333 WeakPolarHBondContact O-CB 3.36Å; E329-K333 WeakPolarHBondContact O-CG 3.47Å; E329-K333 PolarHBondContact O-N 3.37Å; E329-K333 WeakPolarHBondContact OE1-CE 3.45Å; E329-K333 IonicContact OE1-NZ 3.35Å; E329-K333 PolarHBondContact OE1-NZ 3.03Å; V330-K333 PolarHBondContact O-N 3.17Å; K333-L337 WeakPolarHBondContact O-CB 3.48Å; K333-L337 PolarHBondContact O-N 3.28Å |
| 334 | A | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L291 I294 L319 V330 L331 L332 L337 L338 V349 | L291-A334 HydrophobicContact CD2-CB 3.99Å; I294-A334 HydrophobicContact CD1-CB 3.79Å; L319-A334 HydrophobicContact CD1-CB 3.68Å; V330-A334 WeakPolarHBondContact O-CB 3.4Å; V330-A334 PolarHBondContact O-N 3.05Å; L331-A334 PolarHBondContact O-N 2.82Å; L332-A334 PolarHBondContact O-N 3.02Å; A334-L337 PolarHBondContact O-N 2.82Å; A334-L338 WeakPolarHBondContact O-CG 3.28Å; A334-L338 PolarHBondContact O-N 3.17Å; A334-V349 HydrophobicContact CB-CG1 4.25Å; A334-V349 HydrophobicContact CB-CG2 4.39Å |
| 335 | T | 94.8 | Very high | 93.1 | Very high | 29 Ų | 29 | 63.6 Ų | 63.6 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 179.2 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | L331 L332 L338 R339 | L331-T335 VanDerWaalsContact O-CB 3.24Å; L331-T335 WeakPolarHBondContact O-CB 3.4Å; L331-T335 PolarHBondContact O-N 2.88Å; L331-T335 PolarHBondContact O-OG1 2.92Å; L332-T335 PolarHBondContact O-N 3.28Å; T335-L338 PolarHBondContact O-N 2.9Å; T335-R339 WeakPolarHBondContact O-CB 3.44Å; T335-R339 PolarHBondContact O-N 3.4Å |
| 336 | T | 94.3 | Very high | 93 | Very high | 53 Ų | 53 | 64.2 Ų | 64.2 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.6 | -62.4 | 0 | 0 | 0 | 0 | 111.3 | L332 L338 R339 D340 | L332-T336 WeakPolarHBondContact O-CB 3.43Å; L332-T336 PolarHBondContact O-N 3.26Å; L332-T336 PolarHBondContact O-OG1 3.16Å; T336-L338 PolarHBondContact O-N 3.49Å; T336-R339 PolarHBondContact O-N 3.46Å; T336-D340 VanDerWaalsContact CG2-OD2 3.24Å; T336-D340 WeakPolarHBondContact CG2-OD2 3.35Å; T336-D340 VanDerWaalsContact O-CB 3.29Å; T336-D340 WeakPolarHBondContact O-CB 3.25Å; T336-D340 PolarHBondContact O-N 3.04Å |
| 337 | L | 94.7 | Very high | 93 | Very high | 26 Ų | 26 | 61.8 Ų | 61.8 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.2 | -48 | 177.1 | -177.8 | 153.3 | 0 | 0 | 0 | 112 | K290 L291 I294 K333 A334 Q341 Y342 | K290-L337 HydrophobicContact CB-CD1 4.1Å; K290-L337 HydrophobicContact CB-CD2 4.24Å; L291-L337 HydrophobicContact CD2-CD2 4.37Å; I294-L337 HydrophobicContact CD1-CD1 4.4Å; I294-L337 HydrophobicContact CG1-CD1 4.46Å; K333-L337 WeakPolarHBondContact O-CB 3.48Å; K333-L337 PolarHBondContact O-N 3.28Å; A334-L337 PolarHBondContact O-N 2.82Å; L337-Q341 WeakPolarHBondContact O-CB 3.33Å; L337-Q341 PolarHBondContact O-N 3.49Å; L337-Q341 VanDerWaalsContact O-N 3.07Å; L337-Y342 HydrophobicContact CD2-CD2 4.19Å; L337-Y342 HydrophobicContact CD2-CE2 3.81Å |
| 338 | L | 94.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.9 | -42 | 179 | -71.7 | 173.4 | 0 | 0 | 0 | 111.8 | V287 L291 V315 A334 T335 T336 Y342 H343 V344 C347 V349 | V287-L338 HydrophobicContact CG1-CD2 4.03Å; L291-L338 HydrophobicContact CD2-CG 4.36Å; V315-L338 HydrophobicContact CB-CD1 4.49Å; V315-L338 HydrophobicContact CG1-CD1 4.02Å; V315-L338 HydrophobicContact CG1-CD2 4.3Å; A334-L338 WeakPolarHBondContact O-CG 3.28Å; A334-L338 PolarHBondContact O-N 3.17Å; T335-L338 PolarHBondContact O-N 2.9Å; T336-L338 PolarHBondContact O-N 3.49Å; L338-Y342 HydrophobicContact CD2-CD2 4.4Å; L338-Y342 CarbonylContact O-C 3.57Å; L338-Y342 WeakPolarHBondContact O-CB 3.4Å; L338-Y342 PolarHBondContact O-N 3.08Å; L338-H343 PolarHBondContact O-N 3.12Å; L338-V344 HydrophobicContact CB-CB 4.3Å; L338-V344 HydrophobicContact CB-CG2 4.05Å; L338-V344 WeakPolarHBondContact O-CG2 3.49Å; L338-V344 PolarHBondContact O-N 2.9Å; L338-C347 HydrophobicContact CD1-CB 4.24Å; L338-V349 HydrophobicContact CD1-CG2 4.2Å |
| 339 | R | 92.2 | Very high | 93.2 | Very high | 109 Ų | 109 | 58.8 Ų | 58.8 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70.1 | -46.4 | -179.7 | -172.6 | 174.1 | 179.4 | 142.1 | -7.4 | 112.7 | V46 T335 T336 H343 | V46-R339 PolarHBondContact O-NH1 3.48Å; T335-R339 WeakPolarHBondContact O-CB 3.44Å; T335-R339 PolarHBondContact O-N 3.4Å; T336-R339 PolarHBondContact O-N 3.46Å; R339-H343 VanDerWaalsContact O-CA 3.25Å; R339-H343 WeakPolarHBondContact O-CA 3.24Å; R339-H343 PolarHBondContact O-N 3.25Å |
| 340 | D | 90.9 | Very high | 93.3 | Very high | 101 Ų | 101 | 58.6 Ų | 58.6 | 54% | 0.54 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -80.6 | -39.9 | -170.8 | -69.8 | -10.1 | 0 | 0 | 0 | 112.2 | T336 | T336-D340 VanDerWaalsContact CG2-OD2 3.24Å; T336-D340 WeakPolarHBondContact CG2-OD2 3.35Å; T336-D340 VanDerWaalsContact O-CB 3.29Å; T336-D340 WeakPolarHBondContact O-CB 3.25Å; T336-D340 PolarHBondContact O-N 3.04Å |
| 341 | Q | 91.4 | Very high | 93.3 | Very high | 102 Ų | 102 | 60.5 Ų | 60.5 | 48% | 0.477 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -91.7 | -30.3 | -175.4 | -58.4 | -169.5 | 20.4 | 0 | 0 | 113.6 | K290 L337 | K290-Q341 VanDerWaalsContact CD-OE1 3.25Å; L337-Q341 WeakPolarHBondContact O-CB 3.33Å; L337-Q341 PolarHBondContact O-N 3.49Å; L337-Q341 VanDerWaalsContact O-N 3.07Å |
| 342 | Y | 91 | Very high | 93.3 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 10% | 0.102 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -116.1 | 1.3 | -174.6 | -61 | -81.6 | 0 | 0 | 0 | 113.4 | I282 V287 K290 L337 L338 V344 | I282-Y342 HydrophobicContact CD1-CD1 4.12Å; I282-Y342 HydrophobicContact CG1-CD1 4.23Å; I282-Y342 HydrophobicContact CG2-CD1 4.13Å; I282-Y342 HydrophobicContact CG2-CE1 4.38Å; V287-Y342 HydrophobicContact CG2-CD1 4.01Å; V287-Y342 HydrophobicContact CG2-CD2 4.49Å; V287-Y342 HydrophobicContact CG2-CE1 3.54Å; V287-Y342 HydrophobicContact CG2-CE2 4.09Å; V287-Y342 HydrophobicContact CG2-CG 4.45Å; K290-Y342 HydrophobicContact CD-CE2 4.25Å; K290-Y342 VanDerWaalsContact CD-OH 3.32Å; K290-Y342 WeakPolarHBondContact CD-OH 3.41Å; K290-Y342 WeakPolarHBondContact CE-OH 3.24Å; K290-Y342 PolarHBondContact NZ-OH 3.3Å; L337-Y342 HydrophobicContact CD2-CD2 4.19Å; L337-Y342 HydrophobicContact CD2-CE2 3.81Å; L338-Y342 HydrophobicContact CD2-CD2 4.4Å; L338-Y342 CarbonylContact O-C 3.57Å; L338-Y342 WeakPolarHBondContact O-CB 3.4Å; L338-Y342 PolarHBondContact O-N 3.08Å; Y342-V344 PolarHBondContact O-N 3.24Å; Y342-V344 VanDerWaalsContact O-N 3.16Å |
| 343 | H | 89 | Confident | 93.2 | Very high | 134 Ų | 134 | 61.9 Ų | 61.9 | 62% | 0.62 | 30% | 0.304 | S | S | * | . | trans | 52.8 | 36.2 | 179.4 | -55.6 | -45.7 | 0 | 0 | 0 | 113.2 | L338 R339 F345 | L338-H343 PolarHBondContact O-N 3.12Å; R339-H343 VanDerWaalsContact O-CA 3.25Å; R339-H343 WeakPolarHBondContact O-CA 3.24Å; R339-H343 PolarHBondContact O-N 3.25Å; H343-F345 PolarHBondContact O-N 3.33Å | ||
| 344 | V | 90.5 | Very high | 93 | Very high | 12 Ų | 12 | 60.6 Ų | 60.6 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 126.4 | 178.2 | 177.1 | 0 | 0 | 0 | 0 | 109.3 | I313 V315 L338 Y342 E346 C347 | I313-V344 HydrophobicContact CG2-CG2 4.26Å; V315-V344 HydrophobicContact CB-CG1 4.07Å; V315-V344 HydrophobicContact CB-CG2 4.43Å; V315-V344 HydrophobicContact CG2-CB 4.4Å; V315-V344 HydrophobicContact CG2-CG1 3.87Å; V315-V344 HydrophobicContact CG2-CG2 3.55Å; L338-V344 HydrophobicContact CB-CB 4.3Å; L338-V344 HydrophobicContact CB-CG2 4.05Å; L338-V344 WeakPolarHBondContact O-CG2 3.49Å; L338-V344 PolarHBondContact O-N 2.9Å; Y342-V344 PolarHBondContact O-N 3.24Å; Y342-V344 VanDerWaalsContact O-N 3.16Å; V344-E346 WeakPolarHBondContact CG1-O 3.43Å; V344-C347 HydrophobicContact CG1-CB 3.82Å |
| 345 | F | 88.2 | Confident | 92.6 | Very high | 89 Ų | 89 | 62.8 Ų | 62.8 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -44.3 | -179.8 | 179.2 | -107.3 | 0 | 0 | 0 | 110.9 | L308 K312 I313 H343 | L308-F345 HydrophobicContact CD1-CD1 4.34Å; K312-F345 HydrophobicContact CB-CB 4.16Å; K312-F345 HydrophobicContact CB-CD1 4.1Å; K312-F345 HydrophobicContact CB-CG 4.13Å; K312-F345 HydrophobicContact CD-CD1 3.95Å; K312-F345 HydrophobicContact CD-CD2 4.49Å; K312-F345 HydrophobicContact CD-CE1 3.94Å; K312-F345 HydrophobicContact CD-CE2 4.46Å; K312-F345 HydrophobicContact CD-CG 4.26Å; K312-F345 HydrophobicContact CD-CZ 4.21Å; K312-F345 HydrophobicContact CG-CB 4.31Å; K312-F345 HydrophobicContact CG-CD1 4.01Å; K312-F345 HydrophobicContact CG-CD2 4.2Å; K312-F345 HydrophobicContact CG-CE1 4.47Å; K312-F345 HydrophobicContact CG-CG 3.9Å; I313-F345 WeakPolarHBondContact O-CA 3.44Å; I313-F345 WeakPolarHBondContact O-CB 3.03Å; I313-F345 PolarHBondContact O-N 3.11Å; H343-F345 PolarHBondContact O-N 3.33Å |
| 346 | E | 90.2 | Very high | 92.1 | Very high | 91 Ų | 91 | 69.1 Ų | 69.1 | 43% | 0.425 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.4 | 176.7 | -69.5 | -66.3 | 172.6 | 0 | 0 | 109.8 | I313 A314 V315 V344 | I313-E346 PolarHBondContact O-N 3.14Å; A314-E346 CarbonylContact C-O 3.54Å; A314-E346 VanDerWaalsContact CA-O 3.22Å; A314-E346 WeakPolarHBondContact CA-O 3.48Å; A314-E346 HydrophobicContact CB-CB 4.32Å; V315-E346 PolarHBondContact N-O 3.49Å; V344-E346 WeakPolarHBondContact CG1-O 3.43Å |
| 347 | C | 93.8 | Very high | 91.5 | Very high | 40 Ų | 40 | 73.3 Ų | 73.3 | 27% | 0.27 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135 | 176.3 | 64.3 | 0 | 0 | 0 | 0 | 112.2 | V315 L338 V344 | V315-C347 CarbonylContact O-C 3.54Å; V315-C347 VanDerWaalsContact O-CA 3.26Å; V315-C347 WeakPolarHBondContact O-CA 3.06Å; L338-C347 HydrophobicContact CD1-CB 4.24Å; V344-C347 HydrophobicContact CG1-CB 3.82Å |
| 348 | T | 95 | Very high | 90.9 | Very high | 91 Ų | 91 | 72.9 Ų | 72.9 | 56% | 0.558 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 117 | 169.5 | -57.5 | 0 | 0 | 0 | 0 | 108.4 | V315 S316 V317 | V315-T348 PolarHBondContact O-N 3.34Å; S316-T348 CarbonylContact C-O 3.56Å; S316-T348 VanDerWaalsContact CA-O 3.32Å; S316-T348 WeakPolarHBondContact CA-O 3.36Å; V317-T348 PolarHBondContact N-O 3.42Å |
| 349 | V | 96.5 | Very high | 90 | Very high | 20 Ų | 20 | 79.6 Ų | 79.6 | 12% | 0.121 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 109.1 | 176.9 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | V317 L319 L331 A334 L338 I351 | V317-V349 HydrophobicContact CG1-CB 4.36Å; V317-V349 HydrophobicContact CG1-CG1 4.28Å; V317-V349 HydrophobicContact CG1-CG2 3.92Å; V317-V349 WeakPolarHBondContact O-CA 3.48Å; L319-V349 HydrophobicContact CD1-CG1 3.56Å; L319-V349 HydrophobicContact CG-CG1 3.94Å; L331-V349 HydrophobicContact CD1-CB 3.61Å; L331-V349 HydrophobicContact CD1-CG1 3.9Å; L331-V349 HydrophobicContact CD1-CG2 4.45Å; A334-V349 HydrophobicContact CB-CG1 4.25Å; A334-V349 HydrophobicContact CB-CG2 4.39Å; L338-V349 HydrophobicContact CD1-CG2 4.2Å; V349-I351 HydrophobicContact CG1-CG1 4.24Å |
| 350 | Q | 95.9 | Very high | 89.3 | Confident | 89 Ų | 89 | 77.6 Ų | 77.6 | 42% | 0.416 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 132.5 | 171.5 | -179.9 | 172.8 | -51.9 | 0 | 0 | 109 | V317 H318 L319 E352 | V317-Q350 PolarHBondContact O-N 3.22Å; H318-Q350 CarbonylContact C-O 3.56Å; H318-Q350 WeakPolarHBondContact CA-O 3.32Å; H318-Q350 PolarHBondContact CE1-NE2 2.94Å; H318-Q350 PolarHBondContact CE1-OE1 3.37Å; H318-Q350 PolarHBondContact ND1-NE2 2.78Å; L319-Q350 PolarHBondContact N-O 2.88Å; Q350-E352 PolarHBondContact NE2-OE2 2.95Å |
| 351 | I | 95.9 | Very high | 88.7 | Confident | 43 Ų | 43 | 75 Ų | 75 | 22% | 0.221 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.3 | 177.3 | -61.3 | -177.9 | 0 | 0 | 0 | 109.3 | L319 I321 A327 V330 L331 V349 | L319-I351 WeakPolarHBondContact O-CA 3.33Å; I321-I351 HydrophobicContact CD1-CG2 3.56Å; I321-I351 HydrophobicContact CG1-CG2 3.73Å; I321-I351 HydrophobicContact CG2-CG2 4Å; A327-I351 HydrophobicContact CB-CD1 4.37Å; A327-I351 HydrophobicContact CB-CG2 3.97Å; A327-I351 WeakPolarHBondContact O-CD1 3.35Å; V330-I351 HydrophobicContact CB-CD1 4.23Å; V330-I351 HydrophobicContact CG1-CD1 4.25Å; L331-I351 HydrophobicContact CB-CD1 3.63Å; L331-I351 HydrophobicContact CD1-CD1 4.38Å; V349-I351 HydrophobicContact CG1-CG1 4.24Å |
| 352 | E | 93.7 | Very high | 88 | Confident | 55 Ų | 55 | 77.9 Ų | 77.9 | 26% | 0.257 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 161.5 | 176 | 57.9 | -170.2 | -138.3 | 0 | 0 | 110.8 | H301 H318 L319 A320 I321 Q350 M358 | H301-E352 IonicContact CE1-OE1 3.36Å; H301-E352 PolarHBondContact CE1-OE1 3.01Å; H301-E352 IonicContact NE2-OE1 2.71Å; H301-E352 PolarHBondContact NE2-OE1 2.89Å; H301-E352 VanDerWaalsContact NE2-OE1 3.16Å; H318-E352 IonicContact ND1-OE2 3.91Å; L319-E352 PolarHBondContact O-N 3.35Å; A320-E352 CarbonylContact C-O 3.51Å; A320-E352 VanDerWaalsContact CA-O 3.28Å; A320-E352 WeakPolarHBondContact CA-O 3.34Å; A320-E352 HydrophobicContact CB-CG 4.48Å; I321-E352 WeakPolarHBondContact CG1-O 3.39Å; I321-E352 PolarHBondContact N-O 3.47Å; Q350-E352 PolarHBondContact NE2-OE2 2.95Å; E352-M358 HydrophobicContact CG-CE 4.07Å; E352-M358 WeakPolarHBondContact OE1-CE 3.48Å |
| 353 | H | 94.4 | Very high | 87.2 | Confident | 108 Ų | 108 | 87.8 Ų | 87.8 | 50% | 0.5 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 138.5 | 175.1 | -67.5 | -58.8 | 0 | 0 | 0 | 110.5 | S355 M358 | H353-S355 PolarHBondContact O-N 2.72Å; H353-M358 WeakPolarHBondContact O-CE 3.35Å |
| 354 | F | 90.3 | Very high | 86.6 | Confident | 54 Ų | 54 | 82.3 Ų | 82.3 | 24% | 0.237 | 42% | 0.42 | C | S | . | . | trans | -59.3 | 128.4 | 173.6 | -177.2 | -101.9 | 0 | 0 | 0 | 111.2 | A298 K299 A320 I321 M358 Q359 | A298-F354 HydrophobicContact CB-CB 3.85Å; A298-F354 HydrophobicContact CB-CD2 3.77Å; A298-F354 HydrophobicContact CB-CG 3.81Å; K299-F354 HydrophobicContact CB-CD2 4.38Å; K299-F354 HydrophobicContact CB-CE2 4.39Å; A320-F354 HydrophobicContact CB-CB 4.3Å; A320-F354 HydrophobicContact CB-CD2 4.18Å; I321-F354 PolarHBondContact O-N 3.43Å; F354-M358 HydrophobicContact CD2-SD 4.15Å; F354-M358 HydrophobicContact CE2-CB 4.44Å; F354-Q359 HydrophobicContact CZ-CG 4.04Å | ||
| 355 | S | 87.9 | Confident | 86.1 | Confident | 46 Ų | 46 | 87.2 Ų | 87.2 | 32% | 0.322 | 44% | 0.442 | S | S | . | . | trans | -120.7 | 148.9 | 169.4 | 69.6 | 0 | 0 | 0 | 0 | 110.4 | H353 D357 M358 | H353-S355 PolarHBondContact O-N 2.72Å; S355-D357 PolarHBondContact O-N 2.76Å; S355-M358 WeakPolarHBondContact O-CB 3.08Å; S355-M358 WeakPolarHBondContact O-CG 3.41Å; S355-M358 PolarHBondContact O-N 2.94Å; S355-M358 VanDerWaalsContact O-N 3.12Å | ||
| 356 | E | 83.2 | Confident | 85.7 | Confident | 161 Ų | 161 | 86.9 Ų | 86.9 | 75% | 0.752 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -61.8 | -30 | -178.3 | -66.7 | -176.3 | 173.5 | 0 | 0 | 112.4 | M358 Q359 | E356-M358 PolarHBondContact O-N 3.11Å; E356-M358 VanDerWaalsContact O-N 3.08Å; E356-Q359 WeakPolarHBondContact O-CB 3.42Å; E356-Q359 PolarHBondContact O-N 2.83Å |
| 357 | D | 81.7 | Confident | 85.2 | Confident | 141 Ų | 141 | 87.1 Ų | 87.1 | 75% | 0.754 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -57.1 | -26.4 | 176.7 | -57.8 | -31.2 | 0 | 0 | 0 | 112.9 | S355 Q359 | S355-D357 PolarHBondContact O-N 2.76Å; D357-Q359 PolarHBondContact O-N 2.99Å |
| 358 | M | 82.5 | Confident | 84.5 | Confident | 17 Ų | 17 | 94.5 Ų | 94.5 | 8% | 0.084 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -67.1 | -20.8 | 178.1 | -62.5 | 178.4 | -175.6 | 0 | 0 | 112.9 | K299 A320 E352 H353 F354 S355 E356 G360 | K299-M358 HydrophobicContact CD-CB 4.46Å; K299-M358 PolarHBondContact NZ-O 2.94Å; A320-M358 HydrophobicContact CB-CE 4.34Å; A320-M358 HydrophobicContact CB-SD 3.69Å; E352-M358 HydrophobicContact CG-CE 4.07Å; E352-M358 WeakPolarHBondContact OE1-CE 3.48Å; H353-M358 WeakPolarHBondContact O-CE 3.35Å; F354-M358 HydrophobicContact CD2-SD 4.15Å; F354-M358 HydrophobicContact CE2-CB 4.44Å; S355-M358 WeakPolarHBondContact O-CB 3.08Å; S355-M358 WeakPolarHBondContact O-CG 3.41Å; S355-M358 PolarHBondContact O-N 2.94Å; S355-M358 VanDerWaalsContact O-N 3.12Å; E356-M358 PolarHBondContact O-N 3.11Å; E356-M358 VanDerWaalsContact O-N 3.08Å; M358-G360 VanDerWaalsContact C-N 3.33Å; M358-G360 PolarHBondContact O-N 3.11Å |
| 359 | Q | 76.3 | Confident | 83.2 | Confident | 142 Ų | 142 | 105.5 Ų | 105.5 | 66% | 0.664 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -66.3 | -34.5 | -178.2 | -67.5 | -174.8 | 1.8 | 0 | 0 | 112.4 | F354 E356 D357 | F354-Q359 HydrophobicContact CZ-CG 4.04Å; E356-Q359 WeakPolarHBondContact O-CB 3.42Å; E356-Q359 PolarHBondContact O-N 2.83Å; D357-Q359 PolarHBondContact O-N 2.99Å |
| 360 | G | 76.1 | Confident | 82.5 | Confident | 67 Ų | 67 | 109.8 Ų | 109.8 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -100.2 | 2.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | M358 Q362 | M358-G360 VanDerWaalsContact C-N 3.33Å; M358-G360 PolarHBondContact O-N 3.11Å; G360-Q362 PolarHBondContact O-N 2.83Å |
| 361 | C | 78.4 | Confident | 81.8 | Confident | 46 Ų | 46 | 110.8 Ų | 110.8 | 31% | 0.311 | 54% | 0.543 | S | S | . | . | trans | -77.9 | 110.5 | -175.9 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | R363 C364 | C361-R363 PolarHBondContact O-N 3.38Å; C361-C364 HydrophobicContact CB-CB 4.02Å; C361-C364 WeakPolarHBondContact O-CB 3.28Å; C361-C364 PolarHBondContact O-N 3.5Å | ||
| 362 | Q | 76.7 | Confident | 81.1 | Confident | 164 Ų | 164 | 114.6 Ų | 114.6 | 77% | 0.766 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -60.5 | -27.3 | 176.2 | -66.9 | -179.4 | 1 | 0 | 0 | 113.4 | G360 C364 E365 | G360-Q362 PolarHBondContact O-N 2.83Å; Q362-C364 VanDerWaalsContact C-N 3.27Å; Q362-C364 PolarHBondContact O-N 3.05Å; Q362-E365 PolarHBondContact O-N 3.47Å |
| 363 | R | 75.8 | Confident | 80.3 | Confident | 234 Ų | 234 | 118.1 Ų | 118.1 | 88% | 0.883 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -74.7 | -17.4 | 175.6 | -67.5 | -174.7 | 179.2 | 170.9 | 0.2 | 113.2 | C361 | C361-R363 PolarHBondContact O-N 3.38Š|
| 364 | C | 76.5 | Confident | 79.4 | Confident | 18 Ų | 18 | 118.8 Ų | 118.8 | 12% | 0.122 | 58% | 0.584 | C | S | . | * | G | 310 helix | trans | -91.1 | -5.8 | 176.2 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | H301 C361 Q362 | H301-C364 HydrophobicContact CB-CB 3.85Å; C361-C364 HydrophobicContact CB-CB 4.02Å; C361-C364 WeakPolarHBondContact O-CB 3.28Å; C361-C364 PolarHBondContact O-N 3.5Å; Q362-C364 VanDerWaalsContact C-N 3.27Å; Q362-C364 PolarHBondContact O-N 3.05Å |
| 365 | E | 78.8 | Confident | 78.7 | Confident | 115 Ų | 115 | 123.1 Ų | 123.1 | 54% | 0.537 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -72.5 | 139.6 | 172.7 | -68.1 | -177 | -177.1 | 0 | 0 | 109.9 | Q362 | Q362-E365 PolarHBondContact O-N 3.47Š|
| 366 | P | 79.9 | Confident | 78.1 | Confident | 82 Ų | 82 | 128.6 Ų | 128.6 | 53% | 0.532 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 144.7 | 173.1 | 25.2 | -32.2 | 0 | 0 | 0 | 110.3 | F284 I288 K368 | F284-P366 HydrophobicContact CE1-CB 3.99Å; I288-P366 HydrophobicContact CD1-CB 3.84Å; P366-K368 PolarHBondContact O-N 3.47Å |
| 367 | P | 80.6 | Confident | 77.7 | Confident | 97 Ų | 97 | 126.1 Ų | 126.1 | 63% | 0.63 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 140.1 | 175.7 | 21 | -31.8 | 0 | 0 | 0 | 111.2 | F284 | F284-P367 HydrophobicContact CE1-CG 3.93Å; F284-P367 HydrophobicContact CE2-CG 4.48Å; F284-P367 HydrophobicContact CZ-CG 3.84Å |
| 368 | K | 78.1 | Confident | 77.3 | Confident | 194 Ų | 194 | 124.8 Ų | 124.8 | 84% | 0.843 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 147.5 | 175.7 | -64.1 | -179.7 | -177.6 | 177.1 | 0 | 109.7 | P366 | P366-K368 PolarHBondContact O-N 3.47Š|
| 369 | R | 68.2 | Low | 76.9 | Confident | 322 Ų | 322 | 134.6 Ų | 134.6 | 100% | 1.215 | 65% | 0.654 | S | S | * | * | trans | -64.2 | 0 | -178.4 | -160.2 | -178.8 | -169.6 | -172.7 | 5.7 | 112.9 |
Retrieved 369 of 369 residues in 198.6 ms
(Link to these results)